FGDH_CAEEL Loading...

Isoform e of FYVE, RhoGEF and PH domain-containing protein tag-77

Canonical isoform description: Activates cdc-42, a member of the Ras-like family of Rho- and Rac proteins, by exchanging bound GDP for free GTP (By similarity). May play a role in regulating the actin cytoskeleton and cell shape (By similarity). Required for normal lifespan¹.

AlphaFold DB (X5LV63), UniProt , Accession X5LX76-5 (canonical: X5LX76), Species CAEEL (Caenorhabditis elegans), Gene tag-77, Length 848 aa.

						>FGDH_CAEEL|X5LX76-5|tag-77
MGFVPRMQNGGTGTPSERPISQVSTLSQVSDEFDEGDTSASDEESMNSEKHLRRHRHEDDFDELPLPKNERKTTTVAATHSEIMNEMEHLFVRGGKKNNGVHKQQRRQSNIDEIPSDVGKLRDNRKGRHNSLFVSPTSGMSSSSTDDFSRITSMTSDRSSILTSHSGGEDSTDGASPVPDYETGDEKDDQRLKKLHYAAVEFLKVQNNYVQYLKEMAVLYPEYMERFGKRVGRDLLASHNGHENVVLQIKKIMVQILPIHEMLLKEIDKVCSNWDSRYPNMSKTIGTFADFLKCCQPFLDNKADFLNKLLQLRNEDKEFDEATYMFETEVFKRGKKGAVIQQLDQVHQNFMRYKLLMLRYSEYLIDDCDEKEKAQEAIQKLENVTQAVNQKMGLPTTEELTKLYYRFQCQFNVLEPGRVLIRQSEVMKQTRKELQPRYLVLFTDYLWICRVSSSGQFDINRSYRIPLEYMKFERMEEDERIRCLQIRSRVKSALIIFSSEKERNQWTDDLTKAQYDRKSYKRRQSTAVQRHDENKKKMNKLLMLTPEVPDASDLERPQLIDSRSRSMSCESQDELSSVPVTPLDNGEIDETLGFGEVTRNGSGKKPPSEMIKPVWLPDNISNECLMEGCSTEFNIINRRHHCRDCGWLICKFCKGQAPLSKYDFTKQNVCSECFDRHYKAYKDGVLFPSKNMIVQSDETILVKIGKRNDKEIVDPRKLFKAPVNYGFRHRNVEEKRAQSIVFGRVYLSFRSRKTETVRHALLRRDDLKLVFYKAELDSKSVLELLIYGYFYRETPLDDGWLFELVHRNQIRTDDTKDDVISFRVDNSASAKKWSAAFADKLELDPTRG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	33.5	Very low	218 Å²	218	138.5 Å²	138.5	100%	1.074	80%	0.795	S	S	*	*				0	-142.4	0	-60.1	171.3	176.9	0	0	106.1	F3	M1-F3 CarbonylContact C-O 2.85Å; M1-F3 WeakPolarHBondContact CA-O 3.43Å; M1-F3 WeakPolarHBondContact CB-O 3.26Å; M1-F3 PolarHBondContact N-O 3.04Å
2	G	39.2	Very low	33.1	Very low	83 Å²	83	139 Å²	139	86%	0.856	80%	0.802	S	S	*	*			trans	-124	109.3	135.6	0	0	0	0	0	107.4
3	F	25.4	Very low	32.6	Very low	165 Å²	165	132.2 Å²	132.2	72%	0.724	78%	0.781	S	S	*	*	S	Bend	cis	-9.2	125.2	-10.7	-60.8	-76.8	0	0	0	120.7	M1	M1-F3 CarbonylContact C-O 2.85Å; M1-F3 WeakPolarHBondContact CA-O 3.43Å; M1-F3 WeakPolarHBondContact CB-O 3.26Å; M1-F3 PolarHBondContact N-O 3.04Å
4	V	40.3	Very low	32.5	Very low	117 Å²	117	132.9 Å²	132.9	71%	0.709	79%	0.788	S	S	*	*				42.2	139.9	102	-178.7	0	0	0	0	116.1
5	P	53.9	Low	34.1	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	79%	0.787	S	S	*	*			cis	-141.6	171.7	23.7	18.6	10.2	0	0	0	119.2
6	R	28.8	Very low	33.6	Very low	222 Å²	222	130.1 Å²	130.1	84%	0.838	78%	0.782	S	S	*	*				46.2	117.5	126.5	-159.2	-180	-177.3	170.3	0.8	123.6
7	M	29.9	Very low	33.3	Very low	131 Å²	131	132.1 Å²	132.1	65%	0.645	78%	0.781	S	S	*	*			trans	58.2	142.4	137	-56.8	173.7	88.6	0	0	124
8	Q	32.1	Very low	33	Very low	158 Å²	158	137.7 Å²	137.7	74%	0.738	79%	0.786	S	S	*	*			trans	47.3	124.3	138.1	-69.4	176.3	-23.8	0	0	121
9	N	27.4	Very low	33.9	Very low	170 Å²	170	135.7 Å²	135.7	91%	0.909	78%	0.779	S	S	*	*				-148.8	162	104.6	-111.4	-21.1	0	0	0	111.3
10	G	29.1	Very low	33.7	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	78%	0.778	S	S	*	*			trans	-167.9	-176.7	-178.3	0	0	0	0	0	112.1
11	G	29.9	Very low	33.4	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	78%	0.775	S	S	*	*			trans	79.6	159.8	-168.9	0	0	0	0	0	112.3
12	T	28.7	Very low	33.3	Very low	144 Å²	144	132.7 Å²	132.7	88%	0.883	76%	0.763	S	S	*	*			cis	-131.2	161	-1.9	48.9	0	0	0	0	108.3
13	G	27	Very low	32.9	Very low	51 Å²	51	135.2 Å²	135.2	53%	0.526	76%	0.762	S	S	.	*			cis	94	94.8	38.6	0	0	0	0	0	108.5
14	T	31.7	Very low	32.9	Very low	142 Å²	142	132.2 Å²	132.2	87%	0.871	76%	0.761	S	S	*	*				74.1	170.1	87.1	54.9	0	0	0	0	113.8
15	P	55.8	Low	32.4	Very low	120 Å²	120	132.2 Å²	132.2	78%	0.779	76%	0.762	S	S	*	*			cis	-134.4	-176.5	-40.8	36.1	-18.9	0	0	0	113
16	S	26.5	Very low	31.2	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	77%	0.767	S	S	*	*			trans	174.3	152.4	147.1	-179.4	0	0	0	0	110.2
17	E	27.7	Very low	31.2	Very low	164 Å²	164	129 Å²	129	77%	0.766	76%	0.762	S	S	*	*			cis	-159	129	-42.1	-104.6	152.6	136	0	0	111.1
18	R	29.2	Very low	31.2	Very low	234 Å²	234	131 Å²	131	88%	0.883	77%	0.77	S	S	*	*				31.1	169.2	111.6	-90.8	-175.9	-175.1	-158.9	2.1	122.1
19	P	49.5	Very low	30.9	Very low	100 Å²	100	129.4 Å²	129.4	65%	0.649	77%	0.77	S	S	*	*			cis	-147	-169.7	-13.6	33.7	-9.4	0	0	0	117.5
20	I	29.8	Very low	31	Very low	149 Å²	149	125.5 Å²	125.5	76%	0.764	76%	0.757	S	S	*	*			trans	64	147.3	162.4	0.3	-179.4	0	0	0	116.8
21	S	28.1	Very low	30.8	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	76%	0.758	S	S	*	*			cis	-161.7	169	11.8	76.7	0	0	0	0	110
22	Q	29.8	Very low	30.8	Very low	175 Å²	175	132.7 Å²	132.7	82%	0.818	76%	0.755	S	S	*	*			cis	-151.2	-127.1	-16.3	-126.8	166.4	-85.1	0	0	112.4
23	V	29.6	Very low	30.9	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	75%	0.75	S	S	*	*			trans	-152.7	149	-164.5	170.1	0	0	0	0	112.5
24	S	26.5	Very low	30.9	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	76%	0.761	S	S	*	*			trans	-156.5	112.1	141.6	-157.8	0	0	0	0	114.6
25	T	30.1	Very low	30.9	Very low	117 Å²	117	140.6 Å²	140.6	72%	0.718	76%	0.76	S	S	*	*			trans	49.7	165.5	137.4	57.7	0	0	0	0	124.4
26	L	29	Very low	29.5	Very low	162 Å²	162	138.8 Å²	138.8	85%	0.848	76%	0.763	S	S	*	*				169.7	125.4	-54.3	-122.1	170.5	0	0	0	110.6
27	S	27.1	Very low	29.7	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	76%	0.764	S	S	*	*			trans	161.5	161	146.8	71.4	0	0	0	0	110.7
28	Q	30.3	Very low	29.8	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	77%	0.767	S	S	*	*			cis	-158.1	170.1	-29.6	-114	177.2	-29	0	0	111.1
29	V	27.1	Very low	29.8	Very low	123 Å²	123	132.9 Å²	132.9	75%	0.745	76%	0.76	S	S	*	*			trans	-19.1	160.3	159.5	-77.1	0	0	0	0	120.2
30	S	28.2	Very low	28.8	Very low	89 Å²	89	133.1 Å²	133.1	62%	0.622	77%	0.77	S	S	*	*			cis	-170.3	-160.6	-4.7	43.8	0	0	0	0	111.8
31	D	26.1	Very low	28.7	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	77%	0.77	S	S	*	*			trans	100.5	155.7	152.3	-53.2	-7.2	0	0	0	118.9
32	E	30	Very low	28.7	Very low	157 Å²	157	134.6 Å²	134.6	73%	0.734	78%	0.78	S	S	*	*				-169.8	147.3	-63.1	-120.9	-169.7	-172.6	0	0	110.6
33	F	28.8	Very low	28.7	Very low	178 Å²	178	134.7 Å²	134.7	78%	0.781	78%	0.781	S	S	*	*			trans	57.6	167.8	171.2	-74.3	-91.8	0	0	0	116.3
34	D	27.3	Very low	28.5	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	78%	0.784	S	S	*	*			cis	-140.6	159.4	12.4	-162.9	15.1	0	0	0	112.5
35	E	32.9	Very low	28.4	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	78%	0.784	S	S	*	*			trans	-100.4	133.4	171.9	-76	-163.4	145.4	0	0	111.4
36	G	26.9	Very low	28.2	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	79%	0.791	S	S	*	*			trans	-118.7	72.9	178.8	0	0	0	0	0	112.6
37	D	29.1	Very low	28	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	79%	0.788	S	S	*	*			trans	-79.8	134.4	171.5	-176.3	30.1	0	0	0	111.4
38	T	29.8	Very low	28	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	79%	0.788	S	S	*	*			trans	-139.8	92.7	165.2	57.5	0	0	0	0	109.3
39	S	29	Very low	27.8	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	78%	0.783	S	S	*	*			trans	-77.3	140.4	170.3	40.6	0	0	0	0	111.5
40	A	28.7	Very low	27.9	Very low	105 Å²	105	139.3 Å²	139.3	87%	0.868	78%	0.777	S	S	*	*			trans	-149.3	99.2	165.9	0	0	0	0	0	108.4
41	S	28.8	Very low	27.7	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	79%	0.785	S	S	*	*			trans	-86.3	145.5	173.8	53.5	0	0	0	0	111
42	D	27	Very low	27.6	Very low	172 Å²	172	142.4 Å²	142.4	92%	0.92	78%	0.781	S	S	*	*			trans	-145.7	130	148.3	-93.1	-39.3	0	0	0	108.7
43	E	29.5	Very low	27.4	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	79%	0.786	S	S	*	*			trans	-108.9	141.8	167.4	-65.4	-164.8	148.8	0	0	108.7
44	E	26.4	Very low	27.4	Very low	190 Å²	190	148.4 Å²	148.4	89%	0.888	79%	0.791	S	S	*	*				174.2	154.7	112.5	-92.3	-149.2	127	0	0	113.6
45	S	25.4	Very low	27.3	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	80%	0.797	S	S	*	*			trans	-61.8	150	178.3	109.8	0	0	0	0	114.3
46	M	25.4	Very low	26.9	Very low	177 Å²	177	150.7 Å²	150.7	87%	0.872	79%	0.789	S	S	*	*				-165.3	153.8	115.4	-111.6	-163.3	153.3	0	0	116.5
47	N	25.2	Very low	26.9	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	78%	0.784	S	S	*	*			trans	-42.8	151.6	169.4	-89.1	-45	0	0	0	115.1
48	S	26.4	Very low	26.8	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	77%	0.772	S	S	*	*				-176.9	165	58	30.8	0	0	0	0	114.7
49	E	26.5	Very low	26.8	Very low	151 Å²	151	152.4 Å²	152.4	71%	0.706	77%	0.765	S	S	*	*			trans	11.5	152.3	141.8	-51.8	-149.7	143.8	0	0	121.9
50	K	28.5	Very low	26.6	Very low	144 Å²	144	154.3 Å²	154.3	63%	0.626	77%	0.767	S	S	*	*			cis	-171.8	145.6	-6.3	-111	172.7	-171.9	145.6	0	109.1
51	H	24.6	Very low	26.5	Very low	171 Å²	171	159.3 Å²	159.3	79%	0.792	77%	0.77	S	S	*	*			trans	59.7	170.9	162.8	-73	-62.7	0	0	0	116.1
52	L	24.3	Very low	26.5	Very low	125 Å²	125	161.8 Å²	161.8	65%	0.654	78%	0.775	S	S	*	*			cis	-152	154.4	14.8	-162.2	82.4	0	0	0	111.7
53	R	25.7	Very low	26.5	Very low	226 Å²	226	162.7 Å²	162.7	85%	0.853	77%	0.774	S	S	*	*			trans	54.7	136.1	154.1	-87.1	174	-168.7	169.9	3.2	122.7
54	R	27.5	Very low	26.3	Very low	235 Å²	235	162 Å²	162	89%	0.887	78%	0.775	S	S	*	*			trans	-62.5	155.1	154.8	-57.2	165	171.3	158.9	-5.9	111.3
55	H	25.5	Very low	26.5	Very low	192 Å²	192	158.2 Å²	158.2	89%	0.889	77%	0.766	S	S	*	*				-151.7	176.3	126.2	-122.4	-88.4	0	0	0	111.6
56	R	24.9	Very low	26.6	Very low	182 Å²	182	161.1 Å²	161.1	69%	0.687	77%	0.773	S	S	*	*			trans	-142.4	139.7	-172.6	179.5	-135.1	-77.5	-164.1	-6.3	109.4	E58	R56-E58 WeakPolarHBondContact CD-OE1 3.23Å; R56-E58 IonicContact CZ-OE1 3.27Å; R56-E58 IonicContact NE-OE1 2.72Å; R56-E58 IonicContact NH1-OE1 3.89Å; R56-E58 PolarHBondContact NH1-OE1 3.17Å
57	H	26.6	Very low	26.9	Very low	155 Å²	155	158.5 Å²	158.5	72%	0.718	77%	0.77	S	S	*	*			trans	-164.8	143.9	140	-87.5	-67.9	0	0	0	105
58	E	27	Very low	26.9	Very low	101 Å²	101	160.6 Å²	160.6	47%	0.472	77%	0.771	S	S	.	*			cis	78.8	132.8	45.8	-66.1	164.9	-161	0	0	112.3	R56	R56-E58 WeakPolarHBondContact CD-OE1 3.23Å; R56-E58 IonicContact CZ-OE1 3.27Å; R56-E58 IonicContact NE-OE1 2.72Å; R56-E58 IonicContact NH1-OE1 3.89Å; R56-E58 PolarHBondContact NH1-OE1 3.17Å
59	D	29.3	Very low	26.9	Very low	131 Å²	131	161.8 Å²	161.8	70%	0.701	77%	0.77	S	S	*	*			cis	-106.5	-118.5	-8.3	-78	-59.5	0	0	0	112.4
60	D	25.9	Very low	26.7	Very low	144 Å²	144	161.5 Å²	161.5	77%	0.77	77%	0.769	S	S	*	*			cis	-148.8	133.5	2.1	-67.5	-99.2	0	0	0	109.2
61	F	26	Very low	26.6	Very low	210 Å²	210	165.8 Å²	165.8	92%	0.921	78%	0.781	S	S	*	*			trans	-159.3	132.8	157.9	-140.7	-85.7	0	0	0	110.9
62	D	28.5	Very low	26.6	Very low	161 Å²	161	166.8 Å²	166.8	86%	0.861	78%	0.783	S	S	*	*			trans	-75.1	142.1	-169.3	-62.3	-81.8	0	0	0	115.5
63	E	26.3	Very low	26.6	Very low	192 Å²	192	166.9 Å²	166.9	90%	0.897	79%	0.789	S	S	*	*			trans	-150.2	126.3	157	-172.9	176.2	-126.9	0	0	111.2
64	L	25.8	Very low	26.5	Very low	163 Å²	163	163.1 Å²	163.1	85%	0.853	79%	0.791	S	S	*	*			trans	162.6	164.9	158.6	-93	173.6	0	0	0	108.2
65	P	32	Very low	26.3	Very low	110 Å²	110	158.3 Å²	158.3	71%	0.714	79%	0.788	S	S	*	*			cis	-124.5	165.2	0.2	39.9	-25.8	0	0	0	115.8
66	L	26.5	Very low	26.2	Very low	162 Å²	162	156.3 Å²	156.3	85%	0.848	79%	0.789	S	S	*	*			trans	-115.4	137.8	155.7	-77.6	173.2	0	0	0	110.1
67	P	31.1	Very low	26.1	Very low	123 Å²	123	152 Å²	152	80%	0.799	79%	0.792	S	S	*	*			trans	-82.6	156.7	-177.5	33.2	-35.2	0	0	0	113.4
68	K	25.5	Very low	25.9	Very low	190 Å²	190	148.8 Å²	148.8	83%	0.826	79%	0.792	S	S	*	*			trans	-100.6	152.4	169.5	-56.6	167.6	-176.8	168.3	0	109
69	N	26.2	Very low	25.8	Very low	129 Å²	129	150.1 Å²	150.1	69%	0.69	81%	0.807	S	S	*	*				-172.9	160.9	106.3	-112.7	18	0	0	0	116.9
70	E	23.8	Very low	25.6	Very low	146 Å²	146	151.5 Å²	151.5	68%	0.682	81%	0.809	S	S	*	*			trans	69.7	124.5	147.4	-77.6	164	-116.9	0	0	122.7
71	R	26.1	Very low	25.5	Very low	234 Å²	234	148.7 Å²	148.7	88%	0.883	80%	0.801	S	S	*	*			trans	-81.4	149.3	153.4	-64.9	168.8	167.2	166.6	-6.5	109.3
72	K	24.6	Very low	25.4	Very low	192 Å²	192	145.7 Å²	145.7	84%	0.835	79%	0.79	S	S	*	*			trans	-128.7	139.1	145.1	-75.5	-174.9	178.9	170.9	0	110.2
73	T	24.2	Very low	25.3	Very low	127 Å²	127	145.7 Å²	145.7	78%	0.779	79%	0.789	S	S	*	*			trans	-108.6	136	177.6	46.1	0	0	0	0	109.5
74	T	23.3	Very low	25.2	Very low	147 Å²	147	143.8 Å²	143.8	90%	0.902	78%	0.781	S	S	*	*			trans	-136	115.5	166	9.3	0	0	0	0	109.5
75	T	23.7	Very low	25.3	Very low	134 Å²	134	141.5 Å²	141.5	82%	0.822	77%	0.77	S	S	*	*			trans	-96.5	133.4	174.3	47.4	0	0	0	0	110.3
76	V	23.1	Very low	25	Very low	149 Å²	149	142.7 Å²	142.7	90%	0.903	77%	0.766	S	S	*	*			trans	-136	146.1	151.3	-171.7	0	0	0	0	107.1
77	A	22.1	Very low	24.9	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	76%	0.758	S	S	*	*			trans	-116.8	-156.6	-178.6	0	0	0	0	0	110.4
78	A	23.6	Very low	24.8	Very low	88 Å²	88	142.6 Å²	142.6	73%	0.727	75%	0.752	S	S	*	*			trans	77.4	146.6	-175.1	0	0	0	0	0	115.3
79	T	25.2	Very low	25.1	Very low	129 Å²	129	140.2 Å²	140.2	79%	0.791	74%	0.744	S	S	*	*			cis	167.4	149.8	-48.6	37.2	0	0	0	0	108.6
80	H	23.5	Very low	25.1	Very low	160 Å²	160	139.9 Å²	139.9	74%	0.741	74%	0.741	S	S	*	*			trans	93.5	142.9	147.2	-122.7	-80.2	0	0	0	121.5	E82	H80-E82 IonicContact CE1-OE2 3.17Å; H80-E82 IonicContact ND1-OE2 3.49Å
81	S	23.8	Very low	25.2	Very low	86 Å²	86	140.9 Å²	140.9	60%	0.601	74%	0.744	S	S	*	*			trans	57.2	127.4	169.3	-61.4	0	0	0	0	118.8
82	E	25.3	Very low	25.4	Very low	147 Å²	147	134.4 Å²	134.4	69%	0.687	73%	0.73	S	S	*	*			cis	81.8	120.1	40.7	-62	159.2	126.4	0	0	114.2	H80	H80-E82 IonicContact CE1-OE2 3.17Å; H80-E82 IonicContact ND1-OE2 3.49Å
83	I	25.5	Very low	25.5	Very low	161 Å²	161	136.3 Å²	136.3	83%	0.826	73%	0.732	S	S	*	*			trans	-173.3	102.4	145.9	-94.6	149.1	0	0	0	103.2
84	M	24.4	Very low	25.5	Very low	152 Å²	152	134 Å²	134	75%	0.749	73%	0.734	S	S	*	*				70.3	136.3	78.7	-67.8	-78.4	-73.2	0	0	113.3
85	N	27.2	Very low	25.6	Very low	114 Å²	114	130.8 Å²	130.8	61%	0.61	73%	0.729	S	S	*	*			cis	-167.2	176.5	-25	-149.7	17.9	0	0	0	109.4
86	E	26.8	Very low	25.7	Very low	136 Å²	136	133.9 Å²	133.9	64%	0.636	73%	0.731	S	S	*	*			trans	67.5	157.4	151	-75	158.1	-153.1	0	0	118.7
87	M	25.1	Very low	25.9	Very low	137 Å²	137	136.2 Å²	136.2	68%	0.675	73%	0.729	S	S	*	*			cis	-151	131.6	0.3	-121	167.4	-175.5	0	0	107.7
88	E	27.7	Very low	26	Very low	146 Å²	146	138.3 Å²	138.3	68%	0.682	73%	0.728	S	S	*	*				83.6	147.2	89.7	-86.8	-161.8	-167.6	0	0	116.9
89	H	31.1	Very low	26.1	Very low	140 Å²	140	141 Å²	141	65%	0.648	73%	0.73	S	S	*	*			cis	-165.3	-175.9	-6.8	-143.9	-0.6	0	0	0	114.4
90	L	27.4	Very low	26.1	Very low	121 Å²	121	138 Å²	138	63%	0.634	73%	0.725	S	S	*	*			trans	82.8	139.8	161	-45.1	-165.9	0	0	0	119.6
91	F	25.8	Very low	26.1	Very low	167 Å²	167	136.6 Å²	136.6	73%	0.732	73%	0.727	S	S	*	*			cis	-164.1	158.9	-10.6	-122	-26.5	0	0	0	114.3
92	V	29.8	Very low	26.2	Very low	99 Å²	99	140.4 Å²	140.4	60%	0.6	74%	0.735	S	S	*	*			trans	65.3	130.3	149.3	162.1	0	0	0	0	118.6
93	R	27.9	Very low	26.2	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	73%	0.733	S	S	*	*			cis	-161.2	172.4	-7.4	-93.5	168.4	-166.4	149.7	2.2	106.5
94	G	24.3	Very low	26.2	Very low	79 Å²	79	140 Å²	140	81%	0.814	73%	0.727	S	S	*	*			cis	114.2	118.9	3.5	0	0	0	0	0	113.3
95	G	24.3	Very low	26.3	Very low	78 Å²	78	140 Å²	140	80%	0.804	73%	0.725	S	S	*	*			cis	160.9	-171.9	3.1	0	0	0	0	0	115.6
96	K	27	Very low	26.2	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	74%	0.735	S	S	*	*			trans	60.5	119.8	161.3	-66.1	-174	177.4	-179.1	0	123.2
97	K	26.8	Very low	26	Very low	199 Å²	199	148.9 Å²	148.9	87%	0.865	75%	0.745	S	S	*	*				176.2	128.2	119.2	-93.1	163.9	-177	179.9	0	108.4
98	N	24.9	Very low	26.1	Very low	135 Å²	135	150 Å²	150	72%	0.722	75%	0.748	S	S	*	*				61.1	121.2	56.6	-72.3	73.8	0	0	0	112.9
99	N	24.6	Very low	26	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	75%	0.746	S	S	*	*			cis	-145.8	176.4	5.3	-74.2	-22	0	0	0	109.1
100	G	24.5	Very low	25.6	Very low	66 Å²	66	147.9 Å²	147.9	68%	0.68	75%	0.753	S	S	*	*			cis	140	157.7	-7.6	0	0	0	0	0	114.8
101	V	24.3	Very low	25.5	Very low	129 Å²	129	149.6 Å²	149.6	78%	0.782	76%	0.761	S	S	*	*			trans	84.4	114.5	158	-177	0	0	0	0	121.2
102	H	26.4	Very low	25.7	Very low	167 Å²	167	148.3 Å²	148.3	77%	0.773	76%	0.762	S	S	*	*			trans	64.7	158.9	150	-76.1	-11.4	0	0	0	121.6
103	K	25.4	Very low	25.4	Very low	147 Å²	147	152.8 Å²	152.8	64%	0.639	78%	0.777	S	S	*	*			cis	-177.6	131.8	-21.5	172.2	-178.1	-177.1	-176.7	0	110.9
104	Q	24.4	Very low	25.5	Very low	153 Å²	153	149.6 Å²	149.6	72%	0.715	78%	0.775	S	S	*	*			trans	63.5	163.1	168.2	-70.1	166.5	-36.8	0	0	115
105	Q	26.4	Very low	25.8	Very low	151 Å²	151	151.3 Å²	151.3	71%	0.706	77%	0.772	S	S	*	*			cis	-155.7	178.2	7.9	-138.1	173.6	57.2	0	0	111.6
106	R	24.5	Very low	25.9	Very low	217 Å²	217	152.7 Å²	152.7	82%	0.819	77%	0.77	S	S	*	*			trans	9.9	123.8	159.2	-79.5	174.2	156	166.3	-9.4	120.1
107	R	24.6	Very low	26	Very low	220 Å²	220	150.6 Å²	150.6	83%	0.83	77%	0.768	S	S	*	*				82.1	118.3	72.8	-101.5	-155.1	175.9	-171.5	-1	116.4
108	Q	25.7	Very low	25.9	Very low	159 Å²	159	146.2 Å²	146.2	74%	0.743	76%	0.758	S	S	*	*			trans	59.2	153.6	160.5	-91.2	75.6	26.8	0	0	117.6
109	S	27	Very low	25.9	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	76%	0.762	S	S	*	*			cis	-166.1	159.7	-6.3	43.3	0	0	0	0	110.3
110	N	22.6	Very low	26.1	Very low	151 Å²	151	145.4 Å²	145.4	81%	0.807	76%	0.763	S	S	*	*			trans	30.6	136.1	151.6	-49.6	6.9	0	0	0	119.2
111	I	24.8	Very low	26.2	Very low	157 Å²	157	150.8 Å²	150.8	81%	0.805	78%	0.775	S	S	*	*				-164.6	-179.1	58	-150.7	158.3	0	0	0	112.2
112	D	30.2	Very low	26.2	Very low	140 Å²	140	154.2 Å²	154.2	75%	0.749	77%	0.774	S	S	*	*			trans	-72.8	158.3	-176	-45.9	-98.5	0	0	0	115.9
113	E	22.8	Very low	26.2	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	77%	0.769	S	S	*	*			trans	-165.7	161.9	133.1	-115.5	172.5	-161.7	0	0	114
114	I	29.8	Very low	26.3	Very low	164 Å²	164	150 Å²	150	84%	0.841	76%	0.764	S	S	*	*			trans	-132.3	124.4	-175.8	-62.5	166	0	0	0	109.6
115	P	31.6	Very low	26.4	Very low	116 Å²	116	152.2 Å²	152.2	75%	0.753	77%	0.766	S	S	*	*				-149.6	176.4	128	32.3	-12	0	0	0	113
116	S	25.3	Very low	26.5	Very low	107 Å²	107	154.4 Å²	154.4	75%	0.748	77%	0.773	S	S	*	*			cis	-162.3	131.5	-3.7	31.3	0	0	0	0	112.1
117	D	28.6	Very low	26.4	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	77%	0.773	S	S	*	*				57.6	158.3	116.5	-151.2	17	0	0	0	124.4
118	V	25	Very low	26.5	Very low	107 Å²	107	148 Å²	148	65%	0.648	77%	0.773	S	S	*	*			trans	71	116.2	163.8	-157.7	0	0	0	0	119.7
119	G	26.5	Very low	26.5	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	77%	0.767	S	S	*	*			trans	-160	4.6	172.7	0	0	0	0	0	119.6
120	K	27.5	Very low	26.4	Very low	184 Å²	184	148.7 Å²	148.7	80%	0.8	77%	0.771	S	S	*	*			trans	13	121.9	170.1	-60.9	172.5	-175.6	168.8	0	120.1
121	L	26.4	Very low	26.5	Very low	178 Å²	178	146.3 Å²	146.3	93%	0.932	77%	0.766	S	S	*	*				-159.4	172.5	120.8	-109.7	168.5	0	0	0	111.5
122	R	25.7	Very low	26.4	Very low	201 Å²	201	146.2 Å²	146.2	76%	0.758	77%	0.767	S	S	*	*			trans	-155.7	133.2	-154.6	156.3	-172.7	166.6	177.6	0.8	111.7
123	D	25.8	Very low	26.1	Very low	126 Å²	126	148.8 Å²	148.8	67%	0.674	77%	0.771	S	S	*	*				-170.7	132.2	116.8	-110	-26.5	0	0	0	118.4
124	N	26.2	Very low	26.1	Very low	99 Å²	99	145.4 Å²	145.4	53%	0.529	76%	0.764	S	S	.	*			trans	35.9	121.6	135.3	-85.7	-64.5	0	0	0	124.6
125	R	27.7	Very low	25.9	Very low	200 Å²	200	142.7 Å²	142.7	76%	0.755	76%	0.759	S	S	*	*				111.9	120.3	113.6	-83.8	167	-173.2	-160.7	-4.7	122.8
126	K	27.8	Very low	25.8	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	75%	0.754	S	S	*	*			trans	72.8	136.7	143	-63.9	176.9	176.5	-175.4	0	118.6
127	G	23.9	Very low	25.8	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	76%	0.759	S	S	*	*			trans	-172.3	-14.6	177.6	0	0	0	0	0	121.7
128	R	26.1	Very low	25.9	Very low	223 Å²	223	141.9 Å²	141.9	84%	0.842	76%	0.761	S	S	*	*			trans	39.6	131.5	162.2	-116.2	-179.1	176.4	-167.8	-1.5	122.2
129	H	25.8	Very low	25.8	Very low	130 Å²	130	140.6 Å²	140.6	60%	0.602	77%	0.769	S	S	*	*			trans	94.3	116.5	146.1	-73.4	-56.2	0	0	0	123.8
130	N	24.3	Very low	25.9	Very low	135 Å²	135	145.8 Å²	145.8	72%	0.722	77%	0.774	S	S	*	*				59	116.5	125.5	-62.8	24.3	0	0	0	122.9
131	S	23.9	Very low	25.8	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	78%	0.775	S	S	*	*				52.3	127.8	113	-158.4	0	0	0	0	120.6
132	L	24.3	Very low	25.7	Very low	156 Å²	156	140 Å²	140	82%	0.817	77%	0.772	S	S	*	*				-169.9	149.4	102	-98.4	167.8	0	0	0	112.9
133	F	23	Very low	26.2	Very low	193 Å²	193	136.3 Å²	136.3	85%	0.846	78%	0.777	S	S	*	*			trans	-80.7	137.4	159.9	-99.3	-99.4	0	0	0	109
134	V	23.6	Very low	26.4	Very low	123 Å²	123	134.8 Å²	134.8	75%	0.745	78%	0.776	S	S	*	*			trans	-140.7	119.7	156.3	-177.2	0	0	0	0	109.2
135	S	25.2	Very low	26.6	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	79%	0.786	S	S	*	*			trans	-111.1	141.7	159.1	-54.8	0	0	0	0	108
136	P	30.1	Very low	26.7	Very low	98 Å²	98	131.2 Å²	131.2	64%	0.636	78%	0.776	S	S	*	*			trans	-138	122.2	152.9	33.1	-16.4	0	0	0	114.1
137	T	23.7	Very low	26.8	Very low	139 Å²	139	127.3 Å²	127.3	85%	0.853	77%	0.765	S	S	*	*			trans	57.2	149.3	135.7	57.5	0	0	0	0	122.6
138	S	31.7	Very low	27.1	Very low	125 Å²	125	128.8 Å²	128.8	87%	0.874	75%	0.749	S	S	*	*			trans	-70	142	178.1	50.9	0	0	0	0	115.3
139	G	22.3	Very low	27.4	Very low	79 Å²	79	121.8 Å²	121.8	81%	0.814	74%	0.735	S	S	*	*			trans	-155.9	143.1	159.8	0	0	0	0	0	109.8
140	M	28.2	Very low	27.7	Very low	188 Å²	188	124.9 Å²	124.9	93%	0.926	74%	0.741	S	S	*	*			trans	-95.1	160.5	179	-73	-175.8	70.5	0	0	112.2
141	S	26.1	Very low	28.3	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	73%	0.728	S	S	*	*			trans	67	104.4	169.3	66.1	0	0	0	0	118.5
142	S	24.5	Very low	28.8	Very low	123 Å²	123	122.6 Å²	122.6	86%	0.86	72%	0.723	S	S	*	*				-163.1	158.2	122	36.4	0	0	0	0	109
143	S	36.8	Very low	29.1	Very low	124 Å²	124	119.5 Å²	119.5	87%	0.867	72%	0.715	S	S	*	*			trans	-82.7	132.7	-177.4	51.9	0	0	0	0	112
144	S	28.7	Very low	29.7	Very low	93 Å²	93	117 Å²	117	65%	0.65	71%	0.707	S	S	*	*			trans	-134.3	128.9	164.9	55.8	0	0	0	0	111	D146	S144-D146 VanDerWaalsContact C-N 3.33Å
145	T	31.6	Very low	30.2	Very low	123 Å²	123	115 Å²	115	76%	0.755	70%	0.696	S	S	*	*			trans	-88.2	-3.1	176.5	37.8	0	0	0	0	113.1
146	D	29.2	Very low	30.4	Very low	102 Å²	102	113.9 Å²	113.9	55%	0.545	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-3.4	-152	-55.6	-13	0	0	0	114.3	S144 S149	S144-D146 VanDerWaalsContact C-N 3.33Å; D146-S149 PolarHBondContact O-OG 3.23Å; D146-S149 VanDerWaalsContact O-OG 3.12Å
147	D	29.1	Very low	30.4	Very low	115 Å²	115	115.2 Å²	115.2	62%	0.615	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-26.6	174.9	-107.4	-6.4	0	0	0	112.4
148	F	30.6	Very low	30.9	Very low	109 Å²	109	119.5 Å²	119.5	48%	0.478	69%	0.69	S	S	.	*	H	α-helix	trans	-71.2	-35.7	-179.5	-93.7	-84	0	0	0	113.1	R150 I151 Y405	F148-R150 VanDerWaalsContact C-N 3.27Å; F148-R150 PolarHBondContact O-N 2.87Å; F148-I151 PolarHBondContact O-N 3.42Å; F148-Y405 HydrophobicContact CE1-CE2 4.03Å
149	S	32.6	Very low	31.1	Very low	77 Å²	77	117.3 Å²	117.3	54%	0.538	68%	0.675	S	S	.	*	H	α-helix	trans	-70.4	-20.8	-177.9	58.1	0	0	0	0	113.7	D146 T152	D146-S149 PolarHBondContact O-OG 3.23Å; D146-S149 VanDerWaalsContact O-OG 3.12Å; S149-T152 PolarHBondContact O-OG1 3.34Å
150	R	33	Very low	31.5	Very low	194 Å²	194	118.3 Å²	118.3	73%	0.732	67%	0.669	S	S	*	*	H	α-helix	trans	-79.6	-23.7	175.1	-67.1	-177.8	175.9	-176.9	-0.1	113.2	F148	F148-R150 VanDerWaalsContact C-N 3.27Å; F148-R150 PolarHBondContact O-N 2.87Å
151	I	36.3	Very low	31.5	Very low	88 Å²	88	114.8 Å²	114.8	45%	0.451	65%	0.653	S	S	.	*	H	α-helix	trans	-78.1	-33.3	-177	-63.3	171.7	0	0	0	111.2	F148	F148-I151 PolarHBondContact O-N 3.42Å
152	T	34.5	Very low	31.7	Very low	100 Å²	100	116 Å²	116	61%	0.613	65%	0.65	S	S	*	*	H	α-helix	trans	-75.1	-22.1	-179.2	46.9	0	0	0	0	114.4	S149 M154	S149-T152 PolarHBondContact O-OG1 3.34Å; T152-M154 VanDerWaalsContact C-N 3.3Å; T152-M154 PolarHBondContact O-N 3.45Å
153	S	31	Very low	32	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-8	-168.2	-167.1	0	0	0	0	115.8
154	M	35.8	Very low	31.4	Very low	140 Å²	140	114.8 Å²	114.8	69%	0.69	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	13.9	-162.4	-67.2	-100.8	73.2	0	0	115.4	T152 S156	T152-M154 VanDerWaalsContact C-N 3.3Å; T152-M154 PolarHBondContact O-N 3.45Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.78Å
155	T	33.6	Very low	31.4	Very low	83 Å²	83	118.5 Å²	118.5	51%	0.509	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	2.4	-175.5	54.5	0	0	0	0	115	D157	T155-D157 PolarHBondContact O-N 2.72Å
156	S	29.8	Very low	31.2	Very low	82 Å²	82	118.1 Å²	118.1	57%	0.573	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-26.7	-174.4	49.9	0	0	0	0	115.2	M154	M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.78Å
157	D	29	Very low	31.1	Very low	126 Å²	126	117.4 Å²	117.4	67%	0.674	66%	0.662	S	S	*	*	S	Bend	trans	-116.3	86.5	-173.6	-77.3	-28.4	0	0	0	113.3	T155	T155-D157 PolarHBondContact O-N 2.72Å
158	R	35.4	Very low	30.9	Very low	229 Å²	229	115.5 Å²	115.5	86%	0.864	67%	0.67	S	S	*	*				167	110	121.6	-90.5	159.3	173.7	165	1.2	113.6
159	S	35.6	Very low	30.9	Very low	79 Å²	79	120.5 Å²	120.5	55%	0.552	70%	0.695	S	S	*	*			trans	-82.3	113.7	156.5	36.9	0	0	0	0	110
160	S	30.3	Very low	30.6	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	70%	0.698	S	S	*	*			trans	174.2	156.3	154.2	34.3	0	0	0	0	110.7
161	I	27.8	Very low	30.5	Very low	114 Å²	114	117.6 Å²	117.6	59%	0.585	70%	0.696	S	S	*	*			trans	66.6	76	179.3	-42.7	175	0	0	0	113.8
162	L	31.1	Very low	30.4	Very low	145 Å²	145	119.6 Å²	119.6	76%	0.759	71%	0.713	S	S	*	*			trans	-111.1	113.4	143.6	-83.3	172.8	0	0	0	108.9
163	T	30.1	Very low	30.5	Very low	99 Å²	99	122 Å²	122	61%	0.607	72%	0.722	S	S	*	*			trans	31.5	92.1	159.4	54	0	0	0	0	118.7	H165	T163-H165 VanDerWaalsContact C-N 3.33Å; T163-H165 PolarHBondContact O-N 3.15Å
164	S	24.2	Very low	30.7	Very low	121 Å²	121	121.7 Å²	121.7	85%	0.846	73%	0.732	S	S	*	*			trans	-71.3	86.1	152.2	56.9	0	0	0	0	110.2	S166	S164-S166 PolarHBondContact O-N 3.19Å
165	H	28	Very low	31.2	Very low	172 Å²	172	118.8 Å²	118.8	80%	0.796	73%	0.731	S	S	*	*			trans	-85.8	93.3	170.2	-89	-65.7	0	0	0	110.4	T163	T163-H165 VanDerWaalsContact C-N 3.33Å; T163-H165 PolarHBondContact O-N 3.15Å
166	S	29.3	Very low	32.1	Very low	115 Å²	115	119.3 Å²	119.3	80%	0.804	74%	0.738	S	S	*	*			trans	-96.5	119.2	172	56.4	0	0	0	0	111	S164	S164-S166 PolarHBondContact O-N 3.19Å
167	G	26.7	Very low	33.9	Very low	86 Å²	86	121.2 Å²	121.2	89%	0.887	75%	0.748	S	S	*	*	S	Bend	trans	94.3	104.9	173.2	0	0	0	0	0	114.1
168	G	23.5	Very low	36.1	Very low	76 Å²	76	117.2 Å²	117.2	78%	0.784	73%	0.729	S	S	*	*			trans	146.5	87.2	176.6	0	0	0	0	0	112.4	D170	G168-D170 PolarHBondContact O-N 2.84Å; G168-D170 VanDerWaalsContact O-N 3.14Å
169	E	31.8	Very low	38.1	Very low	213 Å²	213	109 Å²	109	100%	0.995	71%	0.705	S	S	*	*			trans	-76.4	90.9	169.7	-65.3	175.5	154.5	0	0	109.1
170	D	26.4	Very low	40	Very low	112 Å²	112	110 Å²	110	60%	0.599	70%	0.704	S	S	*	*			trans	-120.1	110	167.8	-158.3	0.9	0	0	0	105.3	G168 T172 K335	G168-D170 PolarHBondContact O-N 2.84Å; G168-D170 VanDerWaalsContact O-N 3.14Å; D170-T172 PolarHBondContact O-N 3.26Å; D170-K335 IonicContact OD2-NZ 3.24Å; D170-K335 PolarHBondContact OD2-NZ 2.77Å
171	S	30.1	Very low	42.3	Very low	98 Å²	98	105.7 Å²	105.7	69%	0.685	67%	0.672	S	S	*	*			trans	-66.6	118	-160.2	50.4	0	0	0	0	113.4	D173	S171-D173 PolarHBondContact O-N 3.44Å; S171-D173 VanDerWaalsContact O-N 3.16Å
172	T	34.4	Very low	44.7	Very low	131 Å²	131	108.3 Å²	108.3	80%	0.804	68%	0.682	S	S	*	*			trans	-86.3	80.9	179.7	54.8	0	0	0	0	112.2	D170	D170-T172 PolarHBondContact O-N 3.26Å
173	D	35.8	Very low	46.9	Very low	150 Å²	150	104.4 Å²	104.4	80%	0.802	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	138	171.8	-69.8	-44.3	0	0	0	112.4	S171	S171-D173 PolarHBondContact O-N 3.44Å; S171-D173 VanDerWaalsContact O-N 3.16Å
174	G	37	Very low	49.1	Very low	84 Å²	84	103.6 Å²	103.6	87%	0.866	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.7	3.1	156.8	0	0	0	0	0	118.7
175	A	45.8	Very low	51.9	Low	79 Å²	79	101.7 Å²	101.7	65%	0.653	66%	0.656	S	S	*	*			trans	-91.7	111.1	171.6	0	0	0	0	0	111
176	S	52.6	Low	54.6	Low	94 Å²	94	101.2 Å²	101.2	66%	0.657	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56	141.3	168.2	-59.7	0	0	0	0	110.4	V178	S176-V178 PolarHBondContact O-N 3.17Å
177	P	67.4	Low	57.2	Low	123 Å²	123	102.3 Å²	102.3	80%	0.799	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-54.9	127.7	172.5	-24.4	34.2	0	0	0	110.1	P179	P177-P179 WeakPolarHBondContact O-CD 3.35Å
178	V	75	Confident	60	Low	42 Å²	42	100.5 Å²	100.5	26%	0.255	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-62	122.4	176.5	-178.4	0	0	0	0	107.6	S176 Y181 K193 H196 Y197	S176-V178 PolarHBondContact O-N 3.17Å; V178-Y181 HydrophobicContact CG1-CE2 4.35Å; V178-K193 HydrophobicContact CG1-CG 4.11Å; V178-H196 HydrophobicContact CG1-CB 4.14Å; V178-Y197 HydrophobicContact CG2-CD1 4.45Å; V178-Y197 HydrophobicContact CG2-CE1 3.72Å
179	P	76.2	Confident	63	Low	57 Å²	57	97.9 Å²	97.9	37%	0.37	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-56.3	146.7	179.4	-25.9	34.7	0	0	0	111.3	P177 Y181	P177-P179 WeakPolarHBondContact O-CD 3.35Å; P179-Y181 HydrophobicContact CB-CE1 4.42Å; P179-Y181 HydrophobicContact CB-CE2 4.46Å; P179-Y181 WeakPolarHBondContact O-CD2 3.29Å; P179-Y181 VanDerWaalsContact O-CE2 3.28Å; P179-Y181 WeakPolarHBondContact O-CE2 3.33Å
180	D	75.9	Confident	65.6	Low	99 Å²	99	91.4 Å²	91.4	53%	0.529	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-76.2	138.4	154	-137.1	-40.8	0	0	0	108.7	E182 K193	D180-E182 HydrophobicContact CB-CG 4.41Å; D180-K193 VanDerWaalsContact OD1-CE 3.28Å; D180-K193 WeakPolarHBondContact OD1-CE 3.26Å; D180-K193 IonicContact OD1-NZ 2.75Å; D180-K193 PolarHBondContact OD1-NZ 3.29Å; D180-K193 IonicContact OD2-NZ 3.77Å; D180-K193 PolarHBondContact OD2-NZ 3.08Å
181	Y	79	Confident	68.7	Low	9 Å²	9	88.3 Å²	88.3	4%	0.035	53%	0.532	C	S	.	.			trans	-99.4	-15.8	-171.6	-70.2	-82.3	0	0	0	112.5	V178 P179 T183 D189 L192 K193 H196 S276 R277	V178-Y181 HydrophobicContact CG1-CE2 4.35Å; P179-Y181 HydrophobicContact CB-CE1 4.42Å; P179-Y181 HydrophobicContact CB-CE2 4.46Å; P179-Y181 WeakPolarHBondContact O-CD2 3.29Å; P179-Y181 VanDerWaalsContact O-CE2 3.28Å; P179-Y181 WeakPolarHBondContact O-CE2 3.33Å; Y181-T183 PolarHBondContact O-N 2.92Å; Y181-T183 VanDerWaalsContact O-N 3.1Å; Y181-D189 WeakPolarHBondContact CB-OD1 3.28Å; Y181-L192 HydrophobicContact CD1-CB 4.25Å; Y181-L192 HydrophobicContact CD1-CD1 4.06Å; Y181-L192 HydrophobicContact CD2-CB 3.64Å; Y181-L192 HydrophobicContact CD2-CD1 4.45Å; Y181-L192 HydrophobicContact CE2-CB 3.96Å; Y181-L192 HydrophobicContact CG-CB 3.82Å; Y181-L192 HydrophobicContact CG-CD1 3.79Å; Y181-L192 HydrophobicContact CG-CG 4.45Å; Y181-K193 HydrophobicContact CD2-CG 4.03Å; Y181-K193 HydrophobicContact CE2-CG 4.05Å; Y181-H196 PolarHBondContact OH-ND1 2.82Å; Y181-S276 PolarHBondContact OH-OG 2.59Å; Y181-R277 HydrophobicContact CD1-CG 4.2Å
182	E	78.5	Confident	71.5	Confident	169 Å²	169	83.8 Å²	83.8	79%	0.79	50%	0.5	S	S	*	.			trans	47.6	37	173.1	-59.8	-172.2	173.4	0	0	113.5	D180 G184 D189	D180-E182 HydrophobicContact CB-CG 4.41Å; E182-G184 PolarHBondContact O-N 2.93Å; E182-D189 PolarHBondContact N-OD1 2.92Å
183	T	77.9	Confident	74.1	Confident	63 Å²	63	79.9 Å²	79.9	39%	0.387	47%	0.472	S	S	.	.			trans	-68.4	-18.2	-176.5	55.9	0	0	0	0	113.9	Y181 D185 D189 L192	Y181-T183 PolarHBondContact O-N 2.92Å; Y181-T183 VanDerWaalsContact O-N 3.1Å; T183-D185 VanDerWaalsContact C-N 3.35Å; T183-D185 PolarHBondContact OG1-N 3.5Å; T183-D185 PolarHBondContact OG1-O 3.4Å; T183-D189 WeakPolarHBondContact CB-OD1 3.17Å; T183-D189 VanDerWaalsContact CG2-OD1 3.31Å; T183-D189 WeakPolarHBondContact CG2-OD1 3.38Å; T183-D189 PolarHBondContact N-OD1 2.72Å; T183-D189 VanDerWaalsContact OG1-CG 3.28Å; T183-D189 PolarHBondContact OG1-OD1 3.5Å; T183-L192 HydrophobicContact CG2-CD1 3.53Å
184	G	74.8	Confident	76.6	Confident	82 Å²	82	76.7 Å²	76.7	85%	0.845	45%	0.451	S	S	*	.	S	Bend	trans	88.1	-5	-173.5	0	0	0	0	0	114.5	E182	E182-G184 PolarHBondContact O-N 2.93Å
185	D	84.2	Confident	79.3	Confident	82 Å²	82	72.7 Å²	72.7	44%	0.439	41%	0.41	S	S	.	.			trans	-119.7	118	169	-177.9	4.1	0	0	0	110.3	T183 K187 D188 D189	T183-D185 VanDerWaalsContact C-N 3.35Å; T183-D185 PolarHBondContact OG1-N 3.5Å; T183-D185 PolarHBondContact OG1-O 3.4Å; D185-K187 PolarHBondContact O-N 2.99Å; D185-K187 VanDerWaalsContact O-N 3.15Å; D185-K187 WeakPolarHBondContact OD1-CB 3.5Å; D185-K187 PolarHBondContact OD1-N 3.43Å; D185-D188 HydrophobicContact CB-CB 4.26Å; D185-D188 PolarHBondContact O-N 3.4Å; D185-D189 PolarHBondContact O-N 3.13Å
186	E	84.7	Confident	81.4	Confident	161 Å²	161	69.7 Å²	69.7	75%	0.752	38%	0.382	S	S	*	.	H	α-helix	trans	-54.4	-32.9	175.2	-170.6	-172.3	170.7	0	0	111.9	Q190	E186-Q190 WeakPolarHBondContact O-CB 3.32Å; E186-Q190 PolarHBondContact O-N 2.97Å
187	K	83.8	Confident	83.2	Confident	139 Å²	139	71.6 Å²	71.6	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-70.6	-40	178	-62.9	-168.9	177.3	-164.2	0	112.2	D185 R191	D185-K187 PolarHBondContact O-N 2.99Å; D185-K187 VanDerWaalsContact O-N 3.15Å; D185-K187 WeakPolarHBondContact OD1-CB 3.5Å; D185-K187 PolarHBondContact OD1-N 3.43Å; K187-R191 PolarHBondContact O-N 2.89Å
188	D	85.6	Confident	84.3	Confident	47 Å²	47	65.9 Å²	65.9	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-76.6	-41.9	179.9	-152.3	63.7	0	0	0	111.6	D185 Q190 R191 L192	D185-D188 HydrophobicContact CB-CB 4.26Å; D185-D188 PolarHBondContact O-N 3.4Å; D188-Q190 PolarHBondContact O-N 2.87Å; D188-R191 CarbonylContact O-C 3.57Å; D188-R191 WeakPolarHBondContact O-CA 3.48Å; D188-R191 WeakPolarHBondContact O-CB 3.37Å; D188-R191 PolarHBondContact O-N 2.56Å; D188-R191 IonicContact OD1-CZ 2.74Å; D188-R191 IonicContact OD1-NE 3.22Å; D188-R191 PolarHBondContact OD1-NE 3.27Å; D188-R191 IonicContact OD1-NH2 2.87Å; D188-R191 PolarHBondContact OD1-NH2 3.41Å; D188-R191 IonicContact OD2-CZ 3.44Å; D188-R191 IonicContact OD2-NH2 3.66Å; D188-R191 PolarHBondContact OD2-NH2 3.14Å; D188-L192 WeakPolarHBondContact O-CG 3.36Å; D188-L192 PolarHBondContact O-N 2.73Å
189	D	86	Confident	85.1	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.112	33%	0.327	C	S	.	.	H	α-helix	trans	-55.8	-42.1	169.9	-77.6	-9.8	0	0	0	111	Y181 E182 T183 D185 R191 L192 K193	Y181-D189 WeakPolarHBondContact CB-OD1 3.28Å; E182-D189 PolarHBondContact N-OD1 2.92Å; T183-D189 WeakPolarHBondContact CB-OD1 3.17Å; T183-D189 VanDerWaalsContact CG2-OD1 3.31Å; T183-D189 WeakPolarHBondContact CG2-OD1 3.38Å; T183-D189 PolarHBondContact N-OD1 2.72Å; T183-D189 VanDerWaalsContact OG1-CG 3.28Å; T183-D189 PolarHBondContact OG1-OD1 3.5Å; D185-D189 PolarHBondContact O-N 3.13Å; D189-R191 PolarHBondContact O-N 3.12Å; D189-L192 PolarHBondContact O-N 2.82Å; D189-K193 VanDerWaalsContact O-CB 3.32Å; D189-K193 WeakPolarHBondContact O-CB 3.47Å; D189-K193 WeakPolarHBondContact O-CD 3.47Å; D189-K193 WeakPolarHBondContact O-CG 3.38Å; D189-K193 PolarHBondContact O-N 2.86Å
190	Q	86.1	Confident	85.8	Confident	77 Å²	77	63.4 Å²	63.4	36%	0.36	32%	0.323	S	S	.	.	H	α-helix	trans	-67.3	-32.6	175.6	-177.9	60.6	104.3	0	0	112.7	E186 D188 K194	E186-Q190 WeakPolarHBondContact O-CB 3.32Å; E186-Q190 PolarHBondContact O-N 2.97Å; D188-Q190 PolarHBondContact O-N 2.87Å; Q190-K194 VanDerWaalsContact O-CG 3.29Å; Q190-K194 WeakPolarHBondContact O-CG 3.27Å; Q190-K194 PolarHBondContact O-N 3.48Å; Q190-K194 VanDerWaalsContact O-N 3.1Å
191	R	91	Very high	86.5	Confident	48 Å²	48	60.2 Å²	60.2	18%	0.181	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-47.2	172.5	-176.1	-171.9	62.6	75.3	4.8	111.4	K187 D188 D189 K193 K194 L195 Y363	K187-R191 PolarHBondContact O-N 2.89Å; D188-R191 CarbonylContact O-C 3.57Å; D188-R191 WeakPolarHBondContact O-CA 3.48Å; D188-R191 WeakPolarHBondContact O-CB 3.37Å; D188-R191 PolarHBondContact O-N 2.56Å; D188-R191 IonicContact OD1-CZ 2.74Å; D188-R191 IonicContact OD1-NE 3.22Å; D188-R191 PolarHBondContact OD1-NE 3.27Å; D188-R191 IonicContact OD1-NH2 2.87Å; D188-R191 PolarHBondContact OD1-NH2 3.41Å; D188-R191 IonicContact OD2-CZ 3.44Å; D188-R191 IonicContact OD2-NH2 3.66Å; D188-R191 PolarHBondContact OD2-NH2 3.14Å; D189-R191 PolarHBondContact O-N 3.12Å; R191-K193 VanDerWaalsContact C-N 3.33Å; R191-K193 PolarHBondContact O-N 3.1Å; R191-K194 WeakPolarHBondContact O-CB 3.34Å; R191-K194 PolarHBondContact O-N 3.11Å; R191-K194 VanDerWaalsContact O-N 3.15Å; R191-L195 WeakPolarHBondContact O-CB 3.46Å; R191-L195 PolarHBondContact O-N 2.71Å; R191-Y363 WeakPolarHBondContact CD-O 3.26Å; R191-Y363 WeakPolarHBondContact CG-O 3.11Å; R191-Y363 PolarHBondContact NH1-O 3.28Å
192	L	90.1	Very high	87.1	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-38	178.6	-67.1	172.7	0	0	0	112	Y181 T183 D188 D189 L195 H196 S276 R277	Y181-L192 HydrophobicContact CD1-CB 4.25Å; Y181-L192 HydrophobicContact CD1-CD1 4.06Å; Y181-L192 HydrophobicContact CD2-CB 3.64Å; Y181-L192 HydrophobicContact CD2-CD1 4.45Å; Y181-L192 HydrophobicContact CE2-CB 3.96Å; Y181-L192 HydrophobicContact CG-CB 3.82Å; Y181-L192 HydrophobicContact CG-CD1 3.79Å; Y181-L192 HydrophobicContact CG-CG 4.45Å; T183-L192 HydrophobicContact CG2-CD1 3.53Å; D188-L192 WeakPolarHBondContact O-CG 3.36Å; D188-L192 PolarHBondContact O-N 2.73Å; D189-L192 PolarHBondContact O-N 2.82Å; L192-L195 PolarHBondContact O-N 2.91Å; L192-H196 WeakPolarHBondContact O-CB 3.36Å; L192-H196 PolarHBondContact O-N 2.8Å; L192-S276 VanDerWaalsContact CD2-O 3.25Å; L192-S276 WeakPolarHBondContact CD2-O 3.47Å; L192-S276 WeakPolarHBondContact O-CB 3.33Å; L192-S276 PolarHBondContact O-OG 2.85Å; L192-R277 HydrophobicContact CD1-CG 4.16Å; L192-R277 HydrophobicContact CD2-CG 4.38Å
193	K	88.9	Confident	87.8	Confident	50 Å²	50	53.4 Å²	53.4	22%	0.217	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-43	171.6	-70.2	165	-172	173.1	0	111.5	V178 D180 Y181 D189 R191 H196 Y197	V178-K193 HydrophobicContact CG1-CG 4.11Å; D180-K193 VanDerWaalsContact OD1-CE 3.28Å; D180-K193 WeakPolarHBondContact OD1-CE 3.26Å; D180-K193 IonicContact OD1-NZ 2.75Å; D180-K193 PolarHBondContact OD1-NZ 3.29Å; D180-K193 IonicContact OD2-NZ 3.77Å; D180-K193 PolarHBondContact OD2-NZ 3.08Å; Y181-K193 HydrophobicContact CD2-CG 4.03Å; Y181-K193 HydrophobicContact CE2-CG 4.05Å; D189-K193 VanDerWaalsContact O-CB 3.32Å; D189-K193 WeakPolarHBondContact O-CB 3.47Å; D189-K193 WeakPolarHBondContact O-CD 3.47Å; D189-K193 WeakPolarHBondContact O-CG 3.38Å; D189-K193 PolarHBondContact O-N 2.86Å; R191-K193 VanDerWaalsContact C-N 3.33Å; R191-K193 PolarHBondContact O-N 3.1Å; K193-H196 PolarHBondContact O-N 2.94Å; K193-Y197 WeakPolarHBondContact O-CD2 3.47Å; K193-Y197 PolarHBondContact O-N 2.98Å; K193-Y197 VanDerWaalsContact O-N 3.11Å
194	K	88.9	Confident	88.4	Confident	82 Å²	82	57.2 Å²	57.2	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-42.5	172.7	-76.4	171.5	179.4	179.3	0	112.6	Q190 R191 Y197 A198 Y363	Q190-K194 VanDerWaalsContact O-CG 3.29Å; Q190-K194 WeakPolarHBondContact O-CG 3.27Å; Q190-K194 PolarHBondContact O-N 3.48Å; Q190-K194 VanDerWaalsContact O-N 3.1Å; R191-K194 WeakPolarHBondContact O-CB 3.34Å; R191-K194 PolarHBondContact O-N 3.11Å; R191-K194 VanDerWaalsContact O-N 3.15Å; K194-Y197 PolarHBondContact O-N 3.07Å; K194-A198 PolarHBondContact O-N 3.27Å; K194-Y363 HydrophobicContact CB-CD1 4.23Å; K194-Y363 HydrophobicContact CB-CD2 3.71Å; K194-Y363 HydrophobicContact CB-CE1 4.42Å; K194-Y363 HydrophobicContact CB-CE2 3.88Å; K194-Y363 HydrophobicContact CB-CG 3.92Å; K194-Y363 HydrophobicContact CD-CD1 4.26Å; K194-Y363 HydrophobicContact CD-CE1 4.11Å
195	L	92.3	Very high	89.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-40.8	177.6	-177.3	58.1	0	0	0	111.8	R191 L192 A198 A199 W274 S276 P279 Y360 L364	R191-L195 WeakPolarHBondContact O-CB 3.46Å; R191-L195 PolarHBondContact O-N 2.71Å; L192-L195 PolarHBondContact O-N 2.91Å; L195-A198 PolarHBondContact O-N 2.92Å; L195-A199 PolarHBondContact O-N 2.88Å; L195-W274 HydrophobicContact CG-CZ2 4.36Å; L195-S276 WeakPolarHBondContact CD2-O 3.31Å; L195-P279 HydrophobicContact CD2-CB 4.12Å; L195-P279 HydrophobicContact CD2-CG 4.29Å; L195-Y360 HydrophobicContact CD1-CD2 3.61Å; L195-Y360 HydrophobicContact CD1-CE2 3.6Å; L195-Y360 HydrophobicContact CD1-CG 4.33Å; L195-L364 HydrophobicContact CD1-CD2 3.9Å; L195-L364 HydrophobicContact CD1-CG 4.41Å; L195-L364 HydrophobicContact CD2-CD2 4.01Å
196	H	91.5	Very high	89.6	Confident	16 Å²	16	49.9 Å²	49.9	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-48.6	172.6	-169.3	112.4	0	0	0	111.2	V178 Y181 L192 K193 A198 A199 V200 W274 S276	V178-H196 HydrophobicContact CG1-CB 4.14Å; Y181-H196 PolarHBondContact OH-ND1 2.82Å; L192-H196 WeakPolarHBondContact O-CB 3.36Å; L192-H196 PolarHBondContact O-N 2.8Å; K193-H196 PolarHBondContact O-N 2.94Å; H196-A198 VanDerWaalsContact C-N 3.3Å; H196-A198 PolarHBondContact O-N 2.86Å; H196-A199 PolarHBondContact O-N 2.92Å; H196-V200 WeakPolarHBondContact O-CG2 3.37Å; H196-V200 PolarHBondContact O-N 2.66Å; H196-W274 AromaticContact CE1-CD1 3.92Å; H196-W274 AromaticContact ND1-CD1 3.37Å; H196-W274 AromaticContact ND1-NE1 3.96Å; H196-S276 WeakPolarHBondContact CB-OG 3.41Å; H196-S276 PolarHBondContact N-OG 3.45Å
197	Y	89.9	Confident	90	Very high	134 Å²	134	46.4 Å²	46.4	53%	0.525	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-34.5	176.8	-70.7	-57.9	0	0	0	113.1	V178 K193 K194 E201	V178-Y197 HydrophobicContact CG2-CD1 4.45Å; V178-Y197 HydrophobicContact CG2-CE1 3.72Å; K193-Y197 WeakPolarHBondContact O-CD2 3.47Å; K193-Y197 PolarHBondContact O-N 2.98Å; K193-Y197 VanDerWaalsContact O-N 3.11Å; K194-Y197 PolarHBondContact O-N 3.07Å; Y197-E201 PolarHBondContact O-N 2.96Å
198	A	89.7	Confident	90.2	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-41.4	174.4	0	0	0	0	0	112.1	K194 L195 H196 E201 F202 Y360 Y363	K194-A198 PolarHBondContact O-N 3.27Å; L195-A198 PolarHBondContact O-N 2.92Å; H196-A198 VanDerWaalsContact C-N 3.3Å; H196-A198 PolarHBondContact O-N 2.86Å; A198-E201 PolarHBondContact O-N 2.95Å; A198-F202 WeakPolarHBondContact O-CD2 3.26Å; A198-Y360 HydrophobicContact CB-CD2 4.43Å; A198-Y363 HydrophobicContact CB-CD2 4.1Å; A198-Y363 HydrophobicContact CB-CE2 4.21Å
199	A	92.1	Very high	90.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-45.7	174	0	0	0	0	0	111.9	L195 H196 E201 F202 W274 M281	L195-A199 PolarHBondContact O-N 2.88Å; H196-A199 PolarHBondContact O-N 2.92Å; A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 PolarHBondContact O-N 2.83Å; A199-F202 WeakPolarHBondContact O-CB 3.3Å; A199-F202 PolarHBondContact O-N 2.81Å; A199-W274 HydrophobicContact CB-CD2 3.85Å; A199-W274 HydrophobicContact CB-CE3 3.97Å; A199-W274 HydrophobicContact CB-CH2 3.83Å; A199-W274 HydrophobicContact CB-CZ2 3.68Å; A199-W274 HydrophobicContact CB-CZ3 3.96Å; A199-M281 HydrophobicContact CB-CE 4.25Å
200	V	90.6	Very high	90.9	Very high	48 Å²	48	40.7 Å²	40.7	29%	0.291	19%	0.19	S	C	.	.	H	α-helix	trans	-67.9	-26.9	177.6	174.9	0	0	0	0	112.4	H196 F202 L203 K204	H196-V200 WeakPolarHBondContact O-CG2 3.37Å; H196-V200 PolarHBondContact O-N 2.66Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.1Å; V200-L203 PolarHBondContact O-N 2.84Å; V200-K204 PolarHBondContact O-N 2.77Å
201	E	89.9	Confident	91.2	Very high	31 Å²	31	40.5 Å²	40.5	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-37	172.9	-165.8	-179.4	172.6	0	0	111.7	Y197 A198 A199 L203 K204 V205 R352 L356 R359	Y197-E201 PolarHBondContact O-N 2.96Å; A198-E201 PolarHBondContact O-N 2.95Å; A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 PolarHBondContact O-N 2.83Å; E201-L203 PolarHBondContact O-N 3.44Å; E201-K204 PolarHBondContact O-N 2.89Å; E201-V205 HydrophobicContact CG-CG2 3.99Å; E201-V205 WeakPolarHBondContact O-CB 3.26Å; E201-V205 VanDerWaalsContact O-CG2 3.27Å; E201-V205 WeakPolarHBondContact O-CG2 3.48Å; E201-V205 PolarHBondContact O-N 2.81Å; E201-R352 IonicContact OE1-CZ 3.89Å; E201-R352 IonicContact OE1-NE 3.08Å; E201-R352 IonicContact OE1-NH2 2.94Å; E201-R352 PolarHBondContact OE1-NH2 2.83Å; E201-L356 HydrophobicContact CB-CD2 4.06Å; E201-L356 HydrophobicContact CG-CD2 3.58Å; E201-L356 WeakPolarHBondContact OE1-CD2 3.43Å; E201-R359 IonicContact OE2-CZ 3.27Å; E201-R359 IonicContact OE2-NH1 2.96Å; E201-R359 PolarHBondContact OE2-NH1 3.34Å
202	F	93.1	Very high	91.2	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-48	173.1	-75.9	-83.4	0	0	0	111.8	A198 A199 V200 V205 Q206 I267 M281 I285 L356 M357 Y360	A198-F202 WeakPolarHBondContact O-CD2 3.26Å; A199-F202 WeakPolarHBondContact O-CB 3.3Å; A199-F202 PolarHBondContact O-N 2.81Å; V200-F202 VanDerWaalsContact C-N 3.31Å; V200-F202 PolarHBondContact O-N 3.1Å; F202-V205 PolarHBondContact O-N 3.2Å; F202-Q206 WeakPolarHBondContact O-CB 3.21Å; F202-Q206 PolarHBondContact O-N 2.79Å; F202-I267 HydrophobicContact CB-CD1 4.36Å; F202-I267 HydrophobicContact CB-CG2 4.08Å; F202-M281 HydrophobicContact CB-CE 4.37Å; F202-M281 HydrophobicContact CD2-CG 3.87Å; F202-M281 HydrophobicContact CD2-SD 4.47Å; F202-M281 HydrophobicContact CE2-CG 3.92Å; F202-M281 HydrophobicContact CG-CG 4.37Å; F202-M281 HydrophobicContact CG-SD 4.49Å; F202-M281 HydrophobicContact CZ-CG 4.47Å; F202-I285 HydrophobicContact CD1-CD1 3.58Å; F202-I285 HydrophobicContact CD1-CG1 3.99Å; F202-I285 HydrophobicContact CE1-CD1 3.74Å; F202-I285 HydrophobicContact CE1-CG1 3.66Å; F202-I285 HydrophobicContact CE1-CG2 4.41Å; F202-I285 HydrophobicContact CG-CD1 4.35Å; F202-I285 HydrophobicContact CZ-CG1 4.12Å; F202-L356 HydrophobicContact CD1-CB 3.91Å; F202-L356 HydrophobicContact CD1-CD1 3.73Å; F202-L356 HydrophobicContact CD1-CG 4.46Å; F202-L356 HydrophobicContact CD2-CB 4.43Å; F202-L356 HydrophobicContact CE1-CB 3.4Å; F202-L356 HydrophobicContact CE1-CD1 4.02Å; F202-L356 HydrophobicContact CE1-CG 4.37Å; F202-L356 HydrophobicContact CE2-CB 3.99Å; F202-L356 HydrophobicContact CG-CB 4.41Å; F202-L356 HydrophobicContact CG-CD1 4.24Å; F202-L356 HydrophobicContact CZ-CB 3.46Å; F202-L356 VanDerWaalsContact CZ-CB 3.46Å; F202-M357 HydrophobicContact CE1-CE 4.34Å; F202-M357 HydrophobicContact CZ-CB 4.22Å; F202-M357 HydrophobicContact CZ-CE 3.75Å; F202-M357 HydrophobicContact CZ-SD 4.44Å; F202-Y360 HydrophobicContact CE2-CD2 4.5Å; F202-Y360 HydrophobicContact CE2-CG 4.41Å
203	L	93.1	Very high	91.3	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-47	178.6	-179.9	56.4	0	0	0	111.2	V200 E201 Q206 N207 L264 I267 D268 C271	V200-L203 PolarHBondContact O-N 2.84Å; E201-L203 PolarHBondContact O-N 3.44Å; L203-Q206 PolarHBondContact O-N 3.17Å; L203-N207 VanDerWaalsContact O-CB 3.24Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.18Å; L203-L264 HydrophobicContact CD1-CD1 3.68Å; L203-I267 HydrophobicContact CB-CG2 3.87Å; L203-I267 HydrophobicContact CD1-CG2 4.25Å; L203-D268 HydrophobicContact CD1-CB 3.87Å; L203-C271 HydrophobicContact CD2-CB 3.84Å
204	K	89.7	Confident	91.4	Very high	143 Å²	143	39.2 Å²	39.2	62%	0.622	19%	0.185	S	C	*	.	H	α-helix	trans	-63	-43.9	179.4	-173.5	169.6	-176	168.3	0	112.5	V200 E201 N208	V200-K204 PolarHBondContact O-N 2.77Å; E201-K204 PolarHBondContact O-N 2.89Å; K204-N208 PolarHBondContact O-N 3.37Å; K204-N208 PolarHBondContact O-ND2 3.28Å
205	V	90	Very high	91.5	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-45.6	177.4	168.1	0	0	0	0	110.6	E201 F202 N208 Y209 R352 L356	E201-V205 HydrophobicContact CG-CG2 3.99Å; E201-V205 WeakPolarHBondContact O-CB 3.26Å; E201-V205 VanDerWaalsContact O-CG2 3.27Å; E201-V205 WeakPolarHBondContact O-CG2 3.48Å; E201-V205 PolarHBondContact O-N 2.81Å; F202-V205 PolarHBondContact O-N 3.2Å; V205-N208 PolarHBondContact O-N 3.32Å; V205-Y209 WeakPolarHBondContact O-CB 3.33Å; V205-Y209 PolarHBondContact O-N 3.47Å; V205-R352 HydrophobicContact CG1-CG 4.36Å; V205-L356 HydrophobicContact CB-CD1 4.16Å; V205-L356 HydrophobicContact CG1-CD1 4.15Å; V205-L356 HydrophobicContact CG2-CD1 4.2Å
206	Q	93.9	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-41	-177.7	-173.8	64.3	12.7	0	0	112.6	F202 L203 Y209 V210 H260 L263 L264 I267 Y353	F202-Q206 WeakPolarHBondContact O-CB 3.21Å; F202-Q206 PolarHBondContact O-N 2.79Å; L203-Q206 PolarHBondContact O-N 3.17Å; Q206-Y209 PolarHBondContact O-N 3.14Å; Q206-V210 WeakPolarHBondContact O-CG2 3.44Å; Q206-V210 PolarHBondContact O-N 3.44Å; Q206-H260 PolarHBondContact NE2-ND1 2.87Å; Q206-H260 PolarHBondContact NE2-O 3.25Å; Q206-L263 HydrophobicContact CG-CG 4.37Å; Q206-L264 HydrophobicContact CB-CD1 4.15Å; Q206-L264 HydrophobicContact CG-CB 3.76Å; Q206-L264 HydrophobicContact CG-CD1 3.9Å; Q206-L264 HydrophobicContact CG-CG 4.41Å; Q206-I267 HydrophobicContact CB-CD1 4.06Å; Q206-I267 HydrophobicContact CG-CD1 4.06Å; Q206-Y353 PolarHBondContact OE1-OH 2.76Å
207	N	93.3	Very high	91.4	Very high	89 Å²	89	35 Å²	35	48%	0.476	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-50.6	176.9	-173.1	-31	0	0	0	110.6	L203 Y209 V210 Q211 L264	L203-N207 VanDerWaalsContact O-CB 3.24Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.18Å; N207-Y209 VanDerWaalsContact C-N 3.25Å; N207-Y209 PolarHBondContact O-N 3.36Å; N207-V210 PolarHBondContact O-N 3.02Å; N207-Q211 WeakPolarHBondContact O-CB 3.19Å; N207-Q211 PolarHBondContact O-N 3.13Å; N207-L264 HydrophobicContact CB-CD1 3.99Å
208	N	89.3	Confident	91.4	Very high	82 Å²	82	31.3 Å²	31.3	44%	0.439	16%	0.157	S	C	.	.	H	α-helix	trans	-56.3	-38.5	174.3	-79.3	-63.6	0	0	0	112.6	K204 V205 Y212	K204-N208 PolarHBondContact O-N 3.37Å; K204-N208 PolarHBondContact O-ND2 3.28Å; V205-N208 PolarHBondContact O-N 3.32Å; N208-Y212 PolarHBondContact O-N 2.92Å
209	Y	92.1	Very high	91.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.3	-44.2	179	-172.9	-143.8	0	0	0	113.2	V205 Q206 N207 Q211 Y212 L213 H260 Q345 V346 N349	V205-Y209 WeakPolarHBondContact O-CB 3.33Å; V205-Y209 PolarHBondContact O-N 3.47Å; Q206-Y209 PolarHBondContact O-N 3.14Å; N207-Y209 VanDerWaalsContact C-N 3.25Å; N207-Y209 PolarHBondContact O-N 3.36Å; Y209-Q211 VanDerWaalsContact C-N 3.26Å; Y209-Q211 PolarHBondContact O-N 2.92Å; Y209-Y212 AromaticContact CD2-CD1 3.58Å; Y209-Y212 HydrophobicContact CD2-CD1 3.58Å; Y209-Y212 HydrophobicContact CD2-CE1 4.21Å; Y209-Y212 HydrophobicContact CD2-CG 4.48Å; Y209-Y212 AromaticContact CE2-CD1 3.59Å; Y209-Y212 HydrophobicContact CE2-CD1 3.59Å; Y209-Y212 AromaticContact CE2-CE1 3.75Å; Y209-Y212 HydrophobicContact CE2-CE1 3.75Å; Y209-Y212 WeakPolarHBondContact O-CB 3.28Å; Y209-Y212 PolarHBondContact O-N 3.41Å; Y209-L213 HydrophobicContact CD1-CD1 4.18Å; Y209-L213 HydrophobicContact CD2-CD1 4.31Å; Y209-L213 HydrophobicContact CD2-CG 4.13Å; Y209-L213 HydrophobicContact CE1-CD1 3.88Å; Y209-L213 HydrophobicContact CE2-CD1 4.04Å; Y209-L213 HydrophobicContact CE2-CD2 3.97Å; Y209-L213 HydrophobicContact CE2-CG 3.83Å; Y209-L213 HydrophobicContact CG-CD1 4.38Å; Y209-L213 WeakPolarHBondContact O-CG 3.24Å; Y209-L213 PolarHBondContact O-N 3.36Å; Y209-H260 AromaticContact CD1-ND1 3.57Å; Y209-H260 AromaticContact CE1-CD2 3.98Å; Y209-H260 AromaticContact CE1-CE1 3.52Å; Y209-H260 AromaticContact CE1-CG 3.71Å; Y209-H260 AromaticContact CE1-ND1 3.4Å; Y209-H260 WeakPolarHBondContact CE1-ND1 3.25Å; Y209-H260 AromaticContact CE1-NE2 3.85Å; Y209-Q345 HydrophobicContact CD2-CG 4.06Å; Y209-Q345 HydrophobicContact CE2-CG 4.43Å; Y209-V346 HydrophobicContact CE2-CG2 4.26Å; Y209-V346 WeakPolarHBondContact OH-CG1 3.38Å; Y209-N349 VanDerWaalsContact CB-ND2 3.27Å; Y209-N349 WeakPolarHBondContact CB-ND2 3.38Å; Y209-N349 HydrophobicContact CD1-CB 3.81Å; Y209-N349 HydrophobicContact CD2-CB 4.1Å; Y209-N349 WeakPolarHBondContact CD2-ND2 3.31Å; Y209-N349 HydrophobicContact CE1-CB 4.02Å; Y209-N349 HydrophobicContact CE2-CB 4.29Å; Y209-N349 HydrophobicContact CG-CB 3.88Å
210	V	94	Very high	91.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-39	174.3	165.9	0	0	0	0	110.9	Q206 N207 L213 K214 L257 H260 E261 L264	Q206-V210 WeakPolarHBondContact O-CG2 3.44Å; Q206-V210 PolarHBondContact O-N 3.44Å; N207-V210 PolarHBondContact O-N 3.02Å; V210-L213 PolarHBondContact O-N 3.26Å; V210-K214 HydrophobicContact CG1-CD 4.29Å; V210-K214 WeakPolarHBondContact O-CG 3.37Å; V210-K214 PolarHBondContact O-N 3.13Å; V210-L257 HydrophobicContact CG1-CD1 4.16Å; V210-H260 VanDerWaalsContact CG2-C 3.48Å; V210-H260 HydrophobicContact CG2-CB 3.9Å; V210-H260 VanDerWaalsContact CG2-O 3.3Å; V210-H260 WeakPolarHBondContact CG2-O 3.48Å; V210-E261 HydrophobicContact CG1-CG 3.77Å; V210-E261 HydrophobicContact CG2-CG 4.48Å; V210-L264 HydrophobicContact CB-CD2 4.02Å; V210-L264 HydrophobicContact CG1-CD2 4.04Å; V210-L264 HydrophobicContact CG2-CB 4.12Å; V210-L264 HydrophobicContact CG2-CD2 4.04Å
211	Q	91.2	Very high	91.5	Very high	74 Å²	74	32.5 Å²	32.5	35%	0.346	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-43.6	175	179.5	55.6	25.6	0	0	112.1	N207 Y209 L213 K214 E215	N207-Q211 WeakPolarHBondContact O-CB 3.19Å; N207-Q211 PolarHBondContact O-N 3.13Å; Y209-Q211 VanDerWaalsContact C-N 3.26Å; Y209-Q211 PolarHBondContact O-N 2.92Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.35Å; Q211-K214 PolarHBondContact O-N 2.75Å; Q211-E215 WeakPolarHBondContact CG-OE1 3.03Å; Q211-E215 PolarHBondContact NE2-OE1 2.85Å; Q211-E215 VanDerWaalsContact O-CG 3.31Å; Q211-E215 WeakPolarHBondContact O-CG 3.17Å; Q211-E215 PolarHBondContact O-N 2.76Å
212	Y	91.1	Very high	91.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-44.3	170.7	154.3	-92	0	0	0	112.2	N208 Y209 K214 E215 M216 M253 Q342 Q345 V346	N208-Y212 PolarHBondContact O-N 2.92Å; Y209-Y212 AromaticContact CD2-CD1 3.58Å; Y209-Y212 HydrophobicContact CD2-CD1 3.58Å; Y209-Y212 HydrophobicContact CD2-CE1 4.21Å; Y209-Y212 HydrophobicContact CD2-CG 4.48Å; Y209-Y212 AromaticContact CE2-CD1 3.59Å; Y209-Y212 HydrophobicContact CE2-CD1 3.59Å; Y209-Y212 AromaticContact CE2-CE1 3.75Å; Y209-Y212 HydrophobicContact CE2-CE1 3.75Å; Y209-Y212 WeakPolarHBondContact O-CB 3.28Å; Y209-Y212 PolarHBondContact O-N 3.41Å; Y212-K214 VanDerWaalsContact C-N 3.28Å; Y212-K214 PolarHBondContact O-N 3.48Å; Y212-E215 WeakPolarHBondContact O-CB 3.4Å; Y212-E215 PolarHBondContact O-N 3.19Å; Y212-M216 HydrophobicContact CD2-CG 3.87Å; Y212-M216 HydrophobicContact CE2-CB 4.45Å; Y212-M216 HydrophobicContact CE2-CG 3.3Å; Y212-M216 HydrophobicContact CE2-SD 4.31Å; Y212-M216 PolarHBondContact O-N 2.83Å; Y212-M253 HydrophobicContact CE1-CE 4.42Å; Y212-M253 VanDerWaalsContact OH-CE 3.24Å; Y212-M253 WeakPolarHBondContact OH-CE 3.33Å; Y212-Q342 HydrophobicContact CD2-CB 4.25Å; Y212-Q342 VanDerWaalsContact CD2-OE1 3.29Å; Y212-Q342 HydrophobicContact CE2-CB 3.86Å; Y212-Q342 WeakPolarHBondContact CE2-O 3.37Å; Y212-Q342 PolarHBondContact OH-O 3.46Å; Y212-Q345 HydrophobicContact CD1-CB 4.14Å; Y212-Q345 HydrophobicContact CD1-CG 3.83Å; Y212-Q345 HydrophobicContact CD2-CB 4.07Å; Y212-Q345 HydrophobicContact CD2-CG 4.11Å; Y212-Q345 HydrophobicContact CE1-CB 4.02Å; Y212-Q345 HydrophobicContact CE1-CG 4.2Å; Y212-Q345 HydrophobicContact CE2-CB 3.93Å; Y212-Q345 HydrophobicContact CE2-CG 4.45Å; Y212-Q345 HydrophobicContact CG-CB 4.16Å; Y212-Q345 HydrophobicContact CG-CG 3.77Å; Y212-V346 HydrophobicContact CE1-CG2 3.83Å
213	L	92.6	Very high	91.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-35.2	179.6	-72.7	170.2	0	0	0	111.3	Y209 V210 Q211 A217 M253 I256 L257 H260	Y209-L213 HydrophobicContact CD1-CD1 4.18Å; Y209-L213 HydrophobicContact CD2-CD1 4.31Å; Y209-L213 HydrophobicContact CD2-CG 4.13Å; Y209-L213 HydrophobicContact CE1-CD1 3.88Å; Y209-L213 HydrophobicContact CE2-CD1 4.04Å; Y209-L213 HydrophobicContact CE2-CD2 3.97Å; Y209-L213 HydrophobicContact CE2-CG 3.83Å; Y209-L213 HydrophobicContact CG-CD1 4.38Å; Y209-L213 WeakPolarHBondContact O-CG 3.24Å; Y209-L213 PolarHBondContact O-N 3.36Å; V210-L213 PolarHBondContact O-N 3.26Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.35Å; L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.32Å; L213-M253 HydrophobicContact CD2-SD 3.6Å; L213-I256 HydrophobicContact CD1-CG2 3.91Å; L213-I256 HydrophobicContact CD2-CB 4.44Å; L213-I256 HydrophobicContact CD2-CG2 3.94Å; L213-L257 HydrophobicContact CB-CB 4.28Å; L213-L257 HydrophobicContact CB-CD1 3.74Å; L213-H260 HydrophobicContact CD1-CB 3.83Å
214	K	91.9	Very high	91.4	Very high	71 Å²	71	33.7 Å²	33.7	31%	0.309	17%	0.165	S	C	.	.	H	α-helix	trans	-69.5	-42.6	172.3	-71.2	171.3	-177.4	-177.1	0	112.5	V210 Q211 Y212 M216 V218 L219 L257 E261	V210-K214 HydrophobicContact CG1-CD 4.29Å; V210-K214 WeakPolarHBondContact O-CG 3.37Å; V210-K214 PolarHBondContact O-N 3.13Å; Q211-K214 PolarHBondContact O-N 2.75Å; Y212-K214 VanDerWaalsContact C-N 3.28Å; Y212-K214 PolarHBondContact O-N 3.48Å; K214-M216 VanDerWaalsContact C-N 3.3Å; K214-M216 PolarHBondContact O-N 2.96Å; K214-V218 WeakPolarHBondContact O-CB 3.27Å; K214-V218 PolarHBondContact O-N 3.42Å; K214-L219 PolarHBondContact O-N 3.41Å; K214-L257 HydrophobicContact CG-CD1 3.86Å; K214-L257 HydrophobicContact CG-CD2 3.92Å; K214-E261 WeakPolarHBondContact CE-OE1 3.28Å; K214-E261 IonicContact NZ-OE1 3.06Å; K214-E261 PolarHBondContact NZ-OE1 2.95Å
215	E	90.8	Very high	91.4	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	15%	0.153	C	C	.	.	I	π-helix	trans	-58.6	-41.3	175.3	-73.9	162.8	-176.2	0	0	111.4	Q211 Y212 L219 Y220 V330 F331 K336	Q211-E215 WeakPolarHBondContact CG-OE1 3.03Å; Q211-E215 PolarHBondContact NE2-OE1 2.85Å; Q211-E215 VanDerWaalsContact O-CG 3.31Å; Q211-E215 WeakPolarHBondContact O-CG 3.17Å; Q211-E215 PolarHBondContact O-N 2.76Å; Y212-E215 WeakPolarHBondContact O-CB 3.4Å; Y212-E215 PolarHBondContact O-N 3.19Å; E215-L219 HydrophobicContact CG-CD1 4.06Å; E215-L219 PolarHBondContact O-N 2.92Å; E215-Y220 WeakPolarHBondContact O-CB 3.21Å; E215-Y220 PolarHBondContact O-N 3.47Å; E215-V330 HydrophobicContact CG-CG1 3.88Å; E215-F331 HydrophobicContact CB-CE1 4.17Å; E215-K336 IonicContact OE1-NZ 2.68Å; E215-K336 PolarHBondContact OE1-NZ 2.84Å; E215-K336 IonicContact OE2-NZ 3.69Å; E215-K336 PolarHBondContact OE2-NZ 2.59Å
216	M	91.3	Very high	91.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.178	C	C	.	.	I	π-helix	trans	-84.1	-35.8	179.4	-68.2	-53.9	-55.1	0	0	115.1	Y212 K214 Y220 P221 I249 M253 F331 V339 L343	Y212-M216 HydrophobicContact CD2-CG 3.87Å; Y212-M216 HydrophobicContact CE2-CB 4.45Å; Y212-M216 HydrophobicContact CE2-CG 3.3Å; Y212-M216 HydrophobicContact CE2-SD 4.31Å; Y212-M216 PolarHBondContact O-N 2.83Å; K214-M216 VanDerWaalsContact C-N 3.3Å; K214-M216 PolarHBondContact O-N 2.96Å; M216-Y220 HydrophobicContact CE-CD1 3.76Å; M216-Y220 HydrophobicContact CE-CE1 4.33Å; M216-Y220 HydrophobicContact CE-CG 4.5Å; M216-P221 WeakPolarHBondContact O-CD 3.34Å; M216-I249 HydrophobicContact CE-CG2 4.26Å; M216-M253 HydrophobicContact CB-CE 4.5Å; M216-M253 HydrophobicContact CB-CG 4.27Å; M216-F331 HydrophobicContact SD-CZ 4.2Å; M216-V339 HydrophobicContact CE-CG1 3.83Å; M216-V339 HydrophobicContact SD-CG1 4.26Å; M216-L343 HydrophobicContact CE-CD2 4.08Å
217	A	90.4	Very high	90.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-79.2	-30.4	-178.2	0	0	0	0	0	113.5	L213 K250 M253 V254	L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.32Å; A217-K250 WeakPolarHBondContact O-CG 3.42Å; A217-M253 HydrophobicContact CB-CB 3.75Å; A217-V254 HydrophobicContact CB-CG2 3.99Å
218	V	90.1	Very high	90.6	Very high	57 Å²	57	33.9 Å²	33.9	35%	0.345	16%	0.159	S	C	.	.	I	π-helix	trans	-121.8	-61.6	-170.2	-174.5	0	0	0	0	110.6	K214 P221 E222	K214-V218 WeakPolarHBondContact O-CB 3.27Å; K214-V218 PolarHBondContact O-N 3.42Å; V218-P221 WeakPolarHBondContact O-CD 3.45Å; V218-E222 WeakPolarHBondContact CG1-OE1 3.16Å; V218-E222 WeakPolarHBondContact O-CB 3.49Å; V218-E222 WeakPolarHBondContact O-CG 3.42Å; V218-E222 PolarHBondContact O-N 2.88Å
219	L	90.3	Very high	90.5	Very high	73 Å²	73	37.3 Å²	37.3	38%	0.382	17%	0.17	S	C	.	.	I	π-helix	trans	-69.3	-41.3	-167.7	-56.3	-178.2	0	0	0	113.1	K214 E215 Y223 F326 V330	K214-L219 PolarHBondContact O-N 3.41Å; E215-L219 HydrophobicContact CG-CD1 4.06Å; E215-L219 PolarHBondContact O-N 2.92Å; L219-Y223 VanDerWaalsContact O-CB 3.24Å; L219-Y223 WeakPolarHBondContact O-CB 3.45Å; L219-Y223 PolarHBondContact O-N 2.9Å; L219-F326 HydrophobicContact CB-CE2 4.02Å; L219-V330 HydrophobicContact CD1-CG1 4.3Å
220	Y	92	Very high	90	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-51.7	179.4	179	-128.3	0	0	0	112.4	E215 M216 E222 Y223 M224 V246 F319 T323 F326 V339	E215-Y220 WeakPolarHBondContact O-CB 3.21Å; E215-Y220 PolarHBondContact O-N 3.47Å; M216-Y220 HydrophobicContact CE-CD1 3.76Å; M216-Y220 HydrophobicContact CE-CE1 4.33Å; M216-Y220 HydrophobicContact CE-CG 4.5Å; Y220-E222 PolarHBondContact O-N 2.84Å; Y220-Y223 PolarHBondContact O-N 3.34Å; Y220-M224 HydrophobicContact CD2-CE 3.91Å; Y220-M224 HydrophobicContact CD2-CG 4.33Å; Y220-M224 HydrophobicContact CD2-SD 4.37Å; Y220-M224 HydrophobicContact CE2-CE 3.53Å; Y220-M224 HydrophobicContact CE2-CG 4.02Å; Y220-M224 HydrophobicContact CE2-SD 3.63Å; Y220-M224 WeakPolarHBondContact O-CG 3.38Å; Y220-M224 PolarHBondContact O-N 3.5Å; Y220-V246 HydrophobicContact CD1-CG1 3.86Å; Y220-V246 HydrophobicContact CE1-CB 4.38Å; Y220-V246 HydrophobicContact CE1-CG1 3.83Å; Y220-V246 HydrophobicContact CE1-CG2 3.74Å; Y220-F319 WeakPolarHBondContact OH-CZ 3.28Å; Y220-T323 HydrophobicContact CE2-CG2 3.97Å; Y220-T323 WeakPolarHBondContact OH-CG2 3.24Å; Y220-T323 PolarHBondContact OH-OG1 2.94Å; Y220-F326 VanDerWaalsContact CA-CE2 3.49Å; Y220-F326 HydrophobicContact CD2-CB 4.38Å; Y220-F326 AromaticContact CD2-CD1 3.59Å; Y220-F326 HydrophobicContact CD2-CD1 3.59Å; Y220-F326 HydrophobicContact CD2-CD2 4.2Å; Y220-F326 AromaticContact CD2-CE1 3.86Å; Y220-F326 HydrophobicContact CD2-CE1 3.86Å; Y220-F326 HydrophobicContact CD2-CE2 4.42Å; Y220-F326 AromaticContact CD2-CG 3.79Å; Y220-F326 HydrophobicContact CD2-CG 3.79Å; Y220-F326 HydrophobicContact CD2-CZ 4.28Å; Y220-F326 HydrophobicContact CE2-CD1 4.28Å; Y220-F326 HydrophobicContact CG-CD1 4.32Å; Y220-F326 HydrophobicContact CG-CE1 4.12Å; Y220-F326 HydrophobicContact CG-CZ 4.31Å; Y220-V339 HydrophobicContact CD1-CG1 4.42Å; Y220-V339 HydrophobicContact CD2-CG2 4.43Å; Y220-V339 HydrophobicContact CE1-CG1 3.95Å; Y220-V339 HydrophobicContact CE2-CG2 4.24Å
221	P	92.4	Very high	89.5	Confident	1 Å²	1	48 Å²	48	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-46.3	172.2	-24.7	32.4	0	0	0	113.7	M216 V218 Y223 M224 E225 V246 K250	M216-P221 WeakPolarHBondContact O-CD 3.34Å; V218-P221 WeakPolarHBondContact O-CD 3.45Å; P221-Y223 VanDerWaalsContact C-N 3.3Å; P221-Y223 PolarHBondContact O-N 2.95Å; P221-M224 PolarHBondContact O-N 2.94Å; P221-E225 PolarHBondContact O-N 3.24Å; P221-V246 HydrophobicContact CB-CG1 4.22Å; P221-V246 HydrophobicContact CG-CG1 3.95Å; P221-K250 HydrophobicContact CB-CD 3.9Å; P221-K250 HydrophobicContact CG-CB 4.02Å; P221-K250 HydrophobicContact CG-CD 3.83Å; P221-K250 HydrophobicContact CG-CG 4.16Å
222	E	91.3	Very high	89	Confident	66 Å²	66	48.1 Å²	48.1	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-35.4	177.8	-77.8	-170.8	-141.3	0	0	112.5	V218 Y220 E225 R226	V218-E222 WeakPolarHBondContact CG1-OE1 3.16Å; V218-E222 WeakPolarHBondContact O-CB 3.49Å; V218-E222 WeakPolarHBondContact O-CG 3.42Å; V218-E222 PolarHBondContact O-N 2.88Å; Y220-E222 PolarHBondContact O-N 2.84Å; E222-E225 PolarHBondContact O-N 2.79Å; E222-R226 WeakPolarHBondContact O-CB 3.16Å; E222-R226 WeakPolarHBondContact O-CD 3.48Å; E222-R226 WeakPolarHBondContact O-CG 3.31Å; E222-R226 PolarHBondContact O-N 2.94Å; E222-R226 IonicContact OE2-CZ 2.79Å; E222-R226 IonicContact OE2-NE 2.75Å; E222-R226 IonicContact OE2-NH2 3.99Å; E222-R226 PolarHBondContact OE2-NH2 3.46Å
223	Y	90.3	Very high	88.8	Confident	25 Å²	25	53.1 Å²	53.1	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-43.5	176.3	-167.5	-74.7	0	0	0	111.2	L219 Y220 P221 E225 R226 F227 A322 M325 F326 E329	L219-Y223 VanDerWaalsContact O-CB 3.24Å; L219-Y223 WeakPolarHBondContact O-CB 3.45Å; L219-Y223 PolarHBondContact O-N 2.9Å; Y220-Y223 PolarHBondContact O-N 3.34Å; P221-Y223 VanDerWaalsContact C-N 3.3Å; P221-Y223 PolarHBondContact O-N 2.95Å; Y223-E225 VanDerWaalsContact C-N 3.32Å; Y223-E225 PolarHBondContact O-N 3.45Å; Y223-R226 PolarHBondContact O-N 2.75Å; Y223-F227 HydrophobicContact CD1-CB 4.39Å; Y223-F227 HydrophobicContact CE1-CB 4.2Å; Y223-F227 AromaticContact CE1-CD2 3.79Å; Y223-F227 HydrophobicContact CE1-CD2 3.79Å; Y223-F227 HydrophobicContact CE1-CG 4.43Å; Y223-F227 VanDerWaalsContact O-CB 3.3Å; Y223-F227 WeakPolarHBondContact O-CB 3.48Å; Y223-F227 PolarHBondContact O-N 3.22Å; Y223-A322 WeakPolarHBondContact CE1-O 3.44Å; Y223-M325 HydrophobicContact CE1-CB 4.2Å; Y223-M325 VanDerWaalsContact OH-CB 3.31Å; Y223-M325 WeakPolarHBondContact OH-CB 3.42Å; Y223-F326 HydrophobicContact CD1-CB 3.93Å; Y223-F326 HydrophobicContact CD2-CD2 4.16Å; Y223-F326 HydrophobicContact CE1-CB 4.26Å; Y223-F326 HydrophobicContact CG-CB 4.11Å; Y223-F326 AromaticContact CG-CD2 3.88Å; Y223-F326 HydrophobicContact CG-CD2 3.88Å; Y223-F326 HydrophobicContact CG-CG 4.48Å; Y223-E329 WeakPolarHBondContact CE2-OE2 3.29Å; Y223-E329 PolarHBondContact OH-OE1 2.97Å
224	M	90.8	Very high	88.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-45.4	174.5	-62.8	-57.4	86	0	0	111.2	Y220 P221 F227 G228 L236 V246 F319 A322 F326	Y220-M224 HydrophobicContact CD2-CE 3.91Å; Y220-M224 HydrophobicContact CD2-CG 4.33Å; Y220-M224 HydrophobicContact CD2-SD 4.37Å; Y220-M224 HydrophobicContact CE2-CE 3.53Å; Y220-M224 HydrophobicContact CE2-CG 4.02Å; Y220-M224 HydrophobicContact CE2-SD 3.63Å; Y220-M224 WeakPolarHBondContact O-CG 3.38Å; Y220-M224 PolarHBondContact O-N 3.5Å; P221-M224 PolarHBondContact O-N 2.94Å; M224-F227 PolarHBondContact O-N 3.43Å; M224-G228 PolarHBondContact O-N 2.87Å; M224-L236 HydrophobicContact CB-CD1 4.23Å; M224-L236 HydrophobicContact CB-CD2 3.72Å; M224-L236 HydrophobicContact CB-CG 3.93Å; M224-L236 HydrophobicContact CG-CD2 4.12Å; M224-V246 HydrophobicContact CG-CG1 4.41Å; M224-F319 HydrophobicContact CG-CE2 4.46Å; M224-F319 HydrophobicContact SD-CD2 4.31Å; M224-F319 HydrophobicContact SD-CE2 3.96Å; M224-F319 HydrophobicContact SD-CZ 4.35Å; M224-A322 VanDerWaalsContact CE-C 3.5Å; M224-A322 HydrophobicContact CE-CB 3.77Å; M224-A322 WeakPolarHBondContact CE-O 3.28Å; M224-A322 HydrophobicContact SD-CB 4.04Å; M224-F326 HydrophobicContact CE-CB 4.45Å
225	E	90	Very high	88.4	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.4	-164.4	-162.2	136.7	0	0	112.1	P221 E222 Y223 K229 L236	P221-E225 PolarHBondContact O-N 3.24Å; E222-E225 PolarHBondContact O-N 2.79Å; Y223-E225 VanDerWaalsContact C-N 3.32Å; Y223-E225 PolarHBondContact O-N 3.45Å; E225-K229 HydrophobicContact CG-CD 4.38Å; E225-K229 WeakPolarHBondContact O-CB 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.49Å; E225-K229 PolarHBondContact O-N 2.86Å; E225-K229 IonicContact OE1-NZ 2.91Å; E225-K229 PolarHBondContact OE1-NZ 2.63Å; E225-L236 HydrophobicContact CB-CD1 4.05Å
226	R	87.6	Confident	88.3	Confident	154 Å²	154	55.2 Å²	55.2	58%	0.581	27%	0.272	S	S	*	.	H	α-helix	trans	-68.6	-30.1	177.4	-68.1	167.4	-167.9	-144.4	10.9	112.8	E222 Y223 R230	E222-R226 WeakPolarHBondContact O-CB 3.16Å; E222-R226 WeakPolarHBondContact O-CD 3.48Å; E222-R226 WeakPolarHBondContact O-CG 3.31Å; E222-R226 PolarHBondContact O-N 2.94Å; E222-R226 IonicContact OE2-CZ 2.79Å; E222-R226 IonicContact OE2-NE 2.75Å; E222-R226 IonicContact OE2-NH2 3.99Å; E222-R226 PolarHBondContact OE2-NH2 3.46Å; Y223-R226 PolarHBondContact O-N 2.75Å; R226-R230 WeakPolarHBondContact O-CG 3.42Å; R226-R230 PolarHBondContact O-N 2.99Å; R226-R230 PolarHBondContact O-NE 3.41Å
227	F	87.3	Confident	88	Confident	11 Å²	11	57.2 Å²	57.2	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-74.4	-48.5	174.2	-164.8	-74.9	0	0	0	110.4	Y223 M224 K229 R230 V231 L235 E321 A322 M325	Y223-F227 HydrophobicContact CD1-CB 4.39Å; Y223-F227 HydrophobicContact CE1-CB 4.2Å; Y223-F227 AromaticContact CE1-CD2 3.79Å; Y223-F227 HydrophobicContact CE1-CD2 3.79Å; Y223-F227 HydrophobicContact CE1-CG 4.43Å; Y223-F227 VanDerWaalsContact O-CB 3.3Å; Y223-F227 WeakPolarHBondContact O-CB 3.48Å; Y223-F227 PolarHBondContact O-N 3.22Å; M224-F227 PolarHBondContact O-N 3.43Å; F227-K229 VanDerWaalsContact C-N 3.31Å; F227-K229 PolarHBondContact O-N 3.25Å; F227-R230 WeakPolarHBondContact O-CA 3.28Å; F227-R230 WeakPolarHBondContact O-CB 3.37Å; F227-R230 PolarHBondContact O-N 3.03Å; F227-V231 HydrophobicContact CD1-CG2 3.86Å; F227-V231 HydrophobicContact CE1-CG2 3.63Å; F227-V231 PolarHBondContact O-N 3.11Å; F227-V231 VanDerWaalsContact O-N 3.16Å; F227-L235 HydrophobicContact CB-CD1 4.46Å; F227-L235 HydrophobicContact CD1-CD1 3.84Å; F227-E321 HydrophobicContact CZ-CB 4.46Å; F227-E321 HydrophobicContact CZ-CG 4.07Å; F227-A322 HydrophobicContact CB-CB 3.93Å; F227-A322 HydrophobicContact CD1-CB 3.53Å; F227-A322 HydrophobicContact CD2-CB 3.92Å; F227-A322 HydrophobicContact CE1-CB 3.92Å; F227-A322 HydrophobicContact CE2-CB 4.3Å; F227-A322 HydrophobicContact CG-CB 3.52Å; F227-A322 HydrophobicContact CZ-CB 4.3Å; F227-M325 HydrophobicContact CE2-CG 4.28Å
228	G	86.5	Confident	87.7	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-44.3	176.2	0	0	0	0	0	112.9	M224 R230 V231 G232 R233	M224-G228 PolarHBondContact O-N 2.87Å; G228-R230 VanDerWaalsContact C-N 3.27Å; G228-R230 PolarHBondContact O-N 2.87Å; G228-V231 CarbonylContact O-C 3.28Å; G228-V231 PolarHBondContact O-N 3.38Å; G228-G232 PolarHBondContact O-N 2.73Å; G228-R233 CarbonylContact C-O 3.56Å; G228-R233 WeakPolarHBondContact CA-O 3.49Å; G228-R233 PolarHBondContact O-N 2.92Å; G228-R233 VanDerWaalsContact O-O 3.09Å
229	K	86.3	Confident	87	Confident	153 Å²	153	61.3 Å²	61.3	67%	0.665	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-26.2	174.5	-75.7	173.3	176	175.6	0	114.5	E225 F227	E225-K229 HydrophobicContact CG-CD 4.38Å; E225-K229 WeakPolarHBondContact O-CB 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.49Å; E225-K229 PolarHBondContact O-N 2.86Å; E225-K229 IonicContact OE1-NZ 2.91Å; E225-K229 PolarHBondContact OE1-NZ 2.63Å; F227-K229 VanDerWaalsContact C-N 3.31Å; F227-K229 PolarHBondContact O-N 3.25Å
230	R	82.4	Confident	86.2	Confident	155 Å²	155	63 Å²	63	59%	0.585	32%	0.323	S	S	*	.	H	α-helix	trans	-78.6	-27.5	172.3	-74.5	-179.5	-72.2	165.1	-2.6	113.1	R226 F227 G228	R226-R230 WeakPolarHBondContact O-CG 3.42Å; R226-R230 PolarHBondContact O-N 2.99Å; R226-R230 PolarHBondContact O-NE 3.41Å; F227-R230 WeakPolarHBondContact O-CA 3.28Å; F227-R230 WeakPolarHBondContact O-CB 3.37Å; F227-R230 PolarHBondContact O-N 3.03Å; G228-R230 VanDerWaalsContact C-N 3.27Å; G228-R230 PolarHBondContact O-N 2.87Å
231	V	82.3	Confident	85.2	Confident	75 Å²	75	66.5 Å²	66.5	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-93.9	-9.5	179.9	-178.6	0	0	0	0	112.1	F227 G228 E318	F227-V231 HydrophobicContact CD1-CG2 3.86Å; F227-V231 HydrophobicContact CE1-CG2 3.63Å; F227-V231 PolarHBondContact O-N 3.11Å; F227-V231 VanDerWaalsContact O-N 3.16Å; G228-V231 CarbonylContact O-C 3.28Å; G228-V231 PolarHBondContact O-N 3.38Å; V231-E318 HydrophobicContact CG1-CG 4.3Å
232	G	82	Confident	84.3	Confident	75 Å²	75	72.9 Å²	72.9	77%	0.773	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	19.5	-177.9	0	0	0	0	0	114.1	G228	G228-G232 PolarHBondContact O-N 2.73Å
233	R	86.3	Confident	84	Confident	107 Å²	107	73.1 Å²	73.1	40%	0.404	39%	0.39	S	S	.	.	S	Bend	trans	-135.5	133.9	-172.7	-175.4	173.9	178.4	-116.9	-24.7	110.8	G228 L235 D316 E318	G228-R233 CarbonylContact C-O 3.56Å; G228-R233 WeakPolarHBondContact CA-O 3.49Å; G228-R233 PolarHBondContact O-N 2.92Å; G228-R233 VanDerWaalsContact O-O 3.09Å; R233-L235 PolarHBondContact O-N 2.82Å; R233-D316 IonicContact CZ-OD1 3.6Å; R233-D316 IonicContact CZ-OD2 3.54Å; R233-D316 IonicContact NH1-OD1 3.56Å; R233-D316 PolarHBondContact NH1-OD1 2.92Å; R233-D316 IonicContact NH1-OD2 3.58Å; R233-D316 PolarHBondContact NH1-OD2 3.18Å; R233-D316 IonicContact NH2-OD2 3.81Å; R233-D316 PolarHBondContact NH2-OD2 2.81Å; R233-E318 IonicContact CZ-OE2 3.72Å; R233-E318 IonicContact NH1-OE2 2.81Å; R233-E318 PolarHBondContact NH1-OE2 3.29Å
234	D	87.4	Confident	84.1	Confident	99 Å²	99	72.1 Å²	72.1	53%	0.529	39%	0.386	S	S	.	.			trans	-77.8	107.4	174.1	-175.8	11.1	0	0	0	111	L236 A237	D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 WeakPolarHBondContact OD1-CA 3.46Å; D234-L236 PolarHBondContact OD1-N 3.23Å; D234-A237 HydrophobicContact CB-CB 4.15Å; D234-A237 PolarHBondContact OD1-N 3.17Å; D234-A237 PolarHBondContact OD2-N 3.38Å
235	L	88.1	Confident	84.2	Confident	6 Å²	6	72.6 Å²	72.6	3%	0.031	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.4	176.5	-61.1	-179.6	0	0	0	113.3	F227 R233 N244 E318 F319 A322	F227-L235 HydrophobicContact CB-CD1 4.46Å; F227-L235 HydrophobicContact CD1-CD1 3.84Å; R233-L235 PolarHBondContact O-N 2.82Å; L235-N244 PolarHBondContact O-ND2 3.4Å; L235-N244 VanDerWaalsContact O-ND2 3.1Å; L235-E318 HydrophobicContact CD2-CB 3.99Å; L235-F319 HydrophobicContact CB-CD2 4.4Å; L235-A322 HydrophobicContact CD1-CB 3.77Å
236	L	88.5	Confident	84.3	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.099	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	4.2	176.8	-64.8	-179.9	0	0	0	113	M224 E225 D234 N244 V246 L247	M224-L236 HydrophobicContact CB-CD1 4.23Å; M224-L236 HydrophobicContact CB-CD2 3.72Å; M224-L236 HydrophobicContact CB-CG 3.93Å; M224-L236 HydrophobicContact CG-CD2 4.12Å; E225-L236 HydrophobicContact CB-CD1 4.05Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 WeakPolarHBondContact OD1-CA 3.46Å; D234-L236 PolarHBondContact OD1-N 3.23Å; L236-N244 VanDerWaalsContact O-CB 3.26Å; L236-N244 WeakPolarHBondContact O-CB 3.45Å; L236-V246 HydrophobicContact CD2-CB 3.8Å; L236-V246 HydrophobicContact CD2-CG1 3.9Å; L236-V246 HydrophobicContact CD2-CG2 4.33Å; L236-L247 HydrophobicContact CB-CD1 4.49Å; L236-L247 HydrophobicContact CD1-CD2 4.32Å
237	A	85.2	Confident	84.5	Confident	43 Å²	43	63.7 Å²	63.7	36%	0.355	36%	0.355	S	S	.	.	S	Bend	trans	-55.9	155.4	173.1	0	0	0	0	0	112.3	D234 H239 N244	D234-A237 HydrophobicContact CB-CB 4.15Å; D234-A237 PolarHBondContact OD1-N 3.17Å; D234-A237 PolarHBondContact OD2-N 3.38Å; A237-H239 PolarHBondContact O-N 3.16Å; A237-N244 PolarHBondContact O-ND2 2.68Å
238	S	84.1	Confident	84.7	Confident	88 Å²	88	65.4 Å²	65.4	62%	0.615	36%	0.364	S	S	*	.			trans	-58.3	127.5	174.9	-63.2	0	0	0	0	111	H242	S238-H242 CarbonylContact C-O 3.55Å; S238-H242 WeakPolarHBondContact CA-O 3.33Å; S238-H242 VanDerWaalsContact CB-O 3.31Å; S238-H242 WeakPolarHBondContact CB-O 3.42Å
239	H	76.9	Confident	84.9	Confident	54 Å²	54	65.3 Å²	65.3	25%	0.25	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-107.9	127.8	-177	174	77.8	0	0	0	109	A237 G241 H242 E315	A237-H239 PolarHBondContact O-N 3.16Å; H239-G241 PolarHBondContact O-N 2.73Å; H239-H242 PolarHBondContact N-O 2.95Å; H239-H242 PolarHBondContact O-N 3.04Å; H239-E315 IonicContact CE1-OE2 3.38Å; H239-E315 PolarHBondContact CE1-OE2 2.92Å; H239-E315 VanDerWaalsContact CE1-OE2 3.24Å; H239-E315 IonicContact NE2-OE2 3.5Å
240	N	73.2	Confident	85.2	Confident	109 Å²	109	61.5 Å²	61.5	58%	0.583	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.6	-176.7	-59.6	-21.3	0	0	0	113.6	H242	N240-H242 VanDerWaalsContact C-N 3.25Å; N240-H242 PolarHBondContact O-CD2 2.83Å; N240-H242 PolarHBondContact O-N 3.31Å
241	G	70.8	Confident	85.6	Confident	74 Å²	74	59.5 Å²	59.5	76%	0.763	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-1.2	-179.9	0	0	0	0	0	115.5	H239	H239-G241 PolarHBondContact O-N 2.73Å
242	H	73.8	Confident	86	Confident	136 Å²	136	57 Å²	57	63%	0.63	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-113.1	156.4	-178.9	-61.8	-61.5	0	0	0	112.3	S238 H239 N240 N244	S238-H242 CarbonylContact C-O 3.55Å; S238-H242 WeakPolarHBondContact CA-O 3.33Å; S238-H242 VanDerWaalsContact CB-O 3.31Å; S238-H242 WeakPolarHBondContact CB-O 3.42Å; H239-H242 PolarHBondContact N-O 2.95Å; H239-H242 PolarHBondContact O-N 3.04Å; N240-H242 VanDerWaalsContact C-N 3.25Å; N240-H242 PolarHBondContact O-CD2 2.83Å; N240-H242 PolarHBondContact O-N 3.31Å; H242-N244 PolarHBondContact O-N 2.83Å
243	E	85.5	Confident	86.5	Confident	71 Å²	71	53.5 Å²	53.5	33%	0.332	29%	0.289	S	S	.	.			trans	-56.4	138.2	174.1	175.1	170.6	-121.1	0	0	111	V245 L247 Q248 K251	E243-V245 PolarHBondContact O-N 3.05Å; E243-L247 HydrophobicContact CG-CB 3.84Å; E243-L247 HydrophobicContact CG-CD1 4.35Å; E243-Q248 HydrophobicContact CB-CG 4.39Å; E243-Q248 HydrophobicContact CG-CG 4.15Å; E243-Q248 PolarHBondContact O-NE2 2.9Å; E243-K251 WeakPolarHBondContact OE1-CE 3.17Å; E243-K251 IonicContact OE1-NZ 3.55Å; E243-K251 PolarHBondContact OE1-NZ 3.21Å; E243-K251 WeakPolarHBondContact OE2-CE 3.46Å; E243-K251 IonicContact OE2-NZ 2.63Å; E243-K251 PolarHBondContact OE2-NZ 3Å
244	N	91.8	Very high	86.6	Confident	4 Å²	4	52 Å²	52	2%	0.021	29%	0.291	C	S	.	.			trans	-56.2	136.5	-178.9	-167.9	-67.2	0	0	0	112.5	L235 L236 A237 H242 V246 L247 Q248	L235-N244 PolarHBondContact O-ND2 3.4Å; L235-N244 VanDerWaalsContact O-ND2 3.1Å; L236-N244 VanDerWaalsContact O-CB 3.26Å; L236-N244 WeakPolarHBondContact O-CB 3.45Å; A237-N244 PolarHBondContact O-ND2 2.68Å; H242-N244 PolarHBondContact O-N 2.83Å; N244-V246 PolarHBondContact O-N 2.77Å; N244-V246 VanDerWaalsContact O-N 3.13Å; N244-V246 WeakPolarHBondContact OD1-CB 3.42Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.49Å; N244-V246 PolarHBondContact OD1-N 3.45Å; N244-L247 HydrophobicContact CB-CD1 4.21Å; N244-L247 HydrophobicContact CB-CG 4.24Å; N244-L247 WeakPolarHBondContact O-CA 3.42Å; N244-L247 WeakPolarHBondContact O-CB 3.39Å; N244-L247 PolarHBondContact O-N 2.84Å; N244-Q248 PolarHBondContact O-N 2.96Å; N244-Q248 VanDerWaalsContact O-N 3.08Å
245	V	91.7	Very high	86.6	Confident	9 Å²	9	53 Å²	53	6%	0.055	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-32.8	-177	66.7	0	0	0	0	113	E243 L247 Q248 I249 F305 K308 L309 L312	E243-V245 PolarHBondContact O-N 3.05Å; V245-L247 VanDerWaalsContact C-N 3.33Å; V245-L247 PolarHBondContact O-N 3.48Å; V245-Q248 PolarHBondContact O-N 3.01Å; V245-I249 HydrophobicContact CG2-CD1 4.08Å; V245-I249 WeakPolarHBondContact O-CD1 3.47Å; V245-I249 VanDerWaalsContact O-CG1 3.29Å; V245-I249 WeakPolarHBondContact O-CG1 3.29Å; V245-I249 PolarHBondContact O-N 2.85Å; V245-F305 HydrophobicContact CG2-CB 4.38Å; V245-F305 HydrophobicContact CG2-CD1 4.15Å; V245-K308 HydrophobicContact CB-CB 4.13Å; V245-K308 HydrophobicContact CG2-CB 3.81Å; V245-L309 HydrophobicContact CG1-CB 4.28Å; V245-L309 HydrophobicContact CG1-CD1 3.97Å; V245-L312 HydrophobicContact CG1-CD2 4.12Å
246	V	92.6	Very high	86.8	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-36.5	176.7	-178.1	0	0	0	0	111.4	Y220 P221 M224 L236 N244 K250 F319	Y220-V246 HydrophobicContact CD1-CG1 3.86Å; Y220-V246 HydrophobicContact CE1-CB 4.38Å; Y220-V246 HydrophobicContact CE1-CG1 3.83Å; Y220-V246 HydrophobicContact CE1-CG2 3.74Å; P221-V246 HydrophobicContact CB-CG1 4.22Å; P221-V246 HydrophobicContact CG-CG1 3.95Å; M224-V246 HydrophobicContact CG-CG1 4.41Å; L236-V246 HydrophobicContact CD2-CB 3.8Å; L236-V246 HydrophobicContact CD2-CG1 3.9Å; L236-V246 HydrophobicContact CD2-CG2 4.33Å; N244-V246 PolarHBondContact O-N 2.77Å; N244-V246 VanDerWaalsContact O-N 3.13Å; N244-V246 WeakPolarHBondContact OD1-CB 3.42Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.49Å; N244-V246 PolarHBondContact OD1-N 3.45Å; V246-K250 VanDerWaalsContact O-CB 3.32Å; V246-K250 WeakPolarHBondContact O-CB 3.45Å; V246-K250 PolarHBondContact O-N 2.88Å; V246-F319 HydrophobicContact CG2-CE2 3.79Å; V246-F319 HydrophobicContact CG2-CZ 3.6Å
247	L	91.8	Very high	87	Confident	45 Å²	45	52.7 Å²	52.7	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-74.2	-37.1	176.6	-61.8	178.4	0	0	0	111.8	L236 E243 N244 V245 K250 K251	L236-L247 HydrophobicContact CB-CD1 4.49Å; L236-L247 HydrophobicContact CD1-CD2 4.32Å; E243-L247 HydrophobicContact CG-CB 3.84Å; E243-L247 HydrophobicContact CG-CD1 4.35Å; N244-L247 HydrophobicContact CB-CD1 4.21Å; N244-L247 HydrophobicContact CB-CG 4.24Å; N244-L247 WeakPolarHBondContact O-CA 3.42Å; N244-L247 WeakPolarHBondContact O-CB 3.39Å; N244-L247 PolarHBondContact O-N 2.84Å; V245-L247 VanDerWaalsContact C-N 3.33Å; V245-L247 PolarHBondContact O-N 3.48Å; L247-K250 HydrophobicContact CD2-CD 4.35Å; L247-K250 WeakPolarHBondContact O-CB 2.93Å; L247-K250 PolarHBondContact O-N 2.86Å; L247-K251 WeakPolarHBondContact O-CG 3.31Å; L247-K251 PolarHBondContact O-N 3.27Å
248	Q	91.6	Very high	87.2	Confident	47 Å²	47	53.3 Å²	53.3	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-47.2	172.2	-60.6	-177.1	29.8	0	0	111.2	E243 N244 V245 K251 I252 F305	E243-Q248 HydrophobicContact CB-CG 4.39Å; E243-Q248 HydrophobicContact CG-CG 4.15Å; E243-Q248 PolarHBondContact O-NE2 2.9Å; N244-Q248 PolarHBondContact O-N 2.96Å; N244-Q248 VanDerWaalsContact O-N 3.08Å; V245-Q248 PolarHBondContact O-N 3.01Å; Q248-K251 PolarHBondContact O-N 3.28Å; Q248-I252 PolarHBondContact O-N 3.38Å; Q248-F305 HydrophobicContact CB-CE1 3.86Å
249	I	91.9	Very high	87.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-48.1	175.1	-67.4	162.9	0	0	0	110.4	M216 V245 K251 I252 M253 F305 L343	M216-I249 HydrophobicContact CE-CG2 4.26Å; V245-I249 HydrophobicContact CG2-CD1 4.08Å; V245-I249 WeakPolarHBondContact O-CD1 3.47Å; V245-I249 VanDerWaalsContact O-CG1 3.29Å; V245-I249 WeakPolarHBondContact O-CG1 3.29Å; V245-I249 PolarHBondContact O-N 2.85Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 2.91Å; I249-I252 PolarHBondContact O-N 3.32Å; I249-I252 VanDerWaalsContact O-N 3.17Å; I249-M253 HydrophobicContact CG2-CE 4Å; I249-M253 HydrophobicContact CG2-CG 3.86Å; I249-M253 VanDerWaalsContact O-CG 3.31Å; I249-M253 WeakPolarHBondContact O-CG 3.23Å; I249-M253 PolarHBondContact O-N 3.49Å; I249-F305 HydrophobicContact CD1-CB 4.23Å; I249-F305 HydrophobicContact CG1-CB 4.19Å; I249-F305 HydrophobicContact CG1-CD1 4.22Å; I249-F305 HydrophobicContact CG1-CD2 4.28Å; I249-F305 HydrophobicContact CG1-CG 3.99Å; I249-L343 HydrophobicContact CD1-CD1 4.5Å; I249-L343 HydrophobicContact CD1-CD2 4.15Å
250	K	91.9	Very high	88.3	Confident	73 Å²	73	47.3 Å²	47.3	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-51.3	-50.2	176.9	176.9	175.9	-166.5	174.7	0	112	A217 P221 V246 L247 I252 M253 V254	A217-K250 WeakPolarHBondContact O-CG 3.42Å; P221-K250 HydrophobicContact CB-CD 3.9Å; P221-K250 HydrophobicContact CG-CB 4.02Å; P221-K250 HydrophobicContact CG-CD 3.83Å; P221-K250 HydrophobicContact CG-CG 4.16Å; V246-K250 VanDerWaalsContact O-CB 3.32Å; V246-K250 WeakPolarHBondContact O-CB 3.45Å; V246-K250 PolarHBondContact O-N 2.88Å; L247-K250 HydrophobicContact CD2-CD 4.35Å; L247-K250 WeakPolarHBondContact O-CB 2.93Å; L247-K250 PolarHBondContact O-N 2.86Å; K250-I252 VanDerWaalsContact C-N 3.25Å; K250-I252 PolarHBondContact O-N 3.22Å; K250-M253 PolarHBondContact O-N 2.8Å; K250-V254 HydrophobicContact CG-CG2 4.35Å; K250-V254 WeakPolarHBondContact O-CB 3.26Å; K250-V254 VanDerWaalsContact O-CG2 3.28Å; K250-V254 WeakPolarHBondContact O-CG2 3.41Å; K250-V254 PolarHBondContact O-N 3.44Å
251	K	90.4	Very high	89.3	Confident	113 Å²	113	45.8 Å²	45.8	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-56.5	-36.2	-178.6	-78	176.8	-179.1	174.4	0	113.3	E243 L247 Q248 I249 Q255	E243-K251 WeakPolarHBondContact OE1-CE 3.17Å; E243-K251 IonicContact OE1-NZ 3.55Å; E243-K251 PolarHBondContact OE1-NZ 3.21Å; E243-K251 WeakPolarHBondContact OE2-CE 3.46Å; E243-K251 IonicContact OE2-NZ 2.63Å; E243-K251 PolarHBondContact OE2-NZ 3Å; L247-K251 WeakPolarHBondContact O-CG 3.31Å; L247-K251 PolarHBondContact O-N 3.27Å; Q248-K251 PolarHBondContact O-N 3.28Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 2.91Å; K251-Q255 WeakPolarHBondContact O-CG 3.26Å; K251-Q255 PolarHBondContact O-NE2 3.02Å
252	I	90.7	Very high	90.2	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-86	-40.6	-179.5	-51.6	174.3	0	0	0	111.1	Q248 I249 K250 V254 Q255 I256 P297 F298 F305	Q248-I252 PolarHBondContact O-N 3.38Å; I249-I252 PolarHBondContact O-N 3.32Å; I249-I252 VanDerWaalsContact O-N 3.17Å; K250-I252 VanDerWaalsContact C-N 3.25Å; K250-I252 PolarHBondContact O-N 3.22Å; I252-V254 VanDerWaalsContact C-N 3.27Å; I252-V254 PolarHBondContact O-N 3.35Å; I252-Q255 WeakPolarHBondContact O-CB 3.27Å; I252-Q255 PolarHBondContact O-N 2.94Å; I252-I256 HydrophobicContact CG2-CD1 4.03Å; I252-I256 PolarHBondContact O-N 3.04Å; I252-I256 VanDerWaalsContact O-N 3.13Å; I252-P297 HydrophobicContact CG2-CB 4.4Å; I252-F298 HydrophobicContact CG2-CB 3.76Å; I252-F305 HydrophobicContact CD1-CE2 3.82Å; I252-F305 HydrophobicContact CD1-CZ 3.6Å
253	M	91.6	Very high	91.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-35.8	177.3	-64.8	-63.3	-175	0	0	112.3	Y212 L213 M216 A217 I249 K250 Q255 I256 L257 F298 V346	Y212-M253 HydrophobicContact CE1-CE 4.42Å; Y212-M253 VanDerWaalsContact OH-CE 3.24Å; Y212-M253 WeakPolarHBondContact OH-CE 3.33Å; L213-M253 HydrophobicContact CD2-SD 3.6Å; M216-M253 HydrophobicContact CB-CE 4.5Å; M216-M253 HydrophobicContact CB-CG 4.27Å; A217-M253 HydrophobicContact CB-CB 3.75Å; I249-M253 HydrophobicContact CG2-CE 4Å; I249-M253 HydrophobicContact CG2-CG 3.86Å; I249-M253 VanDerWaalsContact O-CG 3.31Å; I249-M253 WeakPolarHBondContact O-CG 3.23Å; I249-M253 PolarHBondContact O-N 3.49Å; K250-M253 PolarHBondContact O-N 2.8Å; M253-Q255 PolarHBondContact O-N 3.16Å; M253-I256 PolarHBondContact O-N 2.96Å; M253-L257 VanDerWaalsContact O-CB 3.3Å; M253-L257 WeakPolarHBondContact O-CB 3.32Å; M253-L257 PolarHBondContact O-N 2.87Å; M253-F298 HydrophobicContact CE-CD2 3.81Å; M253-F298 HydrophobicContact CE-CE1 4.32Å; M253-F298 HydrophobicContact CE-CE2 3.41Å; M253-F298 VanDerWaalsContact CE-CE2 3.41Å; M253-F298 HydrophobicContact CE-CG 4.42Å; M253-F298 HydrophobicContact CE-CZ 3.69Å; M253-V346 HydrophobicContact CE-CG2 3.81Å; M253-V346 HydrophobicContact SD-CG2 4.07Å
254	V	89.1	Confident	91.6	Very high	75 Å²	75	35.8 Å²	35.8	46%	0.455	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-24.9	173.5	170.4	0	0	0	0	112.9	A217 K250 I252 P258	A217-V254 HydrophobicContact CB-CG2 3.99Å; K250-V254 HydrophobicContact CG-CG2 4.35Å; K250-V254 WeakPolarHBondContact O-CB 3.26Å; K250-V254 VanDerWaalsContact O-CG2 3.28Å; K250-V254 WeakPolarHBondContact O-CG2 3.41Å; K250-V254 PolarHBondContact O-N 3.44Å; I252-V254 VanDerWaalsContact C-N 3.27Å; I252-V254 PolarHBondContact O-N 3.35Å; V254-P258 WeakPolarHBondContact O-CD 3.49Å
255	Q	88	Confident	91.7	Very high	121 Å²	121	41.4 Å²	41.4	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-82.7	-34	174.8	-63.9	169.7	44.4	0	0	112.2	K251 I252 M253	K251-Q255 WeakPolarHBondContact O-CG 3.26Å; K251-Q255 PolarHBondContact O-NE2 3.02Å; I252-Q255 WeakPolarHBondContact O-CB 3.27Å; I252-Q255 PolarHBondContact O-N 2.94Å; M253-Q255 PolarHBondContact O-N 3.16Å
256	I	92.1	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.2	-43.2	178.8	-64.2	169.6	0	0	0	111	L213 I252 M253 I259 H260 C294 F298 V346	L213-I256 HydrophobicContact CD1-CG2 3.91Å; L213-I256 HydrophobicContact CD2-CB 4.44Å; L213-I256 HydrophobicContact CD2-CG2 3.94Å; I252-I256 HydrophobicContact CG2-CD1 4.03Å; I252-I256 PolarHBondContact O-N 3.04Å; I252-I256 VanDerWaalsContact O-N 3.13Å; M253-I256 PolarHBondContact O-N 2.96Å; I256-I259 PolarHBondContact O-N 3.26Å; I256-H260 PolarHBondContact O-CD2 3.27Å; I256-H260 PolarHBondContact O-N 3.33Å; I256-C294 WeakPolarHBondContact CG1-O 3.32Å; I256-F298 HydrophobicContact CD1-CB 3.89Å; I256-V346 HydrophobicContact CD1-CG1 4.46Å
257	L	92.2	Very high	91.8	Very high	18 Å²	18	44 Å²	44	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-51.4	-50.6	-172	173.1	63.4	0	0	0	114.4	V210 L213 K214 M253 I259 H260 E261	V210-L257 HydrophobicContact CG1-CD1 4.16Å; L213-L257 HydrophobicContact CB-CB 4.28Å; L213-L257 HydrophobicContact CB-CD1 3.74Å; K214-L257 HydrophobicContact CG-CD1 3.86Å; K214-L257 HydrophobicContact CG-CD2 3.92Å; M253-L257 VanDerWaalsContact O-CB 3.3Å; M253-L257 WeakPolarHBondContact O-CB 3.32Å; M253-L257 PolarHBondContact O-N 2.87Å; L257-I259 VanDerWaalsContact C-N 3.29Å; L257-I259 PolarHBondContact O-N 2.82Å; L257-H260 CarbonylContact O-C 3.59Å; L257-H260 PolarHBondContact O-N 2.85Å; L257-H260 VanDerWaalsContact O-N 3.09Å; L257-E261 HydrophobicContact CD1-CG 3.75Å; L257-E261 HydrophobicContact CG-CG 4.24Å; L257-E261 PolarHBondContact O-N 3Å
258	P	89.4	Confident	91.9	Very high	57 Å²	57	45.4 Å²	45.4	37%	0.37	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-32.7	-176.4	-24.8	35.4	0	0	0	114	V254 E261 M262	V254-P258 WeakPolarHBondContact O-CD 3.49Å; P258-E261 PolarHBondContact O-N 3.31Å; P258-M262 WeakPolarHBondContact O-CG 3.29Å; P258-M262 PolarHBondContact O-N 2.78Å
259	I	90.8	Very high	91.9	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-40.2	177.8	-66.1	167.1	0	0	0	109.9	I256 L257 M262 L263 F291 C294 I635	I256-I259 PolarHBondContact O-N 3.26Å; L257-I259 VanDerWaalsContact C-N 3.29Å; L257-I259 PolarHBondContact O-N 2.82Å; I259-M262 PolarHBondContact O-N 3.35Å; I259-L263 PolarHBondContact O-N 3.22Å; I259-F291 HydrophobicContact CG2-CB 4.14Å; I259-C294 HydrophobicContact CD1-CB 3.38Å; I259-I635 HydrophobicContact CD1-CD1 3.95Å; I259-I635 HydrophobicContact CG1-CD1 3.49Å; I259-I635 VanDerWaalsContact CG1-CD1 3.49Å
260	H	94.1	Very high	92	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-77.6	-28.7	177.2	-72.5	-85.7	0	0	0	112.7	Q206 Y209 V210 L213 I256 L257 L263 L264 L292 Y353	Q206-H260 PolarHBondContact NE2-ND1 2.87Å; Q206-H260 PolarHBondContact NE2-O 3.25Å; Y209-H260 AromaticContact CD1-ND1 3.57Å; Y209-H260 AromaticContact CE1-CD2 3.98Å; Y209-H260 AromaticContact CE1-CE1 3.52Å; Y209-H260 AromaticContact CE1-CG 3.71Å; Y209-H260 AromaticContact CE1-ND1 3.4Å; Y209-H260 WeakPolarHBondContact CE1-ND1 3.25Å; Y209-H260 AromaticContact CE1-NE2 3.85Å; V210-H260 VanDerWaalsContact CG2-C 3.48Å; V210-H260 HydrophobicContact CG2-CB 3.9Å; V210-H260 VanDerWaalsContact CG2-O 3.3Å; V210-H260 WeakPolarHBondContact CG2-O 3.48Å; L213-H260 HydrophobicContact CD1-CB 3.83Å; I256-H260 PolarHBondContact O-CD2 3.27Å; I256-H260 PolarHBondContact O-N 3.33Å; L257-H260 CarbonylContact O-C 3.59Å; L257-H260 PolarHBondContact O-N 2.85Å; L257-H260 VanDerWaalsContact O-N 3.09Å; H260-L263 PolarHBondContact O-N 2.99Å; H260-L264 WeakPolarHBondContact O-CB 3.31Å; H260-L264 PolarHBondContact O-N 3.14Å; H260-L292 VanDerWaalsContact CE1-CD2 3.47Å; H260-L292 WeakPolarHBondContact CE1-CD2 3.4Å; H260-Y353 AromaticContact CE1-CZ 3.96Å; H260-Y353 PolarHBondContact CE1-OH 2.85Å; H260-Y353 PolarHBondContact ND1-OH 3.02Å
261	E	93.6	Very high	92	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-40.9	167.9	-72	-168.9	115.9	0	0	112.2	V210 K214 L257 P258 L264 K265	V210-E261 HydrophobicContact CG1-CG 3.77Å; V210-E261 HydrophobicContact CG2-CG 4.48Å; K214-E261 WeakPolarHBondContact CE-OE1 3.28Å; K214-E261 IonicContact NZ-OE1 3.06Å; K214-E261 PolarHBondContact NZ-OE1 2.95Å; L257-E261 HydrophobicContact CD1-CG 3.75Å; L257-E261 HydrophobicContact CG-CG 4.24Å; L257-E261 PolarHBondContact O-N 3Å; P258-E261 PolarHBondContact O-N 3.31Å; E261-L264 PolarHBondContact O-N 2.85Å; E261-K265 PolarHBondContact O-N 2.92Å
262	M	89.8	Confident	92	Very high	39 Å²	39	45.5 Å²	45.5	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-43.4	172.3	-75.3	172.2	47.9	0	0	112.1	P258 I259 L264 K265 E266 F288 N634 I636	P258-M262 WeakPolarHBondContact O-CG 3.29Å; P258-M262 PolarHBondContact O-N 2.78Å; I259-M262 PolarHBondContact O-N 3.35Å; M262-L264 VanDerWaalsContact C-N 3.33Å; M262-K265 PolarHBondContact O-N 3.27Å; M262-E266 PolarHBondContact O-N 2.91Å; M262-E266 VanDerWaalsContact O-N 3.14Å; M262-F288 HydrophobicContact CB-CE1 3.78Å; M262-F288 HydrophobicContact CB-CZ 3.98Å; M262-F288 HydrophobicContact CE-CE1 4.39Å; M262-N634 HydrophobicContact CE-CB 3.8Å; M262-N634 VanDerWaalsContact CE-OD1 3.28Å; M262-N634 WeakPolarHBondContact CE-OD1 3.4Å; M262-N634 HydrophobicContact SD-CB 3.76Å; M262-I636 HydrophobicContact CE-CB 4.32Å; M262-I636 HydrophobicContact CE-CD1 3.78Å; M262-I636 HydrophobicContact CE-CG1 3.87Å
263	L	94.2	Very high	91.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-39.4	177.2	177.4	55.2	0	0	0	111.4	Q206 I259 H260 E266 I267 T284 I285 F288 Y353	Q206-L263 HydrophobicContact CG-CG 4.37Å; I259-L263 PolarHBondContact O-N 3.22Å; H260-L263 PolarHBondContact O-N 2.99Å; L263-E266 PolarHBondContact O-N 3.25Å; L263-I267 HydrophobicContact CD1-CD1 3.6Å; L263-I267 HydrophobicContact CD1-CG1 3.94Å; L263-I267 HydrophobicContact CG-CD1 3.74Å; L263-I267 HydrophobicContact CG-CG1 4.47Å; L263-I267 WeakPolarHBondContact O-CB 3.21Å; L263-I267 VanDerWaalsContact O-CG1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 2.77Å; L263-T284 HydrophobicContact CD1-CG2 4.44Å; L263-I285 HydrophobicContact CD1-CD1 4.17Å; L263-F288 VanDerWaalsContact CA-CE1 3.46Å; L263-F288 HydrophobicContact CB-CD1 3.63Å; L263-F288 HydrophobicContact CB-CE1 3.61Å; L263-F288 HydrophobicContact CB-CG 4.17Å; L263-F288 HydrophobicContact CB-CZ 4.13Å; L263-F288 HydrophobicContact CD1-CB 3.9Å; L263-F288 HydrophobicContact CD1-CD1 4.04Å; L263-F288 HydrophobicContact CD1-CD2 3.75Å; L263-F288 HydrophobicContact CD1-CE1 4.45Å; L263-F288 HydrophobicContact CD1-CE2 4.19Å; L263-F288 HydrophobicContact CD1-CG 3.65Å; L263-F288 HydrophobicContact CD2-CB 4.41Å; L263-F288 HydrophobicContact CG-CD1 4.27Å; L263-F288 HydrophobicContact CG-CG 4.34Å; L263-F288 VanDerWaalsContact N-CE1 3.27Å; L263-Y353 HydrophobicContact CD2-CE1 3.91Å
264	L	95.6	Very high	91.9	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-48.6	173.5	-178.7	56.6	0	0	0	110.9	L203 Q206 N207 V210 H260 E261 M262 E266 I267 D268	L203-L264 HydrophobicContact CD1-CD1 3.68Å; Q206-L264 HydrophobicContact CB-CD1 4.15Å; Q206-L264 HydrophobicContact CG-CB 3.76Å; Q206-L264 HydrophobicContact CG-CD1 3.9Å; Q206-L264 HydrophobicContact CG-CG 4.41Å; N207-L264 HydrophobicContact CB-CD1 3.99Å; V210-L264 HydrophobicContact CB-CD2 4.02Å; V210-L264 HydrophobicContact CG1-CD2 4.04Å; V210-L264 HydrophobicContact CG2-CB 4.12Å; V210-L264 HydrophobicContact CG2-CD2 4.04Å; H260-L264 WeakPolarHBondContact O-CB 3.31Å; H260-L264 PolarHBondContact O-N 3.14Å; E261-L264 PolarHBondContact O-N 2.85Å; M262-L264 VanDerWaalsContact C-N 3.33Å; L264-E266 PolarHBondContact O-N 3.3Å; L264-I267 PolarHBondContact O-N 3.26Å; L264-D268 WeakPolarHBondContact O-CB 3.21Å; L264-D268 PolarHBondContact O-N 2.7Å
265	K	93.1	Very high	91.9	Very high	123 Å²	123	49.6 Å²	49.6	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-40.4	-179.4	-173.3	-179.9	177.8	-176.4	0	113.3	E261 M262 K269	E261-K265 PolarHBondContact O-N 2.92Å; M262-K265 PolarHBondContact O-N 3.27Å; K265-K269 VanDerWaalsContact O-CB 3.23Å; K265-K269 WeakPolarHBondContact O-CB 3.12Å; K265-K269 PolarHBondContact O-N 3.33Å; K265-K269 VanDerWaalsContact O-N 3.1Å
266	E	92.3	Very high	92	Very high	64 Å²	64	43.9 Å²	43.9	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-79	-29.4	178.6	-64.6	-61.1	139.5	0	0	113	M262 L263 L264 K269 V270 T284 F288	M262-E266 PolarHBondContact O-N 2.91Å; M262-E266 VanDerWaalsContact O-N 3.14Å; L263-E266 PolarHBondContact O-N 3.25Å; L264-E266 PolarHBondContact O-N 3.3Å; E266-K269 IonicContact OE1-NZ 3.62Å; E266-K269 IonicContact OE2-NZ 2.67Å; E266-K269 PolarHBondContact OE2-NZ 3.4Å; E266-V270 WeakPolarHBondContact O-CG2 3.27Å; E266-V270 PolarHBondContact O-N 3.39Å; E266-T284 HydrophobicContact CB-CG2 3.89Å; E266-F288 HydrophobicContact CB-CE2 4.22Å; E266-F288 HydrophobicContact CG-CE2 4.22Å; E266-F288 HydrophobicContact CG-CZ 4.35Å
267	I	94.7	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.9	-47	169.7	-69.8	168	0	0	0	110.5	F202 L203 Q206 L263 L264 K269 V270 C271 M281 T284 I285	F202-I267 HydrophobicContact CB-CD1 4.36Å; F202-I267 HydrophobicContact CB-CG2 4.08Å; L203-I267 HydrophobicContact CB-CG2 3.87Å; L203-I267 HydrophobicContact CD1-CG2 4.25Å; Q206-I267 HydrophobicContact CB-CD1 4.06Å; Q206-I267 HydrophobicContact CG-CD1 4.06Å; L263-I267 HydrophobicContact CD1-CD1 3.6Å; L263-I267 HydrophobicContact CD1-CG1 3.94Å; L263-I267 HydrophobicContact CG-CD1 3.74Å; L263-I267 HydrophobicContact CG-CG1 4.47Å; L263-I267 WeakPolarHBondContact O-CB 3.21Å; L263-I267 VanDerWaalsContact O-CG1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 2.77Å; L264-I267 PolarHBondContact O-N 3.26Å; I267-K269 VanDerWaalsContact C-N 3.34Å; I267-K269 PolarHBondContact O-N 2.98Å; I267-V270 WeakPolarHBondContact O-CA 3.44Å; I267-V270 WeakPolarHBondContact O-CB 3.14Å; I267-V270 PolarHBondContact O-N 2.88Å; I267-C271 PolarHBondContact O-N 3.47Å; I267-C271 PolarHBondContact O-SG 2.84Å; I267-M281 HydrophobicContact CG1-SD 4.18Å; I267-M281 HydrophobicContact CG2-CE 4.05Å; I267-M281 HydrophobicContact CG2-SD 4.39Å; I267-T284 HydrophobicContact CG1-CG2 4.03Å; I267-I285 HydrophobicContact CD1-CD1 3.69Å; I267-I285 HydrophobicContact CG1-CD1 3.97Å
268	D	94.1	Very high	91.6	Very high	75 Å²	75	57.9 Å²	57.9	40%	0.401	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-43.6	179.3	-179.3	71	0	0	0	112	L203 L264 V270 C271 S272	L203-D268 HydrophobicContact CD1-CB 3.87Å; L264-D268 WeakPolarHBondContact O-CB 3.21Å; L264-D268 PolarHBondContact O-N 2.7Å; D268-V270 VanDerWaalsContact C-N 3.34Å; D268-V270 PolarHBondContact O-N 2.74Å; D268-C271 PolarHBondContact O-N 3.41Å; D268-S272 VanDerWaalsContact O-CB 3.27Å; D268-S272 WeakPolarHBondContact O-CB 3.34Å; D268-S272 PolarHBondContact O-N 3.25Å; D268-S272 PolarHBondContact O-OG 3.4Å
269	K	91.4	Very high	91.8	Very high	113 Å²	113	56.5 Å²	56.5	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-35.7	172.6	173.8	179.9	157.7	-154.4	0	113.3	K265 E266 I267 N273	K265-K269 VanDerWaalsContact O-CB 3.23Å; K265-K269 WeakPolarHBondContact O-CB 3.12Å; K265-K269 PolarHBondContact O-N 3.33Å; K265-K269 VanDerWaalsContact O-N 3.1Å; E266-K269 IonicContact OE1-NZ 3.62Å; E266-K269 IonicContact OE2-NZ 2.67Å; E266-K269 PolarHBondContact OE2-NZ 3.4Å; I267-K269 VanDerWaalsContact C-N 3.34Å; I267-K269 PolarHBondContact O-N 2.98Å; K269-N273 PolarHBondContact O-ND2 3.12Å
270	V	93.4	Very high	91.9	Very high	18 Å²	18	58.9 Å²	58.9	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-68.9	-49.4	173.1	158.4	0	0	0	0	110.9	E266 I267 D268 S272 N273 W274 N280 M281	E266-V270 WeakPolarHBondContact O-CG2 3.27Å; E266-V270 PolarHBondContact O-N 3.39Å; I267-V270 WeakPolarHBondContact O-CA 3.44Å; I267-V270 WeakPolarHBondContact O-CB 3.14Å; I267-V270 PolarHBondContact O-N 2.88Å; D268-V270 VanDerWaalsContact C-N 3.34Å; D268-V270 PolarHBondContact O-N 2.74Å; V270-S272 VanDerWaalsContact C-N 3.31Å; V270-S272 PolarHBondContact O-N 2.99Å; V270-N273 CarbonylContact O-C 3.59Å; V270-N273 PolarHBondContact O-N 2.68Å; V270-N273 VanDerWaalsContact O-N 3.14Å; V270-W274 HydrophobicContact CG1-CE3 3.64Å; V270-W274 HydrophobicContact CG1-CZ3 3.68Å; V270-W274 PolarHBondContact O-N 3.47Å; V270-N280 WeakPolarHBondContact CG1-OD1 3.42Å; V270-M281 HydrophobicContact CB-CE 4.29Å; V270-M281 HydrophobicContact CG1-CE 3.49Å; V270-M281 VanDerWaalsContact CG1-CE 3.49Å; V270-M281 HydrophobicContact CG1-SD 4.06Å
271	C	91.8	Very high	91.9	Very high	22 Å²	22	58.9 Å²	58.9	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-36.4	179.6	-71.8	0	0	0	0	112.6	L203 I267 D268 N273 W274	L203-C271 HydrophobicContact CD2-CB 3.84Å; I267-C271 PolarHBondContact O-N 3.47Å; I267-C271 PolarHBondContact O-SG 2.84Å; D268-C271 PolarHBondContact O-N 3.41Å; C271-N273 PolarHBondContact O-N 3.37Å; C271-W274 VanDerWaalsContact O-CB 3.25Å; C271-W274 WeakPolarHBondContact O-CB 3.41Å; C271-W274 PolarHBondContact O-N 3.05Å
272	S	90.3	Very high	92	Very high	84 Å²	84	55.2 Å²	55.2	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.7	176.8	-62	0	0	0	0	113.9	D268 V270	D268-S272 VanDerWaalsContact O-CB 3.27Å; D268-S272 WeakPolarHBondContact O-CB 3.34Å; D268-S272 PolarHBondContact O-N 3.25Å; D268-S272 PolarHBondContact O-OG 3.4Å; V270-S272 VanDerWaalsContact C-N 3.31Å; V270-S272 PolarHBondContact O-N 2.99Å
273	N	89.2	Confident	92	Very high	126 Å²	126	60.7 Å²	60.7	67%	0.674	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	32.6	179.7	-61	-89.1	0	0	0	110.5	K269 V270 C271	K269-N273 PolarHBondContact O-ND2 3.12Å; V270-N273 CarbonylContact O-C 3.59Å; V270-N273 PolarHBondContact O-N 2.68Å; V270-N273 VanDerWaalsContact O-N 3.14Å; C271-N273 PolarHBondContact O-N 3.37Å
274	W	91.6	Very high	92	Very high	24 Å²	24	61.4 Å²	61.4	9%	0.091	30%	0.295	C	S	.	.			trans	-83.4	126.1	-169.7	-172.5	-90.1	0	0	0	113.6	L195 H196 A199 V270 C271 S276 P279 M281 Y360	L195-W274 HydrophobicContact CG-CZ2 4.36Å; H196-W274 AromaticContact CE1-CD1 3.92Å; H196-W274 AromaticContact ND1-CD1 3.37Å; H196-W274 AromaticContact ND1-NE1 3.96Å; A199-W274 HydrophobicContact CB-CD2 3.85Å; A199-W274 HydrophobicContact CB-CE3 3.97Å; A199-W274 HydrophobicContact CB-CH2 3.83Å; A199-W274 HydrophobicContact CB-CZ2 3.68Å; A199-W274 HydrophobicContact CB-CZ3 3.96Å; V270-W274 HydrophobicContact CG1-CE3 3.64Å; V270-W274 HydrophobicContact CG1-CZ3 3.68Å; V270-W274 PolarHBondContact O-N 3.47Å; C271-W274 VanDerWaalsContact O-CB 3.25Å; C271-W274 WeakPolarHBondContact O-CB 3.41Å; C271-W274 PolarHBondContact O-N 3.05Å; W274-S276 PolarHBondContact NE1-OG 3.43Å; W274-P279 HydrophobicContact CH2-CB 3.84Å; W274-P279 HydrophobicContact CZ2-CB 3.97Å; W274-M281 HydrophobicContact CH2-CB 4.23Å; W274-M281 HydrophobicContact CZ3-CB 4.03Å; W274-M281 HydrophobicContact CZ3-CE 4.48Å; W274-Y360 AromaticContact CH2-CE2 3.66Å; W274-Y360 HydrophobicContact CH2-CE2 3.66Å; W274-Y360 WeakPolarHBondContact CH2-OH 3.3Å; W274-Y360 HydrophobicContact CZ2-CE2 4.13Å
275	D	88.7	Confident	91.9	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	29%	0.288	C	S	.	.			trans	-127.8	122.2	161.2	-172.2	-18.4	0	0	0	108.7	R277 Y278	D275-R277 PolarHBondContact O-N 3.39Å; D275-R277 VanDerWaalsContact O-N 3.15Å; D275-R277 VanDerWaalsContact OD1-CB 3.27Å; D275-R277 WeakPolarHBondContact OD1-CB 3.37Å; D275-R277 WeakPolarHBondContact OD1-CG 3.48Å; D275-R277 IonicContact OD1-CZ 2.81Å; D275-R277 PolarHBondContact OD1-N 3.04Å; D275-R277 IonicContact OD1-NE 3.47Å; D275-R277 PolarHBondContact OD1-NE 3.29Å; D275-R277 VanDerWaalsContact OD1-NE 3.08Å; D275-R277 IonicContact OD1-NH2 3.71Å; D275-R277 IonicContact OD2-CZ 3.8Å; D275-R277 VanDerWaalsContact OD2-CZ 3.27Å; D275-R277 IonicContact OD2-NE 2.9Å; D275-R277 PolarHBondContact OD2-NE 2.83Å; D275-R277 IonicContact OD2-NH2 3.64Å; D275-R277 PolarHBondContact OD2-NH2 3.36Å; D275-Y278 HydrophobicContact CB-CD2 4.29Å; D275-Y278 CarbonylContact O-C 3.54Å; D275-Y278 VanDerWaalsContact O-C 3.26Å; D275-Y278 PolarHBondContact O-N 3.22Å
276	S	90.1	Very high	91.8	Very high	2 Å²	2	55 Å²	55	1%	0.014	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	177.2	-69.5	0	0	0	0	113.6	Y181 L192 L195 H196 W274 Y278	Y181-S276 PolarHBondContact OH-OG 2.59Å; L192-S276 VanDerWaalsContact CD2-O 3.25Å; L192-S276 WeakPolarHBondContact CD2-O 3.47Å; L192-S276 WeakPolarHBondContact O-CB 3.33Å; L192-S276 PolarHBondContact O-OG 2.85Å; L195-S276 WeakPolarHBondContact CD2-O 3.31Å; H196-S276 WeakPolarHBondContact CB-OG 3.41Å; H196-S276 PolarHBondContact N-OG 3.45Å; W274-S276 PolarHBondContact NE1-OG 3.43Å; S276-Y278 VanDerWaalsContact C-N 3.34Å
277	R	87	Confident	91.7	Very high	135 Å²	135	54.9 Å²	54.9	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.6	171.6	-59.3	173	-65.7	-161.3	5.8	112.4	Y181 L192 D275 P279	Y181-R277 HydrophobicContact CD1-CG 4.2Å; L192-R277 HydrophobicContact CD1-CG 4.16Å; L192-R277 HydrophobicContact CD2-CG 4.38Å; D275-R277 PolarHBondContact O-N 3.39Å; D275-R277 VanDerWaalsContact O-N 3.15Å; D275-R277 VanDerWaalsContact OD1-CB 3.27Å; D275-R277 WeakPolarHBondContact OD1-CB 3.37Å; D275-R277 WeakPolarHBondContact OD1-CG 3.48Å; D275-R277 IonicContact OD1-CZ 2.81Å; D275-R277 PolarHBondContact OD1-N 3.04Å; D275-R277 IonicContact OD1-NE 3.47Å; D275-R277 PolarHBondContact OD1-NE 3.29Å; D275-R277 VanDerWaalsContact OD1-NE 3.08Å; D275-R277 IonicContact OD1-NH2 3.71Å; D275-R277 IonicContact OD2-CZ 3.8Å; D275-R277 VanDerWaalsContact OD2-CZ 3.27Å; D275-R277 IonicContact OD2-NE 2.9Å; D275-R277 PolarHBondContact OD2-NE 2.83Å; D275-R277 IonicContact OD2-NH2 3.64Å; D275-R277 PolarHBondContact OD2-NH2 3.36Å; R277-P279 VanDerWaalsContact C-CD 3.41Å
278	Y	89.6	Confident	91.5	Very high	177 Å²	177	55.3 Å²	55.3	69%	0.694	28%	0.275	S	S	*	.	S	Bend	trans	-128.9	57.4	179	-56.8	-70.3	0	0	0	111.7	D275 S276	D275-Y278 HydrophobicContact CB-CD2 4.29Å; D275-Y278 CarbonylContact O-C 3.54Å; D275-Y278 VanDerWaalsContact O-C 3.26Å; D275-Y278 PolarHBondContact O-N 3.22Å; S276-Y278 VanDerWaalsContact C-N 3.34Å
279	P	91.7	Very high	91.3	Very high	27 Å²	27	51.7 Å²	51.7	18%	0.175	26%	0.256	C	S	.	.			trans	-67.3	140.5	-171.7	30.7	-36.4	0	0	0	112.1	L195 W274 R277 Y360 L364 E370	L195-P279 HydrophobicContact CD2-CB 4.12Å; L195-P279 HydrophobicContact CD2-CG 4.29Å; W274-P279 HydrophobicContact CH2-CB 3.84Å; W274-P279 HydrophobicContact CZ2-CB 3.97Å; R277-P279 VanDerWaalsContact C-CD 3.41Å; P279-Y360 WeakPolarHBondContact CB-OH 3.48Å; P279-L364 HydrophobicContact CB-CD2 3.84Å; P279-L364 HydrophobicContact CG-CD2 3.59Å; P279-E370 HydrophobicContact CB-CG 4.2Å; P279-E370 HydrophobicContact CG-CB 4.32Å; P279-E370 HydrophobicContact CG-CG 4.17Å; P279-E370 WeakPolarHBondContact O-CG 3.26Å
280	N	93.2	Very high	91	Very high	65 Å²	65	50.5 Å²	50.5	35%	0.348	26%	0.255	S	S	.	.			trans	-148.2	10.6	-169.4	61.9	27.8	0	0	0	115.7	V270 S282 Y360 E370	V270-N280 WeakPolarHBondContact CG1-OD1 3.42Å; N280-S282 VanDerWaalsContact C-N 3.33Å; N280-S282 PolarHBondContact O-N 2.94Å; N280-Y360 PolarHBondContact N-OH 3.02Å; N280-E370 WeakPolarHBondContact CA-OE1 3.14Å; N280-E370 PolarHBondContact N-OE1 2.81Å
281	M	95.3	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-30.5	-177.3	-172.6	60.8	75.4	0	0	113.4	A199 F202 I267 V270 W274 K283 T284 I285 Y360 E370	A199-M281 HydrophobicContact CB-CE 4.25Å; F202-M281 HydrophobicContact CB-CE 4.37Å; F202-M281 HydrophobicContact CD2-CG 3.87Å; F202-M281 HydrophobicContact CD2-SD 4.47Å; F202-M281 HydrophobicContact CE2-CG 3.92Å; F202-M281 HydrophobicContact CG-CG 4.37Å; F202-M281 HydrophobicContact CG-SD 4.49Å; F202-M281 HydrophobicContact CZ-CG 4.47Å; I267-M281 HydrophobicContact CG1-SD 4.18Å; I267-M281 HydrophobicContact CG2-CE 4.05Å; I267-M281 HydrophobicContact CG2-SD 4.39Å; V270-M281 HydrophobicContact CB-CE 4.29Å; V270-M281 HydrophobicContact CG1-CE 3.49Å; V270-M281 VanDerWaalsContact CG1-CE 3.49Å; V270-M281 HydrophobicContact CG1-SD 4.06Å; W274-M281 HydrophobicContact CH2-CB 4.23Å; W274-M281 HydrophobicContact CZ3-CB 4.03Å; W274-M281 HydrophobicContact CZ3-CE 4.48Å; M281-K283 VanDerWaalsContact C-N 3.3Å; M281-K283 PolarHBondContact O-N 3.41Å; M281-T284 PolarHBondContact O-N 3.29Å; M281-T284 VanDerWaalsContact O-N 3.09Å; M281-I285 HydrophobicContact CG-CG1 4.04Å; M281-I285 PolarHBondContact O-N 3.49Å; M281-I285 VanDerWaalsContact O-N 3.16Å; M281-I285 HydrophobicContact SD-CD1 4.29Å; M281-I285 HydrophobicContact SD-CG1 4.22Å; M281-Y360 HydrophobicContact CB-CE1 4.28Å; M281-Y360 HydrophobicContact CB-CE2 3.76Å; M281-Y360 WeakPolarHBondContact CB-OH 3.13Å; M281-Y360 PolarHBondContact N-OH 3.27Å; M281-E370 PolarHBondContact N-OE1 2.78Å
282	S	94.8	Very high	90.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-37.5	-174.1	-64.4	0	0	0	0	112.9	N280 T284 G286 M357 Y360 E370 A374	N280-S282 VanDerWaalsContact C-N 3.33Å; N280-S282 PolarHBondContact O-N 2.94Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 3.05Å; S282-G286 WeakPolarHBondContact O-CA 3.48Å; S282-G286 PolarHBondContact O-N 3.36Å; S282-M357 PolarHBondContact OG-SD 3.4Å; S282-Y360 VanDerWaalsContact OG-CE1 3.27Å; S282-Y360 WeakPolarHBondContact OG-CE1 3.42Å; S282-E370 WeakPolarHBondContact CB-OE1 3.41Å; S282-E370 PolarHBondContact N-OE1 3.23Å; S282-E370 PolarHBondContact OG-OE1 3.15Å; S282-A374 WeakPolarHBondContact OG-CA 3.43Å; S282-A374 VanDerWaalsContact OG-CB 3.24Å; S282-A374 WeakPolarHBondContact OG-CB 3.48Å; S282-A374 PolarHBondContact OG-N 2.93Å
283	K	90.9	Very high	90.3	Very high	153 Å²	153	51.5 Å²	51.5	67%	0.665	25%	0.245	S	C	*	.	H	α-helix	trans	-61.7	-39.7	174.9	-177.2	177	177.5	179.3	0	112.4	M281 T287	M281-K283 VanDerWaalsContact C-N 3.3Å; M281-K283 PolarHBondContact O-N 3.41Å; K283-T287 WeakPolarHBondContact O-CB 3.45Å; K283-T287 PolarHBondContact O-N 2.89Å; K283-T287 VanDerWaalsContact O-N 3.1Å; K283-T287 PolarHBondContact O-OG1 3.26Å
284	T	92.4	Very high	90.2	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-58.1	178.8	-66.4	0	0	0	0	110.5	L263 E266 I267 M281 S282 G286 T287 F288	L263-T284 HydrophobicContact CD1-CG2 4.44Å; E266-T284 HydrophobicContact CB-CG2 3.89Å; I267-T284 HydrophobicContact CG1-CG2 4.03Å; M281-T284 PolarHBondContact O-N 3.29Å; M281-T284 VanDerWaalsContact O-N 3.09Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 3.05Å; T284-G286 VanDerWaalsContact C-N 3.34Å; T284-G286 PolarHBondContact O-N 3.05Å; T284-T287 WeakPolarHBondContact O-CB 3.41Å; T284-T287 PolarHBondContact O-N 3.07Å; T284-T287 VanDerWaalsContact O-N 3.11Å; T284-F288 WeakPolarHBondContact O-CD2 3.28Å; T284-F288 PolarHBondContact O-N 2.64Å
285	I	94	Very high	90.1	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-42.6	-178.6	-53.8	-59.8	0	0	0	111.2	F202 L263 I267 M281 T287 F288 A289 M357 L381	F202-I285 HydrophobicContact CD1-CD1 3.58Å; F202-I285 HydrophobicContact CD1-CG1 3.99Å; F202-I285 HydrophobicContact CE1-CD1 3.74Å; F202-I285 HydrophobicContact CE1-CG1 3.66Å; F202-I285 HydrophobicContact CE1-CG2 4.41Å; F202-I285 HydrophobicContact CG-CD1 4.35Å; F202-I285 HydrophobicContact CZ-CG1 4.12Å; L263-I285 HydrophobicContact CD1-CD1 4.17Å; I267-I285 HydrophobicContact CD1-CD1 3.69Å; I267-I285 HydrophobicContact CG1-CD1 3.97Å; M281-I285 HydrophobicContact CG-CG1 4.04Å; M281-I285 PolarHBondContact O-N 3.49Å; M281-I285 VanDerWaalsContact O-N 3.16Å; M281-I285 HydrophobicContact SD-CD1 4.29Å; M281-I285 HydrophobicContact SD-CG1 4.22Å; I285-T287 PolarHBondContact O-N 2.92Å; I285-F288 PolarHBondContact O-N 2.69Å; I285-A289 PolarHBondContact O-N 2.83Å; I285-M357 HydrophobicContact CB-CE 3.46Å; I285-M357 VanDerWaalsContact CB-CE 3.46Å; I285-M357 HydrophobicContact CG1-CE 3.53Å; I285-M357 HydrophobicContact CG2-CE 3.86Å; I285-L381 HydrophobicContact CG2-CD1 3.93Å
286	G	91	Very high	90	Very high	14 Å²	14	47 Å²	47	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-23.1	177.5	0	0	0	0	0	114.4	S282 T284	S282-G286 WeakPolarHBondContact O-CA 3.48Å; S282-G286 PolarHBondContact O-N 3.36Å; T284-G286 VanDerWaalsContact C-N 3.34Å; T284-G286 PolarHBondContact O-N 3.05Å
287	T	89.9	Confident	89.8	Confident	61 Å²	61	49.7 Å²	49.7	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-76.7	-30.7	172	-61.4	0	0	0	0	112.1	K283 T284 I285 F291 I636	K283-T287 WeakPolarHBondContact O-CB 3.45Å; K283-T287 PolarHBondContact O-N 2.89Å; K283-T287 VanDerWaalsContact O-N 3.1Å; K283-T287 PolarHBondContact O-OG1 3.26Å; T284-T287 WeakPolarHBondContact O-CB 3.41Å; T284-T287 PolarHBondContact O-N 3.07Å; T284-T287 VanDerWaalsContact O-N 3.11Å; I285-T287 PolarHBondContact O-N 2.92Å; T287-F291 WeakPolarHBondContact O-CD2 3.3Å; T287-F291 WeakPolarHBondContact O-CE2 3.5Å; T287-I636 HydrophobicContact CG2-CD1 4.41Å; T287-I636 HydrophobicContact CG2-CG2 4.03Å
288	F	91.5	Very high	90	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-91.4	-17	-179.3	-80.7	-102.6	0	0	0	114	M262 L263 E266 T284 I285 D290 F291 L292 I636	M262-F288 HydrophobicContact CB-CE1 3.78Å; M262-F288 HydrophobicContact CB-CZ 3.98Å; M262-F288 HydrophobicContact CE-CE1 4.39Å; L263-F288 VanDerWaalsContact CA-CE1 3.46Å; L263-F288 HydrophobicContact CB-CD1 3.63Å; L263-F288 HydrophobicContact CB-CE1 3.61Å; L263-F288 HydrophobicContact CB-CG 4.17Å; L263-F288 HydrophobicContact CB-CZ 4.13Å; L263-F288 HydrophobicContact CD1-CB 3.9Å; L263-F288 HydrophobicContact CD1-CD1 4.04Å; L263-F288 HydrophobicContact CD1-CD2 3.75Å; L263-F288 HydrophobicContact CD1-CE1 4.45Å; L263-F288 HydrophobicContact CD1-CE2 4.19Å; L263-F288 HydrophobicContact CD1-CG 3.65Å; L263-F288 HydrophobicContact CD2-CB 4.41Å; L263-F288 HydrophobicContact CG-CD1 4.27Å; L263-F288 HydrophobicContact CG-CG 4.34Å; L263-F288 VanDerWaalsContact N-CE1 3.27Å; E266-F288 HydrophobicContact CB-CE2 4.22Å; E266-F288 HydrophobicContact CG-CE2 4.22Å; E266-F288 HydrophobicContact CG-CZ 4.35Å; T284-F288 WeakPolarHBondContact O-CD2 3.28Å; T284-F288 PolarHBondContact O-N 2.64Å; I285-F288 PolarHBondContact O-N 2.69Å; F288-D290 PolarHBondContact O-N 3.08Å; F288-F291 WeakPolarHBondContact O-CA 3.24Å; F288-F291 WeakPolarHBondContact O-CB 3.3Å; F288-F291 PolarHBondContact O-N 3.13Å; F288-L292 PolarHBondContact O-N 2.9Å; F288-I636 HydrophobicContact CD1-CD1 3.81Å; F288-I636 HydrophobicContact CD2-CD1 3.88Å; F288-I636 HydrophobicContact CE1-CD1 3.44Å; F288-I636 VanDerWaalsContact CE1-CD1 3.44Å; F288-I636 HydrophobicContact CE2-CD1 3.52Å; F288-I636 HydrophobicContact CG-CD1 4.03Å; F288-I636 HydrophobicContact CZ-CD1 3.3Å
289	A	89.8	Confident	89.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-50	-47.8	-175.1	0	0	0	0	0	114.1	I285 F291 L292 K380 L381	I285-A289 PolarHBondContact O-N 2.83Å; A289-F291 PolarHBondContact O-N 3.03Å; A289-L292 WeakPolarHBondContact O-CB 3.24Å; A289-L292 PolarHBondContact O-N 2.67Å; A289-K380 HydrophobicContact CB-CB 3.9Å; A289-L381 HydrophobicContact CB-CD2 3.8Å; A289-L381 HydrophobicContact CB-CG 4.12Å
290	D	85.8	Confident	89.6	Confident	88 Å²	88	36 Å²	36	47%	0.471	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-63.6	-27.1	177.6	-83.9	-57.7	0	0	0	114	F288 K293	F288-D290 PolarHBondContact O-N 3.08Å; D290-K293 IonicContact OD1-NZ 3.61Å; D290-K293 PolarHBondContact OD1-NZ 2.92Å
291	F	87.3	Confident	89.2	Confident	41 Å²	41	36.3 Å²	36.3	18%	0.18	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-81.8	-19.3	-178.3	-61.1	-84.9	0	0	0	112.7	I259 T287 F288 A289 K293 C294 I635 I636	I259-F291 HydrophobicContact CG2-CB 4.14Å; T287-F291 WeakPolarHBondContact O-CD2 3.3Å; T287-F291 WeakPolarHBondContact O-CE2 3.5Å; F288-F291 WeakPolarHBondContact O-CA 3.24Å; F288-F291 WeakPolarHBondContact O-CB 3.3Å; F288-F291 PolarHBondContact O-N 3.13Å; A289-F291 PolarHBondContact O-N 3.03Å; F291-K293 PolarHBondContact O-N 3.2Å; F291-C294 WeakPolarHBondContact O-CB 3.45Å; F291-C294 PolarHBondContact O-N 3.1Å; F291-C294 PolarHBondContact O-SG 3.06Å; F291-I635 HydrophobicContact CD1-CG2 3.55Å; F291-I635 HydrophobicContact CE1-CG2 3.71Å; F291-I635 VanDerWaalsContact CE1-O 3.27Å; F291-I635 WeakPolarHBondContact CE1-O 3.46Å; F291-I636 HydrophobicContact CD2-CG1 4.09Å; F291-I636 HydrophobicContact CE1-CG1 4.3Å; F291-I636 HydrophobicContact CE2-CG1 3.75Å; F291-I636 HydrophobicContact CZ-CB 4.33Å; F291-I636 HydrophobicContact CZ-CG1 3.86Å
292	L	87.6	Confident	88.8	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.7	-16	174.6	-61.8	178.4	0	0	0	113.3	H260 F288 A289 C294 C295 F350 Y353 L381 V384	H260-L292 VanDerWaalsContact CE1-CD2 3.47Å; H260-L292 WeakPolarHBondContact CE1-CD2 3.4Å; F288-L292 PolarHBondContact O-N 2.9Å; A289-L292 WeakPolarHBondContact O-CB 3.24Å; A289-L292 PolarHBondContact O-N 2.67Å; L292-C294 PolarHBondContact O-N 3.22Å; L292-C294 VanDerWaalsContact O-N 3.1Å; L292-C295 WeakPolarHBondContact O-CB 3.24Å; L292-C295 PolarHBondContact O-N 3.5Å; L292-F350 HydrophobicContact CB-CD2 4.02Å; L292-F350 HydrophobicContact CB-CE2 4.02Å; L292-Y353 HydrophobicContact CD1-CD2 3.6Å; L292-Y353 HydrophobicContact CD1-CE2 4.13Å; L292-Y353 HydrophobicContact CD1-CG 4.27Å; L292-Y353 HydrophobicContact CD2-CD2 4.07Å; L292-Y353 HydrophobicContact CD2-CE2 3.7Å; L292-L381 HydrophobicContact CD1-CD2 3.51Å; L292-V384 HydrophobicContact CB-CG1 4.33Å
293	K	85.1	Confident	88.3	Confident	100 Å²	100	40 Å²	40	44%	0.435	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-56.4	-17.3	167.5	-67.3	174	178.4	151.7	0	113	D290 F291 C295 Q296 V384	D290-K293 IonicContact OD1-NZ 3.61Å; D290-K293 PolarHBondContact OD1-NZ 2.92Å; F291-K293 PolarHBondContact O-N 3.2Å; K293-C295 PolarHBondContact O-N 3.48Å; K293-Q296 VanDerWaalsContact O-CB 3.23Å; K293-Q296 WeakPolarHBondContact O-CB 3.45Å; K293-Q296 PolarHBondContact O-N 3.48Å; K293-V384 HydrophobicContact CG-CG1 4.12Å
294	C	86.9	Confident	88.2	Confident	29 Å²	29	36.3 Å²	36.3	20%	0.196	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.1	-23.7	170.2	67.4	0	0	0	0	113.9	I256 I259 F291 L292 Q296 P297	I256-C294 WeakPolarHBondContact CG1-O 3.32Å; I259-C294 HydrophobicContact CD1-CB 3.38Å; F291-C294 WeakPolarHBondContact O-CB 3.45Å; F291-C294 PolarHBondContact O-N 3.1Å; F291-C294 PolarHBondContact O-SG 3.06Å; L292-C294 PolarHBondContact O-N 3.22Å; L292-C294 VanDerWaalsContact O-N 3.1Å; C294-Q296 VanDerWaalsContact C-N 3.29Å; C294-P297 WeakPolarHBondContact O-CD 3.5Å
295	C	89.2	Confident	88.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-74.1	-19.1	174.8	-65.4	0	0	0	0	112.9	L292 K293 F298 L299 V346 F350	L292-C295 WeakPolarHBondContact O-CB 3.24Å; L292-C295 PolarHBondContact O-N 3.5Å; K293-C295 PolarHBondContact O-N 3.48Å; C295-F298 WeakPolarHBondContact O-CB 3.39Å; C295-F298 PolarHBondContact O-N 2.89Å; C295-F298 VanDerWaalsContact O-N 3.1Å; C295-L299 HydrophobicContact CB-CD1 3.96Å; C295-L299 HydrophobicContact CB-CG 4.39Å; C295-L299 WeakPolarHBondContact O-CG 3.24Å; C295-L299 PolarHBondContact O-N 2.77Å; C295-V346 HydrophobicContact CB-CG1 3.88Å; C295-F350 HydrophobicContact CB-CD2 4.19Å
296	Q	86.4	Confident	87.7	Confident	60 Å²	60	37.7 Å²	37.7	28%	0.28	21%	0.209	S	C	.	.	H	α-helix	trans	-57.1	-45.2	-172	-176.3	173.8	5.8	0	0	113.9	K293 C294 F298 L299 D300 V388	K293-Q296 VanDerWaalsContact O-CB 3.23Å; K293-Q296 WeakPolarHBondContact O-CB 3.45Å; K293-Q296 PolarHBondContact O-N 3.48Å; C294-Q296 VanDerWaalsContact C-N 3.29Å; Q296-F298 PolarHBondContact O-N 2.88Å; Q296-L299 PolarHBondContact O-N 3.36Å; Q296-L299 VanDerWaalsContact O-N 3.09Å; Q296-D300 WeakPolarHBondContact O-CB 3.33Å; Q296-D300 VanDerWaalsContact O-CG 3.25Å; Q296-D300 PolarHBondContact O-N 3.33Å; Q296-V388 HydrophobicContact CB-CG2 4.48Å; Q296-V388 HydrophobicContact CG-CG2 4.41Å
297	P	87.5	Confident	87.5	Confident	57 Å²	57	41.4 Å²	41.4	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-28.2	178.4	-23.4	35.5	0	0	0	113.9	I252 C294 N301	I252-P297 HydrophobicContact CG2-CB 4.4Å; C294-P297 WeakPolarHBondContact O-CD 3.5Å; P297-N301 PolarHBondContact O-ND2 2.59Å
298	F	90.2	Very high	87.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-46.4	171.7	177.6	-96.7	0	0	0	111	I252 M253 I256 C295 Q296 N301 K302 F305 L343 V346	I252-F298 HydrophobicContact CG2-CB 3.76Å; M253-F298 HydrophobicContact CE-CD2 3.81Å; M253-F298 HydrophobicContact CE-CE1 4.32Å; M253-F298 HydrophobicContact CE-CE2 3.41Å; M253-F298 VanDerWaalsContact CE-CE2 3.41Å; M253-F298 HydrophobicContact CE-CG 4.42Å; M253-F298 HydrophobicContact CE-CZ 3.69Å; I256-F298 HydrophobicContact CD1-CB 3.89Å; C295-F298 WeakPolarHBondContact O-CB 3.39Å; C295-F298 PolarHBondContact O-N 2.89Å; C295-F298 VanDerWaalsContact O-N 3.1Å; Q296-F298 PolarHBondContact O-N 2.88Å; F298-N301 CarbonylContact O-C 3.51Å; F298-N301 PolarHBondContact O-N 3.01Å; F298-K302 HydrophobicContact CE1-CB 4.35Å; F298-K302 HydrophobicContact CE1-CD 4.31Å; F298-K302 HydrophobicContact CE1-CG 3.85Å; F298-K302 HydrophobicContact CZ-CG 4.1Å; F298-K302 PolarHBondContact O-N 3Å; F298-F305 HydrophobicContact CD2-CD2 4.02Å; F298-F305 AromaticContact CD2-CE2 3.94Å; F298-F305 HydrophobicContact CD2-CE2 3.94Å; F298-F305 AromaticContact CE2-CD2 3.84Å; F298-F305 HydrophobicContact CE2-CD2 3.84Å; F298-F305 HydrophobicContact CE2-CE2 4.23Å; F298-L343 WeakPolarHBondContact CE1-O 3.46Å; F298-L343 HydrophobicContact CE2-CD2 4.36Å; F298-L343 HydrophobicContact CZ-CB 4.17Å; F298-L343 HydrophobicContact CZ-CD2 4.06Å; F298-V346 HydrophobicContact CD1-CB 3.66Å; F298-V346 HydrophobicContact CD1-CG1 3.62Å; F298-V346 HydrophobicContact CD1-CG2 3.76Å; F298-V346 HydrophobicContact CE1-CB 3.71Å; F298-V346 HydrophobicContact CE1-CG1 4.22Å; F298-V346 HydrophobicContact CE1-CG2 3.7Å; F298-V346 HydrophobicContact CG-CG1 4.41Å; F298-V346 HydrophobicContact CG-CG2 4.44Å; F298-V346 HydrophobicContact CZ-CG2 4.34Å
299	L	87.2	Confident	87.4	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-48.3	-175.9	-66.3	174.2	0	0	0	111.4	C295 Q296 N301 K302 V346 H347 F350 V388 M392	C295-L299 HydrophobicContact CB-CD1 3.96Å; C295-L299 HydrophobicContact CB-CG 4.39Å; C295-L299 WeakPolarHBondContact O-CG 3.24Å; C295-L299 PolarHBondContact O-N 2.77Å; Q296-L299 PolarHBondContact O-N 3.36Å; Q296-L299 VanDerWaalsContact O-N 3.09Å; L299-N301 PolarHBondContact O-N 3.24Å; L299-N301 VanDerWaalsContact O-N 3.11Å; L299-K302 WeakPolarHBondContact O-CB 3.47Å; L299-K302 PolarHBondContact O-N 2.85Å; L299-V346 HydrophobicContact CD2-CB 4.48Å; L299-V346 HydrophobicContact CD2-CG1 4.04Å; L299-V346 HydrophobicContact CG-CG1 4.3Å; L299-H347 HydrophobicContact CD2-CB 3.55Å; L299-F350 HydrophobicContact CD1-CD1 4.05Å; L299-F350 HydrophobicContact CD1-CE1 4.32Å; L299-F350 HydrophobicContact CD1-CG 4.17Å; L299-V388 HydrophobicContact CB-CG1 4.3Å; L299-V388 HydrophobicContact CD1-CG1 3.81Å; L299-M392 WeakPolarHBondContact O-CE 3.48Å
300	D	84.8	Confident	87.3	Confident	51 Å²	51	44 Å²	44	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-51	-34.8	175.7	-73.8	-14.8	0	0	0	112.8	Q296 K391	Q296-D300 WeakPolarHBondContact O-CB 3.33Å; Q296-D300 VanDerWaalsContact O-CG 3.25Å; Q296-D300 PolarHBondContact O-N 3.33Å; D300-K391 WeakPolarHBondContact OD1-CD 3.16Å; D300-K391 WeakPolarHBondContact OD1-CE 3.46Å; D300-K391 IonicContact OD1-NZ 2.69Å; D300-K391 PolarHBondContact OD1-NZ 2.87Å; D300-K391 IonicContact OD2-NZ 2.64Å; D300-K391 PolarHBondContact OD2-NZ 3.06Å
301	N	86.8	Confident	87.5	Confident	71 Å²	71	43.9 Å²	43.9	38%	0.38	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.8	-176.7	-65.4	-80.5	0	0	0	113.6	P297 F298 L299 A303 D304 F305	P297-N301 PolarHBondContact O-ND2 2.59Å; F298-N301 CarbonylContact O-C 3.51Å; F298-N301 PolarHBondContact O-N 3.01Å; L299-N301 PolarHBondContact O-N 3.24Å; L299-N301 VanDerWaalsContact O-N 3.11Å; N301-A303 VanDerWaalsContact C-N 3.34Å; N301-A303 PolarHBondContact O-N 2.92Å; N301-D304 WeakPolarHBondContact O-CB 3.45Å; N301-D304 PolarHBondContact O-N 2.76Å; N301-F305 HydrophobicContact CB-CD2 4.1Å; N301-F305 HydrophobicContact CB-CE1 4.26Å; N301-F305 HydrophobicContact CB-CE2 3.47Å; N301-F305 VanDerWaalsContact CB-CE2 3.47Å; N301-F305 HydrophobicContact CB-CZ 3.55Å; N301-F305 VanDerWaalsContact O-CD2 3.29Å; N301-F305 WeakPolarHBondContact O-CD2 3.33Å; N301-F305 WeakPolarHBondContact O-CG 3.42Å; N301-F305 PolarHBondContact O-N 2.72Å
302	K	86.4	Confident	87.6	Confident	24 Å²	24	42.2 Å²	42.2	10%	0.104	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-39.6	-170.1	-169	-163	68.9	168.1	0	112.9	F298 L299 F305 L306 D344	F298-K302 HydrophobicContact CE1-CB 4.35Å; F298-K302 HydrophobicContact CE1-CD 4.31Å; F298-K302 HydrophobicContact CE1-CG 3.85Å; F298-K302 HydrophobicContact CZ-CG 4.1Å; F298-K302 PolarHBondContact O-N 3Å; L299-K302 WeakPolarHBondContact O-CB 3.47Å; L299-K302 PolarHBondContact O-N 2.85Å; K302-F305 PolarHBondContact O-N 2.67Å; K302-L306 WeakPolarHBondContact O-CB 3.45Å; K302-L306 PolarHBondContact O-N 3.15Å; K302-D344 IonicContact NZ-OD1 3.14Å; K302-D344 PolarHBondContact NZ-OD1 2.91Å
303	A	83.7	Confident	87.6	Confident	54 Å²	54	42.8 Å²	42.8	45%	0.446	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-44.6	178.2	0	0	0	0	0	111.3	N301 L306 N307	N301-A303 VanDerWaalsContact C-N 3.34Å; N301-A303 PolarHBondContact O-N 2.92Å; A303-L306 PolarHBondContact O-N 3.09Å; A303-N307 WeakPolarHBondContact O-CB 3.45Å; A303-N307 PolarHBondContact O-N 2.77Å; A303-N307 PolarHBondContact O-ND2 3.4Å
304	D	88.1	Confident	87.6	Confident	76 Å²	76	43.2 Å²	43.2	41%	0.406	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-46.2	176	-95.6	37.1	0	0	0	112.6	N301 L306 N307 K308	N301-D304 WeakPolarHBondContact O-CB 3.45Å; N301-D304 PolarHBondContact O-N 2.76Å; D304-L306 VanDerWaalsContact C-N 3.33Å; D304-L306 PolarHBondContact O-N 2.86Å; D304-N307 PolarHBondContact O-N 3.26Å; D304-K308 VanDerWaalsContact O-CB 3.29Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 WeakPolarHBondContact O-CD 3.42Å; D304-K308 VanDerWaalsContact O-CG 3.23Å; D304-K308 WeakPolarHBondContact O-CG 3.23Å; D304-K308 PolarHBondContact O-N 3.39Å; D304-K308 IonicContact OD2-NZ 3.72Å; D304-K308 PolarHBondContact OD2-NZ 2.58Å
305	F	90.5	Very high	87.7	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-41.4	175.9	-62.1	-38.9	0	0	0	112.1	V245 Q248 I249 I252 F298 N301 K302 L309 L343	V245-F305 HydrophobicContact CG2-CB 4.38Å; V245-F305 HydrophobicContact CG2-CD1 4.15Å; Q248-F305 HydrophobicContact CB-CE1 3.86Å; I249-F305 HydrophobicContact CD1-CB 4.23Å; I249-F305 HydrophobicContact CG1-CB 4.19Å; I249-F305 HydrophobicContact CG1-CD1 4.22Å; I249-F305 HydrophobicContact CG1-CD2 4.28Å; I249-F305 HydrophobicContact CG1-CG 3.99Å; I252-F305 HydrophobicContact CD1-CE2 3.82Å; I252-F305 HydrophobicContact CD1-CZ 3.6Å; F298-F305 HydrophobicContact CD2-CD2 4.02Å; F298-F305 AromaticContact CD2-CE2 3.94Å; F298-F305 HydrophobicContact CD2-CE2 3.94Å; F298-F305 AromaticContact CE2-CD2 3.84Å; F298-F305 HydrophobicContact CE2-CD2 3.84Å; F298-F305 HydrophobicContact CE2-CE2 4.23Å; N301-F305 HydrophobicContact CB-CD2 4.1Å; N301-F305 HydrophobicContact CB-CE1 4.26Å; N301-F305 HydrophobicContact CB-CE2 3.47Å; N301-F305 VanDerWaalsContact CB-CE2 3.47Å; N301-F305 HydrophobicContact CB-CZ 3.55Å; N301-F305 VanDerWaalsContact O-CD2 3.29Å; N301-F305 WeakPolarHBondContact O-CD2 3.33Å; N301-F305 WeakPolarHBondContact O-CG 3.42Å; N301-F305 PolarHBondContact O-N 2.72Å; K302-F305 PolarHBondContact O-N 2.67Å; F305-L309 WeakPolarHBondContact O-CB 3.43Å; F305-L309 PolarHBondContact O-N 2.74Å; F305-L343 HydrophobicContact CB-CD1 4.5Å
306	L	86	Confident	87.6	Confident	44 Å²	44	47.9 Å²	47.9	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-43.3	176.9	178.5	142.1	0	0	0	111.8	K302 A303 D304 L310 I340	K302-L306 WeakPolarHBondContact O-CB 3.45Å; K302-L306 PolarHBondContact O-N 3.15Å; A303-L306 PolarHBondContact O-N 3.09Å; D304-L306 VanDerWaalsContact C-N 3.33Å; D304-L306 PolarHBondContact O-N 2.86Å; L306-L310 HydrophobicContact CD2-CD1 3.7Å; L306-L310 HydrophobicContact CG-CD1 4.23Å; L306-L310 WeakPolarHBondContact O-CB 3.45Å; L306-L310 WeakPolarHBondContact O-CG 3.24Å; L306-L310 PolarHBondContact O-N 2.71Å; L306-I340 HydrophobicContact CD1-CG2 3.7Å; L306-I340 HydrophobicContact CG-CG2 3.91Å
307	N	86.8	Confident	87.6	Confident	93 Å²	93	51.1 Å²	51.1	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-50.1	177.4	-70.4	-22.1	0	0	0	111.7	A303 D304 L309 L310 Q311	A303-N307 WeakPolarHBondContact O-CB 3.45Å; A303-N307 PolarHBondContact O-N 2.77Å; A303-N307 PolarHBondContact O-ND2 3.4Å; D304-N307 PolarHBondContact O-N 3.26Å; N307-L309 VanDerWaalsContact C-N 3.33Å; N307-L309 PolarHBondContact O-N 2.75Å; N307-L310 PolarHBondContact O-N 2.87Å; N307-Q311 WeakPolarHBondContact O-CB 3.31Å; N307-Q311 PolarHBondContact O-N 3.38Å
308	K	90.1	Very high	87.6	Confident	79 Å²	79	51.9 Å²	51.9	34%	0.343	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-39.7	178.3	-71.8	160.5	179.7	154.4	0	111.8	V245 D304 L312	V245-K308 HydrophobicContact CB-CB 4.13Å; V245-K308 HydrophobicContact CG2-CB 3.81Å; D304-K308 VanDerWaalsContact O-CB 3.29Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 WeakPolarHBondContact O-CD 3.42Å; D304-K308 VanDerWaalsContact O-CG 3.23Å; D304-K308 WeakPolarHBondContact O-CG 3.23Å; D304-K308 PolarHBondContact O-N 3.39Å; D304-K308 IonicContact OD2-NZ 3.72Å; D304-K308 PolarHBondContact OD2-NZ 2.58Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 PolarHBondContact O-N 3.12Å
309	L	90.4	Very high	87.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.7	-35.2	177.3	-173.3	65.2	0	0	0	112.8	V245 F305 N307 R313 F319 V339 I340 L343	V245-L309 HydrophobicContact CG1-CB 4.28Å; V245-L309 HydrophobicContact CG1-CD1 3.97Å; F305-L309 WeakPolarHBondContact O-CB 3.43Å; F305-L309 PolarHBondContact O-N 2.74Å; N307-L309 VanDerWaalsContact C-N 3.33Å; N307-L309 PolarHBondContact O-N 2.75Å; L309-R313 WeakPolarHBondContact O-CB 3.34Å; L309-R313 WeakPolarHBondContact O-CG 3.36Å; L309-R313 PolarHBondContact O-N 2.9Å; L309-R313 VanDerWaalsContact O-N 3.14Å; L309-F319 HydrophobicContact CD1-CE1 3.66Å; L309-F319 HydrophobicContact CD1-CZ 3.74Å; L309-V339 HydrophobicContact CD2-CG1 3.84Å; L309-I340 HydrophobicContact CD2-CG1 3.82Å; L309-I340 HydrophobicContact CG-CG1 4.23Å; L309-L343 HydrophobicContact CD2-CD1 4.26Å
310	L	87.6	Confident	87.6	Confident	45 Å²	45	52.2 Å²	52.2	24%	0.236	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-42.2	171.9	-85.9	167.6	0	0	0	112	L306 N307 N314 I340	L306-L310 HydrophobicContact CD2-CD1 3.7Å; L306-L310 HydrophobicContact CG-CD1 4.23Å; L306-L310 WeakPolarHBondContact O-CB 3.45Å; L306-L310 WeakPolarHBondContact O-CG 3.24Å; L306-L310 PolarHBondContact O-N 2.71Å; N307-L310 PolarHBondContact O-N 2.87Å; L310-N314 PolarHBondContact O-N 2.74Å; L310-N314 PolarHBondContact O-ND2 2.85Å; L310-N314 PolarHBondContact O-OD1 3.43Å; L310-I340 HydrophobicContact CD2-CD1 3.62Å; L310-I340 HydrophobicContact CG-CD1 3.95Å
311	Q	88.6	Confident	87.7	Confident	86 Å²	86	50.3 Å²	50.3	40%	0.402	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-53.5	175.7	-178.9	174.2	2	0	0	110.8	N307 R313 N314 E315	N307-Q311 WeakPolarHBondContact O-CB 3.31Å; N307-Q311 PolarHBondContact O-N 3.38Å; Q311-R313 VanDerWaalsContact C-N 3.3Å; Q311-R313 PolarHBondContact O-N 3.49Å; Q311-N314 WeakPolarHBondContact O-CB 3.46Å; Q311-N314 PolarHBondContact O-N 3.12Å; Q311-E315 HydrophobicContact CG-CG 4.37Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.43Å; Q311-E315 PolarHBondContact NE2-OE1 3.44Å; Q311-E315 PolarHBondContact O-N 3.28Å
312	L	89.1	Confident	87.9	Confident	6 Å²	6	47 Å²	47	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-38.1	-179.5	-174	59.9	0	0	0	112.6	V245 K308 N314 D316 F319	V245-L312 HydrophobicContact CG1-CD2 4.12Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 PolarHBondContact O-N 3.12Å; L312-N314 VanDerWaalsContact C-N 3.3Å; L312-N314 PolarHBondContact O-N 3.03Å; L312-D316 HydrophobicContact CD1-CB 4Å; L312-D316 WeakPolarHBondContact O-CA 3.28Å; L312-D316 VanDerWaalsContact O-CB 3.3Å; L312-D316 WeakPolarHBondContact O-CB 3.47Å; L312-D316 PolarHBondContact O-N 3.15Å; L312-F319 HydrophobicContact CB-CD1 4.47Å; L312-F319 HydrophobicContact CB-CE1 4.45Å; L312-F319 HydrophobicContact CD2-CD1 4Å; L312-F319 HydrophobicContact CD2-CD2 3.86Å; L312-F319 HydrophobicContact CD2-CE1 3.8Å; L312-F319 HydrophobicContact CD2-CE2 3.64Å; L312-F319 HydrophobicContact CD2-CG 4.05Å; L312-F319 HydrophobicContact CD2-CZ 3.63Å; L312-F319 HydrophobicContact CG-CD1 3.76Å; L312-F319 HydrophobicContact CG-CD2 4.25Å; L312-F319 HydrophobicContact CG-CE1 3.97Å; L312-F319 HydrophobicContact CG-CE2 4.42Å; L312-F319 HydrophobicContact CG-CG 3.93Å; L312-F319 HydrophobicContact CG-CZ 4.3Å
313	R	88.3	Confident	88	Confident	15 Å²	15	45.8 Å²	45.8	6%	0.057	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-15.2	174.1	-71.4	-178.1	72.4	159.3	10.8	115	L309 Q311 F319 D320 E327	L309-R313 WeakPolarHBondContact O-CB 3.34Å; L309-R313 WeakPolarHBondContact O-CG 3.36Å; L309-R313 PolarHBondContact O-N 2.9Å; L309-R313 VanDerWaalsContact O-N 3.14Å; Q311-R313 VanDerWaalsContact C-N 3.3Å; Q311-R313 PolarHBondContact O-N 3.49Å; R313-F319 HydrophobicContact CG-CD1 3.81Å; R313-F319 HydrophobicContact CG-CE1 3.78Å; R313-D320 HydrophobicContact CB-CB 4.22Å; R313-D320 HydrophobicContact CG-CB 4.44Å; R313-D320 IonicContact CZ-OD1 2.7Å; R313-D320 IonicContact NE-OD1 2.65Å; R313-D320 PolarHBondContact NE-OD1 2.9Å; R313-D320 IonicContact NH2-OD1 3.82Å; R313-D320 PolarHBondContact NH2-OD1 3.36Å; R313-D320 WeakPolarHBondContact O-CB 3.46Å; R313-E327 IonicContact CZ-OE1 2.61Å; R313-E327 IonicContact CZ-OE2 2.71Å; R313-E327 VanDerWaalsContact NH1-CD 3.28Å; R313-E327 IonicContact NH1-OE1 3.82Å; R313-E327 PolarHBondContact NH1-OE1 3.01Å; R313-E327 IonicContact NH1-OE2 2.82Å; R313-E327 PolarHBondContact NH1-OE2 3.39Å; R313-E327 VanDerWaalsContact NH1-OE2 3.16Å; R313-E327 IonicContact NH2-OE1 3.53Å; R313-E327 IonicContact NH2-OE2 2.72Å; R313-E327 PolarHBondContact NH2-OE2 2.98Å
314	N	85.7	Confident	88.1	Confident	110 Å²	110	43.6 Å²	43.6	59%	0.588	21%	0.212	S	C	*	.	H	α-helix	trans	-91.8	-34.4	174.7	-67.7	-19.7	0	0	0	111.4	L310 Q311 L312	L310-N314 PolarHBondContact O-N 2.74Å; L310-N314 PolarHBondContact O-ND2 2.85Å; L310-N314 PolarHBondContact O-OD1 3.43Å; Q311-N314 WeakPolarHBondContact O-CB 3.46Å; Q311-N314 PolarHBondContact O-N 3.12Å; L312-N314 VanDerWaalsContact C-N 3.3Å; L312-N314 PolarHBondContact O-N 3.03Å
315	E	88.2	Confident	87.9	Confident	105 Å²	105	41 Å²	41	49%	0.491	20%	0.198	S	C	.	.	H	α-helix	trans	-82.6	-42.9	179.9	-67.8	175.5	-170.8	0	0	112.4	H239 Q311	H239-E315 IonicContact CE1-OE2 3.38Å; H239-E315 PolarHBondContact CE1-OE2 2.92Å; H239-E315 VanDerWaalsContact CE1-OE2 3.24Å; H239-E315 IonicContact NE2-OE2 3.5Å; Q311-E315 HydrophobicContact CG-CG 4.37Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.43Å; Q311-E315 PolarHBondContact NE2-OE1 3.44Å; Q311-E315 PolarHBondContact O-N 3.28Å
316	D	88.3	Confident	87.8	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.118	20%	0.197	C	C	.	.			trans	-107.9	109.8	-172.3	-166.7	-44.9	0	0	0	111.9	R233 L312 E318 F319 D320	R233-D316 IonicContact CZ-OD1 3.6Å; R233-D316 IonicContact CZ-OD2 3.54Å; R233-D316 IonicContact NH1-OD1 3.56Å; R233-D316 PolarHBondContact NH1-OD1 2.92Å; R233-D316 IonicContact NH1-OD2 3.58Å; R233-D316 PolarHBondContact NH1-OD2 3.18Å; R233-D316 IonicContact NH2-OD2 3.81Å; R233-D316 PolarHBondContact NH2-OD2 2.81Å; L312-D316 HydrophobicContact CD1-CB 4Å; L312-D316 WeakPolarHBondContact O-CA 3.28Å; L312-D316 VanDerWaalsContact O-CB 3.3Å; L312-D316 WeakPolarHBondContact O-CB 3.47Å; L312-D316 PolarHBondContact O-N 3.15Å; D316-E318 PolarHBondContact OD1-N 3.43Å; D316-F319 HydrophobicContact CB-CB 3.77Å; D316-F319 WeakPolarHBondContact OD1-CB 3.44Å; D316-F319 PolarHBondContact OD1-N 3.44Å; D316-D320 PolarHBondContact O-N 3.44Å
317	K	85.9	Confident	87.7	Confident	128 Å²	128	39.2 Å²	39.2	56%	0.557	19%	0.188	S	C	*	.	H	α-helix	trans	-75.1	-35.8	-174	-66.6	172	-172.7	164.5	0	112.4	D320 E321	K317-D320 PolarHBondContact O-N 3.01Å; K317-E321 WeakPolarHBondContact O-CB 3.35Å; K317-E321 PolarHBondContact O-N 3.44Å
318	E	86.8	Confident	87.4	Confident	73 Å²	73	35.9 Å²	35.9	34%	0.341	17%	0.171	S	C	.	.	H	α-helix	trans	-71.3	-35.1	177.2	-64.1	75.4	-128.1	0	0	110.5	V231 R233 L235 D316 A322	V231-E318 HydrophobicContact CG1-CG 4.3Å; R233-E318 IonicContact CZ-OE2 3.72Å; R233-E318 IonicContact NH1-OE2 2.81Å; R233-E318 PolarHBondContact NH1-OE2 3.29Å; L235-E318 HydrophobicContact CD2-CB 3.99Å; D316-E318 PolarHBondContact OD1-N 3.43Å; E318-A322 VanDerWaalsContact O-CB 3.26Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.42Å
319	F	90.7	Very high	86.9	Confident	1 Å²	1	37 Å²	37	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-40.5	172.8	-175.2	-85.7	0	0	0	113	Y220 M224 L235 V246 L309 L312 R313 D316 T323	Y220-F319 WeakPolarHBondContact OH-CZ 3.28Å; M224-F319 HydrophobicContact CG-CE2 4.46Å; M224-F319 HydrophobicContact SD-CD2 4.31Å; M224-F319 HydrophobicContact SD-CE2 3.96Å; M224-F319 HydrophobicContact SD-CZ 4.35Å; L235-F319 HydrophobicContact CB-CD2 4.4Å; V246-F319 HydrophobicContact CG2-CE2 3.79Å; V246-F319 HydrophobicContact CG2-CZ 3.6Å; L309-F319 HydrophobicContact CD1-CE1 3.66Å; L309-F319 HydrophobicContact CD1-CZ 3.74Å; L312-F319 HydrophobicContact CB-CD1 4.47Å; L312-F319 HydrophobicContact CB-CE1 4.45Å; L312-F319 HydrophobicContact CD2-CD1 4Å; L312-F319 HydrophobicContact CD2-CD2 3.86Å; L312-F319 HydrophobicContact CD2-CE1 3.8Å; L312-F319 HydrophobicContact CD2-CE2 3.64Å; L312-F319 HydrophobicContact CD2-CG 4.05Å; L312-F319 HydrophobicContact CD2-CZ 3.63Å; L312-F319 HydrophobicContact CG-CD1 3.76Å; L312-F319 HydrophobicContact CG-CD2 4.25Å; L312-F319 HydrophobicContact CG-CE1 3.97Å; L312-F319 HydrophobicContact CG-CE2 4.42Å; L312-F319 HydrophobicContact CG-CG 3.93Å; L312-F319 HydrophobicContact CG-CZ 4.3Å; R313-F319 HydrophobicContact CG-CD1 3.81Å; R313-F319 HydrophobicContact CG-CE1 3.78Å; D316-F319 HydrophobicContact CB-CB 3.77Å; D316-F319 WeakPolarHBondContact OD1-CB 3.44Å; D316-F319 PolarHBondContact OD1-N 3.44Å; F319-T323 WeakPolarHBondContact CE1-OG1 3.49Å; F319-T323 VanDerWaalsContact O-CB 3.28Å; F319-T323 WeakPolarHBondContact O-CB 3.2Å; F319-T323 PolarHBondContact O-N 3.33Å; F319-T323 PolarHBondContact O-OG1 2.95Å
320	D	88.1	Confident	86.3	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-41.4	173.7	-175.7	47.4	0	0	0	111.9	R313 D316 K317 T323 Y324	R313-D320 HydrophobicContact CB-CB 4.22Å; R313-D320 HydrophobicContact CG-CB 4.44Å; R313-D320 IonicContact CZ-OD1 2.7Å; R313-D320 IonicContact NE-OD1 2.65Å; R313-D320 PolarHBondContact NE-OD1 2.9Å; R313-D320 IonicContact NH2-OD1 3.82Å; R313-D320 PolarHBondContact NH2-OD1 3.36Å; R313-D320 WeakPolarHBondContact O-CB 3.46Å; D316-D320 PolarHBondContact O-N 3.44Å; K317-D320 PolarHBondContact O-N 3.01Å; D320-T323 PolarHBondContact O-N 3.24Å; D320-Y324 WeakPolarHBondContact O-CB 3.32Å; D320-Y324 PolarHBondContact O-N 2.89Å
321	E	86.4	Confident	85.6	Confident	11 Å²	11	36.7 Å²	36.7	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-46.8	174.7	-170.3	172.8	136.5	0	0	111.4	F227 K317 T323 Y324 M325 R530 H531 N534	F227-E321 HydrophobicContact CZ-CB 4.46Å; F227-E321 HydrophobicContact CZ-CG 4.07Å; K317-E321 WeakPolarHBondContact O-CB 3.35Å; K317-E321 PolarHBondContact O-N 3.44Å; E321-T323 PolarHBondContact O-N 3.35Å; E321-Y324 PolarHBondContact O-N 3.3Å; E321-M325 WeakPolarHBondContact O-CG 3.29Å; E321-M325 PolarHBondContact O-N 2.81Å; E321-R530 WeakPolarHBondContact OE2-CB 3.4Å; E321-H531 HydrophobicContact CG-CB 4.3Å; E321-H531 WeakPolarHBondContact OE1-CA 3.23Å; E321-N534 PolarHBondContact OE1-ND2 2.93Å; E321-N534 PolarHBondContact OE2-ND2 3.01Å
322	A	89.4	Confident	84.5	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-45.3	175.8	0	0	0	0	0	112.2	Y223 M224 F227 L235 E318 M325 F326	Y223-A322 WeakPolarHBondContact CE1-O 3.44Å; M224-A322 VanDerWaalsContact CE-C 3.5Å; M224-A322 HydrophobicContact CE-CB 3.77Å; M224-A322 WeakPolarHBondContact CE-O 3.28Å; M224-A322 HydrophobicContact SD-CB 4.04Å; F227-A322 HydrophobicContact CB-CB 3.93Å; F227-A322 HydrophobicContact CD1-CB 3.53Å; F227-A322 HydrophobicContact CD2-CB 3.92Å; F227-A322 HydrophobicContact CE1-CB 3.92Å; F227-A322 HydrophobicContact CE2-CB 4.3Å; F227-A322 HydrophobicContact CG-CB 3.52Å; F227-A322 HydrophobicContact CZ-CB 4.3Å; L235-A322 HydrophobicContact CD1-CB 3.77Å; E318-A322 VanDerWaalsContact O-CB 3.26Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.42Å; A322-M325 PolarHBondContact O-N 3.48Å; A322-F326 PolarHBondContact O-N 3.49Å; A322-F326 VanDerWaalsContact O-N 3.15Å
323	T	89.8	Confident	82.5	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-41.3	177.3	-62.3	0	0	0	0	111.1	Y220 F319 D320 E321 F326 E327 V339	Y220-T323 HydrophobicContact CE2-CG2 3.97Å; Y220-T323 WeakPolarHBondContact OH-CG2 3.24Å; Y220-T323 PolarHBondContact OH-OG1 2.94Å; F319-T323 WeakPolarHBondContact CE1-OG1 3.49Å; F319-T323 VanDerWaalsContact O-CB 3.28Å; F319-T323 WeakPolarHBondContact O-CB 3.2Å; F319-T323 PolarHBondContact O-N 3.33Å; F319-T323 PolarHBondContact O-OG1 2.95Å; D320-T323 PolarHBondContact O-N 3.24Å; E321-T323 PolarHBondContact O-N 3.35Å; T323-F326 PolarHBondContact O-N 3.12Å; T323-E327 VanDerWaalsContact O-CG 3.28Å; T323-E327 WeakPolarHBondContact O-CG 3.35Å; T323-E327 PolarHBondContact O-N 3.36Å; T323-V339 HydrophobicContact CG2-CB 4.3Å; T323-V339 HydrophobicContact CG2-CG2 4.06Å
324	Y	85.4	Confident	80.6	Confident	8 Å²	8	51.7 Å²	51.7	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-43.6	176.5	175.5	-98.8	0	0	0	112.6	D320 E321 F326 E327 T328 Q524 A527 V528	D320-Y324 WeakPolarHBondContact O-CB 3.32Å; D320-Y324 PolarHBondContact O-N 2.89Å; E321-Y324 PolarHBondContact O-N 3.3Å; Y324-F326 VanDerWaalsContact C-N 3.33Å; Y324-F326 PolarHBondContact O-N 3.48Å; Y324-E327 CarbonylContact O-C 3.59Å; Y324-E327 WeakPolarHBondContact O-CA 3.49Å; Y324-E327 WeakPolarHBondContact O-CB 3.47Å; Y324-E327 PolarHBondContact O-N 3.48Å; Y324-E327 VanDerWaalsContact O-N 3.08Å; Y324-T328 HydrophobicContact CD1-CG2 4.29Å; Y324-T328 HydrophobicContact CE1-CG2 3.53Å; Y324-T328 HydrophobicContact CE2-CG2 3.84Å; Y324-T328 PolarHBondContact O-N 2.98Å; Y324-T328 WeakPolarHBondContact OH-CG2 3.4Å; Y324-Q524 HydrophobicContact CD2-CB 4.32Å; Y324-Q524 HydrophobicContact CE2-CB 3.68Å; Y324-Q524 HydrophobicContact CE2-CG 3.64Å; Y324-A527 HydrophobicContact CD1-CB 3.4Å; Y324-A527 VanDerWaalsContact CD1-CB 3.4Å; Y324-A527 HydrophobicContact CD2-CB 4.03Å; Y324-A527 HydrophobicContact CE1-CB 4.16Å; Y324-A527 HydrophobicContact CG-CB 3.33Å; Y324-V528 HydrophobicContact CE1-CB 4.45Å; Y324-V528 HydrophobicContact CE1-CG2 3.45Å; Y324-V528 VanDerWaalsContact CE1-CG2 3.45Å; Y324-V528 WeakPolarHBondContact OH-CG2 3.46Å
325	M	83.8	Confident	79	Confident	22 Å²	22	54.2 Å²	54.2	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-42.7	178.6	-70.5	-58.2	-62.2	0	0	110.9	Y223 F227 E321 A322 E327 T328 E329 H531	Y223-M325 HydrophobicContact CE1-CB 4.2Å; Y223-M325 VanDerWaalsContact OH-CB 3.31Å; Y223-M325 WeakPolarHBondContact OH-CB 3.42Å; F227-M325 HydrophobicContact CE2-CG 4.28Å; E321-M325 WeakPolarHBondContact O-CG 3.29Å; E321-M325 PolarHBondContact O-N 2.81Å; A322-M325 PolarHBondContact O-N 3.48Å; M325-E327 PolarHBondContact O-N 3.45Å; M325-T328 PolarHBondContact O-N 2.89Å; M325-T328 PolarHBondContact O-OG1 3Å; M325-E329 WeakPolarHBondContact O-CG 3.49Å; M325-E329 PolarHBondContact O-N 3.47Å; M325-H531 HydrophobicContact SD-CB 3.98Å
326	F	88	Confident	77.5	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-44.1	169.3	178.5	-91.5	0	0	0	113	L219 Y220 Y223 M224 A322 T323 Y324 T328 E329 V330 F331 V339	L219-F326 HydrophobicContact CB-CE2 4.02Å; Y220-F326 VanDerWaalsContact CA-CE2 3.49Å; Y220-F326 HydrophobicContact CD2-CB 4.38Å; Y220-F326 AromaticContact CD2-CD1 3.59Å; Y220-F326 HydrophobicContact CD2-CD1 3.59Å; Y220-F326 HydrophobicContact CD2-CD2 4.2Å; Y220-F326 AromaticContact CD2-CE1 3.86Å; Y220-F326 HydrophobicContact CD2-CE1 3.86Å; Y220-F326 HydrophobicContact CD2-CE2 4.42Å; Y220-F326 AromaticContact CD2-CG 3.79Å; Y220-F326 HydrophobicContact CD2-CG 3.79Å; Y220-F326 HydrophobicContact CD2-CZ 4.28Å; Y220-F326 HydrophobicContact CE2-CD1 4.28Å; Y220-F326 HydrophobicContact CG-CD1 4.32Å; Y220-F326 HydrophobicContact CG-CE1 4.12Å; Y220-F326 HydrophobicContact CG-CZ 4.31Å; Y223-F326 HydrophobicContact CD1-CB 3.93Å; Y223-F326 HydrophobicContact CD2-CD2 4.16Å; Y223-F326 HydrophobicContact CE1-CB 4.26Å; Y223-F326 HydrophobicContact CG-CB 4.11Å; Y223-F326 AromaticContact CG-CD2 3.88Å; Y223-F326 HydrophobicContact CG-CD2 3.88Å; Y223-F326 HydrophobicContact CG-CG 4.48Å; M224-F326 HydrophobicContact CE-CB 4.45Å; A322-F326 PolarHBondContact O-N 3.49Å; A322-F326 VanDerWaalsContact O-N 3.15Å; T323-F326 PolarHBondContact O-N 3.12Å; Y324-F326 VanDerWaalsContact C-N 3.33Å; Y324-F326 PolarHBondContact O-N 3.48Å; F326-T328 PolarHBondContact O-N 3.31Å; F326-E329 PolarHBondContact O-N 2.99Å; F326-V330 HydrophobicContact CD2-CB 4.09Å; F326-V330 HydrophobicContact CD2-CG2 3.63Å; F326-V330 HydrophobicContact CE1-CB 4.48Å; F326-V330 HydrophobicContact CE2-CB 3.78Å; F326-V330 HydrophobicContact CE2-CG1 3.94Å; F326-V330 HydrophobicContact CE2-CG2 3.53Å; F326-V330 HydrophobicContact CG-CG2 4.44Å; F326-V330 HydrophobicContact CZ-CB 3.98Å; F326-V330 HydrophobicContact CZ-CG1 3.88Å; F326-V330 HydrophobicContact CZ-CG2 4.25Å; F326-V330 PolarHBondContact O-N 3.42Å; F326-F331 HydrophobicContact CE1-CD1 4.47Å; F326-F331 AromaticContact CE1-CE1 3.97Å; F326-F331 HydrophobicContact CE1-CE1 3.97Å; F326-F331 HydrophobicContact CE1-CE2 4.02Å; F326-F331 AromaticContact CE1-CZ 3.72Å; F326-F331 HydrophobicContact CE1-CZ 3.72Å; F326-F331 HydrophobicContact CZ-CE1 4.34Å; F326-F331 HydrophobicContact CZ-CZ 4.44Å; F326-V339 HydrophobicContact CD1-CG2 3.86Å; F326-V339 HydrophobicContact CE1-CG2 4.04Å
327	E	85.4	Confident	76.4	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-22	174.1	-71.5	170.7	152	0	0	113.4	R313 T323 Y324 M325 F331 A338 V339	R313-E327 IonicContact CZ-OE1 2.61Å; R313-E327 IonicContact CZ-OE2 2.71Å; R313-E327 VanDerWaalsContact NH1-CD 3.28Å; R313-E327 IonicContact NH1-OE1 3.82Å; R313-E327 PolarHBondContact NH1-OE1 3.01Å; R313-E327 IonicContact NH1-OE2 2.82Å; R313-E327 PolarHBondContact NH1-OE2 3.39Å; R313-E327 VanDerWaalsContact NH1-OE2 3.16Å; R313-E327 IonicContact NH2-OE1 3.53Å; R313-E327 IonicContact NH2-OE2 2.72Å; R313-E327 PolarHBondContact NH2-OE2 2.98Å; T323-E327 VanDerWaalsContact O-CG 3.28Å; T323-E327 WeakPolarHBondContact O-CG 3.35Å; T323-E327 PolarHBondContact O-N 3.36Å; Y324-E327 CarbonylContact O-C 3.59Å; Y324-E327 WeakPolarHBondContact O-CA 3.49Å; Y324-E327 WeakPolarHBondContact O-CB 3.47Å; Y324-E327 PolarHBondContact O-N 3.48Å; Y324-E327 VanDerWaalsContact O-N 3.08Å; M325-E327 PolarHBondContact O-N 3.45Å; E327-F331 HydrophobicContact CG-CD2 4.33Å; E327-F331 WeakPolarHBondContact O-CB 3.1Å; E327-A338 WeakPolarHBondContact OE1-CA 3.49Å; E327-A338 WeakPolarHBondContact OE1-CB 3.29Å; E327-V339 HydrophobicContact CG-CG2 3.8Å; E327-V339 PolarHBondContact OE1-N 3.35Å
328	T	78.9	Confident	75.9	Confident	24 Å²	24	46.1 Å²	46.1	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-91.1	-44.8	174.3	64.6	0	0	0	0	113.8	Y324 M325 F326 K332 R333	Y324-T328 HydrophobicContact CD1-CG2 4.29Å; Y324-T328 HydrophobicContact CE1-CG2 3.53Å; Y324-T328 HydrophobicContact CE2-CG2 3.84Å; Y324-T328 PolarHBondContact O-N 2.98Å; Y324-T328 WeakPolarHBondContact OH-CG2 3.4Å; M325-T328 PolarHBondContact O-N 2.89Å; M325-T328 PolarHBondContact O-OG1 3Å; F326-T328 PolarHBondContact O-N 3.31Å; T328-K332 PolarHBondContact O-N 3.49Å; T328-R333 PolarHBondContact O-N 3.36Å
329	E	80.2	Confident	75.8	Confident	101 Å²	101	42.6 Å²	42.6	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-74.9	-52.5	-173.4	-69.6	178.2	-131.8	0	0	111.7	Y223 M325 F326	Y223-E329 WeakPolarHBondContact CE2-OE2 3.29Å; Y223-E329 PolarHBondContact OH-OE1 2.97Å; M325-E329 WeakPolarHBondContact O-CG 3.49Å; M325-E329 PolarHBondContact O-N 3.47Å; F326-E329 PolarHBondContact O-N 2.99Å
330	V	77.9	Confident	75.4	Confident	38 Å²	38	43.5 Å²	43.5	23%	0.23	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-41.3	-171.1	-179.1	0	0	0	0	111.3	E215 L219 F326 K332	E215-V330 HydrophobicContact CG-CG1 3.88Å; L219-V330 HydrophobicContact CD1-CG1 4.3Å; F326-V330 HydrophobicContact CD2-CB 4.09Å; F326-V330 HydrophobicContact CD2-CG2 3.63Å; F326-V330 HydrophobicContact CE1-CB 4.48Å; F326-V330 HydrophobicContact CE2-CB 3.78Å; F326-V330 HydrophobicContact CE2-CG1 3.94Å; F326-V330 HydrophobicContact CE2-CG2 3.53Å; F326-V330 HydrophobicContact CG-CG2 4.44Å; F326-V330 HydrophobicContact CZ-CB 3.98Å; F326-V330 HydrophobicContact CZ-CG1 3.88Å; F326-V330 HydrophobicContact CZ-CG2 4.25Å; F326-V330 PolarHBondContact O-N 3.42Å; V330-K332 VanDerWaalsContact C-N 3.29Å; V330-K332 PolarHBondContact O-N 2.92Å
331	F	73.3	Confident	75	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.1	-180	-72.1	-10.7	0	0	0	114.6	E215 M216 F326 E327 K336 V339 Q342	E215-F331 HydrophobicContact CB-CE1 4.17Å; M216-F331 HydrophobicContact SD-CZ 4.2Å; F326-F331 HydrophobicContact CE1-CD1 4.47Å; F326-F331 AromaticContact CE1-CE1 3.97Å; F326-F331 HydrophobicContact CE1-CE1 3.97Å; F326-F331 HydrophobicContact CE1-CE2 4.02Å; F326-F331 AromaticContact CE1-CZ 3.72Å; F326-F331 HydrophobicContact CE1-CZ 3.72Å; F326-F331 HydrophobicContact CZ-CE1 4.34Å; F326-F331 HydrophobicContact CZ-CZ 4.44Å; E327-F331 HydrophobicContact CG-CD2 4.33Å; E327-F331 WeakPolarHBondContact O-CB 3.1Å; F331-K336 HydrophobicContact CB-CB 3.79Å; F331-K336 HydrophobicContact CD1-CB 4.25Å; F331-K336 HydrophobicContact CD1-CD 3.95Å; F331-K336 HydrophobicContact CG-CB 4.01Å; F331-K336 WeakPolarHBondContact O-CB 3.43Å; F331-K336 PolarHBondContact O-N 3.18Å; F331-V339 HydrophobicContact CE2-CB 4.4Å; F331-V339 HydrophobicContact CE2-CG2 3.67Å; F331-V339 HydrophobicContact CZ-CG2 4.31Å; F331-Q342 HydrophobicContact CD2-CG 4.38Å; F331-Q342 HydrophobicContact CE2-CB 4.23Å; F331-Q342 HydrophobicContact CE2-CG 3.79Å; F331-Q342 HydrophobicContact CZ-CB 4.19Å; F331-Q342 HydrophobicContact CZ-CG 3.91Å
332	K	65.1	Low	74.8	Confident	155 Å²	155	45.1 Å²	45.1	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	88.7	175.6	-64.2	-171.9	178.9	-175.6	0	113.7	T328 V330 G334 K335	T328-K332 PolarHBondContact O-N 3.49Å; V330-K332 VanDerWaalsContact C-N 3.29Å; V330-K332 PolarHBondContact O-N 2.92Å; K332-G334 PolarHBondContact O-N 3.27Å; K332-G334 VanDerWaalsContact O-N 3.1Å; K332-K335 PolarHBondContact O-N 3.14Å
333	R	47.9	Very low	74.6	Confident	196 Å²	196	45.1 Å²	45.1	74%	0.74	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	8.2	85.1	173.9	-91.7	-171.4	171.2	179.3	-1	114.9	T328	T328-R333 PolarHBondContact O-N 3.36Å
334	G	47.9	Very low	74.2	Confident	72 Å²	72	46.2 Å²	46.2	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-9.9	168.4	0	0	0	0	0	116.9	K332	K332-G334 PolarHBondContact O-N 3.27Å; K332-G334 VanDerWaalsContact O-N 3.1Å
335	K	52.6	Low	74.1	Confident	163 Å²	163	46.9 Å²	46.9	71%	0.709	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-32.2	174.7	-76.7	-170.8	175.9	-177	0	113.3	D170 K332	D170-K335 IonicContact OD2-NZ 3.24Å; D170-K335 PolarHBondContact OD2-NZ 2.77Å; K332-K335 PolarHBondContact O-N 3.14Å
336	K	55.6	Low	74.3	Confident	57 Å²	57	45.9 Å²	45.9	25%	0.248	23%	0.232	C	C	.	.	S	Bend	trans	-115.7	6.1	-179.2	-72	-177.5	169.4	-171.9	0	117.1	E215 F331 Q342	E215-K336 IonicContact OE1-NZ 2.68Å; E215-K336 PolarHBondContact OE1-NZ 2.84Å; E215-K336 IonicContact OE2-NZ 3.69Å; E215-K336 PolarHBondContact OE2-NZ 2.59Å; F331-K336 HydrophobicContact CB-CB 3.79Å; F331-K336 HydrophobicContact CD1-CB 4.25Å; F331-K336 HydrophobicContact CD1-CD 3.95Å; F331-K336 HydrophobicContact CG-CB 4.01Å; F331-K336 WeakPolarHBondContact O-CB 3.43Å; F331-K336 PolarHBondContact O-N 3.18Å; K336-Q342 WeakPolarHBondContact O-CG 3.4Å; K336-Q342 PolarHBondContact O-NE2 2.83Å
337	G	64.9	Low	74.1	Confident	25 Å²	25	46.9 Å²	46.9	26%	0.258	24%	0.237	S	C	.	.			trans	67.3	-154.7	176.7	0	0	0	0	0	114.8
338	A	76.1	Confident	73.8	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.017	24%	0.236	C	C	.	.			trans	-94.3	157.6	-176.8	0	0	0	0	0	113.3	E327 I340 Q341 Q342 Y520	E327-A338 WeakPolarHBondContact OE1-CA 3.49Å; E327-A338 WeakPolarHBondContact OE1-CB 3.29Å; A338-I340 VanDerWaalsContact C-N 3.26Å; A338-I340 PolarHBondContact O-N 2.67Å; A338-Q341 HydrophobicContact CB-CB 4.22Å; A338-Q341 HydrophobicContact CB-CG 4.04Å; A338-Q341 CarbonylContact O-C 3.53Å; A338-Q341 WeakPolarHBondContact O-CB 3.29Å; A338-Q341 PolarHBondContact O-N 2.74Å; A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 WeakPolarHBondContact O-CG 3.46Å; A338-Q342 PolarHBondContact O-N 3.08Å; A338-Y520 HydrophobicContact CB-CD2 4.48Å; A338-Y520 HydrophobicContact CB-CE2 3.59Å
339	V	83.9	Confident	74.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-54.2	-44.4	171.2	171.9	0	0	0	0	111	M216 Y220 L309 T323 F326 E327 F331 Q341 Q342 L343	M216-V339 HydrophobicContact CE-CG1 3.83Å; M216-V339 HydrophobicContact SD-CG1 4.26Å; Y220-V339 HydrophobicContact CD1-CG1 4.42Å; Y220-V339 HydrophobicContact CD2-CG2 4.43Å; Y220-V339 HydrophobicContact CE1-CG1 3.95Å; Y220-V339 HydrophobicContact CE2-CG2 4.24Å; L309-V339 HydrophobicContact CD2-CG1 3.84Å; T323-V339 HydrophobicContact CG2-CB 4.3Å; T323-V339 HydrophobicContact CG2-CG2 4.06Å; F326-V339 HydrophobicContact CD1-CG2 3.86Å; F326-V339 HydrophobicContact CE1-CG2 4.04Å; E327-V339 HydrophobicContact CG-CG2 3.8Å; E327-V339 PolarHBondContact OE1-N 3.35Å; F331-V339 HydrophobicContact CE2-CB 4.4Å; F331-V339 HydrophobicContact CE2-CG2 3.67Å; F331-V339 HydrophobicContact CZ-CG2 4.31Å; V339-Q341 VanDerWaalsContact C-N 3.31Å; V339-Q341 PolarHBondContact O-N 3.27Å; V339-Q342 PolarHBondContact O-N 3.01Å; V339-Q342 VanDerWaalsContact O-N 3.13Å; V339-L343 PolarHBondContact O-N 3.01Å; V339-L343 VanDerWaalsContact O-N 3.09Å
340	I	82.4	Confident	74.5	Confident	20 Å²	20	41.1 Å²	41.1	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-38.5	178.2	-65.6	156.3	0	0	0	111.7	L306 L309 L310 A338 L343	L306-I340 HydrophobicContact CD1-CG2 3.7Å; L306-I340 HydrophobicContact CG-CG2 3.91Å; L309-I340 HydrophobicContact CD2-CG1 3.82Å; L309-I340 HydrophobicContact CG-CG1 4.23Å; L310-I340 HydrophobicContact CD2-CD1 3.62Å; L310-I340 HydrophobicContact CG-CD1 3.95Å; A338-I340 VanDerWaalsContact C-N 3.26Å; A338-I340 PolarHBondContact O-N 2.67Å; I340-L343 PolarHBondContact O-N 3.33Å
341	Q	79.2	Confident	74.7	Confident	45 Å²	45	39.8 Å²	39.8	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-74.3	-30.3	176.9	-69.5	164.1	-7.8	0	0	112	A338 V339 L343 D344 G417	A338-Q341 HydrophobicContact CB-CB 4.22Å; A338-Q341 HydrophobicContact CB-CG 4.04Å; A338-Q341 CarbonylContact O-C 3.53Å; A338-Q341 WeakPolarHBondContact O-CB 3.29Å; A338-Q341 PolarHBondContact O-N 2.74Å; V339-Q341 VanDerWaalsContact C-N 3.31Å; V339-Q341 PolarHBondContact O-N 3.27Å; Q341-L343 VanDerWaalsContact C-N 3.32Å; Q341-D344 PolarHBondContact O-N 2.96Å; Q341-G417 PolarHBondContact O-N 2.86Å
342	Q	83.1	Confident	75.3	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-73.8	-20.1	176.5	-76.4	-65.3	-33	0	0	112.5	Y212 F331 K336 A338 V339 D344 Q345 P416	Y212-Q342 HydrophobicContact CD2-CB 4.25Å; Y212-Q342 VanDerWaalsContact CD2-OE1 3.29Å; Y212-Q342 HydrophobicContact CE2-CB 3.86Å; Y212-Q342 WeakPolarHBondContact CE2-O 3.37Å; Y212-Q342 PolarHBondContact OH-O 3.46Å; F331-Q342 HydrophobicContact CD2-CG 4.38Å; F331-Q342 HydrophobicContact CE2-CB 4.23Å; F331-Q342 HydrophobicContact CE2-CG 3.79Å; F331-Q342 HydrophobicContact CZ-CB 4.19Å; F331-Q342 HydrophobicContact CZ-CG 3.91Å; K336-Q342 WeakPolarHBondContact O-CG 3.4Å; K336-Q342 PolarHBondContact O-NE2 2.83Å; A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 WeakPolarHBondContact O-CG 3.46Å; A338-Q342 PolarHBondContact O-N 3.08Å; V339-Q342 PolarHBondContact O-N 3.01Å; V339-Q342 VanDerWaalsContact O-N 3.13Å; Q342-D344 PolarHBondContact O-N 3.12Å; Q342-Q345 WeakPolarHBondContact O-CB 3.4Å; Q342-Q345 PolarHBondContact O-N 3.16Å; Q342-P416 VanDerWaalsContact NE2-CB 3.25Å
343	L	85.4	Confident	76.5	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.6	169.8	-63.1	-176.8	0	0	0	113.1	M216 I249 F298 F305 L309 V339 I340 Q341 Q345	M216-L343 HydrophobicContact CE-CD2 4.08Å; I249-L343 HydrophobicContact CD1-CD1 4.5Å; I249-L343 HydrophobicContact CD1-CD2 4.15Å; F298-L343 WeakPolarHBondContact CE1-O 3.46Å; F298-L343 HydrophobicContact CE2-CD2 4.36Å; F298-L343 HydrophobicContact CZ-CB 4.17Å; F298-L343 HydrophobicContact CZ-CD2 4.06Å; F305-L343 HydrophobicContact CB-CD1 4.5Å; L309-L343 HydrophobicContact CD2-CD1 4.26Å; V339-L343 PolarHBondContact O-N 3.01Å; V339-L343 VanDerWaalsContact O-N 3.09Å; I340-L343 PolarHBondContact O-N 3.33Å; Q341-L343 VanDerWaalsContact C-N 3.32Å; L343-Q345 PolarHBondContact O-N 3.28Å
344	D	80.4	Confident	78.5	Confident	23 Å²	23	25.6 Å²	25.6	12%	0.123	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.3	173	-76.1	-45.2	0	0	0	113.5	K302 Q341 Q342 V346 H347 Q348	K302-D344 IonicContact NZ-OD1 3.14Å; K302-D344 PolarHBondContact NZ-OD1 2.91Å; Q341-D344 PolarHBondContact O-N 2.96Å; Q342-D344 PolarHBondContact O-N 3.12Å; D344-V346 PolarHBondContact O-N 3.2Å; D344-H347 PolarHBondContact O-N 3.49Å; D344-Q348 WeakPolarHBondContact O-CG 2.92Å; D344-Q348 PolarHBondContact O-N 3.42Å
345	Q	83.4	Confident	80.2	Confident	22 Å²	22	22.4 Å²	22.4	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-30.9	-171.8	-174.8	63.8	110.9	0	0	112.7	Y209 Y212 Q342 L343 N349 P416	Y209-Q345 HydrophobicContact CD2-CG 4.06Å; Y209-Q345 HydrophobicContact CE2-CG 4.43Å; Y212-Q345 HydrophobicContact CD1-CB 4.14Å; Y212-Q345 HydrophobicContact CD1-CG 3.83Å; Y212-Q345 HydrophobicContact CD2-CB 4.07Å; Y212-Q345 HydrophobicContact CD2-CG 4.11Å; Y212-Q345 HydrophobicContact CE1-CB 4.02Å; Y212-Q345 HydrophobicContact CE1-CG 4.2Å; Y212-Q345 HydrophobicContact CE2-CB 3.93Å; Y212-Q345 HydrophobicContact CE2-CG 4.45Å; Y212-Q345 HydrophobicContact CG-CB 4.16Å; Y212-Q345 HydrophobicContact CG-CG 3.77Å; Q342-Q345 WeakPolarHBondContact O-CB 3.4Å; Q342-Q345 PolarHBondContact O-N 3.16Å; L343-Q345 PolarHBondContact O-N 3.28Å; Q345-N349 VanDerWaalsContact CD-ND2 3.28Å; Q345-N349 PolarHBondContact NE2-ND2 3.45Å; Q345-N349 WeakPolarHBondContact O-CB 3.02Å; Q345-N349 PolarHBondContact O-N 3.25Å; Q345-N349 PolarHBondContact O-ND2 3.45Å; Q345-P416 HydrophobicContact CB-CG 4.36Å; Q345-P416 HydrophobicContact CG-CG 4.43Å
346	V	88.4	Confident	82	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-50.7	172.6	178.2	0	0	0	0	111.2	Y209 Y212 M253 I256 C295 F298 L299 D344 Q348 F350	Y209-V346 HydrophobicContact CE2-CG2 4.26Å; Y209-V346 WeakPolarHBondContact OH-CG1 3.38Å; Y212-V346 HydrophobicContact CE1-CG2 3.83Å; M253-V346 HydrophobicContact CE-CG2 3.81Å; M253-V346 HydrophobicContact SD-CG2 4.07Å; I256-V346 HydrophobicContact CD1-CG1 4.46Å; C295-V346 HydrophobicContact CB-CG1 3.88Å; F298-V346 HydrophobicContact CD1-CB 3.66Å; F298-V346 HydrophobicContact CD1-CG1 3.62Å; F298-V346 HydrophobicContact CD1-CG2 3.76Å; F298-V346 HydrophobicContact CE1-CB 3.71Å; F298-V346 HydrophobicContact CE1-CG1 4.22Å; F298-V346 HydrophobicContact CE1-CG2 3.7Å; F298-V346 HydrophobicContact CG-CG1 4.41Å; F298-V346 HydrophobicContact CG-CG2 4.44Å; F298-V346 HydrophobicContact CZ-CG2 4.34Å; L299-V346 HydrophobicContact CD2-CB 4.48Å; L299-V346 HydrophobicContact CD2-CG1 4.04Å; L299-V346 HydrophobicContact CG-CG1 4.3Å; D344-V346 PolarHBondContact O-N 3.2Å; V346-Q348 VanDerWaalsContact C-N 3.34Å; V346-Q348 PolarHBondContact O-N 3.27Å; V346-F350 WeakPolarHBondContact O-CB 3.47Å; V346-F350 PolarHBondContact O-N 3.45Å
347	H	83.6	Confident	83.8	Confident	23 Å²	23	12 Å²	12	11%	0.106	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-43.9	179.3	-176.3	-127.9	0	0	0	111	L299 D344 F350 M351	L299-H347 HydrophobicContact CD2-CB 3.55Å; D344-H347 PolarHBondContact O-N 3.49Å; H347-F350 PolarHBondContact O-N 3.47Å; H347-M351 WeakPolarHBondContact O-CG 3.32Å; H347-M351 PolarHBondContact O-N 2.81Å
348	Q	80.2	Confident	84.9	Confident	9 Å²	9	11.9 Å²	11.9	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-64	-45.7	-178.7	-72.3	179.9	-5.1	0	0	112.1	D344 V346 M351 R352 L414 E415 P416 R418	D344-Q348 WeakPolarHBondContact O-CG 2.92Å; D344-Q348 PolarHBondContact O-N 3.42Å; V346-Q348 VanDerWaalsContact C-N 3.34Å; V346-Q348 PolarHBondContact O-N 3.27Å; Q348-M351 PolarHBondContact O-N 3.33Å; Q348-R352 VanDerWaalsContact O-CB 3.24Å; Q348-R352 WeakPolarHBondContact O-CB 3.44Å; Q348-R352 PolarHBondContact O-N 3.4Å; Q348-L414 HydrophobicContact CB-CB 4.12Å; Q348-L414 HydrophobicContact CG-CB 4.27Å; Q348-L414 WeakPolarHBondContact O-CD1 3.3Å; Q348-E415 PolarHBondContact NE2-O 2.82Å; Q348-E415 PolarHBondContact OE1-O 2.66Å; Q348-P416 VanDerWaalsContact OE1-CA 3.29Å; Q348-R418 PolarHBondContact NE2-O 2.76Å
349	N	87.3	Confident	85.4	Confident	4 Å²	4	14.3 Å²	14.3	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-72.3	-37.8	178.6	-73.7	-37.2	0	0	0	112.7	Y209 Q345 M351 R352 Y353	Y209-N349 VanDerWaalsContact CB-ND2 3.27Å; Y209-N349 WeakPolarHBondContact CB-ND2 3.38Å; Y209-N349 HydrophobicContact CD1-CB 3.81Å; Y209-N349 HydrophobicContact CD2-CB 4.1Å; Y209-N349 WeakPolarHBondContact CD2-ND2 3.31Å; Y209-N349 HydrophobicContact CE1-CB 4.02Å; Y209-N349 HydrophobicContact CE2-CB 4.29Å; Y209-N349 HydrophobicContact CG-CB 3.88Å; Q345-N349 VanDerWaalsContact CD-ND2 3.28Å; Q345-N349 PolarHBondContact NE2-ND2 3.45Å; Q345-N349 WeakPolarHBondContact O-CB 3.02Å; Q345-N349 PolarHBondContact O-N 3.25Å; Q345-N349 PolarHBondContact O-ND2 3.45Å; N349-M351 PolarHBondContact O-N 3.32Å; N349-R352 PolarHBondContact O-N 3.02Å; N349-Y353 WeakPolarHBondContact O-CD2 3.49Å; N349-Y353 WeakPolarHBondContact O-CE2 3.24Å; N349-Y353 PolarHBondContact O-N 2.92Å
350	F	86.4	Confident	85.9	Confident	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-51.6	-43.9	169.5	175.4	-100.1	0	0	0	111.9	L292 C295 L299 V346 H347 V384 T385 V388	L292-F350 HydrophobicContact CB-CD2 4.02Å; L292-F350 HydrophobicContact CB-CE2 4.02Å; C295-F350 HydrophobicContact CB-CD2 4.19Å; L299-F350 HydrophobicContact CD1-CD1 4.05Å; L299-F350 HydrophobicContact CD1-CE1 4.32Å; L299-F350 HydrophobicContact CD1-CG 4.17Å; V346-F350 WeakPolarHBondContact O-CB 3.47Å; V346-F350 PolarHBondContact O-N 3.45Å; H347-F350 PolarHBondContact O-N 3.47Å; F350-V384 HydrophobicContact CE2-CG1 3.68Å; F350-V384 HydrophobicContact CZ-CG1 3.79Å; F350-T385 HydrophobicContact CD1-CG2 4.04Å; F350-T385 HydrophobicContact CE1-CG2 3.68Å; F350-T385 HydrophobicContact CZ-CG2 4.05Å; F350-V388 HydrophobicContact CE1-CB 3.84Å; F350-V388 HydrophobicContact CE1-CG1 4.05Å; F350-V388 HydrophobicContact CE1-CG2 4.01Å; F350-V388 HydrophobicContact CE2-CG2 4.45Å; F350-V388 HydrophobicContact CZ-CB 3.91Å; F350-V388 HydrophobicContact CZ-CG1 4.41Å; F350-V388 HydrophobicContact CZ-CG2 3.55Å
351	M	81.7	Confident	86.4	Confident	10 Å²	10	14 Å²	14	5%	0.049	6%	0.064	C	C	.	.	H	α-helix	trans	-73.2	-33.9	173.3	-71	-48.7	-44.8	0	0	114.3	H347 Q348 N349 Y353 K354 T385 N389 T397 L414	H347-M351 WeakPolarHBondContact O-CG 3.32Å; H347-M351 PolarHBondContact O-N 2.81Å; Q348-M351 PolarHBondContact O-N 3.33Å; N349-M351 PolarHBondContact O-N 3.32Å; M351-Y353 PolarHBondContact O-N 3.44Å; M351-K354 PolarHBondContact O-N 3.41Å; M351-T385 HydrophobicContact CE-CG2 3.85Å; M351-T385 HydrophobicContact SD-CG2 3.59Å; M351-T385 VanDerWaalsContact SD-CG2 3.59Å; M351-N389 PolarHBondContact SD-ND2 2.87Å; M351-T397 VanDerWaalsContact CE-CB 3.46Å; M351-T397 HydrophobicContact CE-CG2 3.3Å; M351-T397 HydrophobicContact SD-CG2 3.73Å; M351-L414 HydrophobicContact CB-CD1 3.83Å
352	R	85.9	Confident	86.8	Confident	35 Å²	35	15.5 Å²	15.5	13%	0.132	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-30.3	-171.6	-168.9	164.1	-177.4	157	1.2	113.6	E201 V205 Q348 N349 K354 L355 L356 N412 L414	E201-R352 IonicContact OE1-CZ 3.89Å; E201-R352 IonicContact OE1-NE 3.08Å; E201-R352 IonicContact OE1-NH2 2.94Å; E201-R352 PolarHBondContact OE1-NH2 2.83Å; V205-R352 HydrophobicContact CG1-CG 4.36Å; Q348-R352 VanDerWaalsContact O-CB 3.24Å; Q348-R352 WeakPolarHBondContact O-CB 3.44Å; Q348-R352 PolarHBondContact O-N 3.4Å; N349-R352 PolarHBondContact O-N 3.02Å; R352-K354 PolarHBondContact O-N 2.91Å; R352-L355 PolarHBondContact O-N 3.36Å; R352-L355 VanDerWaalsContact O-N 3.08Å; R352-L356 HydrophobicContact CG-CD1 4.03Å; R352-L356 HydrophobicContact CG-CG 4Å; R352-L356 WeakPolarHBondContact O-CG 3.36Å; R352-L356 PolarHBondContact O-N 3.23Å; R352-N412 VanDerWaalsContact NH1-CG 3.3Å; R352-N412 PolarHBondContact NH1-ND2 2.95Å; R352-N412 VanDerWaalsContact NH1-ND2 3.12Å; R352-N412 PolarHBondContact NH1-OD1 3.46Å; R352-N412 VanDerWaalsContact NH1-OD1 3.08Å; R352-L414 HydrophobicContact CB-CD1 3.93Å
353	Y	90.8	Very high	87.2	Confident	3 Å²	3	16.2 Å²	16.2	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-56.7	-37.9	177.2	-59.7	-66.1	0	0	0	112.8	Q206 H260 L263 L292 N349 M351 M357	Q206-Y353 PolarHBondContact OE1-OH 2.76Å; H260-Y353 AromaticContact CE1-CZ 3.96Å; H260-Y353 PolarHBondContact CE1-OH 2.85Å; H260-Y353 PolarHBondContact ND1-OH 3.02Å; L263-Y353 HydrophobicContact CD2-CE1 3.91Å; L292-Y353 HydrophobicContact CD1-CD2 3.6Å; L292-Y353 HydrophobicContact CD1-CE2 4.13Å; L292-Y353 HydrophobicContact CD1-CG 4.27Å; L292-Y353 HydrophobicContact CD2-CD2 4.07Å; L292-Y353 HydrophobicContact CD2-CE2 3.7Å; N349-Y353 WeakPolarHBondContact O-CD2 3.49Å; N349-Y353 WeakPolarHBondContact O-CE2 3.24Å; N349-Y353 PolarHBondContact O-N 2.92Å; M351-Y353 PolarHBondContact O-N 3.44Å; Y353-M357 PolarHBondContact O-N 2.87Å
354	K	88.3	Confident	87.5	Confident	16 Å²	16	16.4 Å²	16.4	7%	0.07	8%	0.075	C	C	.	.	H	α-helix	trans	-61.6	-50.8	174.5	-174.9	-163.7	176.5	-176.5	0	110.4	M351 R352 L356 M357 L358 L381 E382	M351-K354 PolarHBondContact O-N 3.41Å; R352-K354 PolarHBondContact O-N 2.91Å; K354-L356 VanDerWaalsContact C-N 3.34Å; K354-L356 PolarHBondContact O-N 3.01Å; K354-M357 PolarHBondContact O-N 3.08Å; K354-L358 HydrophobicContact CD-CD1 4.32Å; K354-L358 HydrophobicContact CG-CD1 3.94Å; K354-L358 HydrophobicContact CG-CG 4.41Å; K354-L358 WeakPolarHBondContact O-CB 3.2Å; K354-L358 VanDerWaalsContact O-CG 3.26Å; K354-L358 WeakPolarHBondContact O-CG 3.3Å; K354-L358 PolarHBondContact O-N 2.94Å; K354-L381 HydrophobicContact CB-CB 4.3Å; K354-E382 VanDerWaalsContact CD-OE2 3.26Å; K354-E382 WeakPolarHBondContact CD-OE2 3.29Å; K354-E382 WeakPolarHBondContact CE-OE2 3.28Å; K354-E382 IonicContact NZ-OE1 2.86Å; K354-E382 PolarHBondContact NZ-OE1 3.18Å; K354-E382 VanDerWaalsContact NZ-OE1 3.14Å; K354-E382 IonicContact NZ-OE2 2.79Å; K354-E382 PolarHBondContact NZ-OE2 3.14Å
355	L	85.6	Confident	87.9	Confident	4 Å²	4	20.2 Å²	20.2	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-39.1	-178.2	-58.5	-174.7	0	0	0	112.5	R352 L358 R359 T401 Y404 V413 L414	R352-L355 PolarHBondContact O-N 3.36Å; R352-L355 VanDerWaalsContact O-N 3.08Å; L355-L358 HydrophobicContact CD2-CD1 4.4Å; L355-R359 WeakPolarHBondContact O-CB 3.48Å; L355-R359 PolarHBondContact O-N 2.95Å; L355-T401 HydrophobicContact CD2-CG2 3.98Å; L355-Y404 HydrophobicContact CB-CD1 3.86Å; L355-Y404 HydrophobicContact CB-CE1 3.74Å; L355-Y404 HydrophobicContact CD1-CD1 4.03Å; L355-Y404 HydrophobicContact CD1-CD2 4.25Å; L355-Y404 HydrophobicContact CD1-CG 3.87Å; L355-Y404 HydrophobicContact CD2-CD1 4.02Å; L355-Y404 HydrophobicContact CD2-CG 4.43Å; L355-Y404 HydrophobicContact CG-CD1 4.19Å; L355-V413 HydrophobicContact CD1-CG2 4.47Å; L355-L414 HydrophobicContact CD1-CD1 3.58Å; L355-L414 HydrophobicContact CD1-CG 4.14Å
356	L	89.6	Confident	88	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-43.1	174.9	-66.4	172.3	0	0	0	112	E201 F202 V205 R352 K354 R359 Y360	E201-L356 HydrophobicContact CB-CD2 4.06Å; E201-L356 HydrophobicContact CG-CD2 3.58Å; E201-L356 WeakPolarHBondContact OE1-CD2 3.43Å; F202-L356 HydrophobicContact CD1-CB 3.91Å; F202-L356 HydrophobicContact CD1-CD1 3.73Å; F202-L356 HydrophobicContact CD1-CG 4.46Å; F202-L356 HydrophobicContact CD2-CB 4.43Å; F202-L356 HydrophobicContact CE1-CB 3.4Å; F202-L356 HydrophobicContact CE1-CD1 4.02Å; F202-L356 HydrophobicContact CE1-CG 4.37Å; F202-L356 HydrophobicContact CE2-CB 3.99Å; F202-L356 HydrophobicContact CG-CB 4.41Å; F202-L356 HydrophobicContact CG-CD1 4.24Å; F202-L356 HydrophobicContact CZ-CB 3.46Å; F202-L356 VanDerWaalsContact CZ-CB 3.46Å; V205-L356 HydrophobicContact CB-CD1 4.16Å; V205-L356 HydrophobicContact CG1-CD1 4.15Å; V205-L356 HydrophobicContact CG2-CD1 4.2Å; R352-L356 HydrophobicContact CG-CD1 4.03Å; R352-L356 HydrophobicContact CG-CG 4Å; R352-L356 WeakPolarHBondContact O-CG 3.36Å; R352-L356 PolarHBondContact O-N 3.23Å; K354-L356 VanDerWaalsContact C-N 3.34Å; K354-L356 PolarHBondContact O-N 3.01Å; L356-R359 PolarHBondContact O-N 3.27Å; L356-Y360 VanDerWaalsContact O-CB 3.31Å; L356-Y360 WeakPolarHBondContact O-CB 3.44Å; L356-Y360 PolarHBondContact O-N 2.96Å
357	M	92.4	Very high	87.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.4	-36.1	178.6	-168.7	58.2	65.4	0	0	112.3	F202 S282 I285 Y353 K354 Y360 S361 A374 A377 I378 L381	F202-M357 HydrophobicContact CE1-CE 4.34Å; F202-M357 HydrophobicContact CZ-CB 4.22Å; F202-M357 HydrophobicContact CZ-CE 3.75Å; F202-M357 HydrophobicContact CZ-SD 4.44Å; S282-M357 PolarHBondContact OG-SD 3.4Å; I285-M357 HydrophobicContact CB-CE 3.46Å; I285-M357 VanDerWaalsContact CB-CE 3.46Å; I285-M357 HydrophobicContact CG1-CE 3.53Å; I285-M357 HydrophobicContact CG2-CE 3.86Å; Y353-M357 PolarHBondContact O-N 2.87Å; K354-M357 PolarHBondContact O-N 3.08Å; M357-Y360 PolarHBondContact O-N 2.95Å; M357-Y360 HydrophobicContact SD-CD1 3.59Å; M357-Y360 VanDerWaalsContact SD-CD1 3.59Å; M357-Y360 HydrophobicContact SD-CE1 4.17Å; M357-Y360 HydrophobicContact SD-CG 4.33Å; M357-S361 WeakPolarHBondContact O-CB 3.36Å; M357-S361 PolarHBondContact O-N 3.31Å; M357-A374 HydrophobicContact SD-CB 4.09Å; M357-A377 HydrophobicContact CE-CB 4.32Å; M357-A377 HydrophobicContact CG-CB 4.19Å; M357-I378 HydrophobicContact CB-CG1 3.98Å; M357-I378 HydrophobicContact CG-CD1 4.14Å; M357-I378 HydrophobicContact CG-CG1 3.62Å; M357-L381 HydrophobicContact CB-CD1 4.28Å
358	L	88.6	Confident	88.1	Confident	22 Å²	22	33.6 Å²	33.6	12%	0.115	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-47.8	171.3	-75.3	170.6	0	0	0	111.6	K354 L355 S361 E362 I378 T401 Y405	K354-L358 HydrophobicContact CD-CD1 4.32Å; K354-L358 HydrophobicContact CG-CD1 3.94Å; K354-L358 HydrophobicContact CG-CG 4.41Å; K354-L358 WeakPolarHBondContact O-CB 3.2Å; K354-L358 VanDerWaalsContact O-CG 3.26Å; K354-L358 WeakPolarHBondContact O-CG 3.3Å; K354-L358 PolarHBondContact O-N 2.94Å; L355-L358 HydrophobicContact CD2-CD1 4.4Å; L358-S361 PolarHBondContact O-N 2.9Å; L358-E362 PolarHBondContact O-N 2.74Å; L358-I378 HydrophobicContact CD2-CD1 3.76Å; L358-I378 HydrophobicContact CD2-CG1 4.04Å; L358-I378 HydrophobicContact CD2-CG2 3.82Å; L358-I378 HydrophobicContact CG-CD1 4.32Å; L358-I378 HydrophobicContact CG-CG1 4.27Å; L358-I378 HydrophobicContact CG-CG2 4.46Å; L358-T401 HydrophobicContact CD1-CG2 3.96Å; L358-Y405 WeakPolarHBondContact CB-OH 3.13Å; L358-Y405 HydrophobicContact CD1-CE2 4.02Å; L358-Y405 WeakPolarHBondContact CD2-OH 3.04Å
359	R	87.4	Confident	88.6	Confident	54 Å²	54	39 Å²	39	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-40.3	175.9	-173.5	-173.1	-172.8	176.4	7.9	112.5	E201 L355 L356 E362 Y363 C409	E201-R359 IonicContact OE2-CZ 3.27Å; E201-R359 IonicContact OE2-NH1 2.96Å; E201-R359 PolarHBondContact OE2-NH1 3.34Å; L355-R359 WeakPolarHBondContact O-CB 3.48Å; L355-R359 PolarHBondContact O-N 2.95Å; L356-R359 PolarHBondContact O-N 3.27Å; R359-E362 VanDerWaalsContact O-CB 3.25Å; R359-E362 WeakPolarHBondContact O-CB 3.35Å; R359-E362 PolarHBondContact O-N 3.13Å; R359-Y363 HydrophobicContact CG-CE2 4.03Å; R359-C409 HydrophobicContact CG-CB 4.1Å
360	Y	93.3	Very high	88.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-45.8	176.5	173.6	-97.2	0	0	0	111.6	L195 A198 F202 W274 P279 N280 M281 S282 L356 M357 E362 Y363 L364 E370	L195-Y360 HydrophobicContact CD1-CD2 3.61Å; L195-Y360 HydrophobicContact CD1-CE2 3.6Å; L195-Y360 HydrophobicContact CD1-CG 4.33Å; A198-Y360 HydrophobicContact CB-CD2 4.43Å; F202-Y360 HydrophobicContact CE2-CD2 4.5Å; F202-Y360 HydrophobicContact CE2-CG 4.41Å; W274-Y360 AromaticContact CH2-CE2 3.66Å; W274-Y360 HydrophobicContact CH2-CE2 3.66Å; W274-Y360 WeakPolarHBondContact CH2-OH 3.3Å; W274-Y360 HydrophobicContact CZ2-CE2 4.13Å; P279-Y360 WeakPolarHBondContact CB-OH 3.48Å; N280-Y360 PolarHBondContact N-OH 3.02Å; M281-Y360 HydrophobicContact CB-CE1 4.28Å; M281-Y360 HydrophobicContact CB-CE2 3.76Å; M281-Y360 WeakPolarHBondContact CB-OH 3.13Å; M281-Y360 PolarHBondContact N-OH 3.27Å; S282-Y360 VanDerWaalsContact OG-CE1 3.27Å; S282-Y360 WeakPolarHBondContact OG-CE1 3.42Å; L356-Y360 VanDerWaalsContact O-CB 3.31Å; L356-Y360 WeakPolarHBondContact O-CB 3.44Å; L356-Y360 PolarHBondContact O-N 2.96Å; M357-Y360 PolarHBondContact O-N 2.95Å; M357-Y360 HydrophobicContact SD-CD1 3.59Å; M357-Y360 VanDerWaalsContact SD-CD1 3.59Å; M357-Y360 HydrophobicContact SD-CE1 4.17Å; M357-Y360 HydrophobicContact SD-CG 4.33Å; Y360-E362 PolarHBondContact O-N 3.31Å; Y360-Y363 PolarHBondContact O-N 2.94Å; Y360-Y363 VanDerWaalsContact O-N 3.11Å; Y360-L364 HydrophobicContact CD1-CD1 4.05Å; Y360-L364 HydrophobicContact CD1-CG 4.4Å; Y360-L364 HydrophobicContact CE1-CD1 3.78Å; Y360-L364 HydrophobicContact CE1-CD2 4.17Å; Y360-L364 HydrophobicContact CE1-CG 4.21Å; Y360-E370 HydrophobicContact CE1-CG 4.15Å; Y360-E370 PolarHBondContact OH-OE1 3.09Å
361	S	92.7	Very high	89.3	Confident	13 Å²	13	40.6 Å²	40.6	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-25.3	177.5	-165.2	0	0	0	0	113.6	M357 L358 Y363 L364 K371	M357-S361 WeakPolarHBondContact O-CB 3.36Å; M357-S361 PolarHBondContact O-N 3.31Å; L358-S361 PolarHBondContact O-N 2.9Å; S361-Y363 VanDerWaalsContact C-N 3.25Å; S361-Y363 PolarHBondContact O-N 2.77Å; S361-L364 PolarHBondContact O-N 2.87Å; S361-K371 WeakPolarHBondContact O-CE 3.18Å; S361-K371 PolarHBondContact O-NZ 3.16Å
362	E	88.8	Confident	89.8	Confident	76 Å²	76	46 Å²	46	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-30.1	173.3	-160	-164.8	145.4	0	0	112.9	L358 R359 Y360	L358-E362 PolarHBondContact O-N 2.74Å; R359-E362 VanDerWaalsContact O-CB 3.25Å; R359-E362 WeakPolarHBondContact O-CB 3.35Å; R359-E362 PolarHBondContact O-N 3.13Å; Y360-E362 PolarHBondContact O-N 3.31Å
363	Y	90.1	Very high	90.3	Very high	22 Å²	22	47.6 Å²	47.6	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-104.7	-2.2	-175.7	-47.4	-37.3	0	0	0	113.8	R191 K194 A198 R359 Y360 S361	R191-Y363 WeakPolarHBondContact CD-O 3.26Å; R191-Y363 WeakPolarHBondContact CG-O 3.11Å; R191-Y363 PolarHBondContact NH1-O 3.28Å; K194-Y363 HydrophobicContact CB-CD1 4.23Å; K194-Y363 HydrophobicContact CB-CD2 3.71Å; K194-Y363 HydrophobicContact CB-CE1 4.42Å; K194-Y363 HydrophobicContact CB-CE2 3.88Å; K194-Y363 HydrophobicContact CB-CG 3.92Å; K194-Y363 HydrophobicContact CD-CD1 4.26Å; K194-Y363 HydrophobicContact CD-CE1 4.11Å; A198-Y363 HydrophobicContact CB-CD2 4.1Å; A198-Y363 HydrophobicContact CB-CE2 4.21Å; R359-Y363 HydrophobicContact CG-CE2 4.03Å; Y360-Y363 PolarHBondContact O-N 2.94Å; Y360-Y363 VanDerWaalsContact O-N 3.11Å; S361-Y363 VanDerWaalsContact C-N 3.25Å; S361-Y363 PolarHBondContact O-N 2.77Å
364	L	91.7	Very high	90.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-76.5	141.5	169	-65.4	178.7	0	0	0	110.5	L195 P279 Y360 S361 E370 K371 A374	L195-L364 HydrophobicContact CD1-CD2 3.9Å; L195-L364 HydrophobicContact CD1-CG 4.41Å; L195-L364 HydrophobicContact CD2-CD2 4.01Å; P279-L364 HydrophobicContact CB-CD2 3.84Å; P279-L364 HydrophobicContact CG-CD2 3.59Å; Y360-L364 HydrophobicContact CD1-CD1 4.05Å; Y360-L364 HydrophobicContact CD1-CG 4.4Å; Y360-L364 HydrophobicContact CE1-CD1 3.78Å; Y360-L364 HydrophobicContact CE1-CD2 4.17Å; Y360-L364 HydrophobicContact CE1-CG 4.21Å; S361-L364 PolarHBondContact O-N 2.87Å; L364-E370 HydrophobicContact CD1-CB 4.35Å; L364-E370 HydrophobicContact CD1-CG 3.84Å; L364-E370 HydrophobicContact CD2-CB 4.46Å; L364-E370 HydrophobicContact CD2-CG 3.95Å; L364-K371 HydrophobicContact CB-CD 3.62Å; L364-K371 HydrophobicContact CD1-CD 4.26Å; L364-K371 PolarHBondContact O-NZ 3.17Å; L364-A374 HydrophobicContact CD1-CB 3.92Å
365	I	89.6	Confident	90.8	Very high	102 Å²	102	52.1 Å²	52.1	52%	0.523	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-60.2	141.6	169.9	-48.1	179	0	0	0	108.5	C368	I365-C368 PolarHBondContact O-SG 3.34Å
366	D	85.1	Confident	91.2	Very high	111 Å²	111	56.8 Å²	56.8	59%	0.594	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	161.3	173.1	-59.1	-52.8	0	0	0	111	C368 K371	D366-C368 PolarHBondContact O-N 3.48Å; D366-K371 WeakPolarHBondContact OD1-CE 3.38Å; D366-K371 IonicContact OD1-NZ 2.74Å; D366-K371 PolarHBondContact OD1-NZ 2.67Å
367	D	84.3	Confident	91.4	Very high	174 Å²	174	56.8 Å²	56.8	93%	0.93	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	11.5	-175.3	-55.7	-26.2	0	0	0	116.8
368	C	90.1	Very high	91.4	Very high	41 Å²	41	58 Å²	58	28%	0.277	29%	0.289	S	S	.	.			trans	-89.5	149.2	176.1	83.2	0	0	0	0	113.6	I365 D366 E370 K371 E372	I365-C368 PolarHBondContact O-SG 3.34Å; D366-C368 PolarHBondContact O-N 3.48Å; C368-E370 PolarHBondContact O-N 3.06Å; C368-K371 WeakPolarHBondContact O-CA 3.11Å; C368-K371 WeakPolarHBondContact O-CB 3.45Å; C368-K371 PolarHBondContact O-N 3.36Å; C368-E372 PolarHBondContact O-N 3.23Å
369	D	91.9	Very high	91.6	Very high	124 Å²	124	62.1 Å²	62.1	66%	0.663	31%	0.308	S	S	*	.	H	α-helix	trans	-45.1	-37.6	178.6	-119	68.5	0	0	0	114.3	K373	D369-K373 VanDerWaalsContact C-NZ 3.26Å; D369-K373 VanDerWaalsContact CG-NZ 3.29Å; D369-K373 WeakPolarHBondContact O-CD 3.28Å; D369-K373 VanDerWaalsContact O-CG 3.29Å; D369-K373 WeakPolarHBondContact O-CG 3.29Å; D369-K373 PolarHBondContact O-NZ 3.17Å; D369-K373 IonicContact OD2-NZ 2.74Å; D369-K373 PolarHBondContact OD2-NZ 2.74Å
370	E	93.6	Very high	91.8	Very high	15 Å²	15	63 Å²	63	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-82.1	-24.4	-179.3	-178.9	69.3	167.8	0	0	112.3	P279 N280 M281 S282 Y360 L364 C368 K373 A374	P279-E370 HydrophobicContact CB-CG 4.2Å; P279-E370 HydrophobicContact CG-CB 4.32Å; P279-E370 HydrophobicContact CG-CG 4.17Å; P279-E370 WeakPolarHBondContact O-CG 3.26Å; N280-E370 WeakPolarHBondContact CA-OE1 3.14Å; N280-E370 PolarHBondContact N-OE1 2.81Å; M281-E370 PolarHBondContact N-OE1 2.78Å; S282-E370 WeakPolarHBondContact CB-OE1 3.41Å; S282-E370 PolarHBondContact N-OE1 3.23Å; S282-E370 PolarHBondContact OG-OE1 3.15Å; Y360-E370 HydrophobicContact CE1-CG 4.15Å; Y360-E370 PolarHBondContact OH-OE1 3.09Å; L364-E370 HydrophobicContact CD1-CB 4.35Å; L364-E370 HydrophobicContact CD1-CG 3.84Å; L364-E370 HydrophobicContact CD2-CB 4.46Å; L364-E370 HydrophobicContact CD2-CG 3.95Å; C368-E370 PolarHBondContact O-N 3.06Å; E370-K373 PolarHBondContact O-N 3Å; E370-A374 WeakPolarHBondContact O-CB 3.49Å; E370-A374 PolarHBondContact O-N 3.04Å
371	K	93.3	Very high	91.7	Very high	23 Å²	23	63 Å²	63	10%	0.1	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-45.5	175.8	-164.4	81.7	165.4	-149.4	0	111.1	S361 L364 D366 C368 A374 Q375	S361-K371 WeakPolarHBondContact O-CE 3.18Å; S361-K371 PolarHBondContact O-NZ 3.16Å; L364-K371 HydrophobicContact CB-CD 3.62Å; L364-K371 HydrophobicContact CD1-CD 4.26Å; L364-K371 PolarHBondContact O-NZ 3.17Å; D366-K371 WeakPolarHBondContact OD1-CE 3.38Å; D366-K371 IonicContact OD1-NZ 2.74Å; D366-K371 PolarHBondContact OD1-NZ 2.67Å; C368-K371 WeakPolarHBondContact O-CA 3.11Å; C368-K371 WeakPolarHBondContact O-CB 3.45Å; C368-K371 PolarHBondContact O-N 3.36Å; K371-A374 WeakPolarHBondContact O-CB 3.36Å; K371-A374 PolarHBondContact O-N 3.25Å; K371-Q375 WeakPolarHBondContact O-CG 3.31Å; K371-Q375 PolarHBondContact O-N 2.88Å
372	E	93.8	Very high	91.4	Very high	124 Å²	124	63.6 Å²	63.6	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-60.5	-47.4	174.3	-175.4	-176	-146.5	0	0	110.7	C368 A374 Q375 E376	C368-E372 PolarHBondContact O-N 3.23Å; E372-A374 VanDerWaalsContact C-N 3.28Å; E372-A374 PolarHBondContact O-N 3.34Å; E372-Q375 WeakPolarHBondContact O-CB 3.32Å; E372-Q375 PolarHBondContact O-N 3.37Å; E372-Q375 VanDerWaalsContact O-N 3.13Å; E372-E376 PolarHBondContact O-N 2.95Å
373	K	94.6	Very high	91.4	Very high	67 Å²	67	64.2 Å²	64.2	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-33.8	176.6	-65	173.3	-167.3	85.5	0	112.3	D369 E370 A377	D369-K373 VanDerWaalsContact C-NZ 3.26Å; D369-K373 VanDerWaalsContact CG-NZ 3.29Å; D369-K373 WeakPolarHBondContact O-CD 3.28Å; D369-K373 VanDerWaalsContact O-CG 3.29Å; D369-K373 WeakPolarHBondContact O-CG 3.29Å; D369-K373 PolarHBondContact O-NZ 3.17Å; D369-K373 IonicContact OD2-NZ 2.74Å; D369-K373 PolarHBondContact OD2-NZ 2.74Å; E370-K373 PolarHBondContact O-N 3Å; K373-A377 WeakPolarHBondContact O-CB 3.29Å; K373-A377 PolarHBondContact O-N 3.13Å
374	A	95.3	Very high	91.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-44.5	173.1	0	0	0	0	0	111.3	S282 M357 L364 E370 K371 E372 A377 I378	S282-A374 WeakPolarHBondContact OG-CA 3.43Å; S282-A374 VanDerWaalsContact OG-CB 3.24Å; S282-A374 WeakPolarHBondContact OG-CB 3.48Å; S282-A374 PolarHBondContact OG-N 2.93Å; M357-A374 HydrophobicContact SD-CB 4.09Å; L364-A374 HydrophobicContact CD1-CB 3.92Å; E370-A374 WeakPolarHBondContact O-CB 3.49Å; E370-A374 PolarHBondContact O-N 3.04Å; K371-A374 WeakPolarHBondContact O-CB 3.36Å; K371-A374 PolarHBondContact O-N 3.25Å; E372-A374 VanDerWaalsContact C-N 3.28Å; E372-A374 PolarHBondContact O-N 3.34Å; A374-A377 PolarHBondContact O-N 3.32Å; A374-I378 WeakPolarHBondContact O-CB 3.35Å; A374-I378 WeakPolarHBondContact O-CD1 3.22Å; A374-I378 VanDerWaalsContact O-CG1 3.22Å; A374-I378 WeakPolarHBondContact O-CG1 3.16Å; A374-I378 PolarHBondContact O-N 2.84Å
375	Q	94.2	Very high	90.6	Very high	114 Å²	114	63.2 Å²	63.2	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-43.5	176	-70.2	170.7	-1.8	0	0	111.7	K371 E372 A377 I378 Q379	K371-Q375 WeakPolarHBondContact O-CG 3.31Å; K371-Q375 PolarHBondContact O-N 2.88Å; E372-Q375 WeakPolarHBondContact O-CB 3.32Å; E372-Q375 PolarHBondContact O-N 3.37Å; E372-Q375 VanDerWaalsContact O-N 3.13Å; Q375-A377 VanDerWaalsContact C-N 3.34Å; Q375-A377 PolarHBondContact O-N 3.48Å; Q375-I378 PolarHBondContact O-N 3.29Å; Q375-Q379 PolarHBondContact O-N 2.94Å
376	E	94.1	Very high	90.2	Very high	102 Å²	102	62.1 Å²	62.1	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-56.2	-47.4	170.6	-80	-158.3	174.6	0	0	112	E372 Q379 K380	E372-E376 PolarHBondContact O-N 2.95Å; E376-Q379 PolarHBondContact O-N 3.46Å; E376-K380 WeakPolarHBondContact O-CB 3.41Å; E376-K380 WeakPolarHBondContact O-CD 3.44Å; E376-K380 VanDerWaalsContact O-CG 3.3Å; E376-K380 WeakPolarHBondContact O-CG 3.34Å; E376-K380 PolarHBondContact O-N 2.9Å; E376-K380 IonicContact OE2-NZ 3.12Å; E376-K380 PolarHBondContact OE2-NZ 3.49Å
377	A	94.6	Very high	89.7	Confident	2 Å²	2	59.4 Å²	59.4	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-40.8	-178.9	0	0	0	0	0	111.2	M357 K373 A374 Q375 K380 L381	M357-A377 HydrophobicContact CE-CB 4.32Å; M357-A377 HydrophobicContact CG-CB 4.19Å; K373-A377 WeakPolarHBondContact O-CB 3.29Å; K373-A377 PolarHBondContact O-N 3.13Å; A374-A377 PolarHBondContact O-N 3.32Å; Q375-A377 VanDerWaalsContact C-N 3.34Å; Q375-A377 PolarHBondContact O-N 3.48Å; A377-K380 PolarHBondContact O-N 3.02Å; A377-L381 WeakPolarHBondContact O-CB 3.44Å; A377-L381 WeakPolarHBondContact O-CD1 3.23Å; A377-L381 WeakPolarHBondContact O-CG 3.36Å; A377-L381 PolarHBondContact O-N 3.24Å
378	I	92.8	Very high	89.2	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-48.3	172.8	-72.3	156.7	0	0	0	110.5	M357 L358 A374 Q375 K380 L381 E382	M357-I378 HydrophobicContact CB-CG1 3.98Å; M357-I378 HydrophobicContact CG-CD1 4.14Å; M357-I378 HydrophobicContact CG-CG1 3.62Å; L358-I378 HydrophobicContact CD2-CD1 3.76Å; L358-I378 HydrophobicContact CD2-CG1 4.04Å; L358-I378 HydrophobicContact CD2-CG2 3.82Å; L358-I378 HydrophobicContact CG-CD1 4.32Å; L358-I378 HydrophobicContact CG-CG1 4.27Å; L358-I378 HydrophobicContact CG-CG2 4.46Å; A374-I378 WeakPolarHBondContact O-CB 3.35Å; A374-I378 WeakPolarHBondContact O-CD1 3.22Å; A374-I378 VanDerWaalsContact O-CG1 3.22Å; A374-I378 WeakPolarHBondContact O-CG1 3.16Å; A374-I378 PolarHBondContact O-N 2.84Å; Q375-I378 PolarHBondContact O-N 3.29Å; I378-K380 PolarHBondContact O-N 3.24Å; I378-L381 PolarHBondContact O-N 2.85Å; I378-E382 WeakPolarHBondContact O-CB 2.97Å; I378-E382 PolarHBondContact O-N 3.05Å
379	Q	92.6	Very high	88.3	Confident	107 Å²	107	50 Å²	50	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-38.8	-179.2	-168.9	62.2	57.9	0	0	112.2	Q375 E376 E382 N383	Q375-Q379 PolarHBondContact O-N 2.94Å; E376-Q379 PolarHBondContact O-N 3.46Å; Q379-E382 PolarHBondContact O-N 3.01Å; Q379-N383 PolarHBondContact NE2-OD1 2.96Å; Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 2.73Å; Q379-N383 PolarHBondContact O-ND2 3.45Å; Q379-N383 PolarHBondContact O-OD1 2.88Å
380	K	91.1	Very high	87.2	Confident	72 Å²	72	51.7 Å²	51.7	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-46.4	174.2	-72.3	161.1	-175.7	164.6	0	111.2	A289 E376 A377 I378 E382 N383 V384	A289-K380 HydrophobicContact CB-CB 3.9Å; E376-K380 WeakPolarHBondContact O-CB 3.41Å; E376-K380 WeakPolarHBondContact O-CD 3.44Å; E376-K380 VanDerWaalsContact O-CG 3.3Å; E376-K380 WeakPolarHBondContact O-CG 3.34Å; E376-K380 PolarHBondContact O-N 2.9Å; E376-K380 IonicContact OE2-NZ 3.12Å; E376-K380 PolarHBondContact OE2-NZ 3.49Å; A377-K380 PolarHBondContact O-N 3.02Å; I378-K380 PolarHBondContact O-N 3.24Å; K380-E382 VanDerWaalsContact C-N 3.34Å; K380-E382 PolarHBondContact O-N 3.4Å; K380-N383 PolarHBondContact O-N 3.3Å; K380-V384 WeakPolarHBondContact O-CB 3.07Å; K380-V384 WeakPolarHBondContact O-CG2 3.39Å; K380-V384 PolarHBondContact O-N 3.23Å; K380-V384 VanDerWaalsContact O-N 3.09Å
381	L	91.3	Very high	85.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-36.7	175.9	-68.5	168	0	0	0	112.2	I285 A289 L292 K354 M357 A377 I378 T385	I285-L381 HydrophobicContact CG2-CD1 3.93Å; A289-L381 HydrophobicContact CB-CD2 3.8Å; A289-L381 HydrophobicContact CB-CG 4.12Å; L292-L381 HydrophobicContact CD1-CD2 3.51Å; K354-L381 HydrophobicContact CB-CB 4.3Å; M357-L381 HydrophobicContact CB-CD1 4.28Å; A377-L381 WeakPolarHBondContact O-CB 3.44Å; A377-L381 WeakPolarHBondContact O-CD1 3.23Å; A377-L381 WeakPolarHBondContact O-CG 3.36Å; A377-L381 PolarHBondContact O-N 3.24Å; I378-L381 PolarHBondContact O-N 2.85Å; L381-T385 WeakPolarHBondContact O-CB 3.16Å; L381-T385 VanDerWaalsContact O-CG2 3.24Å; L381-T385 WeakPolarHBondContact O-CG2 2.96Å; L381-T385 PolarHBondContact O-N 3.12Å; L381-T385 PolarHBondContact O-OG1 3.3Å
382	E	87.6	Confident	84.4	Confident	25 Å²	25	58 Å²	58	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-48.9	176.3	-176.2	66.6	162.1	0	0	111.6	K354 I378 Q379 K380 V384 T385 Q386	K354-E382 VanDerWaalsContact CD-OE2 3.26Å; K354-E382 WeakPolarHBondContact CD-OE2 3.29Å; K354-E382 WeakPolarHBondContact CE-OE2 3.28Å; K354-E382 IonicContact NZ-OE1 2.86Å; K354-E382 PolarHBondContact NZ-OE1 3.18Å; K354-E382 VanDerWaalsContact NZ-OE1 3.14Å; K354-E382 IonicContact NZ-OE2 2.79Å; K354-E382 PolarHBondContact NZ-OE2 3.14Å; I378-E382 WeakPolarHBondContact O-CB 2.97Å; I378-E382 PolarHBondContact O-N 3.05Å; Q379-E382 PolarHBondContact O-N 3.01Å; K380-E382 VanDerWaalsContact C-N 3.34Å; K380-E382 PolarHBondContact O-N 3.4Å; E382-V384 PolarHBondContact O-N 2.96Å; E382-T385 PolarHBondContact O-N 3.48Å; E382-T385 VanDerWaalsContact O-N 3.16Å; E382-T385 PolarHBondContact O-OG1 3.21Å; E382-T385 PolarHBondContact OE2-OG1 3.11Å; E382-Q386 VanDerWaalsContact CD-NE2 3.33Å; E382-Q386 HydrophobicContact CG-CG 4.07Å; E382-Q386 VanDerWaalsContact CG-NE2 3.34Å; E382-Q386 WeakPolarHBondContact O-CB 3.26Å; E382-Q386 WeakPolarHBondContact O-CG 3.43Å; E382-Q386 PolarHBondContact O-N 3.42Å; E382-Q386 PolarHBondContact OE1-NE2 3.04Å
383	N	87.1	Confident	82.6	Confident	90 Å²	90	55.6 Å²	55.6	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-56.7	-39.8	176.7	-65.8	-5.9	0	0	0	111.9	Q379 K380 A387	Q379-N383 PolarHBondContact NE2-OD1 2.96Å; Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 2.73Å; Q379-N383 PolarHBondContact O-ND2 3.45Å; Q379-N383 PolarHBondContact O-OD1 2.88Å; K380-N383 PolarHBondContact O-N 3.3Å; N383-A387 WeakPolarHBondContact O-CB 3.47Å; N383-A387 PolarHBondContact O-N 3.36Å
384	V	84.4	Confident	80.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-69.8	-43.1	177.8	171	0	0	0	0	111.6	L292 K293 F350 K380 E382	L292-V384 HydrophobicContact CB-CG1 4.33Å; K293-V384 HydrophobicContact CG-CG1 4.12Å; F350-V384 HydrophobicContact CE2-CG1 3.68Å; F350-V384 HydrophobicContact CZ-CG1 3.79Å; K380-V384 WeakPolarHBondContact O-CB 3.07Å; K380-V384 WeakPolarHBondContact O-CG2 3.39Å; K380-V384 PolarHBondContact O-N 3.23Å; K380-V384 VanDerWaalsContact O-N 3.09Å; E382-V384 PolarHBondContact O-N 2.96Å
385	T	81.8	Confident	79	Confident	2 Å²	2	58 Å²	58	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-76.3	-37.4	-177.4	54.3	0	0	0	0	113.2	F350 M351 L381 E382 V388 N389	F350-T385 HydrophobicContact CD1-CG2 4.04Å; F350-T385 HydrophobicContact CE1-CG2 3.68Å; F350-T385 HydrophobicContact CZ-CG2 4.05Å; M351-T385 HydrophobicContact CE-CG2 3.85Å; M351-T385 HydrophobicContact SD-CG2 3.59Å; M351-T385 VanDerWaalsContact SD-CG2 3.59Å; L381-T385 WeakPolarHBondContact O-CB 3.16Å; L381-T385 VanDerWaalsContact O-CG2 3.24Å; L381-T385 WeakPolarHBondContact O-CG2 2.96Å; L381-T385 PolarHBondContact O-N 3.12Å; L381-T385 PolarHBondContact O-OG1 3.3Å; E382-T385 PolarHBondContact O-N 3.48Å; E382-T385 VanDerWaalsContact O-N 3.16Å; E382-T385 PolarHBondContact O-OG1 3.21Å; E382-T385 PolarHBondContact OE2-OG1 3.11Å; T385-V388 PolarHBondContact O-N 3.45Å; T385-N389 PolarHBondContact O-N 3.34Å; T385-N389 PolarHBondContact O-ND2 3Å
386	Q	80	Confident	77.2	Confident	80 Å²	80	55.9 Å²	55.9	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-45.9	174.3	-72.8	-174.9	3.8	0	0	111.6	E382 V388 N389 Q390	E382-Q386 VanDerWaalsContact CD-NE2 3.33Å; E382-Q386 HydrophobicContact CG-CG 4.07Å; E382-Q386 VanDerWaalsContact CG-NE2 3.34Å; E382-Q386 WeakPolarHBondContact O-CB 3.26Å; E382-Q386 WeakPolarHBondContact O-CG 3.43Å; E382-Q386 PolarHBondContact O-N 3.42Å; E382-Q386 PolarHBondContact OE1-NE2 3.04Å; Q386-V388 PolarHBondContact O-N 2.82Å; Q386-N389 PolarHBondContact O-N 2.97Å; Q386-N389 VanDerWaalsContact O-N 3.16Å; Q386-Q390 WeakPolarHBondContact O-CG 3.46Å; Q386-Q390 PolarHBondContact O-N 3.02Å
387	A	75.2	Confident	75.7	Confident	54 Å²	54	51.5 Å²	51.5	45%	0.446	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-30.9	179.6	0	0	0	0	0	113.5	N383	N383-A387 WeakPolarHBondContact O-CB 3.47Å; N383-A387 PolarHBondContact O-N 3.36Å
388	V	73.1	Confident	74.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-81	-44.3	173.8	173.2	0	0	0	0	111.5	Q296 L299 F350 T385 Q386 Q390 K391 M392	Q296-V388 HydrophobicContact CB-CG2 4.48Å; Q296-V388 HydrophobicContact CG-CG2 4.41Å; L299-V388 HydrophobicContact CB-CG1 4.3Å; L299-V388 HydrophobicContact CD1-CG1 3.81Å; F350-V388 HydrophobicContact CE1-CB 3.84Å; F350-V388 HydrophobicContact CE1-CG1 4.05Å; F350-V388 HydrophobicContact CE1-CG2 4.01Å; F350-V388 HydrophobicContact CE2-CG2 4.45Å; F350-V388 HydrophobicContact CZ-CB 3.91Å; F350-V388 HydrophobicContact CZ-CG1 4.41Å; F350-V388 HydrophobicContact CZ-CG2 3.55Å; T385-V388 PolarHBondContact O-N 3.45Å; Q386-V388 PolarHBondContact O-N 2.82Å; V388-Q390 PolarHBondContact O-N 3.37Å; V388-K391 PolarHBondContact O-N 3.02Å; V388-K391 VanDerWaalsContact O-N 3.15Å; V388-M392 HydrophobicContact CG1-CG 4.18Å; V388-M392 WeakPolarHBondContact O-CG 3.33Å; V388-M392 PolarHBondContact O-N 2.82Å
389	N	71.6	Confident	73.7	Confident	15 Å²	15	58 Å²	58	8%	0.08	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-35.7	-176.1	-81.4	-91.7	0	0	0	113	M351 T385 Q386 K391 M392 G393 T397	M351-N389 PolarHBondContact SD-ND2 2.87Å; T385-N389 PolarHBondContact O-N 3.34Å; T385-N389 PolarHBondContact O-ND2 3Å; Q386-N389 PolarHBondContact O-N 2.97Å; Q386-N389 VanDerWaalsContact O-N 3.16Å; N389-K391 PolarHBondContact O-N 3.38Å; N389-M392 PolarHBondContact O-N 2.89Å; N389-M392 VanDerWaalsContact O-N 3.09Å; N389-G393 PolarHBondContact O-N 3.38Å; N389-T397 HydrophobicContact CB-CG2 4.1Å; N389-T397 VanDerWaalsContact ND2-CG2 3.32Å; N389-T397 WeakPolarHBondContact ND2-CG2 3.46Å
390	Q	69.3	Low	72.9	Confident	159 Å²	159	54.3 Å²	54.3	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-57.4	-32.4	173.4	-74.1	174.2	1.2	0	0	113	Q386 V388	Q386-Q390 WeakPolarHBondContact O-CG 3.46Å; Q386-Q390 PolarHBondContact O-N 3.02Å; V388-Q390 PolarHBondContact O-N 3.37Å
391	K	64.3	Low	72.2	Confident	129 Å²	129	51 Å²	51	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-83.3	-23.2	178	-171.6	175.3	172.4	-171	0	113.2	D300 V388 N389	D300-K391 WeakPolarHBondContact OD1-CD 3.16Å; D300-K391 WeakPolarHBondContact OD1-CE 3.46Å; D300-K391 IonicContact OD1-NZ 2.69Å; D300-K391 PolarHBondContact OD1-NZ 2.87Å; D300-K391 IonicContact OD2-NZ 2.64Å; D300-K391 PolarHBondContact OD2-NZ 3.06Å; V388-K391 PolarHBondContact O-N 3.02Å; V388-K391 VanDerWaalsContact O-N 3.15Å; N389-K391 PolarHBondContact O-N 3.38Å
392	M	64.4	Low	71.8	Confident	41 Å²	41	56 Å²	56	20%	0.202	31%	0.305	C	S	.	.	H	α-helix	trans	-94.7	-13.2	-171.6	-72.2	-59.1	-57.4	0	0	115.3	L299 V388 N389 L394	L299-M392 WeakPolarHBondContact O-CE 3.48Å; V388-M392 HydrophobicContact CG1-CG 4.18Å; V388-M392 WeakPolarHBondContact O-CG 3.33Å; V388-M392 PolarHBondContact O-N 2.82Å; N389-M392 PolarHBondContact O-N 2.89Å; N389-M392 VanDerWaalsContact O-N 3.09Å; M392-L394 HydrophobicContact CB-CD1 4Å; M392-L394 HydrophobicContact CB-CG 4.04Å; M392-L394 PolarHBondContact O-N 3.06Å
393	G	56.2	Low	71.8	Confident	75 Å²	75	54.8 Å²	54.8	77%	0.773	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	19.3	179.7	0	0	0	0	0	114.9	N389	N389-G393 PolarHBondContact O-N 3.38Å
394	L	56.7	Low	71.5	Confident	60 Å²	60	50.9 Å²	50.9	31%	0.314	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-83.3	156.3	-179.9	-69	173.4	0	0	0	111.4	M392 T396	M392-L394 HydrophobicContact CB-CD1 4Å; M392-L394 HydrophobicContact CB-CG 4.04Å; M392-L394 PolarHBondContact O-N 3.06Å; L394-T396 PolarHBondContact O-N 3.38Å
395	P	56.4	Low	71.3	Confident	58 Å²	58	52.9 Å²	52.9	38%	0.377	29%	0.285	S	S	.	.	S	Bend	trans	-52.8	137.8	170.5	22.9	-34.3	0	0	0	110.2	E399	P395-E399 VanDerWaalsContact CB-OE2 3.31Å; P395-E399 WeakPolarHBondContact CB-OE2 3.41Å
396	T	57.5	Low	71.6	Confident	68 Å²	68	55.1 Å²	55.1	42%	0.417	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.8	-162.3	59.7	0	0	0	0	112.2	L394 E398 E399	L394-T396 PolarHBondContact O-N 3.38Å; T396-E398 PolarHBondContact O-N 3.47Å; T396-E399 PolarHBondContact O-N 3.24Å
397	T	61.7	Low	71.9	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-47.2	-35.6	172.7	65	0	0	0	0	111.5	M351 N389 T401	M351-T397 VanDerWaalsContact CE-CB 3.46Å; M351-T397 HydrophobicContact CE-CG2 3.3Å; M351-T397 HydrophobicContact SD-CG2 3.73Å; N389-T397 HydrophobicContact CB-CG2 4.1Å; N389-T397 VanDerWaalsContact ND2-CG2 3.32Å; N389-T397 WeakPolarHBondContact ND2-CG2 3.46Å; T397-T401 VanDerWaalsContact O-CB 3.26Å; T397-T401 WeakPolarHBondContact O-CB 3.47Å; T397-T401 PolarHBondContact O-N 3.1Å; T397-T401 PolarHBondContact O-OG1 3.14Å
398	E	67.9	Low	72.2	Confident	90 Å²	90	52.5 Å²	52.5	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-43.2	178.4	-161.2	-168.3	165.1	0	0	113.9	T396 T401 K402	T396-E398 PolarHBondContact O-N 3.47Å; E398-T401 PolarHBondContact O-N 3.1Å; E398-K402 HydrophobicContact CG-CD 4.29Å; E398-K402 WeakPolarHBondContact O-CB 3.24Å; E398-K402 VanDerWaalsContact O-CG 3.27Å; E398-K402 WeakPolarHBondContact O-CG 3.5Å; E398-K402 PolarHBondContact O-N 2.85Å; E398-K402 WeakPolarHBondContact OE1-CE 3.45Å; E398-K402 IonicContact OE1-NZ 2.67Å; E398-K402 PolarHBondContact OE1-NZ 3.38Å
399	E	77.2	Confident	72.1	Confident	76 Å²	76	52.7 Å²	52.7	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-45.7	179.8	-68.1	-164.8	115.1	0	0	111.8	P395 T396 T401 K402 L403	P395-E399 VanDerWaalsContact CB-OE2 3.31Å; P395-E399 WeakPolarHBondContact CB-OE2 3.41Å; T396-E399 PolarHBondContact O-N 3.24Å; E399-T401 VanDerWaalsContact C-N 3.34Å; E399-K402 PolarHBondContact O-N 3.14Å; E399-L403 PolarHBondContact O-N 3.48Å
400	L	76.9	Confident	72	Confident	29 Å²	29	56.4 Å²	56.4	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-69.3	-33.1	176.3	-66.8	173.3	0	0	0	111.5	Y404 L414 L420	L400-Y404 VanDerWaalsContact O-CB 3.32Å; L400-Y404 WeakPolarHBondContact O-CB 3.28Å; L400-Y404 PolarHBondContact O-N 2.97Å; L400-L414 HydrophobicContact CD1-CD2 4.06Å; L400-L420 HydrophobicContact CD2-CB 4.23Å; L400-L420 HydrophobicContact CD2-CD2 4.4Å
401	T	75.4	Confident	72.5	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-48.8	171.6	-59.1	0	0	0	0	110.9	L355 L358 T397 E398 E399 L403 Y404 Y405	L355-T401 HydrophobicContact CD2-CG2 3.98Å; L358-T401 HydrophobicContact CD1-CG2 3.96Å; T397-T401 VanDerWaalsContact O-CB 3.26Å; T397-T401 WeakPolarHBondContact O-CB 3.47Å; T397-T401 PolarHBondContact O-N 3.1Å; T397-T401 PolarHBondContact O-OG1 3.14Å; E398-T401 PolarHBondContact O-N 3.1Å; E399-T401 VanDerWaalsContact C-N 3.34Å; T401-L403 VanDerWaalsContact C-N 3.35Å; T401-L403 PolarHBondContact O-N 3.32Å; T401-Y404 PolarHBondContact O-N 3.01Å; T401-Y405 HydrophobicContact CG2-CD2 3.72Å; T401-Y405 HydrophobicContact CG2-CE2 3.68Å; T401-Y405 WeakPolarHBondContact O-CD2 3.46Å; T401-Y405 PolarHBondContact O-N 3.49Å
402	K	83.3	Confident	73.1	Confident	105 Å²	105	45 Å²	45	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-43.9	176	-76.8	171.3	-180	172.3	0	111.3	E398 E399 R406	E398-K402 HydrophobicContact CG-CD 4.29Å; E398-K402 WeakPolarHBondContact O-CB 3.24Å; E398-K402 VanDerWaalsContact O-CG 3.27Å; E398-K402 WeakPolarHBondContact O-CG 3.5Å; E398-K402 PolarHBondContact O-N 2.85Å; E398-K402 WeakPolarHBondContact OE1-CE 3.45Å; E398-K402 IonicContact OE1-NZ 2.67Å; E398-K402 PolarHBondContact OE1-NZ 3.38Å; E399-K402 PolarHBondContact O-N 3.14Å; K402-R406 WeakPolarHBondContact O-CB 3.3Å; K402-R406 VanDerWaalsContact O-CG 3.29Å; K402-R406 WeakPolarHBondContact O-CG 3.46Å; K402-R406 PolarHBondContact O-N 2.85Å
403	L	86.6	Confident	73.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-47.4	174.9	-84.7	173.4	0	0	0	112.5	E399 T401 Y405 R406 F407 V413 L420 V440 F457	E399-L403 PolarHBondContact O-N 3.48Å; T401-L403 VanDerWaalsContact C-N 3.35Å; T401-L403 PolarHBondContact O-N 3.32Å; L403-Y405 VanDerWaalsContact C-N 3.28Å; L403-Y405 PolarHBondContact O-N 2.99Å; L403-R406 CarbonylContact O-C 3.46Å; L403-R406 PolarHBondContact O-N 3.47Å; L403-R406 VanDerWaalsContact O-N 3.12Å; L403-F407 HydrophobicContact CD2-CE2 4.16Å; L403-F407 WeakPolarHBondContact O-CB 3.45Å; L403-F407 WeakPolarHBondContact O-CD2 3.42Å; L403-F407 PolarHBondContact O-N 2.93Å; L403-V413 HydrophobicContact CB-CG1 4.37Å; L403-L420 HydrophobicContact CD1-CD1 3.81Å; L403-L420 HydrophobicContact CD1-CD2 3.66Å; L403-L420 HydrophobicContact CD1-CG 4.35Å; L403-V440 HydrophobicContact CD1-CG1 3.97Å; L403-V440 HydrophobicContact CD2-CG1 4.05Å; L403-V440 HydrophobicContact CD2-CG2 3.84Å; L403-F457 HydrophobicContact CD2-CE2 4Å; L403-F457 HydrophobicContact CD2-CZ 4.24Å
404	Y	81.9	Confident	74.8	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-43.3	178	-176.6	-109.9	0	0	0	112	L355 L400 T401 F407 Q408 C409 V413	L355-Y404 HydrophobicContact CB-CD1 3.86Å; L355-Y404 HydrophobicContact CB-CE1 3.74Å; L355-Y404 HydrophobicContact CD1-CD1 4.03Å; L355-Y404 HydrophobicContact CD1-CD2 4.25Å; L355-Y404 HydrophobicContact CD1-CG 3.87Å; L355-Y404 HydrophobicContact CD2-CD1 4.02Å; L355-Y404 HydrophobicContact CD2-CG 4.43Å; L355-Y404 HydrophobicContact CG-CD1 4.19Å; L400-Y404 VanDerWaalsContact O-CB 3.32Å; L400-Y404 WeakPolarHBondContact O-CB 3.28Å; L400-Y404 PolarHBondContact O-N 2.97Å; T401-Y404 PolarHBondContact O-N 3.01Å; Y404-F407 CarbonylContact O-C 3.55Å; Y404-F407 PolarHBondContact O-N 3.4Å; Y404-Q408 PolarHBondContact O-N 3.02Å; Y404-C409 HydrophobicContact CE1-CB 3.79Å; Y404-C409 WeakPolarHBondContact CE1-SG 3.33Å; Y404-C409 HydrophobicContact CE2-CB 4.34Å; Y404-C409 PolarHBondContact O-N 2.82Å; Y404-C409 VanDerWaalsContact O-N 3.08Å; Y404-V413 HydrophobicContact CD2-CG2 4.19Å; Y404-V413 HydrophobicContact CG-CG2 4.48Å
405	Y	80.6	Confident	75.7	Confident	47 Å²	47	40.8 Å²	40.8	18%	0.184	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-45.2	172.9	-86.5	-57.8	0	0	0	113.2	F148 L358 T401 L403 F407 Q408 Q456	F148-Y405 HydrophobicContact CE1-CE2 4.03Å; L358-Y405 WeakPolarHBondContact CB-OH 3.13Å; L358-Y405 HydrophobicContact CD1-CE2 4.02Å; L358-Y405 WeakPolarHBondContact CD2-OH 3.04Å; T401-Y405 HydrophobicContact CG2-CD2 3.72Å; T401-Y405 HydrophobicContact CG2-CE2 3.68Å; T401-Y405 WeakPolarHBondContact O-CD2 3.46Å; T401-Y405 PolarHBondContact O-N 3.49Å; L403-Y405 VanDerWaalsContact C-N 3.28Å; L403-Y405 PolarHBondContact O-N 2.99Å; Y405-F407 PolarHBondContact O-N 3.32Å; Y405-Q408 WeakPolarHBondContact O-CA 3.48Å; Y405-Q408 PolarHBondContact O-N 2.7Å; Y405-Q456 PolarHBondContact O-NE2 3.38Å; Y405-Q456 VanDerWaalsContact O-NE2 3.17Å; Y405-Q456 PolarHBondContact O-OE1 3.48Å
406	R	88.1	Confident	76.2	Confident	49 Å²	49	39.7 Å²	39.7	19%	0.185	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-24.9	176.5	-70.8	178.7	82.5	-168	10.5	112.7	K402 L403 Q408 G455 Q456 F457	K402-R406 WeakPolarHBondContact O-CB 3.3Å; K402-R406 VanDerWaalsContact O-CG 3.29Å; K402-R406 WeakPolarHBondContact O-CG 3.46Å; K402-R406 PolarHBondContact O-N 2.85Å; L403-R406 CarbonylContact O-C 3.46Å; L403-R406 PolarHBondContact O-N 3.47Å; L403-R406 VanDerWaalsContact O-N 3.12Å; R406-Q408 PolarHBondContact O-N 2.67Å; R406-G455 PolarHBondContact NE-O 3.02Å; R406-G455 PolarHBondContact NH2-O 3Å; R406-Q456 VanDerWaalsContact CA-OE1 3.27Å; R406-Q456 PolarHBondContact O-OE1 2.92Å; R406-Q456 VanDerWaalsContact O-OE1 3.13Å; R406-F457 HydrophobicContact CB-CD2 3.88Å; R406-F457 HydrophobicContact CB-CE1 4.39Å; R406-F457 HydrophobicContact CB-CE2 3.69Å; R406-F457 HydrophobicContact CB-CG 4.32Å; R406-F457 HydrophobicContact CB-CZ 3.97Å; R406-F457 VanDerWaalsContact O-CB 3.24Å; R406-F457 WeakPolarHBondContact O-CB 3.41Å; R406-F457 WeakPolarHBondContact O-CD2 3.46Å; R406-F457 WeakPolarHBondContact O-CG 3.39Å; R406-F457 PolarHBondContact O-N 3.27Å
407	F	86.5	Confident	76.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	10.9	168	-79.8	-67.5	0	0	0	113.5	L403 Y404 Y405 C409 Q410 F411 V413 V440 F442 W447 F457 I459	L403-F407 HydrophobicContact CD2-CE2 4.16Å; L403-F407 WeakPolarHBondContact O-CB 3.45Å; L403-F407 WeakPolarHBondContact O-CD2 3.42Å; L403-F407 PolarHBondContact O-N 2.93Å; Y404-F407 CarbonylContact O-C 3.55Å; Y404-F407 PolarHBondContact O-N 3.4Å; Y405-F407 PolarHBondContact O-N 3.32Å; F407-C409 PolarHBondContact O-N 3.33Å; F407-C409 VanDerWaalsContact O-N 3.13Å; F407-Q410 WeakPolarHBondContact O-CB 3.44Å; F407-Q410 PolarHBondContact O-N 3.42Å; F407-F411 HydrophobicContact CB-CB 3.89Å; F407-F411 HydrophobicContact CD1-CB 3.7Å; F407-F411 HydrophobicContact CD1-CD1 4.14Å; F407-F411 HydrophobicContact CD1-CG 4.21Å; F407-F411 HydrophobicContact CD2-CB 4.43Å; F407-F411 AromaticContact CD2-CD1 3.88Å; F407-F411 HydrophobicContact CD2-CD1 3.88Å; F407-F411 HydrophobicContact CE1-CB 4.34Å; F407-F411 HydrophobicContact CE1-CD1 4.12Å; F407-F411 HydrophobicContact CE1-CG 4.39Å; F407-F411 AromaticContact CE2-CD1 3.86Å; F407-F411 HydrophobicContact CE2-CD1 3.86Å; F407-F411 HydrophobicContact CE2-CE1 4.39Å; F407-F411 HydrophobicContact CG-CB 3.77Å; F407-F411 HydrophobicContact CG-CD1 4.06Å; F407-F411 HydrophobicContact CG-CG 4.36Å; F407-F411 AromaticContact CZ-CD1 3.99Å; F407-F411 HydrophobicContact CZ-CD1 3.99Å; F407-F411 HydrophobicContact CZ-CE1 4.45Å; F407-V413 HydrophobicContact CD2-CG1 3.82Å; F407-V413 HydrophobicContact CE2-CG1 4.25Å; F407-V440 HydrophobicContact CE2-CG2 4.48Å; F407-V440 HydrophobicContact CZ-CG2 4.3Å; F407-F442 HydrophobicContact CE2-CE2 4.43Å; F407-F442 HydrophobicContact CE2-CZ 4.4Å; F407-W447 AromaticContact CE1-CD2 3.8Å; F407-W447 HydrophobicContact CE1-CD2 3.8Å; F407-W447 AromaticContact CE1-CE2 3.74Å; F407-W447 HydrophobicContact CE1-CE3 4.27Å; F407-W447 HydrophobicContact CE1-CG 4.03Å; F407-W447 HydrophobicContact CE1-CZ2 4.15Å; F407-W447 AromaticContact CE1-NE1 3.94Å; F407-W447 HydrophobicContact CZ-CB 4.35Å; F407-W447 AromaticContact CZ-CD1 3.8Å; F407-W447 HydrophobicContact CZ-CD2 4.18Å; F407-W447 AromaticContact CZ-CG 3.9Å; F407-W447 HydrophobicContact CZ-CG 3.9Å; F407-W447 AromaticContact CZ-NE1 3.96Å; F407-F457 AromaticContact CD1-CD2 3.73Å; F407-F457 HydrophobicContact CD1-CD2 3.73Å; F407-F457 HydrophobicContact CD1-CE2 4.42Å; F407-F457 HydrophobicContact CD2-CD2 4.15Å; F407-F457 HydrophobicContact CD2-CE2 4.12Å; F407-F457 AromaticContact CE1-CD2 3.77Å; F407-F457 HydrophobicContact CE1-CD2 3.77Å; F407-F457 HydrophobicContact CE1-CE2 4.23Å; F407-F457 HydrophobicContact CE2-CD2 4.19Å; F407-F457 AromaticContact CE2-CE2 3.91Å; F407-F457 HydrophobicContact CE2-CE2 3.91Å; F407-F457 AromaticContact CG-CD2 3.91Å; F407-F457 HydrophobicContact CG-CD2 3.91Å; F407-F457 HydrophobicContact CG-CE2 4.35Å; F407-F457 AromaticContact CZ-CD2 4Å; F407-F457 HydrophobicContact CZ-CD2 4Å; F407-F457 AromaticContact CZ-CE2 3.96Å; F407-F457 HydrophobicContact CZ-CE2 3.96Å; F407-I459 HydrophobicContact CD1-CD1 3.73Å; F407-I459 HydrophobicContact CE1-CD1 4.49Å
408	Q	79.6	Confident	77.7	Confident	79 Å²	79	37.1 Å²	37.1	37%	0.369	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.1	179.6	-57.7	-179.6	-9.9	0	0	113.7	Y404 Y405 R406 Q410 Q456	Y404-Q408 PolarHBondContact O-N 3.02Å; Y405-Q408 WeakPolarHBondContact O-CA 3.48Å; Y405-Q408 PolarHBondContact O-N 2.7Å; R406-Q408 PolarHBondContact O-N 2.67Å; Q408-Q410 HydrophobicContact CB-CG 4.17Å; Q408-Q410 PolarHBondContact O-N 3.05Å; Q408-Q410 VanDerWaalsContact OE1-NE2 3.12Å; Q408-Q456 HydrophobicContact CG-CB 4.42Å; Q408-Q456 VanDerWaalsContact CG-OE1 3.26Å
409	C	71.6	Confident	78.3	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	10.5	-170.7	-52.5	0	0	0	0	114.7	R359 Y404 F407	R359-C409 HydrophobicContact CG-CB 4.1Å; Y404-C409 HydrophobicContact CE1-CB 3.79Å; Y404-C409 WeakPolarHBondContact CE1-SG 3.33Å; Y404-C409 HydrophobicContact CE2-CB 4.34Å; Y404-C409 PolarHBondContact O-N 2.82Å; Y404-C409 VanDerWaalsContact O-N 3.08Å; F407-C409 PolarHBondContact O-N 3.33Å; F407-C409 VanDerWaalsContact O-N 3.13Å
410	Q	69.9	Low	78.7	Confident	93 Å²	93	33.8 Å²	33.8	44%	0.435	17%	0.168	S	C	.	.			trans	-88.1	-19.6	-176.8	-61.7	179	20.1	0	0	113.7	F407 Q408 I459	F407-Q410 WeakPolarHBondContact O-CB 3.44Å; F407-Q410 PolarHBondContact O-N 3.42Å; Q408-Q410 HydrophobicContact CB-CG 4.17Å; Q408-Q410 PolarHBondContact O-N 3.05Å; Q408-Q410 VanDerWaalsContact OE1-NE2 3.12Å; Q410-I459 HydrophobicContact CB-CG1 4.48Å
411	F	80.7	Confident	79.3	Confident	14 Å²	14	35.2 Å²	35.2	6%	0.061	18%	0.175	C	C	.	.	S	Bend	trans	-114.8	129	177.4	178.6	-110.1	0	0	0	111	F407 V413 F442 W447	F407-F411 HydrophobicContact CB-CB 3.89Å; F407-F411 HydrophobicContact CD1-CB 3.7Å; F407-F411 HydrophobicContact CD1-CD1 4.14Å; F407-F411 HydrophobicContact CD1-CG 4.21Å; F407-F411 HydrophobicContact CD2-CB 4.43Å; F407-F411 AromaticContact CD2-CD1 3.88Å; F407-F411 HydrophobicContact CD2-CD1 3.88Å; F407-F411 HydrophobicContact CE1-CB 4.34Å; F407-F411 HydrophobicContact CE1-CD1 4.12Å; F407-F411 HydrophobicContact CE1-CG 4.39Å; F407-F411 AromaticContact CE2-CD1 3.86Å; F407-F411 HydrophobicContact CE2-CD1 3.86Å; F407-F411 HydrophobicContact CE2-CE1 4.39Å; F407-F411 HydrophobicContact CG-CB 3.77Å; F407-F411 HydrophobicContact CG-CD1 4.06Å; F407-F411 HydrophobicContact CG-CG 4.36Å; F407-F411 AromaticContact CZ-CD1 3.99Å; F407-F411 HydrophobicContact CZ-CD1 3.99Å; F407-F411 HydrophobicContact CZ-CE1 4.45Å; F411-V413 HydrophobicContact CD1-CG1 3.92Å; F411-V413 HydrophobicContact CE1-CG1 4.31Å; F411-V413 PolarHBondContact O-N 3.1Å; F411-F442 HydrophobicContact CE1-CD2 4.29Å; F411-F442 AromaticContact CE1-CE2 3.64Å; F411-F442 HydrophobicContact CE1-CE2 3.64Å; F411-F442 AromaticContact CE1-CZ 3.9Å; F411-F442 HydrophobicContact CE1-CZ 3.9Å; F411-F442 HydrophobicContact CZ-CE2 4.29Å; F411-W447 HydrophobicContact CB-CZ2 4.46Å; F411-W447 AromaticContact CD1-NE1 3.79Å; F411-W447 AromaticContact CD2-CZ2 3.74Å; F411-W447 HydrophobicContact CD2-CZ2 3.74Å; F411-W447 AromaticContact CD2-NE1 3.78Å; F411-W447 AromaticContact CE1-NE1 3.49Å; F411-W447 HydrophobicContact CE2-CZ2 4.14Å; F411-W447 AromaticContact CE2-NE1 3.46Å; F411-W447 HydrophobicContact CG-CZ2 4.06Å; F411-W447 AromaticContact CG-NE1 3.93Å; F411-W447 AromaticContact CZ-NE1 3.31Å; F411-W447 VanDerWaalsContact CZ-NE1 3.31Å
412	N	76.3	Confident	80	Confident	35 Å²	35	38.3 Å²	38.3	19%	0.187	19%	0.186	C	C	.	.			trans	-75.3	95.4	176.9	-176.2	26.7	0	0	0	111	R352 L414 E415 R418	R352-N412 VanDerWaalsContact NH1-CG 3.3Å; R352-N412 PolarHBondContact NH1-ND2 2.95Å; R352-N412 VanDerWaalsContact NH1-ND2 3.12Å; R352-N412 PolarHBondContact NH1-OD1 3.46Å; R352-N412 VanDerWaalsContact NH1-OD1 3.08Å; N412-L414 PolarHBondContact ND2-O 3.08Å; N412-L414 PolarHBondContact O-N 3.27Å; N412-L414 VanDerWaalsContact OD1-C 3.29Å; N412-L414 PolarHBondContact OD1-N 3.49Å; N412-L414 VanDerWaalsContact OD1-N 3.12Å; N412-L414 PolarHBondContact OD1-O 3.25Å; N412-L414 VanDerWaalsContact OD1-O 3.04Å; N412-E415 WeakPolarHBondContact ND2-CB 3.27Å; N412-R418 PolarHBondContact O-NH1 2.83Å
413	V	80.3	Confident	80.4	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.175	C	C	.	.	S	Bend	trans	-69.5	-14.9	173.5	-54.9	0	0	0	0	112.8	L355 L403 Y404 F407 F411 F442	L355-V413 HydrophobicContact CD1-CG2 4.47Å; L403-V413 HydrophobicContact CB-CG1 4.37Å; Y404-V413 HydrophobicContact CD2-CG2 4.19Å; Y404-V413 HydrophobicContact CG-CG2 4.48Å; F407-V413 HydrophobicContact CD2-CG1 3.82Å; F407-V413 HydrophobicContact CE2-CG1 4.25Å; F411-V413 HydrophobicContact CD1-CG1 3.92Å; F411-V413 HydrophobicContact CE1-CG1 4.31Å; F411-V413 PolarHBondContact O-N 3.1Å; V413-F442 HydrophobicContact CG1-CZ 4.39Å
414	L	75.1	Confident	80.7	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.047	18%	0.182	C	C	.	.			trans	-111.8	70	-179.5	-56.4	-176.8	0	0	0	110.7	Q348 M351 R352 L355 L400 N412	Q348-L414 HydrophobicContact CB-CB 4.12Å; Q348-L414 HydrophobicContact CG-CB 4.27Å; Q348-L414 WeakPolarHBondContact O-CD1 3.3Å; M351-L414 HydrophobicContact CB-CD1 3.83Å; R352-L414 HydrophobicContact CB-CD1 3.93Å; L355-L414 HydrophobicContact CD1-CD1 3.58Å; L355-L414 HydrophobicContact CD1-CG 4.14Å; L400-L414 HydrophobicContact CD1-CD2 4.06Å; N412-L414 PolarHBondContact ND2-O 3.08Å; N412-L414 PolarHBondContact O-N 3.27Å; N412-L414 VanDerWaalsContact OD1-C 3.29Å; N412-L414 PolarHBondContact OD1-N 3.49Å; N412-L414 VanDerWaalsContact OD1-N 3.12Å; N412-L414 PolarHBondContact OD1-O 3.25Å; N412-L414 VanDerWaalsContact OD1-O 3.04Å
415	E	75.3	Confident	81.3	Confident	75 Å²	75	42.7 Å²	42.7	35%	0.35	21%	0.211	S	C	.	.			trans	-112.8	139.2	177.7	-163.1	170.5	117.4	0	0	110.5	Q348 N412 G417 R418	Q348-E415 PolarHBondContact NE2-O 2.82Å; Q348-E415 PolarHBondContact OE1-O 2.66Å; N412-E415 WeakPolarHBondContact ND2-CB 3.27Å; E415-G417 PolarHBondContact O-N 2.9Å; E415-R418 HydrophobicContact CB-CB 4.06Å; E415-R418 VanDerWaalsContact CB-NH1 3.29Å; E415-R418 VanDerWaalsContact CD-CZ 3.49Å; E415-R418 WeakPolarHBondContact O-CA 3.39Å; E415-R418 WeakPolarHBondContact O-CB 3.36Å; E415-R418 PolarHBondContact O-N 3.09Å; E415-R418 IonicContact OE1-CZ 3.21Å; E415-R418 IonicContact OE1-NH1 2.65Å; E415-R418 IonicContact OE1-NH2 3.5Å; E415-R418 PolarHBondContact OE1-NH2 3.37Å; E415-R418 IonicContact OE2-CZ 2.6Å; E415-R418 IonicContact OE2-NH1 3.36Å; E415-R418 PolarHBondContact OE2-NH1 3.24Å; E415-R418 IonicContact OE2-NH2 3.63Å; E415-R418 PolarHBondContact OE2-NH2 3.22Å
416	P	67	Low	81.9	Confident	34 Å²	34	40.8 Å²	40.8	22%	0.221	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	131.2	-171.5	-32.8	38.9	0	0	0	114.1	Q342 Q345 Q348 R418	Q342-P416 VanDerWaalsContact NE2-CB 3.25Å; Q345-P416 HydrophobicContact CB-CG 4.36Å; Q345-P416 HydrophobicContact CG-CG 4.43Å; Q348-P416 VanDerWaalsContact OE1-CA 3.29Å; P416-R418 PolarHBondContact O-N 3.44Å
417	G	69.7	Low	82.2	Confident	17 Å²	17	41.9 Å²	41.9	18%	0.175	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-3.2	-172.7	0	0	0	0	0	116	Q341 E415 T443	Q341-G417 PolarHBondContact O-N 2.86Å; E415-G417 PolarHBondContact O-N 2.9Å; G417-T443 PolarHBondContact O-OG1 2.8Å
418	R	81.7	Confident	82.4	Confident	7 Å²	7	42.8 Å²	42.8	3%	0.026	22%	0.216	C	C	.	.			trans	-79.7	117.2	168.4	-170.4	172.2	-69.3	132	17.1	109.7	Q348 N412 E415 P416 F442 T443 D444	Q348-R418 PolarHBondContact NE2-O 2.76Å; N412-R418 PolarHBondContact O-NH1 2.83Å; E415-R418 HydrophobicContact CB-CB 4.06Å; E415-R418 VanDerWaalsContact CB-NH1 3.29Å; E415-R418 VanDerWaalsContact CD-CZ 3.49Å; E415-R418 WeakPolarHBondContact O-CA 3.39Å; E415-R418 WeakPolarHBondContact O-CB 3.36Å; E415-R418 PolarHBondContact O-N 3.09Å; E415-R418 IonicContact OE1-CZ 3.21Å; E415-R418 IonicContact OE1-NH1 2.65Å; E415-R418 IonicContact OE1-NH2 3.5Å; E415-R418 PolarHBondContact OE1-NH2 3.37Å; E415-R418 IonicContact OE2-CZ 2.6Å; E415-R418 IonicContact OE2-NH1 3.36Å; E415-R418 PolarHBondContact OE2-NH1 3.24Å; E415-R418 IonicContact OE2-NH2 3.63Å; E415-R418 PolarHBondContact OE2-NH2 3.22Å; P416-R418 PolarHBondContact O-N 3.44Å; R418-F442 HydrophobicContact CG-CB 3.79Å; R418-F442 HydrophobicContact CG-CD1 3.53Å; R418-F442 HydrophobicContact CG-CE1 4.31Å; R418-F442 HydrophobicContact CG-CG 3.81Å; R418-T443 WeakPolarHBondContact CA-OG1 3.41Å; R418-D444 IonicContact CZ-OD1 3.23Å; R418-D444 IonicContact CZ-OD2 3.57Å; R418-D444 VanDerWaalsContact CZ-OD2 3.28Å; R418-D444 IonicContact NE-OD1 3.93Å; R418-D444 PolarHBondContact NE-OD1 2.87Å; R418-D444 IonicContact NE-OD2 2.68Å; R418-D444 PolarHBondContact NE-OD2 3.01Å; R418-D444 IonicContact NH2-OD1 2.67Å; R418-D444 IonicContact NH2-OD2 3.23Å; R418-D444 PolarHBondContact NH2-OD2 2.98Å
419	V	80.4	Confident	82.9	Confident	70 Å²	70	42.5 Å²	42.5	42%	0.424	22%	0.215	S	C	.	.			trans	-126.3	138.3	173.7	-175.3	0	0	0	0	108.2	F442 T443	V419-F442 CarbonylContact O-C 3.52Å; V419-F442 VanDerWaalsContact O-CA 3.23Å; V419-F442 WeakPolarHBondContact O-CA 3.47Å; V419-T443 HydrophobicContact CB-CG2 3.94Å; V419-T443 PolarHBondContact N-OG1 2.88Å; V419-T443 PolarHBondContact O-N 3.23Å; V419-T443 VanDerWaalsContact O-N 3.1Å
420	L	86.6	Confident	83.4	Confident	27 Å²	27	44 Å²	44	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.4	172.1	178.4	68	0	0	0	109.1	L400 L403 V440 F442	L400-L420 HydrophobicContact CD2-CB 4.23Å; L400-L420 HydrophobicContact CD2-CD2 4.4Å; L403-L420 HydrophobicContact CD1-CD1 3.81Å; L403-L420 HydrophobicContact CD1-CD2 3.66Å; L403-L420 HydrophobicContact CD1-CG 4.35Å; L420-V440 HydrophobicContact CD1-CG1 3.51Å; L420-F442 HydrophobicContact CB-CD1 4.32Å; L420-F442 HydrophobicContact CB-CE1 4.19Å; L420-F442 HydrophobicContact CD1-CD1 4.44Å; L420-F442 HydrophobicContact CD1-CE1 4.1Å; L420-F442 HydrophobicContact CD1-CZ 4.41Å
421	I	87.9	Confident	83.9	Confident	59 Å²	59	51.8 Å²	51.8	30%	0.303	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-48.5	178.5	-57.5	179.4	0	0	0	110.2	L441 T443 D509 A513	I421-L441 HydrophobicContact CB-CB 4.5Å; I421-L441 HydrophobicContact CB-CD2 4.12Å; I421-L441 HydrophobicContact CB-CG 4.05Å; I421-L441 HydrophobicContact CD1-CD2 4.46Å; I421-L441 HydrophobicContact CD1-CG 4.3Å; I421-L441 HydrophobicContact CG2-CD2 4.07Å; I421-L441 PolarHBondContact N-O 3.17Å; I421-T443 HydrophobicContact CD1-CG2 3.93Å; I421-T443 HydrophobicContact CG1-CG2 4.19Å; I421-D509 HydrophobicContact CG2-CB 3.9Å; I421-A513 HydrophobicContact CD1-CB 3.7Å
422	R	90.3	Very high	83.9	Confident	67 Å²	67	60.7 Å²	60.7	25%	0.253	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	150.9	-177.8	-168.7	172.3	-67.7	-99.6	-2.3	112	L441 W506 D509	R422-L441 HydrophobicContact CB-CB 4.49Å; R422-L441 PolarHBondContact N-O 3.06Å; R422-L441 PolarHBondContact O-N 3.3Å; R422-W506 HydrophobicContact CB-CH2 4.2Å; R422-W506 HydrophobicContact CB-CZ2 4.18Å; R422-W506 HydrophobicContact CG-CD2 4.41Å; R422-W506 HydrophobicContact CG-CH2 4.18Å; R422-W506 HydrophobicContact CG-CZ2 3.65Å; R422-D509 IonicContact CZ-OD2 2.68Å; R422-D509 IonicContact NE-OD2 3.85Å; R422-D509 PolarHBondContact NE-OD2 3.06Å; R422-D509 IonicContact NH2-OD2 2.97Å; R422-D509 PolarHBondContact NH2-OD2 3.05Å
423	Q	93.1	Very high	84.5	Confident	49 Å²	49	64 Å²	64	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.8	166.7	56.8	-178.8	-13.8	0	0	110.6	Y438 L439	Q423-Y438 HydrophobicContact CB-CE1 3.8Å; Q423-Y438 HydrophobicContact CG-CE1 4.49Å; Q423-Y438 PolarHBondContact OE1-OH 2.8Å; Q423-L439 VanDerWaalsContact CA-O 3.23Å; Q423-L439 WeakPolarHBondContact CA-O 3.46Å; Q423-L439 WeakPolarHBondContact CB-O 3.48Å
424	S	92.8	Very high	85	Confident	20 Å²	20	68 Å²	68	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	167.2	171.8	74.7	0	0	0	0	112.9	L439 E502 W506	S424-L439 PolarHBondContact N-O 3.04Å; S424-L439 PolarHBondContact O-N 3.04Å; S424-E502 WeakPolarHBondContact CB-OE1 3.37Å; S424-E502 PolarHBondContact OG-OE1 3.34Å; S424-W506 WeakPolarHBondContact OG-CZ2 3.25Å; S424-W506 PolarHBondContact OG-NE1 2.88Å
425	E	93.6	Very high	85.7	Confident	137 Å²	137	69.4 Å²	69.4	64%	0.64	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.7	173.7	-74.8	-178.1	-178.7	0	0	111	Y438	E425-Y438 HydrophobicContact CG-CD2 3.38Å; E425-Y438 HydrophobicContact CG-CE2 3.58Å; E425-Y438 HydrophobicContact CG-CG 4.49Å
426	V	94.6	Very high	86.5	Confident	6 Å²	6	70.2 Å²	70.2	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.4	-173.4	-54.5	0	0	0	0	111.2	R437 L439 I495 F497	V426-R437 HydrophobicContact CG2-CB 4.08Å; V426-R437 PolarHBondContact N-O 3.38Å; V426-R437 PolarHBondContact O-N 2.85Å; V426-R437 VanDerWaalsContact O-O 3.08Å; V426-L439 HydrophobicContact CG1-CD1 3.91Å; V426-L439 HydrophobicContact CG1-CG 3.94Å; V426-L439 HydrophobicContact CG2-CD1 4.19Å; V426-L439 HydrophobicContact CG2-CD2 4.04Å; V426-L439 HydrophobicContact CG2-CG 3.7Å; V426-I495 HydrophobicContact CB-CG2 3.7Å; V426-I495 HydrophobicContact CG1-CG2 4.01Å; V426-I495 HydrophobicContact CG2-CD1 4.43Å; V426-I495 HydrophobicContact CG2-CG2 3.7Å; V426-F497 HydrophobicContact CG1-CD1 3.6Å; V426-F497 HydrophobicContact CG1-CE1 3.56Å
427	M	92.7	Very high	87.8	Confident	72 Å²	72	69.5 Å²	69.5	36%	0.355	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.3	168.1	-63.6	-58.1	-70.3	0	0	109.6	L434 P436 I496	M427-L434 HydrophobicContact CE-CB 3.79Å; M427-P436 HydrophobicContact SD-CB 3.94Å; M427-I496 HydrophobicContact CB-CB 4.38Å; M427-I496 PolarHBondContact N-O 3.34Å; M427-I496 PolarHBondContact O-N 3.24Å
428	K	91.9	Very high	89	Confident	20 Å²	20	70 Å²	70	9%	0.087	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.1	174.2	-174.2	-162.9	176.5	-59.4	0	109.7	Q435 R437 A493 I495	K428-Q435 PolarHBondContact N-O 3.24Å; K428-Q435 PolarHBondContact O-N 2.99Å; K428-R437 HydrophobicContact CB-CG 3.83Å; K428-R437 HydrophobicContact CD-CG 4.39Å; K428-A493 HydrophobicContact CD-CB 4.38Å; K428-A493 HydrophobicContact CG-CB 4.44Å; K428-I495 HydrophobicContact CB-CD1 4.23Å; K428-I495 HydrophobicContact CG-CD1 4.05Å
429	Q	90.4	Very high	89.7	Confident	73 Å²	73	69.7 Å²	69.7	34%	0.341	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.4	168.5	-174.4	61.2	45.1	0	0	110.6	L434 L494	Q429-L434 HydrophobicContact CB-CD2 4.34Å; Q429-L494 HydrophobicContact CB-CB 4.17Å; Q429-L494 HydrophobicContact CB-CD2 4.22Å; Q429-L494 PolarHBondContact N-O 3.48Å; Q429-L494 VanDerWaalsContact N-O 3.07Å
430	T	82.4	Confident	90.4	Very high	36 Å²	36	66.3 Å²	66.3	22%	0.221	31%	0.309	C	S	.	.			trans	-116.4	-177.8	171	76.6	0	0	0	0	110.7	K432 E433 Q435	T430-K432 PolarHBondContact O-N 3.2Å; T430-K432 PolarHBondContact OG1-N 2.96Å; T430-E433 WeakPolarHBondContact CB-O 3.39Å; T430-E433 PolarHBondContact N-O 2.89Å; T430-E433 PolarHBondContact OG1-N 3.5Å; T430-E433 PolarHBondContact OG1-O 3.09Å; T430-Q435 HydrophobicContact CG2-CB 4.37Å; T430-Q435 HydrophobicContact CG2-CG 3.89Å
431	R	78.9	Confident	90.7	Very high	258 Å²	258	65 Å²	65	97%	0.974	30%	0.302	S	S	*	.	S	Bend	trans	-68.8	-10.4	174.6	-69.7	-175.3	178.2	172.7	-2.2	114.1
432	K	80.6	Confident	90.8	Very high	201 Å²	201	62.3 Å²	62.3	87%	0.874	29%	0.288	S	S	*	.	S	Bend	trans	-124.9	-41.1	-176.4	-64.9	-168.5	175.1	-168.7	0	113.2	T430	T430-K432 PolarHBondContact O-N 3.2Å; T430-K432 PolarHBondContact OG1-N 2.96Å
433	E	89.6	Confident	90.6	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	29%	0.289	S	S	.	.			trans	-154.5	166.8	-166.9	66.6	-167.8	-176.7	0	0	112.2	T430 Q435	T430-E433 WeakPolarHBondContact CB-O 3.39Å; T430-E433 PolarHBondContact N-O 2.89Å; T430-E433 PolarHBondContact OG1-N 3.5Å; T430-E433 PolarHBondContact OG1-O 3.09Å; E433-Q435 HydrophobicContact CG-CG 3.78Å; E433-Q435 WeakPolarHBondContact OE1-CG 3.19Å; E433-Q435 PolarHBondContact OE1-NE2 3.13Å
434	L	90.2	Very high	90.2	Very high	86 Å²	86	59.7 Å²	59.7	45%	0.45	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.7	162.8	-68.8	170.7	0	0	0	109.5	M427 Q429 I496	M427-L434 HydrophobicContact CE-CB 3.79Å; Q429-L434 HydrophobicContact CB-CD2 4.34Å; L434-I496 HydrophobicContact CD2-CD1 3.55Å
435	Q	91.1	Very high	90.1	Very high	39 Å²	39	61.4 Å²	61.4	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.8	173.6	-61.4	-172.1	-10.7	0	0	111.8	K428 T430 E433 R437	K428-Q435 PolarHBondContact N-O 3.24Å; K428-Q435 PolarHBondContact O-N 2.99Å; T430-Q435 HydrophobicContact CG2-CB 4.37Å; T430-Q435 HydrophobicContact CG2-CG 3.89Å; E433-Q435 HydrophobicContact CG-CG 3.78Å; E433-Q435 WeakPolarHBondContact OE1-CG 3.19Å; E433-Q435 PolarHBondContact OE1-NE2 3.13Å; Q435-R437 VanDerWaalsContact CB-NH1 3.27Å
436	P	91.9	Very high	90.1	Very high	91 Å²	91	55 Å²	55	59%	0.591	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	144.5	176	28.1	-34.9	0	0	0	111.7	M427	M427-P436 HydrophobicContact SD-CB 3.94Å
437	R	94.4	Very high	90.1	Very high	20 Å²	20	55.3 Å²	55.3	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.3	175	-70.4	-61.6	-177.4	-73.3	-1.8	109.8	V426 K428 Q435 I448 C449	V426-R437 HydrophobicContact CG2-CB 4.08Å; V426-R437 PolarHBondContact N-O 3.38Å; V426-R437 PolarHBondContact O-N 2.85Å; V426-R437 VanDerWaalsContact O-O 3.08Å; K428-R437 HydrophobicContact CB-CG 3.83Å; K428-R437 HydrophobicContact CD-CG 4.39Å; Q435-R437 VanDerWaalsContact CB-NH1 3.27Å; R437-I448 HydrophobicContact CB-CG2 4.24Å; R437-I448 HydrophobicContact CG-CG2 4.18Å; R437-C449 WeakPolarHBondContact CA-O 3.15Å; R437-C449 WeakPolarHBondContact CD-O 3.43Å
438	Y	94.8	Very high	90.1	Very high	26 Å²	26	51.9 Å²	51.9	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126	173.1	-158.3	-87	0	0	0	108.2	Q423 E425 V440 C449 F457	Q423-Y438 HydrophobicContact CB-CE1 3.8Å; Q423-Y438 HydrophobicContact CG-CE1 4.49Å; Q423-Y438 PolarHBondContact OE1-OH 2.8Å; E425-Y438 HydrophobicContact CG-CD2 3.38Å; E425-Y438 HydrophobicContact CG-CE2 3.58Å; E425-Y438 HydrophobicContact CG-CG 4.49Å; Y438-V440 HydrophobicContact CD1-CG2 3.78Å; Y438-V440 HydrophobicContact CE1-CG2 4Å; Y438-C449 PolarHBondContact N-O 3.14Å; Y438-C449 WeakPolarHBondContact O-CB 3.04Å; Y438-C449 PolarHBondContact O-N 3.01Å; Y438-F457 AromaticContact CD1-CE1 3.79Å; Y438-F457 HydrophobicContact CD1-CE1 3.79Å; Y438-F457 AromaticContact CD1-CZ 3.52Å; Y438-F457 HydrophobicContact CD1-CZ 3.52Å; Y438-F457 HydrophobicContact CE1-CZ 4.07Å; Y438-F457 AromaticContact CG-CE1 3.79Å; Y438-F457 HydrophobicContact CG-CE1 3.79Å; Y438-F457 HydrophobicContact CG-CZ 4.03Å
439	L	95.8	Very high	90.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.9	173.5	-62.2	-169.7	0	0	0	110.4	Q423 S424 V426 W447 I448 I495 F497 W506	Q423-L439 VanDerWaalsContact CA-O 3.23Å; Q423-L439 WeakPolarHBondContact CA-O 3.46Å; Q423-L439 WeakPolarHBondContact CB-O 3.48Å; S424-L439 PolarHBondContact N-O 3.04Å; S424-L439 PolarHBondContact O-N 3.04Å; V426-L439 HydrophobicContact CG1-CD1 3.91Å; V426-L439 HydrophobicContact CG1-CG 3.94Å; V426-L439 HydrophobicContact CG2-CD1 4.19Å; V426-L439 HydrophobicContact CG2-CD2 4.04Å; V426-L439 HydrophobicContact CG2-CG 3.7Å; L439-W447 WeakPolarHBondContact CA-O 3.47Å; L439-I448 HydrophobicContact CD2-CB 4.1Å; L439-I448 HydrophobicContact CD2-CG1 3.84Å; L439-I448 HydrophobicContact CD2-CG2 3.95Å; L439-I495 HydrophobicContact CD1-CG2 4.28Å; L439-F497 HydrophobicContact CD1-CE1 4.04Å; L439-F497 HydrophobicContact CD1-CZ 4.19Å; L439-W506 HydrophobicContact CB-CH2 3.27Å; L439-W506 HydrophobicContact CB-CZ2 3.68Å; L439-W506 HydrophobicContact CB-CZ3 3.94Å; L439-W506 HydrophobicContact CD1-CD2 4.31Å; L439-W506 HydrophobicContact CD1-CE3 4.06Å; L439-W506 HydrophobicContact CD1-CH2 3.83Å; L439-W506 HydrophobicContact CD1-CZ2 4.04Å; L439-W506 HydrophobicContact CD1-CZ3 3.79Å; L439-W506 HydrophobicContact CG-CH2 4.2Å; L439-W506 HydrophobicContact CG-CZ2 4.45Å
440	V	94.5	Very high	90.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	112.8	168.8	-164.9	0	0	0	0	108.2	L403 F407 L420 Y438 F442 W447 F457	L403-V440 HydrophobicContact CD1-CG1 3.97Å; L403-V440 HydrophobicContact CD2-CG1 4.05Å; L403-V440 HydrophobicContact CD2-CG2 3.84Å; F407-V440 HydrophobicContact CE2-CG2 4.48Å; F407-V440 HydrophobicContact CZ-CG2 4.3Å; L420-V440 HydrophobicContact CD1-CG1 3.51Å; Y438-V440 HydrophobicContact CD1-CG2 3.78Å; Y438-V440 HydrophobicContact CE1-CG2 4Å; V440-F442 HydrophobicContact CB-CE2 4.14Å; V440-F442 HydrophobicContact CG1-CD2 4.2Å; V440-F442 HydrophobicContact CG1-CE1 4.42Å; V440-F442 HydrophobicContact CG1-CE2 3.45Å; V440-F442 VanDerWaalsContact CG1-CE2 3.45Å; V440-F442 HydrophobicContact CG1-CZ 3.59Å; V440-W447 HydrophobicContact CB-CB 4.22Å; V440-W447 PolarHBondContact N-O 3.1Å; V440-W447 VanDerWaalsContact N-O 3.08Å; V440-W447 PolarHBondContact O-N 3.04Å; V440-F457 HydrophobicContact CG2-CE2 4.25Å; V440-F457 HydrophobicContact CG2-CZ 4.22Å
441	L	93.4	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.7	178	179.3	59.8	0	0	0	110.4	I421 R422 L446 L467 W506 D509 L510	I421-L441 HydrophobicContact CB-CB 4.5Å; I421-L441 HydrophobicContact CB-CD2 4.12Å; I421-L441 HydrophobicContact CB-CG 4.05Å; I421-L441 HydrophobicContact CD1-CD2 4.46Å; I421-L441 HydrophobicContact CD1-CG 4.3Å; I421-L441 HydrophobicContact CG2-CD2 4.07Å; I421-L441 PolarHBondContact N-O 3.17Å; R422-L441 HydrophobicContact CB-CB 4.49Å; R422-L441 PolarHBondContact N-O 3.06Å; R422-L441 PolarHBondContact O-N 3.3Å; L441-L446 HydrophobicContact CB-CD1 4.17Å; L441-L446 HydrophobicContact CD1-CB 4.24Å; L441-L446 HydrophobicContact CD1-CD1 4.24Å; L441-L467 HydrophobicContact CD1-CD1 4.08Å; L441-L467 HydrophobicContact CD1-CD2 3.94Å; L441-W506 HydrophobicContact CB-CH2 4.11Å; L441-W506 HydrophobicContact CB-CZ3 3.73Å; L441-W506 HydrophobicContact CD2-CZ3 4.33Å; L441-D509 HydrophobicContact CD2-CB 4.09Å; L441-L510 HydrophobicContact CD1-CD2 3.57Å; L441-L510 HydrophobicContact CD2-CD2 3.87Å; L441-L510 HydrophobicContact CD2-CG 4.15Å; L441-L510 HydrophobicContact CG-CD2 4.37Å
442	F	90.3	Very high	91.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	168.3	167	-60.2	-83.4	0	0	0	110.8	F407 F411 V413 R418 V419 L420 V440 D444 Y445 W447 L467	F407-F442 HydrophobicContact CE2-CE2 4.43Å; F407-F442 HydrophobicContact CE2-CZ 4.4Å; F411-F442 HydrophobicContact CE1-CD2 4.29Å; F411-F442 AromaticContact CE1-CE2 3.64Å; F411-F442 HydrophobicContact CE1-CE2 3.64Å; F411-F442 AromaticContact CE1-CZ 3.9Å; F411-F442 HydrophobicContact CE1-CZ 3.9Å; F411-F442 HydrophobicContact CZ-CE2 4.29Å; V413-F442 HydrophobicContact CG1-CZ 4.39Å; R418-F442 HydrophobicContact CG-CB 3.79Å; R418-F442 HydrophobicContact CG-CD1 3.53Å; R418-F442 HydrophobicContact CG-CE1 4.31Å; R418-F442 HydrophobicContact CG-CG 3.81Å; V419-F442 CarbonylContact O-C 3.52Å; V419-F442 VanDerWaalsContact O-CA 3.23Å; V419-F442 WeakPolarHBondContact O-CA 3.47Å; L420-F442 HydrophobicContact CB-CD1 4.32Å; L420-F442 HydrophobicContact CB-CE1 4.19Å; L420-F442 HydrophobicContact CD1-CD1 4.44Å; L420-F442 HydrophobicContact CD1-CE1 4.1Å; L420-F442 HydrophobicContact CD1-CZ 4.41Å; V440-F442 HydrophobicContact CB-CE2 4.14Å; V440-F442 HydrophobicContact CG1-CD2 4.2Å; V440-F442 HydrophobicContact CG1-CE1 4.42Å; V440-F442 HydrophobicContact CG1-CE2 3.45Å; V440-F442 VanDerWaalsContact CG1-CE2 3.45Å; V440-F442 HydrophobicContact CG1-CZ 3.59Å; F442-D444 WeakPolarHBondContact CB-OD1 2.99Å; F442-D444 PolarHBondContact O-N 3.2Å; F442-Y445 PolarHBondContact N-O 3.18Å; F442-W447 AromaticContact CE2-CD1 3.94Å; F442-L467 WeakPolarHBondContact O-CD1 3.14Å
443	T	85.9	Confident	91.2	Very high	43 Å²	43	38.6 Å²	38.6	26%	0.264	21%	0.209	S	C	.	.	S	Bend	trans	-58.6	-11.8	173.5	43.9	0	0	0	0	115.5	G417 R418 V419 I421	G417-T443 PolarHBondContact O-OG1 2.8Å; R418-T443 WeakPolarHBondContact CA-OG1 3.41Å; V419-T443 HydrophobicContact CB-CG2 3.94Å; V419-T443 PolarHBondContact N-OG1 2.88Å; V419-T443 PolarHBondContact O-N 3.23Å; V419-T443 VanDerWaalsContact O-N 3.1Å; I421-T443 HydrophobicContact CD1-CG2 3.93Å; I421-T443 HydrophobicContact CG1-CG2 4.19Å
444	D	83.9	Confident	90.8	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.102	21%	0.211	C	C	.	.	S	Bend	trans	-128.8	-34.9	-176.8	63.8	-18	0	0	0	114.6	R418 F442 L467	R418-D444 IonicContact CZ-OD1 3.23Å; R418-D444 IonicContact CZ-OD2 3.57Å; R418-D444 VanDerWaalsContact CZ-OD2 3.28Å; R418-D444 IonicContact NE-OD1 3.93Å; R418-D444 PolarHBondContact NE-OD1 2.87Å; R418-D444 IonicContact NE-OD2 2.68Å; R418-D444 PolarHBondContact NE-OD2 3.01Å; R418-D444 IonicContact NH2-OD1 2.67Å; R418-D444 IonicContact NH2-OD2 3.23Å; R418-D444 PolarHBondContact NH2-OD2 2.98Å; F442-D444 WeakPolarHBondContact CB-OD1 2.99Å; F442-D444 PolarHBondContact O-N 3.2Å; D444-L467 PolarHBondContact O-N 3.47Å
445	Y	90.7	Very high	90.4	Very high	56 Å²	56	34.6 Å²	34.6	22%	0.22	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.1	180	-67.5	-75.8	0	0	0	113	F442 R464 I465 P466	F442-Y445 PolarHBondContact N-O 3.18Å; Y445-R464 HydrophobicContact CD1-CG 3.4Å; Y445-R464 VanDerWaalsContact CD1-CG 3.4Å; Y445-R464 HydrophobicContact CE1-CG 3.88Å; Y445-R464 HydrophobicContact CG-CG 3.82Å; Y445-I465 WeakPolarHBondContact CA-O 3.37Å; Y445-P466 HydrophobicContact CD1-CB 4.15Å; Y445-P466 HydrophobicContact CD1-CG 4.36Å; Y445-P466 HydrophobicContact CE1-CB 3.88Å; Y445-P466 HydrophobicContact CE1-CG 3.93Å
446	L	93.9	Very high	90.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	156.8	176.8	63.4	0	0	0	109.4	L441 I448 I465 L467 M470 I486 W506	L441-L446 HydrophobicContact CB-CD1 4.17Å; L441-L446 HydrophobicContact CD1-CB 4.24Å; L441-L446 HydrophobicContact CD1-CD1 4.24Å; L446-I448 HydrophobicContact CG-CG1 4.48Å; L446-I465 PolarHBondContact N-O 2.8Å; L446-I465 PolarHBondContact O-N 3Å; L446-L467 HydrophobicContact CB-CD2 4.01Å; L446-M470 HydrophobicContact CB-SD 4.31Å; L446-M470 HydrophobicContact CD2-CE 3.95Å; L446-M470 HydrophobicContact CD2-SD 3.81Å; L446-I486 HydrophobicContact CD2-CD1 3.64Å; L446-W506 HydrophobicContact CD1-CZ3 3.9Å
447	W	94.4	Very high	90.3	Very high	13 Å²	13	30 Å²	30	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	167	-84.3	100.9	0	0	0	111	F407 F411 L439 V440 F442 I459 Y463 R464	F407-W447 AromaticContact CE1-CD2 3.8Å; F407-W447 HydrophobicContact CE1-CD2 3.8Å; F407-W447 AromaticContact CE1-CE2 3.74Å; F407-W447 HydrophobicContact CE1-CE3 4.27Å; F407-W447 HydrophobicContact CE1-CG 4.03Å; F407-W447 HydrophobicContact CE1-CZ2 4.15Å; F407-W447 AromaticContact CE1-NE1 3.94Å; F407-W447 HydrophobicContact CZ-CB 4.35Å; F407-W447 AromaticContact CZ-CD1 3.8Å; F407-W447 HydrophobicContact CZ-CD2 4.18Å; F407-W447 AromaticContact CZ-CG 3.9Å; F407-W447 HydrophobicContact CZ-CG 3.9Å; F407-W447 AromaticContact CZ-NE1 3.96Å; F411-W447 HydrophobicContact CB-CZ2 4.46Å; F411-W447 AromaticContact CD1-NE1 3.79Å; F411-W447 AromaticContact CD2-CZ2 3.74Å; F411-W447 HydrophobicContact CD2-CZ2 3.74Å; F411-W447 AromaticContact CD2-NE1 3.78Å; F411-W447 AromaticContact CE1-NE1 3.49Å; F411-W447 HydrophobicContact CE2-CZ2 4.14Å; F411-W447 AromaticContact CE2-NE1 3.46Å; F411-W447 HydrophobicContact CG-CZ2 4.06Å; F411-W447 AromaticContact CG-NE1 3.93Å; F411-W447 AromaticContact CZ-NE1 3.31Å; F411-W447 VanDerWaalsContact CZ-NE1 3.31Å; L439-W447 WeakPolarHBondContact CA-O 3.47Å; V440-W447 HydrophobicContact CB-CB 4.22Å; V440-W447 PolarHBondContact N-O 3.1Å; V440-W447 VanDerWaalsContact N-O 3.08Å; V440-W447 PolarHBondContact O-N 3.04Å; F442-W447 AromaticContact CE2-CD1 3.94Å; W447-I459 HydrophobicContact CH2-CG2 4.24Å; W447-Y463 CarbonylContact C-O 3.41Å; W447-Y463 WeakPolarHBondContact CA-O 3.32Å; W447-R464 HydrophobicContact CD2-CB 3.95Å; W447-R464 HydrophobicContact CD2-CG 4.35Å; W447-R464 HydrophobicContact CE3-CB 3.96Å; W447-R464 HydrophobicContact CH2-CB 3.86Å; W447-R464 HydrophobicContact CZ2-CB 3.83Å; W447-R464 HydrophobicContact CZ2-CG 4.09Å; W447-R464 HydrophobicContact CZ3-CB 3.91Å
448	I	94.2	Very high	90	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	88.9	167.3	-50	179	0	0	0	107.3	R437 L439 L446 S462 Y463 I465 I486 A493	R437-I448 HydrophobicContact CB-CG2 4.24Å; R437-I448 HydrophobicContact CG-CG2 4.18Å; L439-I448 HydrophobicContact CD2-CB 4.1Å; L439-I448 HydrophobicContact CD2-CG1 3.84Å; L439-I448 HydrophobicContact CD2-CG2 3.95Å; L446-I448 HydrophobicContact CG-CG1 4.48Å; I448-S462 WeakPolarHBondContact O-CA 3.24Å; I448-Y463 HydrophobicContact CB-CD2 4.39Å; I448-Y463 PolarHBondContact N-O 3.16Å; I448-Y463 PolarHBondContact O-N 3.23Å; I448-I465 HydrophobicContact CD1-CD1 3.7Å; I448-I465 HydrophobicContact CG1-CD1 4.32Å; I448-I486 HydrophobicContact CD1-CD1 4.49Å; I448-A493 HydrophobicContact CD1-CB 4.12Å
449	C	94.2	Very high	89.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.9	-172.6	-68.1	0	0	0	0	112.9	R437 Y438 F457 S462	R437-C449 WeakPolarHBondContact CA-O 3.15Å; R437-C449 WeakPolarHBondContact CD-O 3.43Å; Y438-C449 PolarHBondContact N-O 3.14Å; Y438-C449 WeakPolarHBondContact O-CB 3.04Å; Y438-C449 PolarHBondContact O-N 3.01Å; C449-F457 HydrophobicContact CB-CB 4.19Å; C449-F457 HydrophobicContact CB-CD1 3.54Å; C449-F457 HydrophobicContact CB-CD2 4.25Å; C449-F457 HydrophobicContact CB-CE1 3.89Å; C449-F457 HydrophobicContact CB-CG 3.74Å; C449-F457 HydrophobicContact CB-CZ 4.39Å; C449-S462 WeakPolarHBondContact CA-OG 3.38Å
450	R	92.3	Very high	88.9	Confident	86 Å²	86	35.6 Å²	35.6	33%	0.325	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-85.7	126.3	161.3	-179.7	-178.5	-179.4	92.3	5.5	108.2	F457 D458 S462	R450-F457 WeakPolarHBondContact O-CA 3.49Å; R450-D458 HydrophobicContact CB-CB 4.31Å; R450-D458 HydrophobicContact CG-CB 4.44Å; R450-D458 PolarHBondContact O-N 3.3Å; R450-S462 PolarHBondContact N-OG 3.31Å
451	V	89.9	Confident	88.6	Confident	45 Å²	45	43.4 Å²	43.4	27%	0.273	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-87.3	140.9	174.6	-160.8	0	0	0	0	109.7	G455 Q456 F457	V451-G455 WeakPolarHBondContact CG1-O 3.36Å; V451-Q456 CarbonylContact C-O 3.58Å; V451-Q456 WeakPolarHBondContact CA-O 3.41Å; V451-F457 HydrophobicContact CG2-CD1 4.33Å; V451-F457 HydrophobicContact CG2-CE1 4.32Å
452	S	87.9	Confident	88.5	Confident	41 Å²	41	44 Å²	44	29%	0.287	24%	0.242	S	C	.	.			trans	-83.6	174.3	169.7	68.6	0	0	0	0	111.4	S454 G455 Q456	S452-S454 PolarHBondContact O-N 3.03Å; S452-S454 PolarHBondContact OG-N 3.4Å; S452-S454 VanDerWaalsContact OG-N 3.17Å; S452-S454 PolarHBondContact OG-OG 3.02Å; S452-G455 PolarHBondContact O-N 3.33Å; S452-Q456 PolarHBondContact N-O 2.87Å; S452-Q456 WeakPolarHBondContact OG-CB 3.46Å; S452-Q456 PolarHBondContact OG-N 3.11Å; S452-Q456 PolarHBondContact OG-O 3.09Å
453	S	81.7	Confident	88.5	Confident	138 Å²	138	46.9 Å²	46.9	97%	0.965	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.4	168.7	44.7	0	0	0	0	113.9
454	S	81	Confident	88.7	Confident	76 Å²	76	50.5 Å²	50.5	53%	0.531	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12.6	176.9	54.9	0	0	0	0	114.1	S452 Q456	S452-S454 PolarHBondContact O-N 3.03Å; S452-S454 PolarHBondContact OG-N 3.4Å; S452-S454 VanDerWaalsContact OG-N 3.17Å; S452-S454 PolarHBondContact OG-OG 3.02Å; S454-Q456 PolarHBondContact O-N 3.25Å
455	G	83.4	Confident	89.1	Confident	31 Å²	31	49.6 Å²	49.6	32%	0.32	26%	0.257	S	S	.	.	S	Bend	trans	73.2	-6.9	-178.5	0	0	0	0	0	115.2	R406 V451 S452	R406-G455 PolarHBondContact NE-O 3.02Å; R406-G455 PolarHBondContact NH2-O 3Å; V451-G455 WeakPolarHBondContact CG1-O 3.36Å; S452-G455 PolarHBondContact O-N 3.33Å
456	Q	87.5	Confident	89	Confident	33 Å²	33	48.7 Å²	48.7	15%	0.154	26%	0.258	C	S	.	.			trans	-74.7	155.8	178.6	-69.7	-69.6	-16.8	0	0	112.1	Y405 R406 Q408 V451 S452 S454	Y405-Q456 PolarHBondContact O-NE2 3.38Å; Y405-Q456 VanDerWaalsContact O-NE2 3.17Å; Y405-Q456 PolarHBondContact O-OE1 3.48Å; R406-Q456 VanDerWaalsContact CA-OE1 3.27Å; R406-Q456 PolarHBondContact O-OE1 2.92Å; R406-Q456 VanDerWaalsContact O-OE1 3.13Å; Q408-Q456 HydrophobicContact CG-CB 4.42Å; Q408-Q456 VanDerWaalsContact CG-OE1 3.26Å; V451-Q456 CarbonylContact C-O 3.58Å; V451-Q456 WeakPolarHBondContact CA-O 3.41Å; S452-Q456 PolarHBondContact N-O 2.87Å; S452-Q456 WeakPolarHBondContact OG-CB 3.46Å; S452-Q456 PolarHBondContact OG-N 3.11Å; S452-Q456 PolarHBondContact OG-O 3.09Å; S454-Q456 PolarHBondContact O-N 3.25Å
457	F	91.4	Very high	88.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-88.3	125	174.5	-57.6	-36.8	0	0	0	111.3	L403 R406 F407 Y438 V440 C449 R450 V451 I459	L403-F457 HydrophobicContact CD2-CE2 4Å; L403-F457 HydrophobicContact CD2-CZ 4.24Å; R406-F457 HydrophobicContact CB-CD2 3.88Å; R406-F457 HydrophobicContact CB-CE1 4.39Å; R406-F457 HydrophobicContact CB-CE2 3.69Å; R406-F457 HydrophobicContact CB-CG 4.32Å; R406-F457 HydrophobicContact CB-CZ 3.97Å; R406-F457 VanDerWaalsContact O-CB 3.24Å; R406-F457 WeakPolarHBondContact O-CB 3.41Å; R406-F457 WeakPolarHBondContact O-CD2 3.46Å; R406-F457 WeakPolarHBondContact O-CG 3.39Å; R406-F457 PolarHBondContact O-N 3.27Å; F407-F457 AromaticContact CD1-CD2 3.73Å; F407-F457 HydrophobicContact CD1-CD2 3.73Å; F407-F457 HydrophobicContact CD1-CE2 4.42Å; F407-F457 HydrophobicContact CD2-CD2 4.15Å; F407-F457 HydrophobicContact CD2-CE2 4.12Å; F407-F457 AromaticContact CE1-CD2 3.77Å; F407-F457 HydrophobicContact CE1-CD2 3.77Å; F407-F457 HydrophobicContact CE1-CE2 4.23Å; F407-F457 HydrophobicContact CE2-CD2 4.19Å; F407-F457 AromaticContact CE2-CE2 3.91Å; F407-F457 HydrophobicContact CE2-CE2 3.91Å; F407-F457 AromaticContact CG-CD2 3.91Å; F407-F457 HydrophobicContact CG-CD2 3.91Å; F407-F457 HydrophobicContact CG-CE2 4.35Å; F407-F457 AromaticContact CZ-CD2 4Å; F407-F457 HydrophobicContact CZ-CD2 4Å; F407-F457 AromaticContact CZ-CE2 3.96Å; F407-F457 HydrophobicContact CZ-CE2 3.96Å; Y438-F457 AromaticContact CD1-CE1 3.79Å; Y438-F457 HydrophobicContact CD1-CE1 3.79Å; Y438-F457 AromaticContact CD1-CZ 3.52Å; Y438-F457 HydrophobicContact CD1-CZ 3.52Å; Y438-F457 HydrophobicContact CE1-CZ 4.07Å; Y438-F457 AromaticContact CG-CE1 3.79Å; Y438-F457 HydrophobicContact CG-CE1 3.79Å; Y438-F457 HydrophobicContact CG-CZ 4.03Å; V440-F457 HydrophobicContact CG2-CE2 4.25Å; V440-F457 HydrophobicContact CG2-CZ 4.22Å; C449-F457 HydrophobicContact CB-CB 4.19Å; C449-F457 HydrophobicContact CB-CD1 3.54Å; C449-F457 HydrophobicContact CB-CD2 4.25Å; C449-F457 HydrophobicContact CB-CE1 3.89Å; C449-F457 HydrophobicContact CB-CG 3.74Å; C449-F457 HydrophobicContact CB-CZ 4.39Å; R450-F457 WeakPolarHBondContact O-CA 3.49Å; V451-F457 HydrophobicContact CG2-CD1 4.33Å; V451-F457 HydrophobicContact CG2-CE1 4.32Å; F457-I459 VanDerWaalsContact C-N 3.34Å; F457-I459 HydrophobicContact CB-CD1 3.99Å; F457-I459 PolarHBondContact O-N 2.98Å
458	D	88.2	Confident	88.1	Confident	35 Å²	35	50.9 Å²	50.9	19%	0.187	27%	0.269	C	S	.	.			trans	-74.7	86.2	170.5	179	-12.2	0	0	0	108.3	R450 N460 R461 S462	R450-D458 HydrophobicContact CB-CB 4.31Å; R450-D458 HydrophobicContact CG-CB 4.44Å; R450-D458 PolarHBondContact O-N 3.3Å; D458-N460 VanDerWaalsContact C-N 3.25Å; D458-N460 PolarHBondContact O-N 3.03Å; D458-R461 HydrophobicContact CB-CB 4.45Å; D458-R461 CarbonylContact O-C 3.53Å; D458-R461 PolarHBondContact O-N 2.99Å; D458-R461 WeakPolarHBondContact OD1-CG 3.35Å; D458-R461 PolarHBondContact OD1-N 2.67Å; D458-R461 WeakPolarHBondContact OD2-CD 3.28Å; D458-R461 WeakPolarHBondContact OD2-CG 3.44Å; D458-R461 IonicContact OD2-NE 2.73Å; D458-R461 IonicContact OD2-NH1 3.81Å; D458-S462 WeakPolarHBondContact O-CB 3.35Å; D458-S462 PolarHBondContact O-N 3.27Å; D458-S462 PolarHBondContact O-OG 3.05Å
459	I	84.9	Confident	87.5	Confident	30 Å²	30	57 Å²	57	15%	0.154	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.9	-43.7	-173.9	-53.5	-53.7	0	0	0	111.3	F407 Q410 W447 F457 R461 S462	F407-I459 HydrophobicContact CD1-CD1 3.73Å; F407-I459 HydrophobicContact CE1-CD1 4.49Å; Q410-I459 HydrophobicContact CB-CG1 4.48Å; W447-I459 HydrophobicContact CH2-CG2 4.24Å; F457-I459 VanDerWaalsContact C-N 3.34Å; F457-I459 HydrophobicContact CB-CD1 3.99Å; F457-I459 PolarHBondContact O-N 2.98Å; I459-R461 PolarHBondContact O-N 3.18Å; I459-S462 PolarHBondContact O-N 3.16Å; I459-S462 VanDerWaalsContact O-N 3.17Å
460	N	84.1	Confident	87.3	Confident	100 Å²	100	57.2 Å²	57.2	54%	0.535	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-66.7	-18.4	-179.3	-68.4	-45.9	0	0	0	113.8	D458	D458-N460 VanDerWaalsContact C-N 3.25Å; D458-N460 PolarHBondContact O-N 3.03Å
461	R	86.7	Confident	87.2	Confident	163 Å²	163	60.7 Å²	60.7	62%	0.615	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-116.2	14.1	175.4	-55.2	-170	-175.2	143.8	-9.9	113.7	D458 I459	D458-R461 HydrophobicContact CB-CB 4.45Å; D458-R461 CarbonylContact O-C 3.53Å; D458-R461 PolarHBondContact O-N 2.99Å; D458-R461 WeakPolarHBondContact OD1-CG 3.35Å; D458-R461 PolarHBondContact OD1-N 2.67Å; D458-R461 WeakPolarHBondContact OD2-CD 3.28Å; D458-R461 WeakPolarHBondContact OD2-CG 3.44Å; D458-R461 IonicContact OD2-NE 2.73Å; D458-R461 IonicContact OD2-NH1 3.81Å; I459-R461 PolarHBondContact O-N 3.18Å
462	S	91.4	Very high	87.3	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.098	31%	0.308	C	S	.	.	S	Bend	trans	-105.2	154.2	177.1	-63.7	0	0	0	0	110.8	I448 C449 R450 D458 I459	I448-S462 WeakPolarHBondContact O-CA 3.24Å; C449-S462 WeakPolarHBondContact CA-OG 3.38Å; R450-S462 PolarHBondContact N-OG 3.31Å; D458-S462 WeakPolarHBondContact O-CB 3.35Å; D458-S462 PolarHBondContact O-N 3.27Å; D458-S462 PolarHBondContact O-OG 3.05Å; I459-S462 PolarHBondContact O-N 3.16Å; I459-S462 VanDerWaalsContact O-N 3.17Å
463	Y	90.7	Very high	87.5	Confident	61 Å²	61	62.9 Å²	62.9	24%	0.239	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.4	-175.9	-54.8	-82.5	0	0	0	111.1	W447 I448 K491	W447-Y463 CarbonylContact C-O 3.41Å; W447-Y463 WeakPolarHBondContact CA-O 3.32Å; I448-Y463 HydrophobicContact CB-CD2 4.39Å; I448-Y463 PolarHBondContact N-O 3.16Å; I448-Y463 PolarHBondContact O-N 3.23Å; Y463-K491 HydrophobicContact CD1-CB 3.73Å; Y463-K491 HydrophobicContact CD1-CD 3.93Å; Y463-K491 HydrophobicContact CD1-CG 3.76Å; Y463-K491 HydrophobicContact CD2-CG 4.32Å; Y463-K491 HydrophobicContact CE1-CB 4.17Å; Y463-K491 HydrophobicContact CE1-CD 3.44Å; Y463-K491 VanDerWaalsContact CE1-CD 3.44Å; Y463-K491 HydrophobicContact CE1-CG 3.71Å; Y463-K491 HydrophobicContact CE2-CG 4.29Å; Y463-K491 HydrophobicContact CG-CB 4.03Å; Y463-K491 HydrophobicContact CG-CG 4.06Å; Y463-K491 VanDerWaalsContact CZ-CE 3.5Å; Y463-K491 VanDerWaalsContact OH-CE 3.28Å; Y463-K491 WeakPolarHBondContact OH-CE 3.37Å; Y463-K491 PolarHBondContact OH-NZ 3.04Å; Y463-K491 VanDerWaalsContact OH-NZ 3.08Å
464	R	91.3	Very high	87.8	Confident	119 Å²	119	60.8 Å²	60.8	45%	0.449	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.6	168.5	-177.9	176.3	62.7	173.3	-3	109.5	Y445 W447	Y445-R464 HydrophobicContact CD1-CG 3.4Å; Y445-R464 VanDerWaalsContact CD1-CG 3.4Å; Y445-R464 HydrophobicContact CE1-CG 3.88Å; Y445-R464 HydrophobicContact CG-CG 3.82Å; W447-R464 HydrophobicContact CD2-CB 3.95Å; W447-R464 HydrophobicContact CD2-CG 4.35Å; W447-R464 HydrophobicContact CE3-CB 3.96Å; W447-R464 HydrophobicContact CH2-CB 3.86Å; W447-R464 HydrophobicContact CZ2-CB 3.83Å; W447-R464 HydrophobicContact CZ2-CG 4.09Å; W447-R464 HydrophobicContact CZ3-CB 3.91Å
465	I	91.1	Very high	88	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.4	-177	-59.8	179.6	0	0	0	109.2	Y445 L446 I448 L467 M470 I486	Y445-I465 WeakPolarHBondContact CA-O 3.37Å; L446-I465 PolarHBondContact N-O 2.8Å; L446-I465 PolarHBondContact O-N 3Å; I448-I465 HydrophobicContact CD1-CD1 3.7Å; I448-I465 HydrophobicContact CG1-CD1 4.32Å; I465-L467 PolarHBondContact O-N 3.41Å; I465-M470 HydrophobicContact CG2-CB 4.01Å; I465-M470 HydrophobicContact CG2-CG 3.93Å; I465-M470 HydrophobicContact CG2-SD 3.74Å; I465-I486 HydrophobicContact CD1-CG2 4.29Å
466	P	88.5	Confident	87.7	Confident	36 Å²	36	65.4 Å²	65.4	23%	0.234	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.7	172.9	-6.1	18	0	0	0	110	Y445 E468 Y469	Y445-P466 HydrophobicContact CD1-CB 4.15Å; Y445-P466 HydrophobicContact CD1-CG 4.36Å; Y445-P466 HydrophobicContact CE1-CB 3.88Å; Y445-P466 HydrophobicContact CE1-CG 3.93Å; P466-E468 PolarHBondContact O-N 3.1Å; P466-Y469 PolarHBondContact O-N 3.14Å
467	L	88.5	Confident	87.3	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.5	-26.3	-176.9	-67.6	-176.6	0	0	0	113.3	L441 F442 D444 L446 I465 Y469 M470 L510 A513 Q514	L441-L467 HydrophobicContact CD1-CD1 4.08Å; L441-L467 HydrophobicContact CD1-CD2 3.94Å; F442-L467 WeakPolarHBondContact O-CD1 3.14Å; D444-L467 PolarHBondContact O-N 3.47Å; L446-L467 HydrophobicContact CB-CD2 4.01Å; I465-L467 PolarHBondContact O-N 3.41Å; L467-Y469 VanDerWaalsContact C-N 3.31Å; L467-Y469 PolarHBondContact O-N 3.02Å; L467-M470 HydrophobicContact CD2-CE 4.43Å; L467-M470 HydrophobicContact CD2-SD 4.33Å; L467-M470 PolarHBondContact O-N 3.3Å; L467-L510 HydrophobicContact CD2-CD2 3.96Å; L467-A513 HydrophobicContact CD1-CB 3.72Å; L467-Q514 HydrophobicContact CB-CG 4.47Å; L467-Q514 PolarHBondContact O-NE2 3.45Å
468	E	81.4	Confident	86.2	Confident	60 Å²	60	75 Å²	75	28%	0.28	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.8	-36	-178.7	-170.2	177.4	142.6	0	0	113.7	P466 K521	P466-E468 PolarHBondContact O-N 3.1Å; E468-K521 IonicContact OE1-NZ 2.71Å; E468-K521 PolarHBondContact OE1-NZ 2.87Å; E468-K521 WeakPolarHBondContact OE2-CE 3.14Å; E468-K521 IonicContact OE2-NZ 2.72Å; E468-K521 PolarHBondContact OE2-NZ 2.68Å
469	Y	80.9	Confident	85.5	Confident	128 Å²	128	81.9 Å²	81.9	50%	0.502	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-112.4	15.5	-176.5	-48.7	-50.3	0	0	0	113	P466 L467	P466-Y469 PolarHBondContact O-N 3.14Å; L467-Y469 VanDerWaalsContact C-N 3.31Å; L467-Y469 PolarHBondContact O-N 3.02Å
470	M	89.9	Confident	85.3	Confident	5 Å²	5	85.4 Å²	85.4	3%	0.025	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141	175.2	-164.5	172.3	105	0	0	110	L446 I465 L467 F472 I486 L510 Q514	L446-M470 HydrophobicContact CB-SD 4.31Å; L446-M470 HydrophobicContact CD2-CE 3.95Å; L446-M470 HydrophobicContact CD2-SD 3.81Å; I465-M470 HydrophobicContact CG2-CB 4.01Å; I465-M470 HydrophobicContact CG2-CG 3.93Å; I465-M470 HydrophobicContact CG2-SD 3.74Å; L467-M470 HydrophobicContact CD2-CE 4.43Å; L467-M470 HydrophobicContact CD2-SD 4.33Å; L467-M470 PolarHBondContact O-N 3.3Å; M470-F472 HydrophobicContact CE-CB 4.35Å; M470-F472 HydrophobicContact CE-CD1 3.74Å; M470-F472 HydrophobicContact CE-CG 4.45Å; M470-I486 HydrophobicContact CE-CG1 4.49Å; M470-I486 HydrophobicContact CE-CG2 4.13Å; M470-I486 HydrophobicContact CG-CG2 3.73Å; M470-I486 HydrophobicContact SD-CG2 3.62Å; M470-L510 HydrophobicContact CE-CD1 3.84Å; M470-L510 HydrophobicContact CE-CD2 3.64Å; M470-L510 HydrophobicContact CE-CG 4.32Å; M470-Q514 PolarHBondContact O-NE2 3.3Å
471	K	91.4	Very high	85.3	Confident	158 Å²	158	83.3 Å²	83.3	69%	0.687	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.8	159.1	-66.8	-171.3	176	-170.1	0	108.2	R487	K471-R487 HydrophobicContact CB-CB 4.44Å; K471-R487 PolarHBondContact N-O 2.82Å; K471-R487 PolarHBondContact O-N 2.73Å
472	F	92.3	Very high	85.4	Confident	44 Å²	44	80.8 Å²	80.8	19%	0.193	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.3	171.3	55.2	-93.6	0	0	0	109.8	M470 L484 Q485 I486 T507 L510 T511 Q514	M470-F472 HydrophobicContact CE-CB 4.35Å; M470-F472 HydrophobicContact CE-CD1 3.74Å; M470-F472 HydrophobicContact CE-CG 4.45Å; F472-L484 HydrophobicContact CB-CD1 4.34Å; F472-L484 HydrophobicContact CB-CD2 4.32Å; F472-L484 HydrophobicContact CB-CG 4.29Å; F472-L484 HydrophobicContact CD2-CD1 4.26Å; F472-Q485 CarbonylContact C-O 3.12Å; F472-Q485 VanDerWaalsContact CA-O 3.22Å; F472-Q485 WeakPolarHBondContact CA-O 3.13Å; F472-I486 HydrophobicContact CB-CG1 4.48Å; F472-T507 HydrophobicContact CD2-CG2 3.94Å; F472-T507 HydrophobicContact CE2-CG2 3.59Å; F472-L510 HydrophobicContact CD1-CB 4.14Å; F472-L510 HydrophobicContact CD1-CD1 4.31Å; F472-L510 HydrophobicContact CE1-CB 3.69Å; F472-L510 HydrophobicContact CE2-CB 4.47Å; F472-L510 HydrophobicContact CG-CD1 4.43Å; F472-L510 HydrophobicContact CZ-CB 3.88Å; F472-T511 WeakPolarHBondContact CZ-OG1 3.12Å; F472-Q514 HydrophobicContact CE1-CG 4.42Å
473	E	91	Very high	85.4	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131	-172.3	-157.5	162.7	105.6	0	0	108.4	L484 Q485 R487	E473-L484 WeakPolarHBondContact O-CD1 3.34Å; E473-Q485 PolarHBondContact N-O 3Å; E473-Q485 PolarHBondContact O-N 3.4Å; E473-R487 IonicContact OE1-CZ 3.68Å; E473-R487 IonicContact OE1-NH1 3.28Å; E473-R487 IonicContact OE1-NH2 2.69Å; E473-R487 PolarHBondContact OE1-NH2 3.31Å; E473-R487 IonicContact OE2-CZ 3.52Å; E473-R487 IonicContact OE2-NH1 2.83Å; E473-R487 PolarHBondContact OE2-NH1 2.89Å; E473-R487 IonicContact OE2-NH2 2.71Å; E473-R487 PolarHBondContact OE2-NH2 2.96Å
474	R	88.6	Confident	85.5	Confident	94 Å²	94	77.5 Å²	77.5	36%	0.355	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.7	171.9	-69.5	176.9	165.5	166.3	3.9	108	L484 T507 D508	R474-L484 HydrophobicContact CG-CD1 4.29Å; R474-T507 HydrophobicContact CG-CG2 4.16Å; R474-T507 PolarHBondContact NE-OG1 2.97Å; R474-D508 IonicContact NH2-OD1 2.85Å; R474-D508 PolarHBondContact NH2-OD1 3.04Å
475	M	85.2	Confident	85.6	Confident	33 Å²	33	74.7 Å²	74.7	16%	0.163	34%	0.338	C	S	.	.			trans	-94.7	130.1	170.1	-55.8	-59	-54.1	0	0	108.8	E477 R480 C483 Q485 L494	M475-E477 VanDerWaalsContact CE-OE2 3.26Å; M475-E477 WeakPolarHBondContact CE-OE2 3.38Å; M475-R480 HydrophobicContact CB-CB 3.78Å; M475-R480 HydrophobicContact CG-CB 4.29Å; M475-C483 HydrophobicContact CB-CB 4.24Å; M475-C483 HydrophobicContact CG-CB 3.79Å; M475-Q485 HydrophobicContact SD-CB 4.19Å; M475-L494 HydrophobicContact CG-CD1 4.05Å; M475-L494 HydrophobicContact SD-CD1 4.29Å
476	E	76.3	Confident	85.8	Confident	172 Å²	172	74.8 Å²	74.8	80%	0.804	34%	0.338	S	S	*	.			trans	-104.5	-6.6	-174.1	-61	-177.7	165.1	0	0	113.1
477	E	78.8	Confident	86	Confident	90 Å²	90	77.7 Å²	77.7	42%	0.421	35%	0.345	S	S	.	.	S	Bend	trans	-65.6	131.8	169.8	-53.6	155.3	128.5	0	0	110.1	M475 E479 R480 I481	M475-E477 VanDerWaalsContact CE-OE2 3.26Å; M475-E477 WeakPolarHBondContact CE-OE2 3.38Å; E477-E479 PolarHBondContact O-N 3.2Å; E477-R480 HydrophobicContact CB-CB 4.32Å; E477-R480 HydrophobicContact CB-CG 4.48Å; E477-R480 CarbonylContact O-C 3.29Å; E477-R480 VanDerWaalsContact O-C 3.29Å; E477-R480 WeakPolarHBondContact O-CA 3.42Å; E477-R480 PolarHBondContact O-N 3.28Å; E477-R480 IonicContact OE1-CZ 3.83Å; E477-R480 IonicContact OE1-NH1 3.68Å; E477-R480 PolarHBondContact OE1-NH1 3.45Å; E477-R480 WeakPolarHBondContact OE2-CD 3.41Å; E477-R480 IonicContact OE2-CZ 3.68Å; E477-R480 IonicContact OE2-NE 3.51Å; E477-R480 IonicContact OE2-NH1 2.85Å; E477-R480 PolarHBondContact OE2-NH1 2.98Å; E477-I481 PolarHBondContact O-N 3.1Å
478	D	69	Low	86.1	Confident	144 Å²	144	78.6 Å²	78.6	77%	0.77	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-50.8	-47.9	-175.4	-72.1	-46.5	0	0	0	113.7	R480 I481	D478-R480 PolarHBondContact O-N 3.1Å; D478-R480 VanDerWaalsContact O-N 3.16Å; D478-I481 WeakPolarHBondContact O-CB 3.44Å; D478-I481 VanDerWaalsContact O-CG2 3.31Å; D478-I481 WeakPolarHBondContact O-CG2 3.1Å; D478-I481 PolarHBondContact O-N 3.11Å
479	E	73.6	Confident	86.2	Confident	179 Å²	179	86.9 Å²	86.9	84%	0.836	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-61	-25.7	177.9	-62.4	-167.7	157	0	0	113.2	E477	E477-E479 PolarHBondContact O-N 3.2Å
480	R	79.8	Confident	86.4	Confident	105 Å²	105	84.5 Å²	84.5	40%	0.396	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-109.7	7.1	-176.5	-52.9	-155.2	-168.6	115	7.7	113.3	M475 E477 D478 R482 C483	M475-R480 HydrophobicContact CB-CB 3.78Å; M475-R480 HydrophobicContact CG-CB 4.29Å; E477-R480 HydrophobicContact CB-CB 4.32Å; E477-R480 HydrophobicContact CB-CG 4.48Å; E477-R480 CarbonylContact O-C 3.29Å; E477-R480 VanDerWaalsContact O-C 3.29Å; E477-R480 WeakPolarHBondContact O-CA 3.42Å; E477-R480 PolarHBondContact O-N 3.28Å; E477-R480 IonicContact OE1-CZ 3.83Å; E477-R480 IonicContact OE1-NH1 3.68Å; E477-R480 PolarHBondContact OE1-NH1 3.45Å; E477-R480 WeakPolarHBondContact OE2-CD 3.41Å; E477-R480 IonicContact OE2-CZ 3.68Å; E477-R480 IonicContact OE2-NE 3.51Å; E477-R480 IonicContact OE2-NH1 2.85Å; E477-R480 PolarHBondContact OE2-NH1 2.98Å; D478-R480 PolarHBondContact O-N 3.1Å; D478-R480 VanDerWaalsContact O-N 3.16Å; R480-R482 PolarHBondContact O-N 2.85Å; R480-C483 HydrophobicContact CB-CB 4.34Å; R480-C483 WeakPolarHBondContact O-CA 3.44Å; R480-C483 WeakPolarHBondContact O-CB 3.23Å; R480-C483 PolarHBondContact O-N 2.95Å; R480-C483 PolarHBondContact O-SG 2.88Å
481	I	85.4	Confident	86.2	Confident	56 Å²	56	87.9 Å²	87.9	29%	0.287	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.4	-178.1	-156.8	173.1	0	0	0	113.3	E477 D478 C483 E500 R503	E477-I481 PolarHBondContact O-N 3.1Å; D478-I481 WeakPolarHBondContact O-CB 3.44Å; D478-I481 VanDerWaalsContact O-CG2 3.31Å; D478-I481 WeakPolarHBondContact O-CG2 3.1Å; D478-I481 PolarHBondContact O-N 3.11Å; I481-C483 VanDerWaalsContact C-N 3.3Å; I481-C483 PolarHBondContact O-N 3.46Å; I481-E500 HydrophobicContact CG1-CG 4.04Å; I481-R503 VanDerWaalsContact CG1-NH2 3.28Å; I481-R503 PolarHBondContact O-NE 2.89Å; I481-R503 PolarHBondContact O-NH2 3.28Å
482	R	88.9	Confident	86.1	Confident	110 Å²	110	83.8 Å²	83.8	42%	0.415	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.1	174.6	-59	-174.3	-66.9	133.8	3.1	114.8	R480 I496 F497 S498	R480-R482 PolarHBondContact O-N 2.85Å; R482-I496 HydrophobicContact CB-CG2 4.4Å; R482-F497 PolarHBondContact NH1-O 2.8Å; R482-F497 PolarHBondContact O-N 2.97Å; R482-S498 WeakPolarHBondContact CD-O 3.28Å; R482-S498 PolarHBondContact NH1-O 3.2Å
483	C	90.9	Very high	86	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.034	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.7	-173.7	-54	0	0	0	0	113	M475 R480 I481 L494 I495	M475-C483 HydrophobicContact CB-CB 4.24Å; M475-C483 HydrophobicContact CG-CB 3.79Å; R480-C483 HydrophobicContact CB-CB 4.34Å; R480-C483 WeakPolarHBondContact O-CA 3.44Å; R480-C483 WeakPolarHBondContact O-CB 3.23Å; R480-C483 PolarHBondContact O-N 2.95Å; R480-C483 PolarHBondContact O-SG 2.88Å; I481-C483 VanDerWaalsContact C-N 3.3Å; I481-C483 PolarHBondContact O-N 3.46Å; C483-L494 HydrophobicContact CB-CD1 3.88Å; C483-L494 HydrophobicContact CB-CG 4.31Å; C483-I495 CarbonylContact C-O 3.57Å; C483-I495 WeakPolarHBondContact CA-O 3.42Å
484	L	93.8	Very high	86.1	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	168.2	-172	76.7	0	0	0	108.2	F472 E473 R474 I486 I495 F497 R503 T507 L510	F472-L484 HydrophobicContact CB-CD1 4.34Å; F472-L484 HydrophobicContact CB-CD2 4.32Å; F472-L484 HydrophobicContact CB-CG 4.29Å; F472-L484 HydrophobicContact CD2-CD1 4.26Å; E473-L484 WeakPolarHBondContact O-CD1 3.34Å; R474-L484 HydrophobicContact CG-CD1 4.29Å; L484-I486 HydrophobicContact CD2-CG1 4.33Å; L484-I495 PolarHBondContact N-O 3.24Å; L484-I495 PolarHBondContact O-N 2.86Å; L484-F497 HydrophobicContact CB-CE2 3.73Å; L484-F497 HydrophobicContact CD2-CE2 4.37Å; L484-R503 HydrophobicContact CB-CG 4.47Å; L484-T507 HydrophobicContact CD1-CG2 4.42Å; L484-L510 HydrophobicContact CD2-CD1 3.82Å
485	Q	93.3	Very high	86.4	Confident	60 Å²	60	74.9 Å²	74.9	28%	0.28	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.8	174.6	-161.9	-175.5	59.2	0	0	109.9	F472 E473 M475 L494	F472-Q485 CarbonylContact C-O 3.12Å; F472-Q485 VanDerWaalsContact CA-O 3.22Å; F472-Q485 WeakPolarHBondContact CA-O 3.13Å; E473-Q485 PolarHBondContact N-O 3Å; E473-Q485 PolarHBondContact O-N 3.4Å; M475-Q485 HydrophobicContact SD-CB 4.19Å; Q485-L494 HydrophobicContact CB-CD1 3.83Å; Q485-L494 HydrophobicContact CG-CD1 4.16Å
486	I	93.8	Very high	86.7	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.7	174	-59.3	175.1	0	0	0	108.4	L446 I448 I465 M470 F472 L484 S492 A493 I495	L446-I486 HydrophobicContact CD2-CD1 3.64Å; I448-I486 HydrophobicContact CD1-CD1 4.49Å; I465-I486 HydrophobicContact CD1-CG2 4.29Å; M470-I486 HydrophobicContact CE-CG1 4.49Å; M470-I486 HydrophobicContact CE-CG2 4.13Å; M470-I486 HydrophobicContact CG-CG2 3.73Å; M470-I486 HydrophobicContact SD-CG2 3.62Å; F472-I486 HydrophobicContact CB-CG1 4.48Å; L484-I486 HydrophobicContact CD2-CG1 4.33Å; I486-S492 CarbonylContact O-C 3.52Å; I486-S492 WeakPolarHBondContact O-CA 3.24Å; I486-A493 PolarHBondContact N-O 2.96Å; I486-A493 PolarHBondContact O-N 2.98Å; I486-I495 HydrophobicContact CD1-CG1 3.87Å; I486-I495 HydrophobicContact CG1-CG1 4.49Å
487	R	92.3	Very high	87.6	Confident	98 Å²	98	66.8 Å²	66.8	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.3	176.5	-56.9	-177.9	-171.9	141	5.6	109.3	K471 E473	K471-R487 HydrophobicContact CB-CB 4.44Å; K471-R487 PolarHBondContact N-O 2.82Å; K471-R487 PolarHBondContact O-N 2.73Å; E473-R487 IonicContact OE1-CZ 3.68Å; E473-R487 IonicContact OE1-NH1 3.28Å; E473-R487 IonicContact OE1-NH2 2.69Å; E473-R487 PolarHBondContact OE1-NH2 3.31Å; E473-R487 IonicContact OE2-CZ 3.52Å; E473-R487 IonicContact OE2-NH1 2.83Å; E473-R487 PolarHBondContact OE2-NH1 2.89Å; E473-R487 IonicContact OE2-NH2 2.71Å; E473-R487 PolarHBondContact OE2-NH2 2.96Å
488	S	90.5	Very high	88.2	Confident	20 Å²	20	66.4 Å²	66.4	14%	0.14	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155	179.2	-178.1	0	0	0	0	111.5	V490 K491	S488-V490 PolarHBondContact O-N 3.27Å; S488-V490 PolarHBondContact OG-N 3.25Å; S488-K491 WeakPolarHBondContact CB-O 3.23Å; S488-K491 PolarHBondContact N-O 2.91Å; S488-K491 CarbonylContact O-C 3.59Å; S488-K491 PolarHBondContact O-N 3.26Å
489	R	84.5	Confident	89.3	Confident	233 Å²	233	61.7 Å²	61.7	88%	0.879	30%	0.297	S	S	*	.	S	Bend	trans	-58.6	-27.4	172.7	-66.9	-178	176.9	175.4	-1.9	113.2
490	V	85.3	Confident	90.2	Very high	78 Å²	78	56.7 Å²	56.7	47%	0.473	27%	0.274	S	S	.	.	S	Bend	trans	-80.9	-50.2	176.8	-179.4	0	0	0	0	111.1	S488	S488-V490 PolarHBondContact O-N 3.27Å; S488-V490 PolarHBondContact OG-N 3.25Å
491	K	85.2	Confident	90.8	Very high	77 Å²	77	59 Å²	59	34%	0.335	29%	0.286	S	S	.	.			trans	-160.5	137.3	177.9	-156.8	67.4	170.7	-158	0	111.6	Y463 S488	Y463-K491 HydrophobicContact CD1-CB 3.73Å; Y463-K491 HydrophobicContact CD1-CD 3.93Å; Y463-K491 HydrophobicContact CD1-CG 3.76Å; Y463-K491 HydrophobicContact CD2-CG 4.32Å; Y463-K491 HydrophobicContact CE1-CB 4.17Å; Y463-K491 HydrophobicContact CE1-CD 3.44Å; Y463-K491 VanDerWaalsContact CE1-CD 3.44Å; Y463-K491 HydrophobicContact CE1-CG 3.71Å; Y463-K491 HydrophobicContact CE2-CG 4.29Å; Y463-K491 HydrophobicContact CG-CB 4.03Å; Y463-K491 HydrophobicContact CG-CG 4.06Å; Y463-K491 VanDerWaalsContact CZ-CE 3.5Å; Y463-K491 VanDerWaalsContact OH-CE 3.28Å; Y463-K491 WeakPolarHBondContact OH-CE 3.37Å; Y463-K491 PolarHBondContact OH-NZ 3.04Å; Y463-K491 VanDerWaalsContact OH-NZ 3.08Å; S488-K491 WeakPolarHBondContact CB-O 3.23Å; S488-K491 PolarHBondContact N-O 2.91Å; S488-K491 CarbonylContact O-C 3.59Å; S488-K491 PolarHBondContact O-N 3.26Å
492	S	89.1	Confident	91.1	Very high	71 Å²	71	57.5 Å²	57.5	50%	0.497	28%	0.278	S	S	.	.			trans	-96.8	140.4	162.1	-57.2	0	0	0	0	110.6	I486	I486-S492 CarbonylContact O-C 3.52Å; I486-S492 WeakPolarHBondContact O-CA 3.24Å
493	A	90.7	Very high	91.4	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	130.8	-174.7	0	0	0	0	0	110.7	K428 I448 I486 I495	K428-A493 HydrophobicContact CD-CB 4.38Å; K428-A493 HydrophobicContact CG-CB 4.44Å; I448-A493 HydrophobicContact CD1-CB 4.12Å; I486-A493 PolarHBondContact N-O 2.96Å; I486-A493 PolarHBondContact O-N 2.98Å; A493-I495 HydrophobicContact CB-CD1 4.11Å
494	L	92.5	Very high	91.5	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.183	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.9	160	-172.8	71.8	0	0	0	107.6	Q429 M475 C483 Q485	Q429-L494 HydrophobicContact CB-CB 4.17Å; Q429-L494 HydrophobicContact CB-CD2 4.22Å; Q429-L494 PolarHBondContact N-O 3.48Å; Q429-L494 VanDerWaalsContact N-O 3.07Å; M475-L494 HydrophobicContact CG-CD1 4.05Å; M475-L494 HydrophobicContact SD-CD1 4.29Å; C483-L494 HydrophobicContact CB-CD1 3.88Å; C483-L494 HydrophobicContact CB-CG 4.31Å; Q485-L494 HydrophobicContact CB-CD1 3.83Å; Q485-L494 HydrophobicContact CG-CD1 4.16Å
495	I	94.6	Very high	91.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.4	175.7	-56.4	-58.7	0	0	0	108.2	V426 K428 L439 C483 L484 I486 A493 F497	V426-I495 HydrophobicContact CB-CG2 3.7Å; V426-I495 HydrophobicContact CG1-CG2 4.01Å; V426-I495 HydrophobicContact CG2-CD1 4.43Å; V426-I495 HydrophobicContact CG2-CG2 3.7Å; K428-I495 HydrophobicContact CB-CD1 4.23Å; K428-I495 HydrophobicContact CG-CD1 4.05Å; L439-I495 HydrophobicContact CD1-CG2 4.28Å; C483-I495 CarbonylContact C-O 3.57Å; C483-I495 WeakPolarHBondContact CA-O 3.42Å; L484-I495 PolarHBondContact N-O 3.24Å; L484-I495 PolarHBondContact O-N 2.86Å; I486-I495 HydrophobicContact CD1-CG1 3.87Å; I486-I495 HydrophobicContact CG1-CG1 4.49Å; A493-I495 HydrophobicContact CB-CD1 4.11Å; I495-F497 HydrophobicContact CB-CE2 4.37Å; I495-F497 HydrophobicContact CB-CZ 4.48Å; I495-F497 HydrophobicContact CG2-CD1 4.49Å; I495-F497 HydrophobicContact CG2-CD2 4.32Å; I495-F497 HydrophobicContact CG2-CE1 4.04Å; I495-F497 HydrophobicContact CG2-CE2 3.85Å; I495-F497 HydrophobicContact CG2-CZ 3.71Å
496	I	93.4	Very high	91.6	Very high	31 Å²	31	55.3 Å²	55.3	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.9	176.6	-43	-171.8	0	0	0	107.7	M427 L434 R482	M427-I496 HydrophobicContact CB-CB 4.38Å; M427-I496 PolarHBondContact N-O 3.34Å; M427-I496 PolarHBondContact O-N 3.24Å; L434-I496 HydrophobicContact CD2-CD1 3.55Å; R482-I496 HydrophobicContact CB-CG2 4.4Å
497	F	94.3	Very high	91.5	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.022	28%	0.275	C	S	.	.			trans	-92.1	168.5	-178.2	-66.4	-78.8	0	0	0	111.9	V426 L439 R482 L484 I495 S499 E502 R503 W506	V426-F497 HydrophobicContact CG1-CD1 3.6Å; V426-F497 HydrophobicContact CG1-CE1 3.56Å; L439-F497 HydrophobicContact CD1-CE1 4.04Å; L439-F497 HydrophobicContact CD1-CZ 4.19Å; R482-F497 PolarHBondContact NH1-O 2.8Å; R482-F497 PolarHBondContact O-N 2.97Å; L484-F497 HydrophobicContact CB-CE2 3.73Å; L484-F497 HydrophobicContact CD2-CE2 4.37Å; I495-F497 HydrophobicContact CB-CE2 4.37Å; I495-F497 HydrophobicContact CB-CZ 4.48Å; I495-F497 HydrophobicContact CG2-CD1 4.49Å; I495-F497 HydrophobicContact CG2-CD2 4.32Å; I495-F497 HydrophobicContact CG2-CE1 4.04Å; I495-F497 HydrophobicContact CG2-CE2 3.85Å; I495-F497 HydrophobicContact CG2-CZ 3.71Å; F497-S499 VanDerWaalsContact C-N 3.29Å; F497-S499 PolarHBondContact O-N 2.85Å; F497-E502 HydrophobicContact CB-CB 4.16Å; F497-E502 HydrophobicContact CB-CG 4.05Å; F497-E502 HydrophobicContact CD1-CG 3.68Å; F497-E502 HydrophobicContact CE1-CG 4.49Å; F497-E502 HydrophobicContact CG-CG 4.12Å; F497-R503 HydrophobicContact CB-CB 4.36Å; F497-R503 HydrophobicContact CD2-CB 3.66Å; F497-R503 HydrophobicContact CD2-CG 4.01Å; F497-R503 HydrophobicContact CE2-CB 4.33Å; F497-R503 HydrophobicContact CE2-CG 4.35Å; F497-R503 HydrophobicContact CG-CB 4.27Å; F497-W506 AromaticContact CD1-CD1 3.79Å; F497-W506 HydrophobicContact CD1-CG 4.35Å; F497-W506 HydrophobicContact CE1-CB 4.08Å; F497-W506 AromaticContact CE1-CD1 3.29Å; F497-W506 AromaticContact CE1-CD2 3.85Å; F497-W506 HydrophobicContact CE1-CD2 3.85Å; F497-W506 AromaticContact CE1-CE2 3.91Å; F497-W506 AromaticContact CE1-CG 3.48Å; F497-W506 HydrophobicContact CE1-CG 3.48Å; F497-W506 VanDerWaalsContact CE1-CG 3.48Å; F497-W506 AromaticContact CE1-NE1 3.5Å; F497-W506 HydrophobicContact CE2-CB 4.4Å; F497-W506 HydrophobicContact CZ-CB 3.77Å; F497-W506 AromaticContact CZ-CD1 3.91Å; F497-W506 HydrophobicContact CZ-CD2 4.09Å; F497-W506 AromaticContact CZ-CG 3.65Å; F497-W506 HydrophobicContact CZ-CG 3.65Å
498	S	92.2	Very high	91.6	Very high	81 Å²	81	55 Å²	55	57%	0.566	28%	0.279	S	S	*	.	S	Bend	trans	-57.5	-46.2	175.3	63	0	0	0	0	111.1	R482 E502	R482-S498 WeakPolarHBondContact CD-O 3.28Å; R482-S498 PolarHBondContact NH1-O 3.2Å; S498-E502 VanDerWaalsContact CB-OE2 3.28Å; S498-E502 WeakPolarHBondContact CB-OE2 3.31Å; S498-E502 PolarHBondContact N-OE2 2.73Å; S498-E502 PolarHBondContact OG-OE2 3.22Å
499	S	92.4	Very high	91.7	Very high	46 Å²	46	55.7 Å²	55.7	32%	0.322	28%	0.281	S	S	.	.	S	Bend	trans	-141.4	162.2	-171.9	60.8	0	0	0	0	111.4	F497 K501 E502 R503	F497-S499 VanDerWaalsContact C-N 3.29Å; F497-S499 PolarHBondContact O-N 2.85Å; S499-K501 VanDerWaalsContact C-N 3.3Å; S499-K501 PolarHBondContact O-N 2.98Å; S499-E502 PolarHBondContact O-N 2.58Å; S499-E502 PolarHBondContact OG-N 3.4Å; S499-R503 PolarHBondContact O-N 2.94Å; S499-R503 VanDerWaalsContact O-N 3.17Å
500	E	91.6	Very high	92.2	Very high	74 Å²	74	44.7 Å²	44.7	35%	0.346	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-36.6	173	-162	-150.8	152.3	0	0	111.7	I481 E502 R503 N504	I481-E500 HydrophobicContact CG1-CG 4.04Å; E500-E502 VanDerWaalsContact C-N 3.25Å; E500-E502 PolarHBondContact O-N 2.96Å; E500-R503 CarbonylContact O-C 3.49Å; E500-R503 WeakPolarHBondContact O-CA 3.36Å; E500-R503 WeakPolarHBondContact O-CB 3.44Å; E500-R503 PolarHBondContact O-N 3.03Å; E500-R503 IonicContact OE1-CZ 3.16Å; E500-R503 IonicContact OE1-NH1 2.66Å; E500-R503 IonicContact OE1-NH2 3.94Å; E500-R503 PolarHBondContact OE1-NH2 3.32Å; E500-N504 PolarHBondContact O-N 3.49Å; E500-N504 PolarHBondContact O-ND2 3.18Å; E500-N504 PolarHBondContact OE1-ND2 2.96Å
501	K	91.8	Very high	92.5	Very high	152 Å²	152	44.4 Å²	44.4	66%	0.661	24%	0.238	S	C	*	.	H	α-helix	trans	-56.1	-40.9	175.4	-173.8	175.9	-179	177.6	0	111.8	S499 Q505	S499-K501 VanDerWaalsContact C-N 3.3Å; S499-K501 PolarHBondContact O-N 2.98Å; K501-Q505 WeakPolarHBondContact O-CG 3.27Å; K501-Q505 PolarHBondContact O-N 3.37Å; K501-Q505 VanDerWaalsContact O-N 3.15Å
502	E	93.1	Very high	92.7	Very high	26 Å²	26	47.1 Å²	47.1	12%	0.121	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-47.4	172.5	-178.6	-179	-165.9	0	0	111.5	S424 F497 S498 S499 E500 N504 Q505 W506	S424-E502 WeakPolarHBondContact CB-OE1 3.37Å; S424-E502 PolarHBondContact OG-OE1 3.34Å; F497-E502 HydrophobicContact CB-CB 4.16Å; F497-E502 HydrophobicContact CB-CG 4.05Å; F497-E502 HydrophobicContact CD1-CG 3.68Å; F497-E502 HydrophobicContact CE1-CG 4.49Å; F497-E502 HydrophobicContact CG-CG 4.12Å; S498-E502 VanDerWaalsContact CB-OE2 3.28Å; S498-E502 WeakPolarHBondContact CB-OE2 3.31Å; S498-E502 PolarHBondContact N-OE2 2.73Å; S498-E502 PolarHBondContact OG-OE2 3.22Å; S499-E502 PolarHBondContact O-N 2.58Å; S499-E502 PolarHBondContact OG-N 3.4Å; E500-E502 VanDerWaalsContact C-N 3.25Å; E500-E502 PolarHBondContact O-N 2.96Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.03Å; E502-Q505 PolarHBondContact O-N 3.38Å; E502-W506 PolarHBondContact O-N 3.26Å
503	R	93.4	Very high	92.7	Very high	13 Å²	13	44 Å²	44	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-41.9	175.7	179.2	-92.6	-80.6	174.6	-7.8	112.3	I481 L484 F497 S499 E500 T507	I481-R503 VanDerWaalsContact CG1-NH2 3.28Å; I481-R503 PolarHBondContact O-NE 2.89Å; I481-R503 PolarHBondContact O-NH2 3.28Å; L484-R503 HydrophobicContact CB-CG 4.47Å; F497-R503 HydrophobicContact CB-CB 4.36Å; F497-R503 HydrophobicContact CD2-CB 3.66Å; F497-R503 HydrophobicContact CD2-CG 4.01Å; F497-R503 HydrophobicContact CE2-CB 4.33Å; F497-R503 HydrophobicContact CE2-CG 4.35Å; F497-R503 HydrophobicContact CG-CB 4.27Å; S499-R503 PolarHBondContact O-N 2.94Å; S499-R503 VanDerWaalsContact O-N 3.17Å; E500-R503 CarbonylContact O-C 3.49Å; E500-R503 WeakPolarHBondContact O-CA 3.36Å; E500-R503 WeakPolarHBondContact O-CB 3.44Å; E500-R503 PolarHBondContact O-N 3.03Å; E500-R503 IonicContact OE1-CZ 3.16Å; E500-R503 IonicContact OE1-NH1 2.66Å; E500-R503 IonicContact OE1-NH2 3.94Å; E500-R503 PolarHBondContact OE1-NH2 3.32Å; R503-T507 PolarHBondContact O-N 2.69Å; R503-T507 PolarHBondContact O-OG1 3.28Å
504	N	93.1	Very high	92.7	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-54.4	179.6	-73.9	-27	0	0	0	110.9	E500 E502 W506 T507 D508	E500-N504 PolarHBondContact O-N 3.49Å; E500-N504 PolarHBondContact O-ND2 3.18Å; E500-N504 PolarHBondContact OE1-ND2 2.96Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.03Å; N504-W506 VanDerWaalsContact C-N 3.29Å; N504-W506 PolarHBondContact O-N 3.33Å; N504-T507 WeakPolarHBondContact O-CA 3.39Å; N504-T507 WeakPolarHBondContact O-CB 3.25Å; N504-T507 PolarHBondContact O-N 2.81Å; N504-D508 PolarHBondContact O-N 2.96Å; N504-D508 VanDerWaalsContact O-OD2 3.11Å
505	Q	94.1	Very high	92.4	Very high	77 Å²	77	50 Å²	50	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-53	-43.4	175.7	-71.9	-178.7	1.5	0	0	113.2	K501 E502 T507 D508 D509	K501-Q505 WeakPolarHBondContact O-CG 3.27Å; K501-Q505 PolarHBondContact O-N 3.37Å; K501-Q505 VanDerWaalsContact O-N 3.15Å; E502-Q505 PolarHBondContact O-N 3.38Å; Q505-T507 VanDerWaalsContact C-N 3.34Å; Q505-T507 PolarHBondContact O-N 2.8Å; Q505-D508 PolarHBondContact O-N 3.1Å; Q505-D509 PolarHBondContact O-N 2.66Å
506	W	95.1	Very high	91.7	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-35.4	174.6	-89.4	95.2	0	0	0	113.3	R422 S424 L439 L441 L446 F497 E502 N504 L510	R422-W506 HydrophobicContact CB-CH2 4.2Å; R422-W506 HydrophobicContact CB-CZ2 4.18Å; R422-W506 HydrophobicContact CG-CD2 4.41Å; R422-W506 HydrophobicContact CG-CH2 4.18Å; R422-W506 HydrophobicContact CG-CZ2 3.65Å; S424-W506 WeakPolarHBondContact OG-CZ2 3.25Å; S424-W506 PolarHBondContact OG-NE1 2.88Å; L439-W506 HydrophobicContact CB-CH2 3.27Å; L439-W506 HydrophobicContact CB-CZ2 3.68Å; L439-W506 HydrophobicContact CB-CZ3 3.94Å; L439-W506 HydrophobicContact CD1-CD2 4.31Å; L439-W506 HydrophobicContact CD1-CE3 4.06Å; L439-W506 HydrophobicContact CD1-CH2 3.83Å; L439-W506 HydrophobicContact CD1-CZ2 4.04Å; L439-W506 HydrophobicContact CD1-CZ3 3.79Å; L439-W506 HydrophobicContact CG-CH2 4.2Å; L439-W506 HydrophobicContact CG-CZ2 4.45Å; L441-W506 HydrophobicContact CB-CH2 4.11Å; L441-W506 HydrophobicContact CB-CZ3 3.73Å; L441-W506 HydrophobicContact CD2-CZ3 4.33Å; L446-W506 HydrophobicContact CD1-CZ3 3.9Å; F497-W506 AromaticContact CD1-CD1 3.79Å; F497-W506 HydrophobicContact CD1-CG 4.35Å; F497-W506 HydrophobicContact CE1-CB 4.08Å; F497-W506 AromaticContact CE1-CD1 3.29Å; F497-W506 AromaticContact CE1-CD2 3.85Å; F497-W506 HydrophobicContact CE1-CD2 3.85Å; F497-W506 AromaticContact CE1-CE2 3.91Å; F497-W506 AromaticContact CE1-CG 3.48Å; F497-W506 HydrophobicContact CE1-CG 3.48Å; F497-W506 VanDerWaalsContact CE1-CG 3.48Å; F497-W506 AromaticContact CE1-NE1 3.5Å; F497-W506 HydrophobicContact CE2-CB 4.4Å; F497-W506 HydrophobicContact CZ-CB 3.77Å; F497-W506 AromaticContact CZ-CD1 3.91Å; F497-W506 HydrophobicContact CZ-CD2 4.09Å; F497-W506 AromaticContact CZ-CG 3.65Å; F497-W506 HydrophobicContact CZ-CG 3.65Å; E502-W506 PolarHBondContact O-N 3.26Å; N504-W506 VanDerWaalsContact C-N 3.29Å; N504-W506 PolarHBondContact O-N 3.33Å; W506-L510 VanDerWaalsContact O-CB 3.28Å; W506-L510 WeakPolarHBondContact O-CB 3.42Å; W506-L510 WeakPolarHBondContact O-CD1 3.4Å; W506-L510 WeakPolarHBondContact O-CG 3.47Å; W506-L510 PolarHBondContact O-N 3.2Å; W506-L510 VanDerWaalsContact O-N 3.16Å
507	T	92.9	Very high	91.1	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-43.1	175.1	-45.1	0	0	0	0	110.8	F472 R474 L484 R503 N504 Q505 L510 T511	F472-T507 HydrophobicContact CD2-CG2 3.94Å; F472-T507 HydrophobicContact CE2-CG2 3.59Å; R474-T507 HydrophobicContact CG-CG2 4.16Å; R474-T507 PolarHBondContact NE-OG1 2.97Å; L484-T507 HydrophobicContact CD1-CG2 4.42Å; R503-T507 PolarHBondContact O-N 2.69Å; R503-T507 PolarHBondContact O-OG1 3.28Å; N504-T507 WeakPolarHBondContact O-CA 3.39Å; N504-T507 WeakPolarHBondContact O-CB 3.25Å; N504-T507 PolarHBondContact O-N 2.81Å; Q505-T507 VanDerWaalsContact C-N 3.34Å; Q505-T507 PolarHBondContact O-N 2.8Å; T507-L510 PolarHBondContact O-N 3.3Å; T507-T511 WeakPolarHBondContact O-CB 3.03Å; T507-T511 PolarHBondContact O-N 3.47Å; T507-T511 PolarHBondContact O-OG1 2.93Å
508	D	93.8	Very high	90.5	Very high	84 Å²	84	61.5 Å²	61.5	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-43.6	-173.2	-53.1	-27.5	0	0	0	110.3	R474 N504 Q505 T511 K512	R474-D508 IonicContact NH2-OD1 2.85Å; R474-D508 PolarHBondContact NH2-OD1 3.04Å; N504-D508 PolarHBondContact O-N 2.96Å; N504-D508 VanDerWaalsContact O-OD2 3.11Å; Q505-D508 PolarHBondContact O-N 3.1Å; D508-T511 WeakPolarHBondContact O-CB 3.17Å; D508-T511 PolarHBondContact O-N 2.83Å; D508-K512 WeakPolarHBondContact O-CB 3.27Å; D508-K512 PolarHBondContact O-N 2.84Å
509	D	93.9	Very high	89.7	Confident	35 Å²	35	59 Å²	59	19%	0.187	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-41.4	173.1	-76.9	-25.6	0	0	0	112.8	I421 R422 L441 Q505 T511 K512 A513	I421-D509 HydrophobicContact CG2-CB 3.9Å; R422-D509 IonicContact CZ-OD2 2.68Å; R422-D509 IonicContact NE-OD2 3.85Å; R422-D509 PolarHBondContact NE-OD2 3.06Å; R422-D509 IonicContact NH2-OD2 2.97Å; R422-D509 PolarHBondContact NH2-OD2 3.05Å; L441-D509 HydrophobicContact CD2-CB 4.09Å; Q505-D509 PolarHBondContact O-N 2.66Å; D509-T511 VanDerWaalsContact C-N 3.32Å; D509-K512 PolarHBondContact O-N 3.47Å; D509-A513 VanDerWaalsContact O-CB 3.32Å; D509-A513 WeakPolarHBondContact O-CB 3.42Å; D509-A513 PolarHBondContact O-N 2.75Å
510	L	94.1	Very high	88.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-37.2	174.5	-78.3	172.9	0	0	0	112.2	L441 L467 M470 F472 L484 W506 T507 Q514	L441-L510 HydrophobicContact CD1-CD2 3.57Å; L441-L510 HydrophobicContact CD2-CD2 3.87Å; L441-L510 HydrophobicContact CD2-CG 4.15Å; L441-L510 HydrophobicContact CG-CD2 4.37Å; L467-L510 HydrophobicContact CD2-CD2 3.96Å; M470-L510 HydrophobicContact CE-CD1 3.84Å; M470-L510 HydrophobicContact CE-CD2 3.64Å; M470-L510 HydrophobicContact CE-CG 4.32Å; F472-L510 HydrophobicContact CD1-CB 4.14Å; F472-L510 HydrophobicContact CD1-CD1 4.31Å; F472-L510 HydrophobicContact CE1-CB 3.69Å; F472-L510 HydrophobicContact CE2-CB 4.47Å; F472-L510 HydrophobicContact CG-CD1 4.43Å; F472-L510 HydrophobicContact CZ-CB 3.88Å; L484-L510 HydrophobicContact CD2-CD1 3.82Å; W506-L510 VanDerWaalsContact O-CB 3.28Å; W506-L510 WeakPolarHBondContact O-CB 3.42Å; W506-L510 WeakPolarHBondContact O-CD1 3.4Å; W506-L510 WeakPolarHBondContact O-CG 3.47Å; W506-L510 PolarHBondContact O-N 3.2Å; W506-L510 VanDerWaalsContact O-N 3.16Å; T507-L510 PolarHBondContact O-N 3.3Å; L510-Q514 WeakPolarHBondContact O-CB 3.17Å; L510-Q514 WeakPolarHBondContact O-CG 3.37Å; L510-Q514 PolarHBondContact O-N 2.85Å
511	T	92.3	Very high	87.7	Confident	72 Å²	72	59 Å²	59	44%	0.442	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-47.9	177.1	-57.3	0	0	0	0	110.4	F472 T507 D508 D509 Q514 Y515	F472-T511 WeakPolarHBondContact CZ-OG1 3.12Å; T507-T511 WeakPolarHBondContact O-CB 3.03Å; T507-T511 PolarHBondContact O-N 3.47Å; T507-T511 PolarHBondContact O-OG1 2.93Å; D508-T511 WeakPolarHBondContact O-CB 3.17Å; D508-T511 PolarHBondContact O-N 2.83Å; D509-T511 VanDerWaalsContact C-N 3.32Å; T511-Q514 PolarHBondContact O-N 3.39Å; T511-Y515 WeakPolarHBondContact O-CB 3.3Å; T511-Y515 PolarHBondContact O-N 3.14Å
512	K	89.4	Confident	86.9	Confident	135 Å²	135	60.4 Å²	60.4	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-52.7	175.7	-175.8	-180	177.6	-176.7	0	111.8	D508 D509 Q514 Y515 D516	D508-K512 WeakPolarHBondContact O-CB 3.27Å; D508-K512 PolarHBondContact O-N 2.84Å; D509-K512 PolarHBondContact O-N 3.47Å; K512-Q514 VanDerWaalsContact C-N 3.28Å; K512-Q514 PolarHBondContact O-N 3.35Å; K512-Y515 WeakPolarHBondContact O-CB 3.4Å; K512-Y515 PolarHBondContact O-N 3.18Å; K512-D516 PolarHBondContact O-N 3.07Å
513	A	88.6	Confident	85.9	Confident	5 Å²	5	63.1 Å²	63.1	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-37.7	180	0	0	0	0	0	112.6	I421 L467 D509 R517	I421-A513 HydrophobicContact CD1-CB 3.7Å; L467-A513 HydrophobicContact CD1-CB 3.72Å; D509-A513 VanDerWaalsContact O-CB 3.32Å; D509-A513 WeakPolarHBondContact O-CB 3.42Å; D509-A513 PolarHBondContact O-N 2.75Å; A513-R517 WeakPolarHBondContact O-CB 3.4Å; A513-R517 PolarHBondContact O-N 3.43Å
514	Q	89.8	Confident	84.7	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-69.4	-38.1	172.4	-80	-155.2	-3.2	0	0	113.7	L467 M470 F472 L510 T511 K512 K518	L467-Q514 HydrophobicContact CB-CG 4.47Å; L467-Q514 PolarHBondContact O-NE2 3.45Å; M470-Q514 PolarHBondContact O-NE2 3.3Å; F472-Q514 HydrophobicContact CE1-CG 4.42Å; L510-Q514 WeakPolarHBondContact O-CB 3.17Å; L510-Q514 WeakPolarHBondContact O-CG 3.37Å; L510-Q514 PolarHBondContact O-N 2.85Å; T511-Q514 PolarHBondContact O-N 3.39Å; K512-Q514 VanDerWaalsContact C-N 3.28Å; K512-Q514 PolarHBondContact O-N 3.35Å; Q514-K518 WeakPolarHBondContact O-CB 3.46Å; Q514-K518 WeakPolarHBondContact O-CD 3.5Å; Q514-K518 WeakPolarHBondContact O-CG 3.41Å; Q514-K518 PolarHBondContact O-N 3Å
515	Y	86.3	Confident	83.7	Confident	147 Å²	147	66.4 Å²	66.4	58%	0.576	31%	0.307	S	S	*	.	H	α-helix	trans	-61.4	-52.4	176.3	178	-88.9	0	0	0	110.4	T511 K512 R517 K518 S519	T511-Y515 WeakPolarHBondContact O-CB 3.3Å; T511-Y515 PolarHBondContact O-N 3.14Å; K512-Y515 WeakPolarHBondContact O-CB 3.4Å; K512-Y515 PolarHBondContact O-N 3.18Å; Y515-R517 VanDerWaalsContact C-N 3.3Å; Y515-R517 PolarHBondContact O-N 3.49Å; Y515-K518 PolarHBondContact O-N 3.36Å; Y515-S519 WeakPolarHBondContact CE1-OG 3.5Å; Y515-S519 WeakPolarHBondContact O-CB 3.18Å; Y515-S519 PolarHBondContact O-N 3.4Å; Y515-S519 PolarHBondContact O-OG 2.88Å
516	D	80.3	Confident	82.9	Confident	87 Å²	87	65.4 Å²	65.4	47%	0.465	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-43.6	-179.1	-64.6	-25.1	0	0	0	111.3	K512 K518 S519 Y520	K512-D516 PolarHBondContact O-N 3.07Å; D516-K518 PolarHBondContact O-N 2.99Å; D516-S519 PolarHBondContact O-N 2.84Å; D516-Y520 PolarHBondContact O-N 3.47Å
517	R	80.3	Confident	81.8	Confident	85 Å²	85	65.3 Å²	65.3	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-37.3	176.8	-169.4	67.6	179.1	-163.6	0.9	113.1	A513 Y515	A513-R517 WeakPolarHBondContact O-CB 3.4Å; A513-R517 PolarHBondContact O-N 3.43Å; Y515-R517 VanDerWaalsContact C-N 3.3Å; Y515-R517 PolarHBondContact O-N 3.49Å
518	K	81.4	Confident	80.9	Confident	106 Å²	106	66.7 Å²	66.7	46%	0.461	31%	0.314	S	S	.	.	H	α-helix	trans	-73.9	-43.3	177.1	-72	164.4	-168.6	165.2	0	111.5	Q514 Y515 D516 Y520 K521 R522	Q514-K518 WeakPolarHBondContact O-CB 3.46Å; Q514-K518 WeakPolarHBondContact O-CD 3.5Å; Q514-K518 WeakPolarHBondContact O-CG 3.41Å; Q514-K518 PolarHBondContact O-N 3Å; Y515-K518 PolarHBondContact O-N 3.36Å; D516-K518 PolarHBondContact O-N 2.99Å; K518-Y520 VanDerWaalsContact C-N 3.29Å; K518-Y520 PolarHBondContact O-N 3.45Å; K518-K521 PolarHBondContact O-N 2.76Å; K518-K521 VanDerWaalsContact O-N 3.14Å; K518-R522 PolarHBondContact O-N 3.05Å
519	S	75.9	Confident	80.3	Confident	28 Å²	28	67.9 Å²	67.9	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-33.3	178.7	-66.1	0	0	0	0	112.4	Y515 D516 R523	Y515-S519 WeakPolarHBondContact CE1-OG 3.5Å; Y515-S519 WeakPolarHBondContact O-CB 3.18Å; Y515-S519 PolarHBondContact O-N 3.4Å; Y515-S519 PolarHBondContact O-OG 2.88Å; D516-S519 PolarHBondContact O-N 2.84Å; S519-R523 PolarHBondContact O-N 3.34Å
520	Y	71.4	Confident	79.4	Confident	38 Å²	38	69.8 Å²	69.8	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-51.5	168.1	175.1	-116.9	0	0	0	112.7	A338 D516 K518 R522 R523 Q524	A338-Y520 HydrophobicContact CB-CD2 4.48Å; A338-Y520 HydrophobicContact CB-CE2 3.59Å; D516-Y520 PolarHBondContact O-N 3.47Å; K518-Y520 VanDerWaalsContact C-N 3.29Å; K518-Y520 PolarHBondContact O-N 3.45Å; Y520-R522 VanDerWaalsContact C-N 3.29Å; Y520-R522 PolarHBondContact O-N 2.85Å; Y520-R523 PolarHBondContact O-N 3.28Å; Y520-Q524 PolarHBondContact O-N 2.99Å; Y520-Q524 VanDerWaalsContact O-N 3.17Å
521	K	71.5	Confident	78.4	Confident	83 Å²	83	71.6 Å²	71.6	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-32.7	178.8	-78.5	-158.2	171.4	-169.7	0	113.6	E468 K518 Q524 S525	E468-K521 IonicContact OE1-NZ 2.71Å; E468-K521 PolarHBondContact OE1-NZ 2.87Å; E468-K521 WeakPolarHBondContact OE2-CE 3.14Å; E468-K521 IonicContact OE2-NZ 2.72Å; E468-K521 PolarHBondContact OE2-NZ 2.68Å; K518-K521 PolarHBondContact O-N 2.76Å; K518-K521 VanDerWaalsContact O-N 3.14Å; K521-Q524 PolarHBondContact O-N 3.38Å; K521-S525 PolarHBondContact O-N 2.87Å
522	R	75	Confident	77.7	Confident	181 Å²	181	71.5 Å²	71.5	68%	0.683	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-52.4	175	-75.5	-179.3	173	-176.9	-3.5	111.9	K518 Y520 Q524 S525 T526	K518-R522 PolarHBondContact O-N 3.05Å; Y520-R522 VanDerWaalsContact C-N 3.29Å; Y520-R522 PolarHBondContact O-N 2.85Å; R522-Q524 VanDerWaalsContact C-N 3.3Å; R522-Q524 PolarHBondContact O-N 2.75Å; R522-S525 PolarHBondContact O-N 3.07Å; R522-T526 PolarHBondContact O-N 3.18Å; R522-T526 PolarHBondContact O-OG1 3.41Å
523	R	70.7	Confident	77.2	Confident	83 Å²	83	70 Å²	70	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-55.6	-46.2	176.1	-73.5	-171.5	-75.2	-174.3	-0.9	111.7	S519 Y520 S525 T526 A527	S519-R523 PolarHBondContact O-N 3.34Å; Y520-R523 PolarHBondContact O-N 3.28Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 3.11Å; R523-T526 PolarHBondContact O-N 3.1Å; R523-A527 PolarHBondContact O-N 2.99Å
524	Q	67.8	Low	76.3	Confident	57 Å²	57	72.7 Å²	72.7	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-54.6	-42.8	173.9	153.2	164.1	98.5	0	0	113.1	Y324 Y520 K521 R522 V528	Y324-Q524 HydrophobicContact CD2-CB 4.32Å; Y324-Q524 HydrophobicContact CE2-CB 3.68Å; Y324-Q524 HydrophobicContact CE2-CG 3.64Å; Y520-Q524 PolarHBondContact O-N 2.99Å; Y520-Q524 VanDerWaalsContact O-N 3.17Å; K521-Q524 PolarHBondContact O-N 3.38Å; R522-Q524 VanDerWaalsContact C-N 3.3Å; R522-Q524 PolarHBondContact O-N 2.75Å; Q524-V528 WeakPolarHBondContact O-CG2 3.4Å; Q524-V528 PolarHBondContact O-N 3.22Å
525	S	73.6	Confident	75.5	Confident	63 Å²	63	77.1 Å²	77.1	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-69	-40.8	178.5	-166.8	0	0	0	0	112.7	K521 R522 R523 Q529	K521-S525 PolarHBondContact O-N 2.87Å; R522-S525 PolarHBondContact O-N 3.07Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 3.11Å; S525-Q529 WeakPolarHBondContact O-CG 3.49Å; S525-Q529 PolarHBondContact O-N 3.24Å
526	T	77.3	Confident	75.1	Confident	56 Å²	56	77 Å²	77	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-69.6	-36.3	-178.6	-54	0	0	0	0	112.1	R522 R523 Q529 R530	R522-T526 PolarHBondContact O-N 3.18Å; R522-T526 PolarHBondContact O-OG1 3.41Å; R523-T526 PolarHBondContact O-N 3.1Å; T526-Q529 PolarHBondContact O-N 3.3Å; T526-R530 WeakPolarHBondContact O-CG 3.47Å; T526-R530 PolarHBondContact O-N 3.33Å; T526-R530 VanDerWaalsContact O-N 3.12Å
527	A	70.9	Confident	74.7	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66.1	-38.4	177.4	0	0	0	0	0	112.8	Y324 R523 Q529 R530 H531	Y324-A527 HydrophobicContact CD1-CB 3.4Å; Y324-A527 VanDerWaalsContact CD1-CB 3.4Å; Y324-A527 HydrophobicContact CD2-CB 4.03Å; Y324-A527 HydrophobicContact CE1-CB 4.16Å; Y324-A527 HydrophobicContact CG-CB 3.33Å; R523-A527 PolarHBondContact O-N 2.99Å; A527-Q529 PolarHBondContact O-N 2.99Å; A527-R530 PolarHBondContact O-N 3.49Å; A527-H531 PolarHBondContact O-N 3.34Å
528	V	75.3	Confident	73.8	Confident	37 Å²	37	79.8 Å²	79.8	22%	0.224	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-48.5	171.1	177	0	0	0	0	111	Y324 Q524 R530 H531 D532	Y324-V528 HydrophobicContact CE1-CB 4.45Å; Y324-V528 HydrophobicContact CE1-CG2 3.45Å; Y324-V528 VanDerWaalsContact CE1-CG2 3.45Å; Y324-V528 WeakPolarHBondContact OH-CG2 3.46Å; Q524-V528 WeakPolarHBondContact O-CG2 3.4Å; Q524-V528 PolarHBondContact O-N 3.22Å; V528-R530 PolarHBondContact O-N 2.72Å; V528-H531 PolarHBondContact O-N 3.01Å; V528-D532 PolarHBondContact O-N 2.83Å
529	Q	79.6	Confident	73.1	Confident	109 Å²	109	78.6 Å²	78.6	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-44.8	-176	-71.3	170.9	-42.6	0	0	111.5	S525 T526 A527 D532 E533	S525-Q529 WeakPolarHBondContact O-CG 3.49Å; S525-Q529 PolarHBondContact O-N 3.24Å; T526-Q529 PolarHBondContact O-N 3.3Å; A527-Q529 PolarHBondContact O-N 2.99Å; Q529-D532 PolarHBondContact O-N 2.93Å; Q529-E533 WeakPolarHBondContact O-CB 3.18Å; Q529-E533 WeakPolarHBondContact O-CG 3.35Å; Q529-E533 PolarHBondContact O-N 3.4Å
530	R	75.1	Confident	72.6	Confident	75 Å²	75	84 Å²	84	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-46	175.5	-65	178.3	-169.1	146.4	4.4	112.3	E321 T526 A527 V528 D532 E533 N534	E321-R530 WeakPolarHBondContact OE2-CB 3.4Å; T526-R530 WeakPolarHBondContact O-CG 3.47Å; T526-R530 PolarHBondContact O-N 3.33Å; T526-R530 VanDerWaalsContact O-N 3.12Å; A527-R530 PolarHBondContact O-N 3.49Å; V528-R530 PolarHBondContact O-N 2.72Å; R530-D532 VanDerWaalsContact C-N 3.33Å; R530-D532 PolarHBondContact O-N 3.26Å; R530-E533 WeakPolarHBondContact O-CB 3.42Å; R530-E533 PolarHBondContact O-N 2.78Å; R530-N534 WeakPolarHBondContact O-CB 3.42Å; R530-N534 PolarHBondContact O-N 2.67Å; R530-N534 PolarHBondContact O-ND2 2.89Å
531	H	73.1	Confident	71.8	Confident	39 Å²	39	88.3 Å²	88.3	18%	0.181	41%	0.414	C	S	.	.	H	α-helix	trans	-58.7	-44.9	176.9	170.7	-89.2	0	0	0	111.8	E321 M325 A527 V528 E533 N534 K535	E321-H531 HydrophobicContact CG-CB 4.3Å; E321-H531 WeakPolarHBondContact OE1-CA 3.23Å; M325-H531 HydrophobicContact SD-CB 3.98Å; A527-H531 PolarHBondContact O-N 3.34Å; V528-H531 PolarHBondContact O-N 3.01Å; H531-E533 PolarHBondContact O-N 3.23Å; H531-N534 PolarHBondContact O-N 3.05Å; H531-K535 VanDerWaalsContact O-CB 3.27Å; H531-K535 WeakPolarHBondContact O-CB 3.36Å; H531-K535 PolarHBondContact O-N 2.89Å
532	D	78.2	Confident	70.9	Confident	70 Å²	70	89.8 Å²	89.8	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-69.8	-32.2	179.5	-72.7	-12.3	0	0	0	112.3	V528 Q529 R530 K536	V528-D532 PolarHBondContact O-N 2.83Å; Q529-D532 PolarHBondContact O-N 2.93Å; R530-D532 VanDerWaalsContact C-N 3.33Å; R530-D532 PolarHBondContact O-N 3.26Å; D532-K536 WeakPolarHBondContact O-CB 3.34Å; D532-K536 VanDerWaalsContact O-CD 3.31Å; D532-K536 WeakPolarHBondContact O-CD 3.44Å; D532-K536 WeakPolarHBondContact O-CG 3.27Å; D532-K536 PolarHBondContact O-N 3.42Å
533	E	78.3	Confident	69.7	Low	103 Å²	103	89 Å²	89	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-66.4	-44.4	168.3	-76.6	174.4	-156.3	0	0	112.5	Q529 R530 H531 K536 K537	Q529-E533 WeakPolarHBondContact O-CB 3.18Å; Q529-E533 WeakPolarHBondContact O-CG 3.35Å; Q529-E533 PolarHBondContact O-N 3.4Å; R530-E533 WeakPolarHBondContact O-CB 3.42Å; R530-E533 PolarHBondContact O-N 2.78Å; H531-E533 PolarHBondContact O-N 3.23Å; E533-K536 CarbonylContact O-C 3.59Å; E533-K536 WeakPolarHBondContact O-CB 3.34Å; E533-K536 PolarHBondContact O-N 2.92Å; E533-K537 VanDerWaalsContact O-CG 3.29Å; E533-K537 WeakPolarHBondContact O-CG 3.47Å; E533-K537 PolarHBondContact O-N 2.82Å
534	N	70.8	Confident	68.6	Low	62 Å²	62	90.6 Å²	90.6	33%	0.332	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-40.9	-180	-69	-20.3	0	0	0	110.9	E321 R530 H531 K537 M538	E321-N534 PolarHBondContact OE1-ND2 2.93Å; E321-N534 PolarHBondContact OE2-ND2 3.01Å; R530-N534 WeakPolarHBondContact O-CB 3.42Å; R530-N534 PolarHBondContact O-N 2.67Å; R530-N534 PolarHBondContact O-ND2 2.89Å; H531-N534 PolarHBondContact O-N 3.05Å; N534-K537 PolarHBondContact O-N 3.18Å; N534-K537 PolarHBondContact OD1-NZ 3.16Å; N534-M538 WeakPolarHBondContact O-CB 3.48Å; N534-M538 PolarHBondContact O-N 3.03Å
535	K	72.5	Confident	67	Low	110 Å²	110	92.8 Å²	92.8	48%	0.478	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-41.2	170.3	-173.9	174.4	179.5	178.8	0	111.9	H531 N539	H531-K535 VanDerWaalsContact O-CB 3.27Å; H531-K535 WeakPolarHBondContact O-CB 3.36Å; H531-K535 PolarHBondContact O-N 2.89Å; K535-N539 WeakPolarHBondContact O-CB 3.42Å; K535-N539 VanDerWaalsContact O-CG 3.27Å; K535-N539 PolarHBondContact O-N 3.22Å; K535-N539 PolarHBondContact O-OD1 3.34Å
536	K	77.3	Confident	65.4	Low	145 Å²	145	95.1 Å²	95.1	63%	0.63	48%	0.476	S	S	*	.	H	α-helix	trans	-64.5	-41.3	172.9	-75	163.7	-171.7	170.8	0	112.4	D532 E533 K540	D532-K536 WeakPolarHBondContact O-CB 3.34Å; D532-K536 VanDerWaalsContact O-CD 3.31Å; D532-K536 WeakPolarHBondContact O-CD 3.44Å; D532-K536 WeakPolarHBondContact O-CG 3.27Å; D532-K536 PolarHBondContact O-N 3.42Å; E533-K536 CarbonylContact O-C 3.59Å; E533-K536 WeakPolarHBondContact O-CB 3.34Å; E533-K536 PolarHBondContact O-N 2.92Å; K536-K540 VanDerWaalsContact O-CB 3.24Å; K536-K540 WeakPolarHBondContact O-CB 3.41Å; K536-K540 PolarHBondContact O-N 3.41Å
537	K	73.7	Confident	63.2	Low	120 Å²	120	101.5 Å²	101.5	52%	0.522	50%	0.502	S	S	.	.	H	α-helix	trans	-62.2	-46.9	175.1	-69.1	164.7	-159.8	158	0	111.1	E533 N534 K540 L541	E533-K537 VanDerWaalsContact O-CG 3.29Å; E533-K537 WeakPolarHBondContact O-CG 3.47Å; E533-K537 PolarHBondContact O-N 2.82Å; N534-K537 PolarHBondContact O-N 3.18Å; N534-K537 PolarHBondContact OD1-NZ 3.16Å; K537-K540 PolarHBondContact O-N 2.97Å; K537-L541 WeakPolarHBondContact O-CB 3.41Å; K537-L541 PolarHBondContact O-N 3.16Å
538	M	61.2	Low	61.4	Low	111 Å²	111	108 Å²	108	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-45.8	178.2	-171.9	178.1	70.8	0	0	111.9	N534 K540 L541 L542	N534-M538 WeakPolarHBondContact O-CB 3.48Å; N534-M538 PolarHBondContact O-N 3.03Å; M538-K540 VanDerWaalsContact C-N 3.31Å; M538-K540 PolarHBondContact O-N 2.69Å; M538-L541 PolarHBondContact O-N 3.07Å; M538-L542 HydrophobicContact CG-CD1 4.47Å; M538-L542 PolarHBondContact O-N 2.98Å
539	N	65.3	Low	59.5	Low	81 Å²	81	111.7 Å²	111.7	43%	0.433	57%	0.566	S	S	.	*	H	α-helix	trans	-62.7	-37.5	173.9	-74	15.5	0	0	0	112	K535 L542 M543	K535-N539 WeakPolarHBondContact O-CB 3.42Å; K535-N539 VanDerWaalsContact O-CG 3.27Å; K535-N539 PolarHBondContact O-N 3.22Å; K535-N539 PolarHBondContact O-OD1 3.34Å; N539-L542 PolarHBondContact O-N 3.24Å; N539-M543 WeakPolarHBondContact O-CB 3.15Å; N539-M543 WeakPolarHBondContact O-CG 3.27Å; N539-M543 PolarHBondContact O-N 3.42Å
540	K	65.8	Low	57.1	Low	140 Å²	140	113.9 Å²	113.9	61%	0.609	58%	0.581	S	S	*	*	H	α-helix	trans	-67.8	-35.4	175.3	-173.6	175.6	179.8	-179.2	0	112	K536 K537 M538 M543 L544	K536-K540 VanDerWaalsContact O-CB 3.24Å; K536-K540 WeakPolarHBondContact O-CB 3.41Å; K536-K540 PolarHBondContact O-N 3.41Å; K537-K540 PolarHBondContact O-N 2.97Å; M538-K540 VanDerWaalsContact C-N 3.31Å; M538-K540 PolarHBondContact O-N 2.69Å; K540-M543 CarbonylContact O-C 3.6Å; K540-M543 PolarHBondContact O-N 3.01Å; K540-L544 HydrophobicContact CG-CD1 3.93Å; K540-L544 HydrophobicContact CG-CG 4.47Å; K540-L544 WeakPolarHBondContact O-CB 3.48Å; K540-L544 WeakPolarHBondContact O-CD1 3.37Å; K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 3.27Å; K540-L544 VanDerWaalsContact O-N 3.14Å
541	L	56	Low	55.3	Low	129 Å²	129	115 Å²	115	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-67.9	-40.8	175.4	-169.6	66.3	0	0	0	111.5	K537 M538 M543 L544	K537-L541 WeakPolarHBondContact O-CB 3.41Å; K537-L541 PolarHBondContact O-N 3.16Å; M538-L541 PolarHBondContact O-N 3.07Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 2.91Å; L541-L544 PolarHBondContact O-N 2.84Å; L541-L544 VanDerWaalsContact O-N 3.17Å
542	L	52.1	Low	53.5	Low	114 Å²	114	117.2 Å²	117.2	60%	0.597	63%	0.627	S	S	*	*	H	α-helix	trans	-64.4	-34	171.7	-73.8	162.5	0	0	0	112.7	M538 N539 L544 T545	M538-L542 HydrophobicContact CG-CD1 4.47Å; M538-L542 PolarHBondContact O-N 2.98Å; N539-L542 PolarHBondContact O-N 3.24Å; L542-L544 PolarHBondContact O-N 3.15Å; L542-T545 PolarHBondContact O-OG1 3.03Å
543	M	49.3	Very low	51.1	Low	165 Å²	165	120.9 Å²	120.9	81%	0.813	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	8	174.6	-67.5	-77.4	169.4	0	0	113.6	N539 K540 L541	N539-M543 WeakPolarHBondContact O-CB 3.15Å; N539-M543 WeakPolarHBondContact O-CG 3.27Å; N539-M543 PolarHBondContact O-N 3.42Å; K540-M543 CarbonylContact O-C 3.6Å; K540-M543 PolarHBondContact O-N 3.01Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 2.91Å
544	L	47.3	Very low	48.8	Very low	116 Å²	116	122.7 Å²	122.7	61%	0.607	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	11.7	176.9	-78.4	173.3	0	0	0	112.8	K540 L541 L542 P546	K540-L544 HydrophobicContact CG-CD1 3.93Å; K540-L544 HydrophobicContact CG-CG 4.47Å; K540-L544 WeakPolarHBondContact O-CB 3.48Å; K540-L544 WeakPolarHBondContact O-CD1 3.37Å; K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 3.27Å; K540-L544 VanDerWaalsContact O-N 3.14Å; L541-L544 PolarHBondContact O-N 2.84Å; L541-L544 VanDerWaalsContact O-N 3.17Å; L542-L544 PolarHBondContact O-N 3.15Å; L544-P546 WeakPolarHBondContact O-CD 3.33Å
545	T	35.5	Very low	46.7	Very low	103 Å²	103	128.6 Å²	128.6	63%	0.632	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-67.8	119.8	161.3	51.6	0	0	0	0	108.8	L542	L542-T545 PolarHBondContact O-OG1 3.03Å
546	P	38.8	Very low	44.9	Very low	113 Å²	113	133 Å²	133	73%	0.734	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-61	148.6	169.3	-18.2	32.4	0	0	0	109.9	L544 V548	L544-P546 WeakPolarHBondContact O-CD 3.33Å; P546-V548 PolarHBondContact O-N 3.4Å
547	E	31.8	Very low	42.7	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.883	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.5	134.3	169	-64.3	-176.4	142.2	0	0	109.2	P549	E547-P549 VanDerWaalsContact O-CD 3.26Å; E547-P549 WeakPolarHBondContact O-CD 3.23Å
548	V	33	Very low	40.5	Very low	137 Å²	137	132.5 Å²	132.5	83%	0.83	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-71.7	118.5	-177.1	176.3	0	0	0	0	108.8	P546	P546-V548 PolarHBondContact O-N 3.4Å
549	P	34.4	Very low	38.9	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-65.6	151.4	170.6	-17.3	32.9	0	0	0	110.5	E547	E547-P549 VanDerWaalsContact O-CD 3.26Å; E547-P549 WeakPolarHBondContact O-CD 3.23Å
550	D	29.5	Very low	37	Very low	155 Å²	155	137 Å²	137	83%	0.829	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-61	149.6	-166.6	-152.1	-10.2	0	0	0	114.1	S552	D550-S552 VanDerWaalsContact C-N 3.32Å; D550-S552 PolarHBondContact O-N 2.92Å
551	A	36.4	Very low	35	Very low	99 Å²	99	136.6 Å²	136.6	82%	0.818	74%	0.738	S	S	*	*	S	Bend	trans	-88.8	56.4	-165.1	0	0	0	0	0	113.5
552	S	35.5	Very low	33.8	Very low	86 Å²	86	135 Å²	135	60%	0.601	74%	0.738	S	S	*	*			trans	-147.5	98.1	171.6	61.6	0	0	0	0	112.8	D550	D550-S552 VanDerWaalsContact C-N 3.32Å; D550-S552 PolarHBondContact O-N 2.92Å
553	D	29	Very low	32.5	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	75%	0.753	S	S	*	*				-179	134.4	113.9	-92.6	-23.2	0	0	0	114.7
554	L	29.7	Very low	31.5	Very low	141 Å²	141	138.8 Å²	138.8	74%	0.738	75%	0.752	S	S	*	*			trans	51.9	122.6	142.7	-61.8	171.9	0	0	0	123.9
555	E	27.7	Very low	30.4	Very low	187 Å²	187	144.8 Å²	144.8	87%	0.874	77%	0.767	S	S	*	*			trans	91.2	158.1	133.8	-74.8	-172.4	-177.5	0	0	123.4
556	R	33.6	Very low	30	Very low	203 Å²	203	145 Å²	145	77%	0.766	77%	0.773	S	S	*	*			trans	-147.4	122.4	-165.7	175.2	-141.3	-73.7	-154.9	-4.3	111.9
557	P	32	Very low	29.2	Very low	117 Å²	117	148 Å²	148	76%	0.76	78%	0.779	S	S	*	*			trans	-102.2	148.5	139.5	-12.6	32.6	0	0	0	110.6
558	Q	27.1	Very low	28.9	Very low	137 Å²	137	143.9 Å²	143.9	64%	0.64	77%	0.771	S	S	*	*			cis	63.2	127.4	36.6	-50.3	-86.5	16.6	0	0	111.2
559	L	27.1	Very low	28.3	Very low	136 Å²	136	143.6 Å²	143.6	71%	0.712	77%	0.774	S	S	*	*			cis	-168.1	177.1	-4.6	-131.3	178.6	0	0	0	107.6
560	I	26.1	Very low	27.7	Very low	149 Å²	149	146.7 Å²	146.7	76%	0.764	78%	0.779	S	S	*	*			trans	71.5	148.6	163.3	-61.9	149.7	0	0	0	114.5
561	D	23.8	Very low	27.5	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	77%	0.774	S	S	*	*			cis	-125.7	163.5	3.6	-158.7	5	0	0	0	113.4
562	S	29.8	Very low	26.8	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	77%	0.772	S	S	*	*			trans	-93.1	153.5	170.6	65.7	0	0	0	0	112.6
563	R	25.7	Very low	26.3	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	78%	0.781	S	S	*	*			trans	-154	132.3	146.1	-114.3	164.3	-157.8	-147.1	1.2	111.8
564	S	27.7	Very low	26.1	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	78%	0.78	S	S	*	*			trans	-101.7	153.2	-169.5	51.5	0	0	0	0	112.5
565	R	24.7	Very low	25.9	Very low	242 Å²	242	150.3 Å²	150.3	91%	0.913	78%	0.775	S	S	*	*			trans	-153.6	100.5	140	-147	173.5	-168.6	-179.7	2.8	112.4
566	S	26.6	Very low	25.8	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	78%	0.775	S	S	*	*			trans	-84.4	146	158.7	50.1	0	0	0	0	110
567	M	22.9	Very low	25.4	Very low	175 Å²	175	142 Å²	142	86%	0.862	77%	0.769	S	S	*	*			trans	-153.1	126.9	148.6	-88.7	-124.9	67.7	0	0	108.5
568	S	24.6	Very low	25.1	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	77%	0.774	S	S	*	*			trans	-101.5	161.2	173	45.4	0	0	0	0	110.5
569	C	20.4	Very low	25	Very low	131 Å²	131	142 Å²	142	89%	0.885	78%	0.777	S	S	*	*			trans	-150.9	138	162.9	-168.5	0	0	0	0	107.8
570	E	22.4	Very low	24.9	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	78%	0.784	S	S	*	*			trans	-115.1	142.1	-174.5	-58.7	165.1	112.1	0	0	110.1
571	S	24.2	Very low	25	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	78%	0.782	S	S	*	*			trans	-174.3	118.9	139.3	55.8	0	0	0	0	112.7
572	Q	23.2	Very low	25.2	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	79%	0.786	S	S	*	*				48.7	120.3	126.9	-67	171.7	-18.8	0	0	118.7
573	D	23.7	Very low	25.1	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	80%	0.797	S	S	*	*				64.6	132.1	86.7	-56.4	-45.5	0	0	0	111.8
574	E	25.4	Very low	25.1	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	79%	0.79	S	S	*	*			cis	-160.7	-179.7	34.1	-98.9	-138.1	143.5	0	0	108.7
575	L	25.6	Very low	25.3	Very low	118 Å²	118	141 Å²	141	62%	0.618	79%	0.791	S	S	*	*			cis	-170.9	148.6	-26	-179.3	80.6	0	0	0	106.4
576	S	24.7	Very low	25.4	Very low	125 Å²	125	132.4 Å²	132.4	87%	0.874	78%	0.778	S	S	*	*			trans	-162	84.3	154.9	-168.2	0	0	0	0	111.9
577	S	26.2	Very low	25.4	Very low	91 Å²	91	137 Å²	137	64%	0.636	79%	0.788	S	S	*	*			trans	-154.6	131.5	174.5	52.5	0	0	0	0	112.1
578	V	25.3	Very low	25.5	Very low	144 Å²	144	136.3 Å²	136.3	87%	0.873	79%	0.786	S	S	*	*			trans	-156.3	149.7	171.8	-124.9	0	0	0	0	108.5
579	P	25.9	Very low	25.5	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	79%	0.788	S	S	*	*				-123.8	168.9	-76	38.6	-28.8	0	0	0	112.6
580	V	25.1	Very low	26	Very low	141 Å²	141	140.3 Å²	140.3	86%	0.855	79%	0.785	S	S	*	*			trans	-114.7	120.3	162.8	-179.6	0	0	0	0	108.1
581	T	27.8	Very low	26.2	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.3	131.6	177.4	46.6	0	0	0	0	111.1
582	P	27.1	Very low	26.3	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.9	147.8	169.4	-16.2	30.3	0	0	0	111.1
583	L	27.4	Very low	26.3	Very low	168 Å²	168	135.9 Å²	135.9	88%	0.88	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.7	128.1	158.1	-87.4	168.7	0	0	0	108.3
584	D	26.8	Very low	27	Very low	148 Å²	148	140 Å²	140	79%	0.791	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.8	148.1	-179.8	-168.5	11.5	0	0	0	111.4
585	N	31.3	Very low	26.9	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	80%	0.797	S	S	*	*			trans	-112.2	75.3	175.6	-77.9	-55.8	0	0	0	109.1
586	G	26.5	Very low	27	Very low	62 Å²	62	139.1 Å²	139.1	64%	0.639	81%	0.81	S	S	*	*			trans	-62	143.3	168.8	0	0	0	0	0	111.7
587	E	26	Very low	27	Very low	203 Å²	203	138.6 Å²	138.6	95%	0.949	80%	0.801	S	S	*	*			trans	-71	153.5	-177.5	-63.8	172.8	128.6	0	0	112
588	I	26.8	Very low	27	Very low	161 Å²	161	140.8 Å²	140.8	83%	0.826	81%	0.811	S	S	*	*			trans	-103.6	112.9	173.9	-57	173.7	0	0	0	107.3
589	D	23.7	Very low	27.7	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	81%	0.811	S	S	*	*			trans	-87.4	141.8	165.7	-169.1	14.2	0	0	0	109.9
590	E	30.8	Very low	27.7	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	82%	0.819	S	S	*	*			trans	-92.8	110.8	-178	-70.5	-166.4	129.9	0	0	110.7
591	T	27.1	Very low	27.9	Very low	116 Å²	116	144.5 Å²	144.5	71%	0.712	82%	0.816	S	S	*	*			trans	-156.5	146.6	158.8	-4.4	0	0	0	0	115.7
592	L	26.7	Very low	28.5	Very low	169 Å²	169	145.3 Å²	145.3	89%	0.885	83%	0.827	S	S	*	*			trans	71.1	119.1	164.3	-57.3	175.5	0	0	0	117.9
593	G	23.5	Very low	28.7	Very low	73 Å²	73	142.8 Å²	142.8	75%	0.753	82%	0.823	S	S	*	*			trans	-96.6	-154.3	170.9	0	0	0	0	0	113.7	G595	G593-G595 PolarHBondContact O-N 3.09Å
594	F	36.5	Very low	28.9	Very low	231 Å²	231	144.8 Å²	144.8	100%	1.013	83%	0.825	S	S	*	*			trans	-49.3	129.4	-170.3	-72.5	-98.3	0	0	0	115.8
595	G	24.4	Very low	29	Very low	78 Å²	78	147.3 Å²	147.3	80%	0.804	83%	0.828	S	S	*	*			trans	-131.8	128.2	160.2	0	0	0	0	0	110.1	G593	G593-G595 PolarHBondContact O-N 3.09Å
596	E	28.1	Very low	29	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	83%	0.825	S	S	*	*			trans	-90.4	175.9	176.2	-166	-174.7	164.3	0	0	110.7
597	V	24.8	Very low	29.6	Very low	113 Å²	113	148 Å²	148	69%	0.685	83%	0.83	S	S	*	*			trans	116.1	135.5	147.9	-176.3	0	0	0	0	117.6
598	T	25.6	Very low	30.4	Very low	138 Å²	138	144 Å²	144	85%	0.847	83%	0.825	S	S	*	*			trans	79	133	164	35.4	0	0	0	0	122.3
599	R	39.1	Very low	31.2	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	82%	0.823	S	S	*	*			trans	-83.8	139	162.9	-64.9	164	157.1	169.1	-9	110.2
600	N	27.2	Very low	32.8	Very low	166 Å²	166	143.4 Å²	143.4	89%	0.888	82%	0.815	S	S	*	*				168.3	146.3	115.9	-86.6	-20.8	0	0	0	110.9
601	G	27.6	Very low	34.2	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	81%	0.811	S	S	*	*			trans	141.7	103.2	175.6	0	0	0	0	0	113.1	G603	G601-G603 PolarHBondContact O-N 3.24Å
602	S	42.1	Very low	35.7	Very low	136 Å²	136	143 Å²	143	95%	0.951	81%	0.806	S	S	*	*			trans	-82.3	96.1	-179.2	54.6	0	0	0	0	112.1
603	G	29.7	Very low	38.1	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	77%	0.772	S	S	*	*			trans	-121	128.8	171.2	0	0	0	0	0	111.6	G601 K605	G601-G603 PolarHBondContact O-N 3.24Å; G603-K605 PolarHBondContact O-N 3.3Å
604	K	32.1	Very low	40.7	Very low	211 Å²	211	139 Å²	139	92%	0.917	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73	123.5	179.5	-65.5	173.5	-177.6	172	0	109.9
605	K	29.1	Very low	43	Very low	200 Å²	200	133 Å²	133	87%	0.87	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-61.7	135.2	165.1	-72.7	-172.8	175.9	-176	0	109.2	G603	G603-K605 PolarHBondContact O-N 3.3Å
606	P	31.1	Very low	45.8	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-65	155.9	170.2	29	-34.3	0	0	0	110.4
607	P	39.7	Very low	48.3	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-63.9	143.5	174.5	29.1	-34.9	0	0	0	110.4	E609	P607-E609 PolarHBondContact O-N 3.18Å
608	S	43.6	Very low	51	Low	121 Å²	121	124.1 Å²	124.1	85%	0.846	69%	0.685	S	S	*	*			trans	-64.9	106.8	176.5	55.8	0	0	0	0	110.6
609	E	43	Very low	53.5	Low	168 Å²	168	123.4 Å²	123.4	79%	0.785	68%	0.676	S	S	*	*			trans	-67.4	157.8	-178.5	-64.8	-162.2	123.3	0	0	112.9	P607 I611	P607-E609 PolarHBondContact O-N 3.18Å; E609-I611 PolarHBondContact O-N 2.93Å
610	M	56.6	Low	55.7	Low	123 Å²	123	114 Å²	114	61%	0.606	64%	0.642	S	S	*	*			trans	-79.9	53.3	-165.8	-66.9	152.5	62.6	0	0	113.2	K612 K661	M610-K612 PolarHBondContact O-N 3.24Å; M610-K661 HydrophobicContact CB-CB 4.05Å
611	I	61.3	Low	58.6	Low	142 Å²	142	106 Å²	106	73%	0.728	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.5	128.7	179.3	-58	177.4	0	0	0	109.7	E609	E609-I611 PolarHBondContact O-N 2.93Å
612	K	58.8	Low	61.5	Low	141 Å²	141	105 Å²	105	61%	0.613	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-76	140.5	173.6	-67.2	172.7	-175.7	166.9	0	109	M610	M610-K612 PolarHBondContact O-N 3.24Å
613	P	76.2	Confident	63.9	Low	27 Å²	27	98.7 Å²	98.7	18%	0.175	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.4	178.2	29.9	-36.9	0	0	0	110.6	W615 R643 D644 C645	P613-W615 PolarHBondContact O-N 2.95Å; P613-R643 WeakPolarHBondContact CG-O 3.36Å; P613-D644 WeakPolarHBondContact CB-O 3.44Å; P613-D644 WeakPolarHBondContact CG-O 3.43Å; P613-C645 VanDerWaalsContact CB-C 3.44Å
614	V	77.8	Confident	66.9	Low	132 Å²	132	95.4 Å²	95.4	80%	0.8	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-62.9	126.9	162.5	-178.7	0	0	0	0	107.4
615	W	85.3	Confident	69.8	Low	105 Å²	105	85.3 Å²	85.3	40%	0.398	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-82.5	136.4	177.8	-76.9	18.6	0	0	0	110.1	P613 H641 R643	P613-W615 PolarHBondContact O-N 2.95Å; W615-H641 HydrophobicContact CD2-CB 3.55Å; W615-H641 AromaticContact CD2-CD2 3.99Å; W615-H641 AromaticContact CD2-CG 3.65Å; W615-H641 HydrophobicContact CE3-CB 3.58Å; W615-H641 AromaticContact CE3-CD2 3.79Å; W615-H641 AromaticContact CE3-CG 3.29Å; W615-H641 AromaticContact CE3-ND1 3.48Å; W615-H641 HydrophobicContact CG-CB 4.09Å; W615-H641 HydrophobicContact CH2-CB 4.23Å; W615-H641 HydrophobicContact CZ2-CB 4.19Å; W615-H641 HydrophobicContact CZ3-CB 3.92Å; W615-H641 AromaticContact CZ3-CG 3.85Å; W615-H641 AromaticContact CZ3-ND1 3.7Å; W615-R643 HydrophobicContact CZ2-CG 4.28Å
616	L	83.3	Confident	72.9	Confident	41 Å²	41	75.8 Å²	75.8	22%	0.215	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-66.9	130.6	174.1	-68.7	-177.2	0	0	0	110.2	I620 L625 H641 G646 W647 L776	L616-I620 HydrophobicContact CB-CG2 4.11Å; L616-I620 HydrophobicContact CD2-CD1 4.48Å; L616-L625 HydrophobicContact CD1-CD1 3.47Å; L616-L625 VanDerWaalsContact CD1-CD1 3.47Å; L616-H641 PolarHBondContact O-CD2 2.6Å; L616-H641 PolarHBondContact O-NE2 2.95Å; L616-G646 PolarHBondContact N-O 2.99Å; L616-G646 VanDerWaalsContact N-O 3.12Å; L616-W647 HydrophobicContact CD1-CD2 4.47Å; L616-W647 HydrophobicContact CD1-CG 4.39Å; L616-L776 HydrophobicContact CD1-CD1 4.45Å
617	P	81.6	Confident	75.7	Confident	69 Å²	69	75.6 Å²	75.6	45%	0.448	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-56.3	140.6	176.9	-27.6	36.1	0	0	0	112.7	N619 I620	P617-N619 WeakPolarHBondContact CB-OD1 3.36Å; P617-N619 PolarHBondContact O-N 3.34Å; P617-N619 VanDerWaalsContact O-N 3.12Å; P617-I620 WeakPolarHBondContact O-CB 3.48Å; P617-I620 VanDerWaalsContact O-CG2 3.25Å; P617-I620 WeakPolarHBondContact O-CG2 3.39Å; P617-I620 PolarHBondContact O-N 3.14Å
618	D	81.2	Confident	77.9	Confident	83 Å²	83	73.5 Å²	73.5	44%	0.444	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.9	-177.2	-90.1	-10.8	0	0	0	113.2	R639 H641 L648	D618-R639 VanDerWaalsContact CG-CD 3.48Å; D618-R639 VanDerWaalsContact O-CZ 3.28Å; D618-R639 PolarHBondContact O-NE 3.23Å; D618-R639 PolarHBondContact O-NH2 2.72Å; D618-R639 WeakPolarHBondContact OD1-CD 3.36Å; D618-H641 IonicContact OD1-CE1 3.39Å; D618-H641 PolarHBondContact OD1-CE1 3.28Å; D618-H641 IonicContact OD1-NE2 2.68Å; D618-H641 PolarHBondContact OD1-NE2 3.31Å; D618-L648 WeakPolarHBondContact OD1-CD1 3.21Å
619	N	78.3	Confident	80.2	Confident	124 Å²	124	67.9 Å²	67.9	66%	0.663	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-82.2	-5.6	178.6	64.8	-24.5	0	0	0	114.4	P617 S621 A774	P617-N619 WeakPolarHBondContact CB-OD1 3.36Å; P617-N619 PolarHBondContact O-N 3.34Å; P617-N619 VanDerWaalsContact O-N 3.12Å; N619-S621 VanDerWaalsContact C-N 3.27Å; N619-S621 PolarHBondContact O-N 3.27Å; N619-A774 VanDerWaalsContact O-CB 3.28Å; N619-A774 WeakPolarHBondContact O-CB 3.44Å
620	I	84.9	Confident	82.3	Confident	29 Å²	29	64.1 Å²	64.1	15%	0.149	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-72.9	-20.3	-178.3	-146.3	176.6	0	0	0	112.9	L616 P617 E775 L776	L616-I620 HydrophobicContact CB-CG2 4.11Å; L616-I620 HydrophobicContact CD2-CD1 4.48Å; P617-I620 WeakPolarHBondContact O-CB 3.48Å; P617-I620 VanDerWaalsContact O-CG2 3.25Å; P617-I620 WeakPolarHBondContact O-CG2 3.39Å; P617-I620 PolarHBondContact O-N 3.14Å; I620-E775 HydrophobicContact CG1-CB 4.23Å; I620-E775 HydrophobicContact CG1-CG 4.43Å; I620-E775 PolarHBondContact O-N 3.17Å; I620-L776 HydrophobicContact CD1-CD1 4.1Å; I620-L776 HydrophobicContact CD1-CG 4.39Å; I620-L776 HydrophobicContact CG1-CD1 4.26Å; I620-L776 HydrophobicContact CG1-CG 4.18Å; I620-L776 HydrophobicContact CG2-CD1 4.03Å; I620-L776 PolarHBondContact O-N 2.79Å
621	S	88.1	Confident	83.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.331	C	S	.	.			trans	-150.5	151.5	168.8	-171.3	0	0	0	0	113.2	N619 E623 R639 D777	N619-S621 VanDerWaalsContact C-N 3.27Å; N619-S621 PolarHBondContact O-N 3.27Å; S621-E623 PolarHBondContact OG-N 3.36Å; S621-E623 VanDerWaalsContact OG-N 3.09Å; S621-E623 PolarHBondContact OG-O 2.94Å; S621-R639 PolarHBondContact O-NE 3.4Å; S621-R639 PolarHBondContact O-NH2 3.21Å; S621-D777 VanDerWaalsContact CA-OD1 3.24Å; S621-D777 WeakPolarHBondContact CA-OD1 3.21Å; S621-D777 WeakPolarHBondContact CB-OD1 3.27Å; S621-D777 PolarHBondContact OG-OD1 3.08Å
622	N	88.1	Confident	85.2	Confident	54 Å²	54	56 Å²	56	29%	0.289	31%	0.312	S	S	.	.	S	Bend	trans	-97.7	9.9	170.1	-60	-69.4	0	0	0	113.1	E632 F633 R639 K773 A774 D777	N622-E632 CarbonylContact O-C 3.55Å; N622-E632 WeakPolarHBondContact O-CA 3Å; N622-F633 PolarHBondContact O-N 2.94Å; N622-R639 PolarHBondContact OD1-NH2 2.88Å; N622-K773 WeakPolarHBondContact ND2-CB 3.32Å; N622-A774 VanDerWaalsContact ND2-CB 3.29Å; N622-A774 WeakPolarHBondContact ND2-CB 3.49Å; N622-A774 PolarHBondContact ND2-N 3.12Å; N622-D777 PolarHBondContact N-OD1 2.79Å; N622-D777 PolarHBondContact ND2-OD2 2.83Å
623	E	91.8	Very high	86.6	Confident	4 Å²	4	50 Å²	50	2%	0.019	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-150.5	164.1	178.6	53.4	171.1	-147.8	0	0	113.3	S621 L625 T631 E632 F633 R730 S778	S621-E623 PolarHBondContact OG-N 3.36Å; S621-E623 VanDerWaalsContact OG-N 3.09Å; S621-E623 PolarHBondContact OG-O 2.94Å; E623-L625 PolarHBondContact O-N 3.25Å; E623-T631 WeakPolarHBondContact CA-O 3.2Å; E623-E632 HydrophobicContact CB-CG 4.42Å; E623-F633 WeakPolarHBondContact O-CE2 3.07Å; E623-R730 IonicContact OE1-CZ 3.45Å; E623-R730 VanDerWaalsContact OE1-CZ 3.23Å; E623-R730 IonicContact OE1-NH1 2.73Å; E623-R730 PolarHBondContact OE1-NH1 3.03Å; E623-R730 IonicContact OE1-NH2 3.86Å; E623-R730 PolarHBondContact OE1-NH2 2.88Å; E623-S778 VanDerWaalsContact OE1-CB 3.24Å; E623-S778 WeakPolarHBondContact OE1-CB 3.47Å; E623-S778 PolarHBondContact OE1-N 2.6Å; E623-S778 PolarHBondContact OE1-OG 3.25Å
624	C	93.4	Very high	86.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.			trans	-60.7	124.3	-178.6	-169.7	0	0	0	0	112	M626 C629 T631 F633 C650 C653 R730	C624-M626 PolarHBondContact O-N 3.22Å; C624-M626 VanDerWaalsContact O-N 3.12Å; C624-C629 HydrophobicContact CB-CB 4.08Å; C624-C629 VanDerWaalsContact SG-SG 3.67Å; C624-T631 PolarHBondContact N-O 3.43Å; C624-F633 HydrophobicContact CB-CZ 4.43Å; C624-C650 HydrophobicContact CB-CB 4.06Å; C624-C650 PolarHBondContact SG-N 3.39Å; C624-C653 VanDerWaalsContact SG-SG 3.63Å; C624-R730 PolarHBondContact O-NH2 2.96Å; C624-R730 VanDerWaalsContact O-NH2 3.16Å
625	L	93.3	Very high	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.271	C	S	.	.			trans	-80.1	15.3	-178.6	-60.8	178.7	0	0	0	114.1	L616 E623 W647 L648 R730 L776	L616-L625 HydrophobicContact CD1-CD1 3.47Å; L616-L625 VanDerWaalsContact CD1-CD1 3.47Å; E623-L625 PolarHBondContact O-N 3.25Å; L625-W647 HydrophobicContact CB-CE3 3.51Å; L625-W647 HydrophobicContact CB-CZ3 3.77Å; L625-W647 HydrophobicContact CD1-CE3 4.32Å; L625-W647 VanDerWaalsContact O-CZ3 3.24Å; L625-W647 WeakPolarHBondContact O-CZ3 3.5Å; L625-L648 WeakPolarHBondContact CB-O 3.47Å; L625-L648 HydrophobicContact CD1-CB 3.79Å; L625-L648 HydrophobicContact CG-CB 4.24Å; L625-L648 PolarHBondContact N-O 2.95Å; L625-R730 VanDerWaalsContact O-CB 3.3Å; L625-R730 WeakPolarHBondContact O-CB 3.38Å; L625-R730 PolarHBondContact O-N 3.47Å; L625-L776 HydrophobicContact CD1-CD1 3.93Å; L625-L776 HydrophobicContact CD2-CB 3.69Å; L625-L776 HydrophobicContact CD2-CD1 4.26Å
626	M	93.6	Very high	85.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-86	136.9	168.7	-56.8	-51	-69.7	0	0	109.9	C624 C629 I649 C653 C670 E672 F727 R728	C624-M626 PolarHBondContact O-N 3.22Å; C624-M626 VanDerWaalsContact O-N 3.12Å; M626-C629 HydrophobicContact CB-CB 3.96Å; M626-C629 WeakPolarHBondContact O-CB 3.43Å; M626-C629 PolarHBondContact O-N 3.31Å; M626-C629 VanDerWaalsContact O-N 3.14Å; M626-I649 HydrophobicContact CG-CG2 3.84Å; M626-I649 HydrophobicContact SD-CG2 3.68Å; M626-C653 HydrophobicContact CB-CB 4.49Å; M626-C653 HydrophobicContact CG-CB 3.64Å; M626-C670 HydrophobicContact CE-CB 4.1Å; M626-C670 HydrophobicContact SD-CB 3.79Å; M626-E672 HydrophobicContact CE-CB 4.36Å; M626-F727 HydrophobicContact CB-CB 4.33Å; M626-F727 HydrophobicContact CB-CD2 4.42Å; M626-F727 HydrophobicContact CE-CB 4.34Å; M626-F727 WeakPolarHBondContact CE-O 3.32Å; M626-R728 CarbonylContact C-O 3.47Å; M626-R728 WeakPolarHBondContact CA-O 3.42Å; M626-R728 VanDerWaalsContact CE-C 3.45Å; M626-R728 VanDerWaalsContact CE-O 3.29Å; M626-R728 WeakPolarHBondContact CE-O 3.28Å
627	E	90.4	Very high	85.3	Confident	110 Å²	110	44.3 Å²	44.3	51%	0.514	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	144.9	171.4	-170.4	165.9	-132.6	0	0	110.8	C629 F727 R728	E627-C629 PolarHBondContact O-N 3.45Å; E627-F727 WeakPolarHBondContact O-CD2 3.14Å; E627-R728 PolarHBondContact N-O 3.09Å
628	G	86	Confident	85.3	Confident	70 Å²	70	48.4 Å²	48.4	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	-6.9	-172.7	0	0	0	0	0	115.6
629	C	91.6	Very high	85.8	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.027	26%	0.255	C	S	.	.			trans	-98.4	100.7	-178.7	-163.8	0	0	0	0	112.7	C624 M626 E627 T631 C653 F727	C624-C629 HydrophobicContact CB-CB 4.08Å; C624-C629 VanDerWaalsContact SG-SG 3.67Å; M626-C629 HydrophobicContact CB-CB 3.96Å; M626-C629 WeakPolarHBondContact O-CB 3.43Å; M626-C629 PolarHBondContact O-N 3.31Å; M626-C629 VanDerWaalsContact O-N 3.14Å; E627-C629 PolarHBondContact O-N 3.45Å; C629-T631 PolarHBondContact O-N 3.4Å; C629-T631 PolarHBondContact SG-OG1 2.83Å; C629-C653 PolarHBondContact SG-SG 3.3Å; C629-F727 HydrophobicContact CB-CD2 4.1Å; C629-F727 HydrophobicContact CB-CE2 4.13Å
630	S	87.6	Confident	86.5	Confident	89 Å²	89	44.2 Å²	44.2	62%	0.622	24%	0.235	S	C	*	.			trans	-82.9	22.8	176	57.2	0	0	0	0	114.6	E632	S630-E632 PolarHBondContact O-N 3.16Å; S630-E632 VanDerWaalsContact O-N 3.11Å
631	T	89.2	Confident	86.9	Confident	21 Å²	21	44 Å²	44	13%	0.129	23%	0.233	C	C	.	.			trans	-77	100.1	-177.5	-56.7	0	0	0	0	111.3	E623 C624 C629 N637 C650 F652	E623-T631 WeakPolarHBondContact CA-O 3.2Å; C624-T631 PolarHBondContact N-O 3.43Å; C629-T631 PolarHBondContact O-N 3.4Å; C629-T631 PolarHBondContact SG-OG1 2.83Å; T631-N637 HydrophobicContact CG2-CB 4.12Å; T631-C650 HydrophobicContact CG2-CB 3.56Å; T631-F652 HydrophobicContact CG2-CD2 4.48Å
632	E	89.6	Confident	87.2	Confident	72 Å²	72	44 Å²	44	34%	0.336	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-62.9	133.5	168.1	-71.6	168.7	-150.8	0	0	111.2	N622 E623 S630 N637 K779	N622-E632 CarbonylContact O-C 3.55Å; N622-E632 WeakPolarHBondContact O-CA 3Å; E623-E632 HydrophobicContact CB-CG 4.42Å; S630-E632 PolarHBondContact O-N 3.16Å; S630-E632 VanDerWaalsContact O-N 3.11Å; E632-N637 VanDerWaalsContact O-CB 3.24Å; E632-N637 WeakPolarHBondContact O-CB 3.36Å; E632-N637 PolarHBondContact O-ND2 3.04Å; E632-N637 VanDerWaalsContact O-ND2 3.14Å; E632-K779 IonicContact OE1-NZ 3.91Å; E632-K779 PolarHBondContact OE1-NZ 3.25Å
633	F	87.2	Confident	87.5	Confident	15 Å²	15	44.2 Å²	44.2	7%	0.066	23%	0.23	C	C	.	.			trans	-79.9	133.6	176.5	-68.7	-51.4	0	0	0	111.3	N622 E623 C624 N637 R639 L648 I649 C650	N622-F633 PolarHBondContact O-N 2.94Å; E623-F633 WeakPolarHBondContact O-CE2 3.07Å; C624-F633 HydrophobicContact CB-CZ 4.43Å; F633-N637 VanDerWaalsContact CA-O 3.3Å; F633-N637 WeakPolarHBondContact CA-O 3.45Å; F633-N637 WeakPolarHBondContact CD1-O 3.24Å; F633-R639 HydrophobicContact CB-CG 4.01Å; F633-R639 HydrophobicContact CD1-CB 4.47Å; F633-R639 HydrophobicContact CD1-CG 3.75Å; F633-R639 HydrophobicContact CD2-CG 3.64Å; F633-R639 HydrophobicContact CE1-CB 4.47Å; F633-R639 HydrophobicContact CE1-CG 4.05Å; F633-R639 HydrophobicContact CE2-CG 3.95Å; F633-R639 HydrophobicContact CG-CG 3.54Å; F633-R639 HydrophobicContact CZ-CG 4.16Å; F633-L648 HydrophobicContact CD2-CD2 4.19Å; F633-L648 HydrophobicContact CE2-CB 4.37Å; F633-L648 HydrophobicContact CE2-CD2 3.61Å; F633-L648 HydrophobicContact CE2-CG 3.6Å; F633-L648 HydrophobicContact CZ-CD2 4.39Å; F633-L648 HydrophobicContact CZ-CG 3.88Å; F633-I649 WeakPolarHBondContact CE1-O 3.4Å; F633-C650 HydrophobicContact CE1-CB 4.03Å
634	N	77	Confident	87.6	Confident	53 Å²	53	45.1 Å²	45.1	28%	0.283	24%	0.235	S	C	.	.	S	Bend	trans	-158.8	-167.2	177.4	59.4	48.7	0	0	0	109.6	M262 I636 N637 R638	M262-N634 HydrophobicContact CE-CB 3.8Å; M262-N634 VanDerWaalsContact CE-OD1 3.28Å; M262-N634 WeakPolarHBondContact CE-OD1 3.4Å; M262-N634 HydrophobicContact SD-CB 3.76Å; N634-I636 PolarHBondContact O-N 3.08Å; N634-I636 WeakPolarHBondContact OD1-CA 3.45Å; N634-I636 WeakPolarHBondContact OD1-CB 3.15Å; N634-I636 PolarHBondContact OD1-N 2.75Å; N634-N637 PolarHBondContact N-O 3.05Å; N634-N637 CarbonylContact O-C 3.26Å; N634-N637 PolarHBondContact O-N 3.12Å; N634-N637 PolarHBondContact OD1-N 2.85Å; N634-R638 PolarHBondContact O-N 3.12Å
635	I	66.6	Low	87.5	Confident	72 Å²	72	46.6 Å²	46.6	37%	0.369	24%	0.244	S	C	.	.	S	Bend	trans	-64.8	-27.3	-174.6	-63.2	168.4	0	0	0	112	I259 F291 R638	I259-I635 HydrophobicContact CD1-CD1 3.95Å; I259-I635 HydrophobicContact CG1-CD1 3.49Å; I259-I635 VanDerWaalsContact CG1-CD1 3.49Å; F291-I635 HydrophobicContact CD1-CG2 3.55Å; F291-I635 HydrophobicContact CE1-CG2 3.71Å; F291-I635 VanDerWaalsContact CE1-O 3.27Å; F291-I635 WeakPolarHBondContact CE1-O 3.46Å; I635-R638 WeakPolarHBondContact O-CG 3.41Å; I635-R638 PolarHBondContact O-NE 3.04Å
636	I	69.5	Low	87.4	Confident	29 Å²	29	46.6 Å²	46.6	15%	0.149	24%	0.244	C	C	.	.	S	Bend	trans	-89.5	-51.7	175.7	-60.2	173.8	0	0	0	110.8	M262 T287 F288 F291 N634 R638	M262-I636 HydrophobicContact CE-CB 4.32Å; M262-I636 HydrophobicContact CE-CD1 3.78Å; M262-I636 HydrophobicContact CE-CG1 3.87Å; T287-I636 HydrophobicContact CG2-CD1 4.41Å; T287-I636 HydrophobicContact CG2-CG2 4.03Å; F288-I636 HydrophobicContact CD1-CD1 3.81Å; F288-I636 HydrophobicContact CD2-CD1 3.88Å; F288-I636 HydrophobicContact CE1-CD1 3.44Å; F288-I636 VanDerWaalsContact CE1-CD1 3.44Å; F288-I636 HydrophobicContact CE2-CD1 3.52Å; F288-I636 HydrophobicContact CG-CD1 4.03Å; F288-I636 HydrophobicContact CZ-CD1 3.3Å; F291-I636 HydrophobicContact CD2-CG1 4.09Å; F291-I636 HydrophobicContact CE1-CG1 4.3Å; F291-I636 HydrophobicContact CE2-CG1 3.75Å; F291-I636 HydrophobicContact CZ-CB 4.33Å; F291-I636 HydrophobicContact CZ-CG1 3.86Å; N634-I636 PolarHBondContact O-N 3.08Å; N634-I636 WeakPolarHBondContact OD1-CA 3.45Å; N634-I636 WeakPolarHBondContact OD1-CB 3.15Å; N634-I636 PolarHBondContact OD1-N 2.75Å; I636-R638 VanDerWaalsContact C-N 3.27Å; I636-R638 PolarHBondContact O-N 2.9Å; I636-R638 VanDerWaalsContact O-N 3.08Å
637	N	81.8	Confident	87.3	Confident	32 Å²	32	49.1 Å²	49.1	17%	0.171	25%	0.254	C	S	.	.	S	Bend	trans	-84.2	72.5	174.7	-70.8	-22.8	0	0	0	109.3	T631 E632 F633 N634	T631-N637 HydrophobicContact CG2-CB 4.12Å; E632-N637 VanDerWaalsContact O-CB 3.24Å; E632-N637 WeakPolarHBondContact O-CB 3.36Å; E632-N637 PolarHBondContact O-ND2 3.04Å; E632-N637 VanDerWaalsContact O-ND2 3.14Å; F633-N637 VanDerWaalsContact CA-O 3.3Å; F633-N637 WeakPolarHBondContact CA-O 3.45Å; F633-N637 WeakPolarHBondContact CD1-O 3.24Å; N634-N637 PolarHBondContact N-O 3.05Å; N634-N637 CarbonylContact O-C 3.26Å; N634-N637 PolarHBondContact O-N 3.12Å; N634-N637 PolarHBondContact OD1-N 2.85Å
638	R	82.8	Confident	87.4	Confident	156 Å²	156	43.9 Å²	43.9	59%	0.589	23%	0.229	S	C	*	.			trans	-65.9	147.4	-178.8	-60.9	-173	-176.7	-175	3	111.8	N634 I635 I636	N634-R638 PolarHBondContact O-N 3.12Å; I635-R638 WeakPolarHBondContact O-CG 3.41Å; I635-R638 PolarHBondContact O-NE 3.04Å; I636-R638 VanDerWaalsContact C-N 3.27Å; I636-R638 PolarHBondContact O-N 2.9Å; I636-R638 VanDerWaalsContact O-N 3.08Å
639	R	90.4	Very high	87.9	Confident	70 Å²	70	40.6 Å²	40.6	26%	0.264	20%	0.195	S	C	.	.			trans	-66.6	143.8	173.5	-72.3	172.4	174	88.2	-5.2	111.3	D618 S621 N622 F633 L648	D618-R639 VanDerWaalsContact CG-CD 3.48Å; D618-R639 VanDerWaalsContact O-CZ 3.28Å; D618-R639 PolarHBondContact O-NE 3.23Å; D618-R639 PolarHBondContact O-NH2 2.72Å; D618-R639 WeakPolarHBondContact OD1-CD 3.36Å; S621-R639 PolarHBondContact O-NE 3.4Å; S621-R639 PolarHBondContact O-NH2 3.21Å; N622-R639 PolarHBondContact OD1-NH2 2.88Å; F633-R639 HydrophobicContact CB-CG 4.01Å; F633-R639 HydrophobicContact CD1-CB 4.47Å; F633-R639 HydrophobicContact CD1-CG 3.75Å; F633-R639 HydrophobicContact CD2-CG 3.64Å; F633-R639 HydrophobicContact CE1-CB 4.47Å; F633-R639 HydrophobicContact CE1-CG 4.05Å; F633-R639 HydrophobicContact CE2-CG 3.95Å; F633-R639 HydrophobicContact CG-CG 3.54Å; F633-R639 HydrophobicContact CZ-CG 4.16Å; R639-L648 HydrophobicContact CB-CD1 3.95Å; R639-L648 HydrophobicContact CB-CG 4.49Å; R639-L648 HydrophobicContact CG-CD1 4.15Å; R639-L648 HydrophobicContact CG-CD2 4.25Å; R639-L648 HydrophobicContact CG-CG 4.27Å
640	H	93.3	Very high	88.1	Confident	49 Å²	49	40.4 Å²	40.4	23%	0.227	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135	171.6	-55.6	-33.2	0	0	0	109.9	I649	H640-I649 HydrophobicContact CB-CG1 4.19Å; H640-I649 WeakPolarHBondContact CB-O 3.21Å; H640-I649 PolarHBondContact N-O 3.11Å; H640-I649 WeakPolarHBondContact O-CG1 3.35Å; H640-I649 PolarHBondContact O-N 3.38Å
641	H	93.8	Very high	88.4	Confident	25 Å²	25	40.6 Å²	40.6	12%	0.116	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.9	172	-55.3	77	0	0	0	112.4	W615 L616 D618 R643 W647 L648	W615-H641 HydrophobicContact CD2-CB 3.55Å; W615-H641 AromaticContact CD2-CD2 3.99Å; W615-H641 AromaticContact CD2-CG 3.65Å; W615-H641 HydrophobicContact CE3-CB 3.58Å; W615-H641 AromaticContact CE3-CD2 3.79Å; W615-H641 AromaticContact CE3-CG 3.29Å; W615-H641 AromaticContact CE3-ND1 3.48Å; W615-H641 HydrophobicContact CG-CB 4.09Å; W615-H641 HydrophobicContact CH2-CB 4.23Å; W615-H641 HydrophobicContact CZ2-CB 4.19Å; W615-H641 HydrophobicContact CZ3-CB 3.92Å; W615-H641 AromaticContact CZ3-CG 3.85Å; W615-H641 AromaticContact CZ3-ND1 3.7Å; L616-H641 PolarHBondContact O-CD2 2.6Å; L616-H641 PolarHBondContact O-NE2 2.95Å; D618-H641 IonicContact OD1-CE1 3.39Å; D618-H641 PolarHBondContact OD1-CE1 3.28Å; D618-H641 IonicContact OD1-NE2 2.68Å; D618-H641 PolarHBondContact OD1-NE2 3.31Å; H641-R643 WeakPolarHBondContact O-CD 3.35Å; H641-R643 PolarHBondContact O-N 3.41Å; H641-R643 PolarHBondContact O-NH1 3.08Å; H641-W647 CarbonylContact C-O 3.55Å; H641-W647 WeakPolarHBondContact CA-O 3.41Å; H641-L648 WeakPolarHBondContact NE2-CD1 3.25Å
642	C	95.1	Very high	88.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.193	C	C	.	.			trans	-66.4	125.7	164.4	-179.9	0	0	0	0	110.1	D644 C645 G646 W647 C670	C642-D644 PolarHBondContact O-N 3.26Å; C642-D644 PolarHBondContact SG-N 3.36Å; C642-C645 WeakPolarHBondContact CB-SG 3.32Å; C642-C645 PolarHBondContact SG-N 3.39Å; C642-C645 VanDerWaalsContact SG-N 3.44Å; C642-C645 PolarHBondContact SG-SG 2.77Å; C642-G646 VanDerWaalsContact O-CA 3.23Å; C642-G646 WeakPolarHBondContact O-CA 3.32Å; C642-G646 PolarHBondContact O-N 3.06Å; C642-W647 PolarHBondContact N-O 3.46Å; C642-C670 HydrophobicContact CB-CB 4.18Å; C642-C670 PolarHBondContact SG-N 2.84Å; C642-C670 VanDerWaalsContact SG-N 3.38Å
643	R	94.3	Very high	89	Confident	58 Å²	58	39.8 Å²	39.8	22%	0.219	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.4	176.6	-81.3	54.3	169.6	162.6	9.3	113	P613 W615 H641 L659 K661 Y662 Q667 N668	P613-R643 WeakPolarHBondContact CG-O 3.36Å; W615-R643 HydrophobicContact CZ2-CG 4.28Å; H641-R643 WeakPolarHBondContact O-CD 3.35Å; H641-R643 PolarHBondContact O-N 3.41Å; H641-R643 PolarHBondContact O-NH1 3.08Å; R643-L659 HydrophobicContact CB-CD1 3.87Å; R643-K661 WeakPolarHBondContact O-CE 3.36Å; R643-Y662 HydrophobicContact CB-CE2 4Å; R643-Q667 HydrophobicContact CB-CB 4.03Å; R643-Q667 HydrophobicContact CG-CB 4.36Å; R643-N668 WeakPolarHBondContact CB-O 3.46Å; R643-N668 PolarHBondContact N-O 3.08Å
644	D	93.4	Very high	89.4	Confident	23 Å²	23	42.3 Å²	42.3	12%	0.123	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-48	177.5	-165	39.8	0	0	0	113.4	P613 C642 L659 K661 V669 C673 R676 H677	P613-D644 WeakPolarHBondContact CB-O 3.44Å; P613-D644 WeakPolarHBondContact CG-O 3.43Å; C642-D644 PolarHBondContact O-N 3.26Å; C642-D644 PolarHBondContact SG-N 3.36Å; D644-L659 HydrophobicContact CB-CD1 4.03Å; D644-L659 HydrophobicContact CB-CD2 3.99Å; D644-K661 PolarHBondContact O-NZ 3.47Å; D644-K661 VanDerWaalsContact OD1-CE 3.24Å; D644-K661 WeakPolarHBondContact OD1-CE 3.34Å; D644-K661 IonicContact OD1-NZ 3.47Å; D644-K661 PolarHBondContact OD1-NZ 3.21Å; D644-V669 HydrophobicContact CB-CG1 4.22Å; D644-C673 HydrophobicContact CB-CB 4.03Å; D644-C673 PolarHBondContact OD2-SG 2.72Å; D644-R676 IonicContact OD2-NH1 2.85Å; D644-R676 PolarHBondContact OD2-NH1 3.06Å; D644-H677 VanDerWaalsContact CG-NE2 3.28Å; D644-H677 IonicContact OD1-NE2 3.14Å; D644-H677 IonicContact OD2-CD2 3.14Å; D644-H677 IonicContact OD2-CE1 2.95Å; D644-H677 IonicContact OD2-NE2 2.78Å; D644-H677 PolarHBondContact OD2-NE2 3.36Å
645	C	92.2	Very high	90.3	Very high	30 Å²	30	39.8 Å²	39.8	20%	0.203	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-5.7	-177	64.1	0	0	0	0	115.6	P613 C642 W647 C673 H729	P613-C645 VanDerWaalsContact CB-C 3.44Å; C642-C645 WeakPolarHBondContact CB-SG 3.32Å; C642-C645 PolarHBondContact SG-N 3.39Å; C642-C645 VanDerWaalsContact SG-N 3.44Å; C642-C645 PolarHBondContact SG-SG 2.77Å; C645-W647 VanDerWaalsContact C-N 3.29Å; C645-W647 PolarHBondContact O-N 3.31Å; C645-W647 VanDerWaalsContact SG-CD1 3.51Å; C645-C673 VanDerWaalsContact SG-SG 3.7Å; C645-H729 PolarHBondContact SG-NE2 3.23Å
646	G	89.9	Confident	91.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.168	C	C	.	.			trans	81	-3.9	179.9	0	0	0	0	0	116.1	L616 C642	L616-G646 PolarHBondContact N-O 2.99Å; L616-G646 VanDerWaalsContact N-O 3.12Å; C642-G646 VanDerWaalsContact O-CA 3.23Å; C642-G646 WeakPolarHBondContact O-CA 3.32Å; C642-G646 PolarHBondContact O-N 3.06Å
647	W	92.1	Very high	93.1	Very high	53 Å²	53	37.3 Å²	37.3	20%	0.201	16%	0.161	C	C	.	.			trans	-67.1	146.6	-174.8	-79.6	55.8	0	0	0	114.3	L616 L625 H641 C642 C645 H729 R730 V732	L616-W647 HydrophobicContact CD1-CD2 4.47Å; L616-W647 HydrophobicContact CD1-CG 4.39Å; L625-W647 HydrophobicContact CB-CE3 3.51Å; L625-W647 HydrophobicContact CB-CZ3 3.77Å; L625-W647 HydrophobicContact CD1-CE3 4.32Å; L625-W647 VanDerWaalsContact O-CZ3 3.24Å; L625-W647 WeakPolarHBondContact O-CZ3 3.5Å; H641-W647 CarbonylContact C-O 3.55Å; H641-W647 WeakPolarHBondContact CA-O 3.41Å; C642-W647 PolarHBondContact N-O 3.46Å; C645-W647 VanDerWaalsContact C-N 3.29Å; C645-W647 PolarHBondContact O-N 3.31Å; C645-W647 VanDerWaalsContact SG-CD1 3.51Å; W647-H729 HydrophobicContact CD2-CB 4.21Å; W647-H729 AromaticContact CD2-CD2 3.26Å; W647-H729 AromaticContact CD2-CG 3.88Å; W647-H729 AromaticContact CE2-CD2 3.8Å; W647-H729 AromaticContact CE2-CG 3.99Å; W647-H729 HydrophobicContact CE3-CB 3.92Å; W647-H729 AromaticContact CE3-CD2 3.44Å; W647-H729 VanDerWaalsContact CE3-CD2 3.44Å; W647-H729 AromaticContact CE3-CG 3.97Å; W647-H729 AromaticContact CG-CD2 3.51Å; W647-H729 AromaticContact CG-NE2 3.8Å; W647-H729 HydrophobicContact CH2-CB 3.73Å; W647-H729 HydrophobicContact CZ2-CB 3.98Å; W647-H729 HydrophobicContact CZ3-CB 3.68Å; W647-R730 VanDerWaalsContact CH2-O 3.24Å; W647-R730 WeakPolarHBondContact CH2-O 3.28Å; W647-R730 HydrophobicContact CZ3-CB 4.46Å; W647-V732 HydrophobicContact CH2-CB 4.33Å; W647-V732 HydrophobicContact CH2-CG2 3.64Å; W647-V732 HydrophobicContact CZ3-CG2 4.14Å
648	L	92.8	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.1	-176.7	-158.5	68.6	0	0	0	111.1	D618 L625 F633 R639 H641	D618-L648 WeakPolarHBondContact OD1-CD1 3.21Å; L625-L648 WeakPolarHBondContact CB-O 3.47Å; L625-L648 HydrophobicContact CD1-CB 3.79Å; L625-L648 HydrophobicContact CG-CB 4.24Å; L625-L648 PolarHBondContact N-O 2.95Å; F633-L648 HydrophobicContact CD2-CD2 4.19Å; F633-L648 HydrophobicContact CE2-CB 4.37Å; F633-L648 HydrophobicContact CE2-CD2 3.61Å; F633-L648 HydrophobicContact CE2-CG 3.6Å; F633-L648 HydrophobicContact CZ-CD2 4.39Å; F633-L648 HydrophobicContact CZ-CG 3.88Å; R639-L648 HydrophobicContact CB-CD1 3.95Å; R639-L648 HydrophobicContact CB-CG 4.49Å; R639-L648 HydrophobicContact CG-CD1 4.15Å; R639-L648 HydrophobicContact CG-CD2 4.25Å; R639-L648 HydrophobicContact CG-CG 4.27Å; H641-L648 WeakPolarHBondContact NE2-CD1 3.25Å
649	I	95.8	Very high	94.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.1	-170.3	61.5	174	0	0	0	112.9	M626 F633 H640 C653 K654 C670	M626-I649 HydrophobicContact CG-CG2 3.84Å; M626-I649 HydrophobicContact SD-CG2 3.68Å; F633-I649 WeakPolarHBondContact CE1-O 3.4Å; H640-I649 HydrophobicContact CB-CG1 4.19Å; H640-I649 WeakPolarHBondContact CB-O 3.21Å; H640-I649 PolarHBondContact N-O 3.11Å; H640-I649 WeakPolarHBondContact O-CG1 3.35Å; H640-I649 PolarHBondContact O-N 3.38Å; I649-C653 HydrophobicContact CB-CB 4.14Å; I649-K654 HydrophobicContact CD1-CB 4.1Å; I649-C670 VanDerWaalsContact CD1-CA 3.5Å; I649-C670 HydrophobicContact CD1-CB 3.85Å; I649-C670 HydrophobicContact CG2-CB 3.87Å
650	C	94.9	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.			trans	-87	169	175.1	75.9	0	0	0	0	112.8	C624 T631 F633 F652 C653 K654	C624-C650 HydrophobicContact CB-CB 4.06Å; C624-C650 PolarHBondContact SG-N 3.39Å; T631-C650 HydrophobicContact CG2-CB 3.56Å; F633-C650 HydrophobicContact CE1-CB 4.03Å; C650-F652 PolarHBondContact O-N 3.34Å; C650-F652 VanDerWaalsContact O-N 3.1Å; C650-C653 PolarHBondContact O-N 3.14Å; C650-C653 VanDerWaalsContact O-N 3.1Å; C650-K654 WeakPolarHBondContact O-CB 3.43Å; C650-K654 PolarHBondContact O-N 3.5Å; C650-K654 VanDerWaalsContact O-N 3.14Å
651	K	94.2	Very high	93.9	Very high	94 Å²	94	27.3 Å²	27.3	41%	0.409	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28	177.7	69.1	-173.1	178.8	-170	0	114.8
652	F	94.9	Very high	93.6	Very high	76 Å²	76	28.6 Å²	28.6	33%	0.333	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-32.2	179.8	-53	-71.6	0	0	0	112.8	T631 C650 K654 P722 V723 N724	T631-F652 HydrophobicContact CG2-CD2 4.48Å; C650-F652 PolarHBondContact O-N 3.34Å; C650-F652 VanDerWaalsContact O-N 3.1Å; F652-K654 VanDerWaalsContact C-N 3.35Å; F652-P722 WeakPolarHBondContact O-CB 3.39Å; F652-V723 HydrophobicContact CB-CB 4.25Å; F652-V723 HydrophobicContact CD1-CB 4.46Å; F652-V723 HydrophobicContact CD1-CG2 4.41Å; F652-V723 PolarHBondContact O-N 3.34Å; F652-N724 WeakPolarHBondContact CB-OD1 3.15Å; F652-N724 PolarHBondContact O-N 2.91Å
653	C	96.5	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.8	176	-68.6	0	0	0	0	113.7	C624 M626 C629 I649 C650 G655 C670 S671	C624-C653 VanDerWaalsContact SG-SG 3.63Å; M626-C653 HydrophobicContact CB-CB 4.49Å; M626-C653 HydrophobicContact CG-CB 3.64Å; C629-C653 PolarHBondContact SG-SG 3.3Å; I649-C653 HydrophobicContact CB-CB 4.14Å; C650-C653 PolarHBondContact O-N 3.14Å; C650-C653 VanDerWaalsContact O-N 3.1Å; C653-G655 PolarHBondContact O-N 2.65Å; C653-C670 CarbonylContact O-C 3.4Å; C653-C670 WeakPolarHBondContact O-CA 3.45Å; C653-S671 PolarHBondContact O-N 3.01Å
654	K	96.5	Very high	93.3	Very high	68 Å²	68	29.9 Å²	29.9	30%	0.296	14%	0.143	S	C	.	.			trans	-87	103	-178.1	179.8	-147.4	175.2	-176.9	0	111.2	I649 C650 F652 N668 V669	I649-K654 HydrophobicContact CD1-CB 4.1Å; C650-K654 WeakPolarHBondContact O-CB 3.43Å; C650-K654 PolarHBondContact O-N 3.5Å; C650-K654 VanDerWaalsContact O-N 3.14Å; F652-K654 VanDerWaalsContact C-N 3.35Å; K654-N668 WeakPolarHBondContact CE-OD1 3.33Å; K654-N668 HydrophobicContact CG-CB 4.35Å; K654-V669 CarbonylContact C-O 3.52Å; K654-V669 WeakPolarHBondContact CA-O 3.46Å
655	G	96.6	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-174.6	164.4	0	0	0	0	0	112.5	C653 N668 V669 K720	C653-G655 PolarHBondContact O-N 2.65Å; G655-N668 WeakPolarHBondContact O-CA 3.43Å; G655-V669 PolarHBondContact N-O 2.87Å; G655-V669 PolarHBondContact O-N 2.91Å; G655-K720 CarbonylContact C-O 3.54Å; G655-K720 VanDerWaalsContact CA-O 3.25Å; G655-K720 WeakPolarHBondContact CA-O 3.26Å
656	Q	97.8	Very high	93.3	Very high	49 Å²	49	32.9 Å²	32.9	23%	0.229	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.8	167.2	-54.7	-179.5	-76.5	0	0	110.7	K666 Q667 F674 F719 K720	Q656-K666 HydrophobicContact CB-CD 4.35Å; Q656-K666 HydrophobicContact CB-CG 3.89Å; Q656-Q667 CarbonylContact C-O 3.52Å; Q656-Q667 WeakPolarHBondContact CA-O 3.45Å; Q656-F674 WeakPolarHBondContact O-CD2 3.4Å; Q656-F674 VanDerWaalsContact O-CE2 3.25Å; Q656-F674 WeakPolarHBondContact O-CE2 3.3Å; Q656-F719 CarbonylContact O-C 3.56Å; Q656-F719 WeakPolarHBondContact O-CA 3.26Å; Q656-K720 HydrophobicContact CB-CB 4.05Å; Q656-K720 HydrophobicContact CG-CB 4.33Å; Q656-K720 PolarHBondContact N-O 2.91Å; Q656-K720 PolarHBondContact O-N 3.14Å
657	A	96.4	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.5	178.3	0	0	0	0	0	110.5	Q667 V669 F674 H677 F719	A657-Q667 PolarHBondContact N-O 3.09Å; A657-Q667 PolarHBondContact O-N 3.25Å; A657-V669 HydrophobicContact CB-CG1 4.34Å; A657-V669 HydrophobicContact CB-CG2 3.89Å; A657-F674 HydrophobicContact CB-CD2 4.34Å; A657-H677 HydrophobicContact CB-CB 4.1Å; A657-F719 HydrophobicContact CB-CD1 4.03Å; A657-F719 HydrophobicContact CB-CE1 3.96Å
658	P	95.2	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.7	171.8	28.4	-29.9	0	0	0	110.7	F664 T665 L686 F687 L718 F719	P658-F664 HydrophobicContact CB-CB 4.47Å; P658-F664 WeakPolarHBondContact CB-O 3.34Å; P658-T665 WeakPolarHBondContact CA-O 3.38Å; P658-L686 HydrophobicContact CG-CD2 3.98Å; P658-F687 HydrophobicContact CB-CE1 4.35Å; P658-F687 HydrophobicContact CB-CZ 4.29Å; P658-F687 HydrophobicContact CG-CE1 4.34Å; P658-F687 HydrophobicContact CG-CZ 3.81Å; P658-L718 HydrophobicContact CB-CB 4.01Å; P658-L718 HydrophobicContact CB-CD1 3.99Å; P658-L718 HydrophobicContact CG-CB 3.83Å; P658-L718 HydrophobicContact CG-CD1 4.24Å; P658-F719 HydrophobicContact CG-CE1 4.38Å; P658-F719 HydrophobicContact CG-CE2 4.05Å; P658-F719 HydrophobicContact CG-CZ 3.85Å
659	L	93.1	Very high	93.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.163	C	C	.	.			trans	-118.1	128.4	-178.7	-65	-177.6	0	0	0	111.8	R643 D644 K661 Y662 F664 T665 Q667 V669 H677	R643-L659 HydrophobicContact CB-CD1 3.87Å; D644-L659 HydrophobicContact CB-CD1 4.03Å; D644-L659 HydrophobicContact CB-CD2 3.99Å; L659-K661 VanDerWaalsContact C-N 3.32Å; L659-K661 PolarHBondContact O-N 3.5Å; L659-Y662 HydrophobicContact CB-CD2 3.91Å; L659-Y662 HydrophobicContact CD1-CD2 3.91Å; L659-Y662 HydrophobicContact CD1-CE2 4.12Å; L659-Y662 CarbonylContact O-C 3.57Å; L659-Y662 WeakPolarHBondContact O-CA 3.49Å; L659-Y662 PolarHBondContact O-N 3.49Å; L659-F664 VanDerWaalsContact O-CA 3.29Å; L659-F664 WeakPolarHBondContact O-CA 3.37Å; L659-F664 PolarHBondContact O-N 3.49Å; L659-T665 PolarHBondContact N-O 3.1Å; L659-Q667 HydrophobicContact CB-CG 4.44Å; L659-Q667 HydrophobicContact CD1-CB 3.67Å; L659-Q667 HydrophobicContact CD1-CG 4.18Å; L659-Q667 HydrophobicContact CG-CB 4.01Å; L659-Q667 HydrophobicContact CG-CG 4.44Å; L659-V669 HydrophobicContact CD1-CG1 4.21Å; L659-V669 HydrophobicContact CD2-CG1 4.15Å; L659-V669 HydrophobicContact CG-CG1 4.44Å; L659-H677 VanDerWaalsContact CD2-CD2 3.49Å; L659-H677 WeakPolarHBondContact CD2-CD2 3.45Å; L659-H677 VanDerWaalsContact CD2-NE2 3.32Å; L659-H677 WeakPolarHBondContact CD2-NE2 3.39Å
660	S	89.2	Confident	94	Very high	57 Å²	57	33.8 Å²	33.8	40%	0.399	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-54.6	-43.8	179.2	55.6	0	0	0	0	113.2	Y662 D663	S660-Y662 PolarHBondContact O-N 2.92Å; S660-Y662 VanDerWaalsContact O-N 3.09Å; S660-D663 PolarHBondContact O-N 3.18Å; S660-D663 VanDerWaalsContact O-N 3.15Å
661	K	86.9	Confident	94	Very high	38 Å²	38	33.8 Å²	33.8	17%	0.165	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-68.9	2.2	175.7	65.1	-168.2	174.4	-151.1	0	115.7	M610 R643 D644 L659	M610-K661 HydrophobicContact CB-CB 4.05Å; R643-K661 WeakPolarHBondContact O-CE 3.36Å; D644-K661 PolarHBondContact O-NZ 3.47Å; D644-K661 VanDerWaalsContact OD1-CE 3.24Å; D644-K661 WeakPolarHBondContact OD1-CE 3.34Å; D644-K661 IonicContact OD1-NZ 3.47Å; D644-K661 PolarHBondContact OD1-NZ 3.21Å; L659-K661 VanDerWaalsContact C-N 3.32Å; L659-K661 PolarHBondContact O-N 3.5Å
662	Y	88.7	Confident	94.1	Very high	52 Å²	52	31.2 Å²	31.2	20%	0.204	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-130.9	39.1	171.3	-65.1	-88.4	0	0	0	110.8	R643 L659 S660 F664 T665 Q667	R643-Y662 HydrophobicContact CB-CE2 4Å; L659-Y662 HydrophobicContact CB-CD2 3.91Å; L659-Y662 HydrophobicContact CD1-CD2 3.91Å; L659-Y662 HydrophobicContact CD1-CE2 4.12Å; L659-Y662 CarbonylContact O-C 3.57Å; L659-Y662 WeakPolarHBondContact O-CA 3.49Å; L659-Y662 PolarHBondContact O-N 3.49Å; S660-Y662 PolarHBondContact O-N 2.92Å; S660-Y662 VanDerWaalsContact O-N 3.09Å; Y662-F664 PolarHBondContact O-N 3.35Å; Y662-F664 VanDerWaalsContact O-N 3.13Å; Y662-T665 WeakPolarHBondContact O-CB 3.48Å; Y662-T665 WeakPolarHBondContact O-CG2 3.43Å; Y662-T665 PolarHBondContact O-N 2.84Å; Y662-T665 PolarHBondContact O-OG1 3.43Å; Y662-Q667 HydrophobicContact CD1-CG 4.36Å; Y662-Q667 HydrophobicContact CD2-CG 3.89Å; Y662-Q667 HydrophobicContact CG-CG 3.76Å
663	D	90.2	Very high	94.2	Very high	62 Å²	62	27.6 Å²	27.6	33%	0.332	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	31.5	178.1	-56.8	-63.9	0	0	0	113.7	S660 T665 G705 K706	S660-D663 PolarHBondContact O-N 3.18Å; S660-D663 VanDerWaalsContact O-N 3.15Å; D663-T665 PolarHBondContact O-N 2.83Å; D663-G705 PolarHBondContact O-N 3.45Å; D663-K706 VanDerWaalsContact OD2-CG 3.22Å; D663-K706 WeakPolarHBondContact OD2-CG 3.34Å
664	F	92.3	Very high	94.2	Very high	23 Å²	23	27.9 Å²	27.9	10%	0.101	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	16	-173.6	-57.7	-83.5	0	0	0	115.4	P658 L659 Y662 L686 F687 P688 I704	P658-F664 HydrophobicContact CB-CB 4.47Å; P658-F664 WeakPolarHBondContact CB-O 3.34Å; L659-F664 VanDerWaalsContact O-CA 3.29Å; L659-F664 WeakPolarHBondContact O-CA 3.37Å; L659-F664 PolarHBondContact O-N 3.49Å; Y662-F664 PolarHBondContact O-N 3.35Å; Y662-F664 VanDerWaalsContact O-N 3.13Å; F664-L686 WeakPolarHBondContact CE1-O 3.37Å; F664-F687 HydrophobicContact CB-CD1 4.45Å; F664-F687 HydrophobicContact CB-CE1 4.13Å; F664-F687 AromaticContact CD1-CD1 3.91Å; F664-F687 HydrophobicContact CD1-CD1 3.91Å; F664-F687 HydrophobicContact CD1-CE1 4.03Å; F664-F687 HydrophobicContact CE1-CD1 4.45Å; F664-F687 HydrophobicContact CG-CD1 4.21Å; F664-F687 HydrophobicContact CG-CE1 4.3Å; F664-P688 HydrophobicContact CE2-CG 4.24Å; F664-P688 VanDerWaalsContact CZ-CD 3.45Å; F664-P688 HydrophobicContact CZ-CG 3.98Å; F664-I704 HydrophobicContact CB-CB 4.29Å; F664-I704 HydrophobicContact CB-CG2 3.78Å
665	T	91.3	Very high	94.2	Very high	44 Å²	44	25.6 Å²	25.6	27%	0.27	13%	0.129	S	C	.	.			trans	-66.1	153.9	170.8	63.6	0	0	0	0	111.9	P658 L659 Y662 D663 Q667	P658-T665 WeakPolarHBondContact CA-O 3.38Å; L659-T665 PolarHBondContact N-O 3.1Å; Y662-T665 WeakPolarHBondContact O-CB 3.48Å; Y662-T665 WeakPolarHBondContact O-CG2 3.43Å; Y662-T665 PolarHBondContact O-N 2.84Å; Y662-T665 PolarHBondContact O-OG1 3.43Å; D663-T665 PolarHBondContact O-N 2.83Å; T665-Q667 PolarHBondContact O-N 2.89Å; T665-Q667 PolarHBondContact OG1-NE2 2.78Å
666	K	93.4	Very high	94.1	Very high	72 Å²	72	31 Å²	31	31%	0.313	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	108.3	-178.5	-177.4	167.1	-160.9	165.2	0	111.6	Q656 K717 L718 F719	Q656-K666 HydrophobicContact CB-CD 4.35Å; Q656-K666 HydrophobicContact CB-CG 3.89Å; K666-K717 PolarHBondContact NZ-O 3.5Å; K666-L718 WeakPolarHBondContact CD-O 3.44Å; K666-L718 WeakPolarHBondContact CE-O 3.04Å; K666-L718 VanDerWaalsContact CG-O 3.3Å; K666-L718 WeakPolarHBondContact CG-O 3.18Å; K666-F719 PolarHBondContact NZ-O 2.63Å
667	Q	95.9	Very high	94	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.201	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.9	-176.7	-65.1	-58.8	-31.2	0	0	112.7	R643 Q656 A657 L659 Y662 T665	R643-Q667 HydrophobicContact CB-CB 4.03Å; R643-Q667 HydrophobicContact CG-CB 4.36Å; Q656-Q667 CarbonylContact C-O 3.52Å; Q656-Q667 WeakPolarHBondContact CA-O 3.45Å; A657-Q667 PolarHBondContact N-O 3.09Å; A657-Q667 PolarHBondContact O-N 3.25Å; L659-Q667 HydrophobicContact CB-CG 4.44Å; L659-Q667 HydrophobicContact CD1-CB 3.67Å; L659-Q667 HydrophobicContact CD1-CG 4.18Å; L659-Q667 HydrophobicContact CG-CB 4.01Å; L659-Q667 HydrophobicContact CG-CG 4.44Å; Y662-Q667 HydrophobicContact CD1-CG 4.36Å; Y662-Q667 HydrophobicContact CD2-CG 3.89Å; Y662-Q667 HydrophobicContact CG-CG 3.76Å; T665-Q667 PolarHBondContact O-N 2.89Å; T665-Q667 PolarHBondContact OG1-NE2 2.78Å
668	N	95.9	Very high	94	Very high	31 Å²	31	33.1 Å²	33.1	17%	0.166	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.6	178.1	-56.8	-47	0	0	0	111.1	R643 K654 G655	R643-N668 WeakPolarHBondContact CB-O 3.46Å; R643-N668 PolarHBondContact N-O 3.08Å; K654-N668 WeakPolarHBondContact CE-OD1 3.33Å; K654-N668 HydrophobicContact CG-CB 4.35Å; G655-N668 WeakPolarHBondContact O-CA 3.43Å
669	V	96.8	Very high	93.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.5	-178.6	-69.2	0	0	0	0	111.9	D644 K654 G655 A657 L659 C673 F674	D644-V669 HydrophobicContact CB-CG1 4.22Å; K654-V669 CarbonylContact C-O 3.52Å; K654-V669 WeakPolarHBondContact CA-O 3.46Å; G655-V669 PolarHBondContact N-O 2.87Å; G655-V669 PolarHBondContact O-N 2.91Å; A657-V669 HydrophobicContact CB-CG1 4.34Å; A657-V669 HydrophobicContact CB-CG2 3.89Å; L659-V669 HydrophobicContact CD1-CG1 4.21Å; L659-V669 HydrophobicContact CD2-CG1 4.15Å; L659-V669 HydrophobicContact CG-CG1 4.44Å; V669-C673 HydrophobicContact CB-CB 4.11Å; V669-C673 HydrophobicContact CG1-CB 4.38Å; V669-F674 HydrophobicContact CG2-CB 3.83Å; V669-F674 HydrophobicContact CG2-CD2 4.18Å
670	C	97	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.			trans	-76	171.3	165.8	62.5	0	0	0	0	110.4	M626 C642 I649 C653 C673 F674 H729	M626-C670 HydrophobicContact CE-CB 4.1Å; M626-C670 HydrophobicContact SD-CB 3.79Å; C642-C670 HydrophobicContact CB-CB 4.18Å; C642-C670 PolarHBondContact SG-N 2.84Å; C642-C670 VanDerWaalsContact SG-N 3.38Å; I649-C670 VanDerWaalsContact CD1-CA 3.5Å; I649-C670 HydrophobicContact CD1-CB 3.85Å; I649-C670 HydrophobicContact CG2-CB 3.87Å; C653-C670 CarbonylContact O-C 3.4Å; C653-C670 WeakPolarHBondContact O-CA 3.45Å; C670-C673 PolarHBondContact O-N 3.16Å; C670-C673 VanDerWaalsContact SG-CB 3.54Å; C670-C673 PolarHBondContact SG-N 2.99Å; C670-C673 VanDerWaalsContact SG-N 3.42Å; C670-C673 PolarHBondContact SG-SG 2.71Å; C670-F674 WeakPolarHBondContact O-CB 3.18Å; C670-F674 PolarHBondContact O-N 3.04Å; C670-H729 PolarHBondContact SG-NE2 2.68Å
671	S	96	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-46.6	179.1	-168	0	0	0	0	113.1	C653 C673 F674 D675 N724 Y725 G726 F727	C653-S671 PolarHBondContact O-N 3.01Å; S671-C673 PolarHBondContact O-N 3.39Å; S671-F674 WeakPolarHBondContact O-CA 3.47Å; S671-F674 WeakPolarHBondContact O-CB 3.4Å; S671-F674 PolarHBondContact O-N 3.33Å; S671-D675 VanDerWaalsContact O-CG 3.3Å; S671-D675 PolarHBondContact O-N 2.94Å; S671-N724 VanDerWaalsContact CB-O 3.26Å; S671-N724 WeakPolarHBondContact CB-O 3.3Å; S671-N724 PolarHBondContact OG-O 3.44Å; S671-N724 VanDerWaalsContact OG-O 3.12Å; S671-Y725 WeakPolarHBondContact OG-CA 3.49Å; S671-G726 PolarHBondContact OG-N 2.84Å; S671-F727 WeakPolarHBondContact CB-O 3.41Å; S671-F727 PolarHBondContact OG-N 2.85Å
672	E	95.8	Very high	94.3	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-42.3	-179.3	-168.9	-167.3	108.6	0	0	112.9	M626 F674 D675 R676 F727 H729	M626-E672 HydrophobicContact CE-CB 4.36Å; E672-F674 VanDerWaalsContact C-N 3.33Å; E672-D675 PolarHBondContact O-N 2.71Å; E672-R676 WeakPolarHBondContact O-CB 3.24Å; E672-R676 PolarHBondContact O-N 2.95Å; E672-R676 IonicContact OE1-CZ 3.23Å; E672-R676 IonicContact OE1-NH2 2.72Å; E672-R676 PolarHBondContact OE1-NH2 3.42Å; E672-F727 PolarHBondContact N-O 2.83Å; E672-H729 IonicContact OE1-CE1 2.6Å; E672-H729 PolarHBondContact OE1-CE1 2.87Å; E672-H729 VanDerWaalsContact OE1-CE1 3.27Å; E672-H729 IonicContact OE1-ND1 3.97Å; E672-H729 PolarHBondContact OE1-ND1 3.25Å; E672-H729 IonicContact OE2-CE1 4Å; E672-H729 IonicContact OE2-CG 4Å; E672-H729 PolarHBondContact OE2-N 2.92Å; E672-H729 VanDerWaalsContact OE2-N 3.08Å; E672-H729 IonicContact OE2-ND1 3.2Å; E672-H729 PolarHBondContact OE2-ND1 2.65Å
673	C	96.4	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-34.2	174	-67.8	0	0	0	0	111.6	D644 C645 V669 C670 S671 R676 H677	D644-C673 HydrophobicContact CB-CB 4.03Å; D644-C673 PolarHBondContact OD2-SG 2.72Å; C645-C673 VanDerWaalsContact SG-SG 3.7Å; V669-C673 HydrophobicContact CB-CB 4.11Å; V669-C673 HydrophobicContact CG1-CB 4.38Å; C670-C673 PolarHBondContact O-N 3.16Å; C670-C673 VanDerWaalsContact SG-CB 3.54Å; C670-C673 PolarHBondContact SG-N 2.99Å; C670-C673 VanDerWaalsContact SG-N 3.42Å; C670-C673 PolarHBondContact SG-SG 2.71Å; S671-C673 PolarHBondContact O-N 3.39Å; C673-R676 PolarHBondContact O-N 3.15Å; C673-R676 PolarHBondContact SG-NH1 3.27Å; C673-H677 PolarHBondContact O-CD2 3.47Å; C673-H677 PolarHBondContact O-N 3.37Å
674	F	97.4	Very high	94.3	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-50.8	171.6	-178	-87.1	0	0	0	111	Q656 A657 V669 C670 S671 E672 R676 H677 Y678 F719 K720 A721 Y725	Q656-F674 WeakPolarHBondContact O-CD2 3.4Å; Q656-F674 VanDerWaalsContact O-CE2 3.25Å; Q656-F674 WeakPolarHBondContact O-CE2 3.3Å; A657-F674 HydrophobicContact CB-CD2 4.34Å; V669-F674 HydrophobicContact CG2-CB 3.83Å; V669-F674 HydrophobicContact CG2-CD2 4.18Å; C670-F674 WeakPolarHBondContact O-CB 3.18Å; C670-F674 PolarHBondContact O-N 3.04Å; S671-F674 WeakPolarHBondContact O-CA 3.47Å; S671-F674 WeakPolarHBondContact O-CB 3.4Å; S671-F674 PolarHBondContact O-N 3.33Å; E672-F674 VanDerWaalsContact C-N 3.33Å; F674-R676 VanDerWaalsContact C-N 3.28Å; F674-R676 PolarHBondContact O-N 3.03Å; F674-H677 PolarHBondContact O-N 3.04Å; F674-Y678 HydrophobicContact CE1-CD1 4.29Å; F674-Y678 HydrophobicContact CE1-CG 4.08Å; F674-Y678 HydrophobicContact CZ-CD2 4.5Å; F674-Y678 HydrophobicContact CZ-CG 4.34Å; F674-Y678 WeakPolarHBondContact O-CB 3.4Å; F674-Y678 PolarHBondContact O-N 3.33Å; F674-F719 HydrophobicContact CD2-CD1 4.42Å; F674-F719 HydrophobicContact CE2-CB 3.96Å; F674-F719 AromaticContact CE2-CD1 3.71Å; F674-F719 HydrophobicContact CE2-CD1 3.71Å; F674-F719 HydrophobicContact CE2-CG 4.33Å; F674-F719 HydrophobicContact CZ-CB 4.13Å; F674-F719 HydrophobicContact CZ-CD1 4.02Å; F674-K720 VanDerWaalsContact CE2-C 3.43Å; F674-K720 VanDerWaalsContact CE2-O 3.27Å; F674-K720 WeakPolarHBondContact CE2-O 3.45Å; F674-A721 HydrophobicContact CE1-CB 4.07Å; F674-A721 HydrophobicContact CZ-CB 4Å; F674-Y725 HydrophobicContact CD1-CD2 4.16Å; F674-Y725 AromaticContact CD1-CE2 3.74Å; F674-Y725 HydrophobicContact CD1-CE2 3.74Å; F674-Y725 HydrophobicContact CE1-CD2 4.28Å; F674-Y725 AromaticContact CE1-CE2 3.76Å; F674-Y725 HydrophobicContact CE1-CE2 3.76Å
675	D	95.7	Very high	94.2	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-44.5	177.1	-60.1	-8.5	0	0	0	111.1	S671 E672 Y678 K679 Y725 R728	S671-D675 VanDerWaalsContact O-CG 3.3Å; S671-D675 PolarHBondContact O-N 2.94Å; E672-D675 PolarHBondContact O-N 2.71Å; D675-Y678 PolarHBondContact O-N 3.21Å; D675-K679 VanDerWaalsContact O-CB 3.28Å; D675-K679 WeakPolarHBondContact O-CB 3.23Å; D675-K679 PolarHBondContact O-N 2.82Å; D675-Y725 VanDerWaalsContact OD1-CE2 3.23Å; D675-Y725 WeakPolarHBondContact OD1-CE2 3.22Å; D675-R728 IonicContact OD2-CZ 3.26Å; D675-R728 IonicContact OD2-NH1 3.57Å; D675-R728 PolarHBondContact OD2-NH1 2.83Å; D675-R728 IonicContact OD2-NH2 2.7Å
676	R	95.7	Very high	94.1	Very high	113 Å²	113	49.5 Å²	49.5	43%	0.426	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-49.2	-178.6	-161.4	-172.3	-56.9	141.3	-2.8	112.1	D644 E672 C673 F674 A680	D644-R676 IonicContact OD2-NH1 2.85Å; D644-R676 PolarHBondContact OD2-NH1 3.06Å; E672-R676 WeakPolarHBondContact O-CB 3.24Å; E672-R676 PolarHBondContact O-N 2.95Å; E672-R676 IonicContact OE1-CZ 3.23Å; E672-R676 IonicContact OE1-NH2 2.72Å; E672-R676 PolarHBondContact OE1-NH2 3.42Å; C673-R676 PolarHBondContact O-N 3.15Å; C673-R676 PolarHBondContact SG-NH1 3.27Å; F674-R676 VanDerWaalsContact C-N 3.28Å; F674-R676 PolarHBondContact O-N 3.03Å; R676-A680 WeakPolarHBondContact O-CB 3.39Å; R676-A680 PolarHBondContact O-N 3Å
677	H	95.6	Very high	93.9	Very high	23 Å²	23	46.7 Å²	46.7	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-73.7	-34.5	178.4	-68.8	-61.1	0	0	0	112.3	D644 A657 L659 C673 F674 A680 Y681 F719	D644-H677 VanDerWaalsContact CG-NE2 3.28Å; D644-H677 IonicContact OD1-NE2 3.14Å; D644-H677 IonicContact OD2-CD2 3.14Å; D644-H677 IonicContact OD2-CE1 2.95Å; D644-H677 IonicContact OD2-NE2 2.78Å; D644-H677 PolarHBondContact OD2-NE2 3.36Å; A657-H677 HydrophobicContact CB-CB 4.1Å; L659-H677 VanDerWaalsContact CD2-CD2 3.49Å; L659-H677 WeakPolarHBondContact CD2-CD2 3.45Å; L659-H677 VanDerWaalsContact CD2-NE2 3.32Å; L659-H677 WeakPolarHBondContact CD2-NE2 3.39Å; C673-H677 PolarHBondContact O-CD2 3.47Å; C673-H677 PolarHBondContact O-N 3.37Å; F674-H677 PolarHBondContact O-N 3.04Å; H677-A680 PolarHBondContact O-N 3.37Å; H677-Y681 PolarHBondContact O-N 3.11Å; H677-F719 HydrophobicContact CB-CE1 4.44Å
678	Y	94.7	Very high	93.5	Very high	72 Å²	72	46.9 Å²	46.9	28%	0.282	24%	0.238	S	C	.	.	H	α-helix	trans	-70.5	-34.9	176.9	-173.5	-119.4	0	0	0	112.3	F674 D675 Y681 K682 F719	F674-Y678 HydrophobicContact CE1-CD1 4.29Å; F674-Y678 HydrophobicContact CE1-CG 4.08Å; F674-Y678 HydrophobicContact CZ-CD2 4.5Å; F674-Y678 HydrophobicContact CZ-CG 4.34Å; F674-Y678 WeakPolarHBondContact O-CB 3.4Å; F674-Y678 PolarHBondContact O-N 3.33Å; D675-Y678 PolarHBondContact O-N 3.21Å; Y678-Y681 HydrophobicContact CD2-CD1 4.12Å; Y678-Y681 HydrophobicContact CE2-CD1 4.11Å; Y678-Y681 HydrophobicContact CE2-CE1 4.48Å; Y678-Y681 PolarHBondContact O-N 3.4Å; Y678-K682 HydrophobicContact CE1-CD 4.33Å; Y678-K682 VanDerWaalsContact CE1-CE 3.49Å; Y678-K682 PolarHBondContact O-N 2.61Å; Y678-K682 VanDerWaalsContact O-N 3.1Å; Y678-K682 WeakPolarHBondContact OH-CE 3.4Å; Y678-F719 AromaticContact CD2-CD1 3.9Å; Y678-F719 HydrophobicContact CD2-CD1 3.9Å; Y678-F719 HydrophobicContact CD2-CD2 4.41Å; Y678-F719 HydrophobicContact CD2-CE1 4.04Å; Y678-F719 HydrophobicContact CD2-CG 4.1Å; Y678-F719 HydrophobicContact CD2-CZ 4.37Å
679	K	94.4	Very high	93	Very high	129 Å²	129	50.1 Å²	50.1	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-63.6	-51	167.2	178.2	172.1	176.2	179.2	0	111	D675 Y681 K682 D683	D675-K679 VanDerWaalsContact O-CB 3.28Å; D675-K679 WeakPolarHBondContact O-CB 3.23Å; D675-K679 PolarHBondContact O-N 2.82Å; K679-Y681 PolarHBondContact O-N 2.69Å; K679-Y681 VanDerWaalsContact O-N 3.11Å; K679-K682 PolarHBondContact O-N 3.23Å; K679-D683 WeakPolarHBondContact CE-OD2 3.39Å; K679-D683 VanDerWaalsContact CG-OD2 3.29Å; K679-D683 WeakPolarHBondContact CG-OD2 3.28Å; K679-D683 WeakPolarHBondContact O-CB 3.31Å; K679-D683 VanDerWaalsContact O-CG 3.27Å; K679-D683 PolarHBondContact O-N 2.62Å
680	A	93	Very high	92.4	Very high	20 Å²	20	58.2 Å²	58.2	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-29.2	177.7	0	0	0	0	0	113.4	R676 H677 G684 V685 L686	R676-A680 WeakPolarHBondContact O-CB 3.39Å; R676-A680 PolarHBondContact O-N 3Å; H677-A680 PolarHBondContact O-N 3.37Å; A680-G684 PolarHBondContact O-N 3.26Å; A680-V685 HydrophobicContact CB-CG2 4.04Å; A680-V685 WeakPolarHBondContact O-CG2 3.48Å; A680-V685 PolarHBondContact O-N 2.97Å; A680-L686 HydrophobicContact CB-CB 4.03Å; A680-L686 HydrophobicContact CB-CD1 4.22Å; A680-L686 PolarHBondContact O-N 3.29Å
681	Y	92.8	Very high	91.8	Very high	56 Å²	56	59.7 Å²	59.7	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-71	-47	171.1	167.5	-120.5	0	0	0	112.6	H677 Y678 K679 D683 G684 F687 P715 R716 F719	H677-Y681 PolarHBondContact O-N 3.11Å; Y678-Y681 HydrophobicContact CD2-CD1 4.12Å; Y678-Y681 HydrophobicContact CE2-CD1 4.11Å; Y678-Y681 HydrophobicContact CE2-CE1 4.48Å; Y678-Y681 PolarHBondContact O-N 3.4Å; K679-Y681 PolarHBondContact O-N 2.69Å; K679-Y681 VanDerWaalsContact O-N 3.11Å; Y681-D683 VanDerWaalsContact C-N 3.3Å; Y681-D683 PolarHBondContact O-N 3.4Å; Y681-G684 PolarHBondContact O-N 2.7Å; Y681-G684 VanDerWaalsContact O-N 3.1Å; Y681-F687 HydrophobicContact CD2-CD2 4.3Å; Y681-F687 AromaticContact CD2-CE2 3.84Å; Y681-F687 HydrophobicContact CD2-CE2 3.84Å; Y681-F687 HydrophobicContact CE2-CE2 4.37Å; Y681-P715 HydrophobicContact CD2-CB 4.44Å; Y681-P715 HydrophobicContact CE2-CB 3.78Å; Y681-P715 HydrophobicContact CE2-CG 3.86Å; Y681-R716 WeakPolarHBondContact OH-CG 3.36Å; Y681-F719 HydrophobicContact CD1-CD2 4.36Å; Y681-F719 AromaticContact CD1-CE2 3.71Å; Y681-F719 HydrophobicContact CD1-CE2 3.71Å; Y681-F719 HydrophobicContact CD1-CZ 4.15Å; Y681-F719 HydrophobicContact CD2-CE2 4.4Å; Y681-F719 HydrophobicContact CE1-CE2 4.31Å; Y681-F719 AromaticContact CG-CE2 3.76Å; Y681-F719 HydrophobicContact CG-CE2 3.76Å; Y681-F719 AromaticContact CG-CZ 3.99Å; Y681-F719 HydrophobicContact CG-CZ 3.99Å
682	K	90.6	Very high	91.3	Very high	144 Å²	144	62.9 Å²	62.9	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-61.4	-38.4	175.3	-76.1	-175	171.7	-176.4	0	112.8	Y678 K679 G684	Y678-K682 HydrophobicContact CE1-CD 4.33Å; Y678-K682 VanDerWaalsContact CE1-CE 3.49Å; Y678-K682 PolarHBondContact O-N 2.61Å; Y678-K682 VanDerWaalsContact O-N 3.1Å; Y678-K682 WeakPolarHBondContact OH-CE 3.4Å; K679-K682 PolarHBondContact O-N 3.23Å; K682-G684 PolarHBondContact O-N 2.95Å
683	D	91.6	Very high	90.8	Very high	93 Å²	93	63.1 Å²	63.1	50%	0.497	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.1	177.9	-60.6	-5.3	0	0	0	112.2	K679 Y681 V685	K679-D683 WeakPolarHBondContact CE-OD2 3.39Å; K679-D683 VanDerWaalsContact CG-OD2 3.29Å; K679-D683 WeakPolarHBondContact CG-OD2 3.28Å; K679-D683 WeakPolarHBondContact O-CB 3.31Å; K679-D683 VanDerWaalsContact O-CG 3.27Å; K679-D683 PolarHBondContact O-N 2.62Å; Y681-D683 VanDerWaalsContact C-N 3.3Å; Y681-D683 PolarHBondContact O-N 3.4Å; D683-V685 HydrophobicContact CB-CG2 4.22Å; D683-V685 PolarHBondContact O-N 3.32Å
684	G	87.1	Confident	90.2	Very high	49 Å²	49	68 Å²	68	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-2.8	176.9	0	0	0	0	0	115.9	A680 Y681 K682	A680-G684 PolarHBondContact O-N 3.26Å; Y681-G684 PolarHBondContact O-N 2.7Å; Y681-G684 VanDerWaalsContact O-N 3.1Å; K682-G684 PolarHBondContact O-N 2.95Å
685	V	90.3	Very high	89.5	Confident	111 Å²	111	72.1 Å²	72.1	67%	0.673	37%	0.373	S	S	*	.			trans	-91.4	-12	-170.9	-63.3	0	0	0	0	115.1	A680 D683	A680-V685 HydrophobicContact CB-CG2 4.04Å; A680-V685 WeakPolarHBondContact O-CG2 3.48Å; A680-V685 PolarHBondContact O-N 2.97Å; D683-V685 HydrophobicContact CB-CG2 4.22Å; D683-V685 PolarHBondContact O-N 3.32Å
686	L	89.2	Confident	88.5	Confident	19 Å²	19	77.8 Å²	77.8	10%	0.099	41%	0.414	C	S	.	.	S	Bend	trans	-66.5	-38.8	-174.4	-176	62.8	0	0	0	113.8	P658 F664 A680 F719	P658-L686 HydrophobicContact CG-CD2 3.98Å; F664-L686 WeakPolarHBondContact CE1-O 3.37Å; A680-L686 HydrophobicContact CB-CB 4.03Å; A680-L686 HydrophobicContact CB-CD1 4.22Å; A680-L686 PolarHBondContact O-N 3.29Å; L686-F719 HydrophobicContact CD2-CZ 3.84Å
687	F	90.5	Very high	87.7	Confident	12 Å²	12	77 Å²	77	5%	0.053	42%	0.418	C	S	.	.	S	Bend	trans	-105.7	123.8	-175	-62.8	-78.9	0	0	0	110.8	P658 F664 Y681 M692 V702 P715 L718	P658-F687 HydrophobicContact CB-CE1 4.35Å; P658-F687 HydrophobicContact CB-CZ 4.29Å; P658-F687 HydrophobicContact CG-CE1 4.34Å; P658-F687 HydrophobicContact CG-CZ 3.81Å; F664-F687 HydrophobicContact CB-CD1 4.45Å; F664-F687 HydrophobicContact CB-CE1 4.13Å; F664-F687 AromaticContact CD1-CD1 3.91Å; F664-F687 HydrophobicContact CD1-CD1 3.91Å; F664-F687 HydrophobicContact CD1-CE1 4.03Å; F664-F687 HydrophobicContact CE1-CD1 4.45Å; F664-F687 HydrophobicContact CG-CD1 4.21Å; F664-F687 HydrophobicContact CG-CE1 4.3Å; Y681-F687 HydrophobicContact CD2-CD2 4.3Å; Y681-F687 AromaticContact CD2-CE2 3.84Å; Y681-F687 HydrophobicContact CD2-CE2 3.84Å; Y681-F687 HydrophobicContact CE2-CE2 4.37Å; F687-M692 HydrophobicContact CB-CG 4.11Å; F687-M692 HydrophobicContact CB-SD 4.43Å; F687-V702 HydrophobicContact CB-CG1 4.27Å; F687-V702 HydrophobicContact CD1-CB 4.16Å; F687-V702 HydrophobicContact CD1-CG1 3.87Å; F687-V702 HydrophobicContact CD1-CG2 4.45Å; F687-V702 HydrophobicContact CD2-CG1 3.96Å; F687-V702 HydrophobicContact CE1-CB 4.18Å; F687-V702 HydrophobicContact CE1-CG1 4.13Å; F687-V702 HydrophobicContact CE1-CG2 3.97Å; F687-V702 HydrophobicContact CE2-CG1 4.22Å; F687-V702 HydrophobicContact CG-CG1 3.77Å; F687-V702 HydrophobicContact CZ-CG1 4.29Å; F687-V702 HydrophobicContact CZ-CG2 4.12Å; F687-P715 HydrophobicContact CE2-CB 3.7Å; F687-P715 HydrophobicContact CZ-CB 3.93Å; F687-L718 HydrophobicContact CE1-CD1 4.26Å; F687-L718 HydrophobicContact CZ-CD1 4.07Å
688	P	87.8	Confident	86.6	Confident	47 Å²	47	84.2 Å²	84.2	31%	0.305	45%	0.452	S	S	.	.			trans	-59.5	140.1	172.6	-24	34.3	0	0	0	111.2	F664 K690 N691	F664-P688 HydrophobicContact CE2-CG 4.24Å; F664-P688 VanDerWaalsContact CZ-CD 3.45Å; F664-P688 HydrophobicContact CZ-CG 3.98Å; P688-K690 HydrophobicContact CB-CD 4.42Å; P688-K690 HydrophobicContact CB-CG 3.81Å; P688-K690 PolarHBondContact O-N 3.13Å; P688-N691 WeakPolarHBondContact O-CA 3.35Å; P688-N691 WeakPolarHBondContact O-CB 3.48Å; P688-N691 PolarHBondContact O-N 2.84Å
689	S	84.9	Confident	85.9	Confident	99 Å²	99	83.5 Å²	83.5	69%	0.692	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.7	-175.1	-35.4	0	0	0	0	113.8	N691 M692	S689-N691 PolarHBondContact O-N 3.25Å; S689-M692 PolarHBondContact O-N 3.24Å
690	K	83.9	Confident	85.4	Confident	171 Å²	171	81.4 Å²	81.4	74%	0.743	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-59.7	-18.3	172.4	58	166.7	-172.9	-174.5	0	115.3	P688	P688-K690 HydrophobicContact CB-CD 4.42Å; P688-K690 HydrophobicContact CB-CG 3.81Å; P688-K690 PolarHBondContact O-N 3.13Å
691	N	84.3	Confident	85.1	Confident	31 Å²	31	82.2 Å²	82.2	17%	0.166	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-98.8	-15.8	176.5	-75.2	64.5	0	0	0	112	P688 S689 V702 K703	P688-N691 WeakPolarHBondContact O-CA 3.35Å; P688-N691 WeakPolarHBondContact O-CB 3.48Å; P688-N691 PolarHBondContact O-N 2.84Å; S689-N691 PolarHBondContact O-N 3.25Å; N691-V702 WeakPolarHBondContact O-CA 3.46Å; N691-K703 PolarHBondContact ND2-O 3.26Å; N691-K703 PolarHBondContact O-N 3.45Å
692	M	85.8	Confident	85	Confident	67 Å²	67	79.6 Å²	79.6	33%	0.33	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.3	178.9	-62	-163.7	-79.3	0	0	111.5	F687 S689 I700 L701 V702	F687-M692 HydrophobicContact CB-CG 4.11Å; F687-M692 HydrophobicContact CB-SD 4.43Å; S689-M692 PolarHBondContact O-N 3.24Å; M692-I700 HydrophobicContact CB-CG2 4.35Å; M692-I700 HydrophobicContact CG-CG2 4.48Å; M692-I700 HydrophobicContact SD-CG2 4.2Å; M692-L701 CarbonylContact C-O 3.59Å; M692-V702 HydrophobicContact CG-CG1 4.38Å
693	I	85.3	Confident	84.9	Confident	44 Å²	44	76.7 Å²	76.7	23%	0.226	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.7	170	-42.6	176	0	0	0	106.3	I700 L701 K703 I712	I693-I700 WeakPolarHBondContact O-CA 3.04Å; I693-L701 HydrophobicContact CB-CB 4.41Å; I693-L701 PolarHBondContact N-O 3.34Å; I693-L701 PolarHBondContact O-N 3.02Å; I693-K703 HydrophobicContact CD1-CD 4.31Å; I693-K703 VanDerWaalsContact CD1-CE 3.44Å; I693-K703 HydrophobicContact CD1-CG 3.98Å; I693-K703 HydrophobicContact CG1-CD 4.34Å; I693-K703 HydrophobicContact CG1-CG 4.19Å; I693-I712 HydrophobicContact CD1-CD1 3.82Å; I693-I712 HydrophobicContact CD1-CG1 4.1Å; I693-I712 HydrophobicContact CD1-CG2 3.68Å
694	V	83.5	Confident	84.8	Confident	103 Å²	103	72.5 Å²	72.5	62%	0.624	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	127.8	169	-172.4	0	0	0	0	107.3	T699 I700	V694-T699 WeakPolarHBondContact CA-O 3.41Å; V694-I700 HydrophobicContact CG2-CG1 4.48Å
695	Q	82.1	Confident	84.7	Confident	93 Å²	93	71.2 Å²	71.2	44%	0.435	39%	0.392	S	S	.	.			trans	-91.8	169.9	174.7	-58.9	-161.8	-83.7	0	0	110.8	D697 E698 T699 L701	Q695-D697 VanDerWaalsContact CB-OD1 3.3Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.5Å; Q695-D697 PolarHBondContact O-N 2.94Å; Q695-D697 VanDerWaalsContact O-N 3.14Å; Q695-E698 PolarHBondContact O-N 3.41Å; Q695-T699 PolarHBondContact N-O 3.01Å; Q695-T699 PolarHBondContact OE1-OG1 2.9Å; Q695-L701 HydrophobicContact CG-CD1 4.33Å
696	S	75.1	Confident	84.3	Confident	137 Å²	137	72.8 Å²	72.8	96%	0.958	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.5	-176.5	51.1	0	0	0	0	114.9
697	D	78.3	Confident	83.5	Confident	97 Å²	97	82.6 Å²	82.6	52%	0.519	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	20.6	177	65.1	-9.1	0	0	0	112.2	Q695 T699	Q695-D697 VanDerWaalsContact CB-OD1 3.3Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.5Å; Q695-D697 PolarHBondContact O-N 2.94Å; Q695-D697 VanDerWaalsContact O-N 3.14Å; D697-T699 PolarHBondContact O-N 2.88Å; D697-T699 VanDerWaalsContact O-N 3.11Å; D697-T699 WeakPolarHBondContact OD1-CB 3.18Å; D697-T699 WeakPolarHBondContact OD1-CG2 3.48Å; D697-T699 PolarHBondContact OD1-N 3.36Å; D697-T699 VanDerWaalsContact OD1-N 3.08Å; D697-T699 PolarHBondContact OD1-OG1 3.23Å; D697-T699 WeakPolarHBondContact OD2-CG2 3.47Å; D697-T699 PolarHBondContact OD2-OG1 3.42Å
698	E	72.9	Confident	82.6	Confident	174 Å²	174	89.9 Å²	89.9	81%	0.813	47%	0.465	S	S	*	.	S	Bend	trans	62.7	4.1	-174.2	-52.6	-170	151.3	0	0	115.4	Q695	Q695-E698 PolarHBondContact O-N 3.41Å
699	T	79.8	Confident	82.1	Confident	57 Å²	57	93.7 Å²	93.7	35%	0.35	48%	0.483	S	S	.	.			trans	-72.8	144	177.8	66.8	0	0	0	0	112.1	V694 Q695 D697	V694-T699 WeakPolarHBondContact CA-O 3.41Å; Q695-T699 PolarHBondContact N-O 3.01Å; Q695-T699 PolarHBondContact OE1-OG1 2.9Å; D697-T699 PolarHBondContact O-N 2.88Å; D697-T699 VanDerWaalsContact O-N 3.11Å; D697-T699 WeakPolarHBondContact OD1-CB 3.18Å; D697-T699 WeakPolarHBondContact OD1-CG2 3.48Å; D697-T699 PolarHBondContact OD1-N 3.36Å; D697-T699 VanDerWaalsContact OD1-N 3.08Å; D697-T699 PolarHBondContact OD1-OG1 3.23Å; D697-T699 WeakPolarHBondContact OD2-CG2 3.47Å; D697-T699 PolarHBondContact OD2-OG1 3.42Å
700	I	83.8	Confident	82	Confident	86 Å²	86	95.1 Å²	95.1	44%	0.441	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.3	-177.4	-53.2	179.5	0	0	0	109.8	M692 I693 V694 P715	M692-I700 HydrophobicContact CB-CG2 4.35Å; M692-I700 HydrophobicContact CG-CG2 4.48Å; M692-I700 HydrophobicContact SD-CG2 4.2Å; I693-I700 WeakPolarHBondContact O-CA 3.04Å; V694-I700 HydrophobicContact CG2-CG1 4.48Å; I700-P715 WeakPolarHBondContact O-CD 3.38Å
701	L	88.3	Confident	82.2	Confident	37 Å²	37	92.5 Å²	92.5	19%	0.194	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	155.9	171.6	-58.4	179.7	0	0	0	110.5	M692 I693 Q695 I712 D714	M692-L701 CarbonylContact C-O 3.59Å; I693-L701 HydrophobicContact CB-CB 4.41Å; I693-L701 PolarHBondContact N-O 3.34Å; I693-L701 PolarHBondContact O-N 3.02Å; Q695-L701 HydrophobicContact CG-CD1 4.33Å; L701-I712 HydrophobicContact CB-CG2 3.82Å; L701-I712 HydrophobicContact CD1-CG2 3.84Å; L701-I712 HydrophobicContact CG-CG2 4.46Å; L701-D714 HydrophobicContact CD2-CB 4.23Å
702	V	90.4	Very high	82.5	Confident	1 Å²	1	95.5 Å²	95.5	1%	0.006	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	178.8	-66.8	0	0	0	0	112.3	F687 N691 M692 I704 I712 V713 P715 L718	F687-V702 HydrophobicContact CB-CG1 4.27Å; F687-V702 HydrophobicContact CD1-CB 4.16Å; F687-V702 HydrophobicContact CD1-CG1 3.87Å; F687-V702 HydrophobicContact CD1-CG2 4.45Å; F687-V702 HydrophobicContact CD2-CG1 3.96Å; F687-V702 HydrophobicContact CE1-CB 4.18Å; F687-V702 HydrophobicContact CE1-CG1 4.13Å; F687-V702 HydrophobicContact CE1-CG2 3.97Å; F687-V702 HydrophobicContact CE2-CG1 4.22Å; F687-V702 HydrophobicContact CG-CG1 3.77Å; F687-V702 HydrophobicContact CZ-CG1 4.29Å; F687-V702 HydrophobicContact CZ-CG2 4.12Å; N691-V702 WeakPolarHBondContact O-CA 3.46Å; M692-V702 HydrophobicContact CG-CG1 4.38Å; V702-I704 HydrophobicContact CB-CG2 4.46Å; V702-I704 HydrophobicContact CG2-CG2 4Å; V702-I712 WeakPolarHBondContact O-CA 3.33Å; V702-V713 WeakPolarHBondContact CG2-O 3.24Å; V702-V713 PolarHBondContact N-O 2.91Å; V702-V713 PolarHBondContact O-N 3.06Å; V702-P715 HydrophobicContact CG1-CB 4.13Å; V702-P715 HydrophobicContact CG1-CG 4.24Å; V702-P715 HydrophobicContact CG2-CB 3.83Å; V702-P715 HydrophobicContact CG2-CG 4.42Å; V702-L718 HydrophobicContact CG2-CD1 3.8Å
703	K	88.9	Confident	82.7	Confident	83 Å²	83	93.1 Å²	93.1	36%	0.361	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119	168.8	-67.1	171.8	-179.3	167	0	108.7	N691 I693 E711 I712	N691-K703 PolarHBondContact ND2-O 3.26Å; N691-K703 PolarHBondContact O-N 3.45Å; I693-K703 HydrophobicContact CD1-CD 4.31Å; I693-K703 VanDerWaalsContact CD1-CE 3.44Å; I693-K703 HydrophobicContact CD1-CG 3.98Å; I693-K703 HydrophobicContact CG1-CD 4.34Å; I693-K703 HydrophobicContact CG1-CG 4.19Å; K703-E711 WeakPolarHBondContact CA-O 3.21Å; K703-I712 HydrophobicContact CG-CG1 4.16Å
704	I	88.5	Confident	82.9	Confident	5 Å²	5	93.2 Å²	93.2	3%	0.026	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	166.6	177.8	67.6	175.5	0	0	0	110.4	F664 V702 K710 E711 V713 L718	F664-I704 HydrophobicContact CB-CB 4.29Å; F664-I704 HydrophobicContact CB-CG2 3.78Å; V702-I704 HydrophobicContact CB-CG2 4.46Å; V702-I704 HydrophobicContact CG2-CG2 4Å; I704-K710 VanDerWaalsContact O-CA 3.28Å; I704-K710 WeakPolarHBondContact O-CA 3.27Å; I704-E711 HydrophobicContact CD1-CB 4.46Å; I704-E711 HydrophobicContact CG1-CB 3.92Å; I704-E711 PolarHBondContact N-O 3.3Å; I704-E711 PolarHBondContact O-N 2.94Å; I704-V713 HydrophobicContact CD1-CB 4.44Å; I704-V713 HydrophobicContact CD1-CG2 3.73Å; I704-V713 HydrophobicContact CG1-CG2 4.09Å; I704-L718 HydrophobicContact CD1-CD1 4.2Å; I704-L718 HydrophobicContact CD1-CD2 3.63Å; I704-L718 HydrophobicContact CG2-CD1 3.95Å
705	G	84.1	Confident	83.1	Confident	21 Å²	21	88.5 Å²	88.5	22%	0.216	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.3	178.2	-179.9	0	0	0	0	0	114.2	D663 D709	D663-G705 PolarHBondContact O-N 3.45Å; G705-D709 CarbonylContact C-O 3.51Å; G705-D709 WeakPolarHBondContact CA-O 3.31Å
706	K	81.9	Confident	83.4	Confident	144 Å²	144	92.9 Å²	92.9	63%	0.626	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	166.7	-171.1	-73.4	-179.4	178.6	178.7	0	111.6	D663 N708 D709 K710	D663-K706 VanDerWaalsContact OD2-CG 3.22Å; D663-K706 WeakPolarHBondContact OD2-CG 3.34Å; K706-N708 PolarHBondContact O-N 3.43Å; K706-D709 PolarHBondContact N-O 3.32Å; K706-D709 CarbonylContact O-C 3.58Å; K706-D709 VanDerWaalsContact O-C 3.28Å; K706-D709 PolarHBondContact O-N 2.94Å; K706-D709 VanDerWaalsContact O-O 3.07Å; K706-K710 WeakPolarHBondContact O-CG 3.22Å
707	R	73.5	Confident	84.2	Confident	226 Å²	226	93 Å²	93	85%	0.853	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-34.9	-177.2	-84	-172.6	174.8	179.1	-1.2	114.7	K710	R707-K710 WeakPolarHBondContact O-CE 3.47Å
708	N	71.8	Confident	84.9	Confident	165 Å²	165	88.8 Å²	88.8	88%	0.882	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.3	-174.2	-55.7	14.3	0	0	0	113.3	K706	K706-N708 PolarHBondContact O-N 3.43Å
709	D	77.7	Confident	85.9	Confident	127 Å²	127	81.5 Å²	81.5	68%	0.679	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	82.8	-173.4	-177.6	23.6	0	0	0	107.4	G705 K706	G705-D709 CarbonylContact C-O 3.51Å; G705-D709 WeakPolarHBondContact CA-O 3.31Å; K706-D709 PolarHBondContact N-O 3.32Å; K706-D709 CarbonylContact O-C 3.58Å; K706-D709 VanDerWaalsContact O-C 3.28Å; K706-D709 PolarHBondContact O-N 2.94Å; K706-D709 VanDerWaalsContact O-O 3.07Å
710	K	82.4	Confident	86.7	Confident	129 Å²	129	85 Å²	85	56%	0.561	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.1	-173.4	-66.8	-172.2	-172.9	171.3	0	111	I704 K706 R707	I704-K710 VanDerWaalsContact O-CA 3.28Å; I704-K710 WeakPolarHBondContact O-CA 3.27Å; K706-K710 WeakPolarHBondContact O-CG 3.22Å; R707-K710 WeakPolarHBondContact O-CE 3.47Å
711	E	88.8	Confident	87.3	Confident	116 Å²	116	83.6 Å²	83.6	54%	0.542	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.9	171.9	-151.4	-171.9	165	0	0	109.9	K703 I704 V713	K703-E711 WeakPolarHBondContact CA-O 3.21Å; I704-E711 HydrophobicContact CD1-CB 4.46Å; I704-E711 HydrophobicContact CG1-CB 3.92Å; I704-E711 PolarHBondContact N-O 3.3Å; I704-E711 PolarHBondContact O-N 2.94Å; E711-V713 HydrophobicContact CB-CG2 3.83Å; E711-V713 HydrophobicContact CG-CG2 3.5Å; E711-V713 WeakPolarHBondContact OE1-CG2 3.42Å
712	I	89.1	Confident	87.6	Confident	94 Å²	94	82.3 Å²	82.3	48%	0.482	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.2	169.5	-61.7	174.3	0	0	0	107	I693 L701 V702 K703	I693-I712 HydrophobicContact CD1-CD1 3.82Å; I693-I712 HydrophobicContact CD1-CG1 4.1Å; I693-I712 HydrophobicContact CD1-CG2 3.68Å; L701-I712 HydrophobicContact CB-CG2 3.82Å; L701-I712 HydrophobicContact CD1-CG2 3.84Å; L701-I712 HydrophobicContact CG-CG2 4.46Å; V702-I712 WeakPolarHBondContact O-CA 3.33Å; K703-I712 HydrophobicContact CG-CG1 4.16Å
713	V	89.6	Confident	87.8	Confident	16 Å²	16	87.6 Å²	87.6	10%	0.097	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-169.7	-162	0	0	0	0	110.7	V702 I704 E711 P715 K717 L718	V702-V713 WeakPolarHBondContact CG2-O 3.24Å; V702-V713 PolarHBondContact N-O 2.91Å; V702-V713 PolarHBondContact O-N 3.06Å; I704-V713 HydrophobicContact CD1-CB 4.44Å; I704-V713 HydrophobicContact CD1-CG2 3.73Å; I704-V713 HydrophobicContact CG1-CG2 4.09Å; E711-V713 HydrophobicContact CB-CG2 3.83Å; E711-V713 HydrophobicContact CG-CG2 3.5Å; E711-V713 WeakPolarHBondContact OE1-CG2 3.42Å; V713-P715 WeakPolarHBondContact O-CD 3.26Å; V713-K717 HydrophobicContact CG1-CB 4.18Å; V713-L718 HydrophobicContact CB-CD2 4.22Å; V713-L718 HydrophobicContact CG1-CD2 3.93Å; V713-L718 HydrophobicContact CG1-CG 4.47Å
714	D	89.6	Confident	88	Confident	46 Å²	46	85.2 Å²	85.2	25%	0.246	41%	0.411	C	S	.	.			trans	-61.5	118.4	161.9	160.5	17	0	0	0	108.9	L701 R716 K717	L701-D714 HydrophobicContact CD2-CB 4.23Å; D714-R716 PolarHBondContact O-N 2.82Å; D714-R716 VanDerWaalsContact OD1-CB 3.23Å; D714-R716 WeakPolarHBondContact OD1-CB 3.41Å; D714-R716 WeakPolarHBondContact OD1-CG 3.43Å; D714-R716 PolarHBondContact OD1-N 3.37Å; D714-K717 HydrophobicContact CB-CD 4Å; D714-K717 HydrophobicContact CB-CG 4.13Å; D714-K717 WeakPolarHBondContact O-CB 3.36Å; D714-K717 PolarHBondContact O-N 3.28Å; D714-K717 WeakPolarHBondContact OD2-CE 3.43Å
715	P	88.3	Confident	88.2	Confident	4 Å²	4	90.7 Å²	90.7	3%	0.026	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-59.2	-24	-176	22.1	-31.6	0	0	0	113.4	Y681 F687 I700 V702 V713 K717 L718 F719	Y681-P715 HydrophobicContact CD2-CB 4.44Å; Y681-P715 HydrophobicContact CE2-CB 3.78Å; Y681-P715 HydrophobicContact CE2-CG 3.86Å; F687-P715 HydrophobicContact CE2-CB 3.7Å; F687-P715 HydrophobicContact CZ-CB 3.93Å; I700-P715 WeakPolarHBondContact O-CD 3.38Å; V702-P715 HydrophobicContact CG1-CB 4.13Å; V702-P715 HydrophobicContact CG1-CG 4.24Å; V702-P715 HydrophobicContact CG2-CB 3.83Å; V702-P715 HydrophobicContact CG2-CG 4.42Å; V713-P715 WeakPolarHBondContact O-CD 3.26Å; P715-K717 VanDerWaalsContact C-N 3.3Å; P715-K717 PolarHBondContact O-N 2.89Å; P715-L718 WeakPolarHBondContact O-CB 3.32Å; P715-L718 PolarHBondContact O-N 2.91Å; P715-F719 VanDerWaalsContact O-CD2 3.31Å; P715-F719 WeakPolarHBondContact O-CD2 3.4Å
716	R	89.3	Confident	88.5	Confident	186 Å²	186	91.2 Å²	91.2	70%	0.702	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.7	-37.3	175.6	-59.3	174.6	176.6	179.9	1.7	111.5	Y681 D714 L718 F719	Y681-R716 WeakPolarHBondContact OH-CG 3.36Å; D714-R716 PolarHBondContact O-N 2.82Å; D714-R716 VanDerWaalsContact OD1-CB 3.23Å; D714-R716 WeakPolarHBondContact OD1-CB 3.41Å; D714-R716 WeakPolarHBondContact OD1-CG 3.43Å; D714-R716 PolarHBondContact OD1-N 3.37Å; R716-L718 PolarHBondContact O-N 2.85Å; R716-F719 PolarHBondContact O-N 2.65Å
717	K	91.4	Very high	89	Confident	140 Å²	140	87.3 Å²	87.3	61%	0.609	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-66.9	-17.3	178.6	-61.7	176.8	-171.8	174.4	0	112.8	K666 V713 D714 P715 F719	K666-K717 PolarHBondContact NZ-O 3.5Å; V713-K717 HydrophobicContact CG1-CB 4.18Å; D714-K717 HydrophobicContact CB-CD 4Å; D714-K717 HydrophobicContact CB-CG 4.13Å; D714-K717 WeakPolarHBondContact O-CB 3.36Å; D714-K717 PolarHBondContact O-N 3.28Å; D714-K717 WeakPolarHBondContact OD2-CE 3.43Å; P715-K717 VanDerWaalsContact C-N 3.3Å; P715-K717 PolarHBondContact O-N 2.89Å; K717-F719 VanDerWaalsContact C-N 3.3Å
718	L	92.1	Very high	90	Very high	8 Å²	8	82 Å²	82	4%	0.042	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-78	-15.3	178.2	-54.1	-179.7	0	0	0	113	P658 K666 F687 V702 I704 V713 P715 R716	P658-L718 HydrophobicContact CB-CB 4.01Å; P658-L718 HydrophobicContact CB-CD1 3.99Å; P658-L718 HydrophobicContact CG-CB 3.83Å; P658-L718 HydrophobicContact CG-CD1 4.24Å; K666-L718 WeakPolarHBondContact CD-O 3.44Å; K666-L718 WeakPolarHBondContact CE-O 3.04Å; K666-L718 VanDerWaalsContact CG-O 3.3Å; K666-L718 WeakPolarHBondContact CG-O 3.18Å; F687-L718 HydrophobicContact CE1-CD1 4.26Å; F687-L718 HydrophobicContact CZ-CD1 4.07Å; V702-L718 HydrophobicContact CG2-CD1 3.8Å; I704-L718 HydrophobicContact CD1-CD1 4.2Å; I704-L718 HydrophobicContact CD1-CD2 3.63Å; I704-L718 HydrophobicContact CG2-CD1 3.95Å; V713-L718 HydrophobicContact CB-CD2 4.22Å; V713-L718 HydrophobicContact CG1-CD2 3.93Å; V713-L718 HydrophobicContact CG1-CG 4.47Å; P715-L718 WeakPolarHBondContact O-CB 3.32Å; P715-L718 PolarHBondContact O-N 2.91Å; R716-L718 PolarHBondContact O-N 2.85Å
719	F	95.7	Very high	90.9	Very high	21 Å²	21	75.7 Å²	75.7	9%	0.092	37%	0.365	C	S	.	.			trans	-92.5	153.7	175.9	-66.2	-85.9	0	0	0	112.2	Q656 A657 P658 K666 F674 H677 Y678 Y681 L686 P715 R716 K717	Q656-F719 CarbonylContact O-C 3.56Å; Q656-F719 WeakPolarHBondContact O-CA 3.26Å; A657-F719 HydrophobicContact CB-CD1 4.03Å; A657-F719 HydrophobicContact CB-CE1 3.96Å; P658-F719 HydrophobicContact CG-CE1 4.38Å; P658-F719 HydrophobicContact CG-CE2 4.05Å; P658-F719 HydrophobicContact CG-CZ 3.85Å; K666-F719 PolarHBondContact NZ-O 2.63Å; F674-F719 HydrophobicContact CD2-CD1 4.42Å; F674-F719 HydrophobicContact CE2-CB 3.96Å; F674-F719 AromaticContact CE2-CD1 3.71Å; F674-F719 HydrophobicContact CE2-CD1 3.71Å; F674-F719 HydrophobicContact CE2-CG 4.33Å; F674-F719 HydrophobicContact CZ-CB 4.13Å; F674-F719 HydrophobicContact CZ-CD1 4.02Å; H677-F719 HydrophobicContact CB-CE1 4.44Å; Y678-F719 AromaticContact CD2-CD1 3.9Å; Y678-F719 HydrophobicContact CD2-CD1 3.9Å; Y678-F719 HydrophobicContact CD2-CD2 4.41Å; Y678-F719 HydrophobicContact CD2-CE1 4.04Å; Y678-F719 HydrophobicContact CD2-CG 4.1Å; Y678-F719 HydrophobicContact CD2-CZ 4.37Å; Y681-F719 HydrophobicContact CD1-CD2 4.36Å; Y681-F719 AromaticContact CD1-CE2 3.71Å; Y681-F719 HydrophobicContact CD1-CE2 3.71Å; Y681-F719 HydrophobicContact CD1-CZ 4.15Å; Y681-F719 HydrophobicContact CD2-CE2 4.4Å; Y681-F719 HydrophobicContact CE1-CE2 4.31Å; Y681-F719 AromaticContact CG-CE2 3.76Å; Y681-F719 HydrophobicContact CG-CE2 3.76Å; Y681-F719 AromaticContact CG-CZ 3.99Å; Y681-F719 HydrophobicContact CG-CZ 3.99Å; L686-F719 HydrophobicContact CD2-CZ 3.84Å; P715-F719 VanDerWaalsContact O-CD2 3.31Å; P715-F719 WeakPolarHBondContact O-CD2 3.4Å; R716-F719 PolarHBondContact O-N 2.65Å; K717-F719 VanDerWaalsContact C-N 3.3Å
720	K	96.4	Very high	91.3	Very high	131 Å²	131	71.4 Å²	71.4	57%	0.57	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-152.1	115	160.1	-177.8	171.7	-179.2	168.6	0	107.8	G655 Q656 F674	G655-K720 CarbonylContact C-O 3.54Å; G655-K720 VanDerWaalsContact CA-O 3.25Å; G655-K720 WeakPolarHBondContact CA-O 3.26Å; Q656-K720 HydrophobicContact CB-CB 4.05Å; Q656-K720 HydrophobicContact CG-CB 4.33Å; Q656-K720 PolarHBondContact N-O 2.91Å; Q656-K720 PolarHBondContact O-N 3.14Å; F674-K720 VanDerWaalsContact CE2-C 3.43Å; F674-K720 VanDerWaalsContact CE2-O 3.27Å; F674-K720 WeakPolarHBondContact CE2-O 3.45Å
721	A	94.8	Very high	91.2	Very high	55 Å²	55	69.2 Å²	69.2	46%	0.455	33%	0.334	S	S	.	.			trans	-63.4	146.6	-179.8	0	0	0	0	0	111.5	F674 Y725	F674-A721 HydrophobicContact CE1-CB 4.07Å; F674-A721 HydrophobicContact CZ-CB 4Å; A721-Y725 HydrophobicContact CB-CD2 4.4Å
722	P	95.4	Very high	90.4	Very high	10 Å²	10	65.2 Å²	65.2	7%	0.065	32%	0.317	C	S	.	.			trans	-66	165.6	163	32.4	-37.1	0	0	0	110.8	F652 Y725	F652-P722 WeakPolarHBondContact O-CB 3.39Å; P722-Y725 HydrophobicContact CG-CD2 4.44Å
723	V	95.1	Very high	89.5	Confident	113 Å²	113	68.2 Å²	68.2	69%	0.685	33%	0.33	S	S	*	.	S	Bend	trans	-72.6	-44.1	169.8	179.8	0	0	0	0	109.9	F652 Y725	F652-V723 HydrophobicContact CB-CB 4.25Å; F652-V723 HydrophobicContact CD1-CB 4.46Å; F652-V723 HydrophobicContact CD1-CG2 4.41Å; F652-V723 PolarHBondContact O-N 3.34Å; V723-Y725 PolarHBondContact O-N 3.39Å
724	N	93.6	Very high	88.6	Confident	32 Å²	32	71.9 Å²	71.9	17%	0.171	35%	0.346	C	S	.	.	S	Bend	trans	-85.8	64.7	176.3	-67.6	37.6	0	0	0	109.9	F652 S671 F727	F652-N724 WeakPolarHBondContact CB-OD1 3.15Å; F652-N724 PolarHBondContact O-N 2.91Å; S671-N724 VanDerWaalsContact CB-O 3.26Å; S671-N724 WeakPolarHBondContact CB-O 3.3Å; S671-N724 PolarHBondContact OG-O 3.44Å; S671-N724 VanDerWaalsContact OG-O 3.12Å; N724-F727 HydrophobicContact CB-CD1 4.06Å; N724-F727 HydrophobicContact CB-CD2 3.79Å; N724-F727 HydrophobicContact CB-CE1 4.15Å; N724-F727 HydrophobicContact CB-CE2 3.91Å; N724-F727 HydrophobicContact CB-CG 3.9Å; N724-F727 HydrophobicContact CB-CZ 4.09Å; N724-F727 WeakPolarHBondContact ND2-CE2 3.37Å
725	Y	91.5	Very high	87.6	Confident	121 Å²	121	71.7 Å²	71.7	48%	0.475	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	149.1	179.1	-175.5	-93	0	0	0	112.2	S671 F674 D675 A721 P722 V723 F727	S671-Y725 WeakPolarHBondContact OG-CA 3.49Å; F674-Y725 HydrophobicContact CD1-CD2 4.16Å; F674-Y725 AromaticContact CD1-CE2 3.74Å; F674-Y725 HydrophobicContact CD1-CE2 3.74Å; F674-Y725 HydrophobicContact CE1-CD2 4.28Å; F674-Y725 AromaticContact CE1-CE2 3.76Å; F674-Y725 HydrophobicContact CE1-CE2 3.76Å; D675-Y725 VanDerWaalsContact OD1-CE2 3.23Å; D675-Y725 WeakPolarHBondContact OD1-CE2 3.22Å; A721-Y725 HydrophobicContact CB-CD2 4.4Å; P722-Y725 HydrophobicContact CG-CD2 4.44Å; V723-Y725 PolarHBondContact O-N 3.39Å; Y725-F727 WeakPolarHBondContact O-CD1 3.48Å; Y725-F727 PolarHBondContact O-N 2.82Å
726	G	90.2	Very high	86.7	Confident	31 Å²	31	78 Å²	78	32%	0.32	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-8.1	-178.2	0	0	0	0	0	116.2	S671	S671-G726 PolarHBondContact OG-N 2.84Å
727	F	93.6	Very high	85.9	Confident	62 Å²	62	72.4 Å²	72.4	27%	0.272	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-67.2	136.7	-177.2	-78.7	35.3	0	0	0	110.9	M626 E627 C629 S671 E672 N724 Y725	M626-F727 HydrophobicContact CB-CB 4.33Å; M626-F727 HydrophobicContact CB-CD2 4.42Å; M626-F727 HydrophobicContact CE-CB 4.34Å; M626-F727 WeakPolarHBondContact CE-O 3.32Å; E627-F727 WeakPolarHBondContact O-CD2 3.14Å; C629-F727 HydrophobicContact CB-CD2 4.1Å; C629-F727 HydrophobicContact CB-CE2 4.13Å; S671-F727 WeakPolarHBondContact CB-O 3.41Å; S671-F727 PolarHBondContact OG-N 2.85Å; E672-F727 PolarHBondContact N-O 2.83Å; N724-F727 HydrophobicContact CB-CD1 4.06Å; N724-F727 HydrophobicContact CB-CD2 3.79Å; N724-F727 HydrophobicContact CB-CE1 4.15Å; N724-F727 HydrophobicContact CB-CE2 3.91Å; N724-F727 HydrophobicContact CB-CG 3.9Å; N724-F727 HydrophobicContact CB-CZ 4.09Å; N724-F727 WeakPolarHBondContact ND2-CE2 3.37Å; Y725-F727 WeakPolarHBondContact O-CD1 3.48Å; Y725-F727 PolarHBondContact O-N 2.82Å
728	R	93.2	Very high	84.9	Confident	115 Å²	115	68.9 Å²	68.9	43%	0.434	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-94.1	163.9	-180	-63	-63.6	175.2	-125.4	-7.2	112.5	M626 E627 D675	M626-R728 CarbonylContact C-O 3.47Å; M626-R728 WeakPolarHBondContact CA-O 3.42Å; M626-R728 VanDerWaalsContact CE-C 3.45Å; M626-R728 VanDerWaalsContact CE-O 3.29Å; M626-R728 WeakPolarHBondContact CE-O 3.28Å; E627-R728 PolarHBondContact N-O 3.09Å; D675-R728 IonicContact OD2-CZ 3.26Å; D675-R728 IonicContact OD2-NH1 3.57Å; D675-R728 PolarHBondContact OD2-NH1 2.83Å; D675-R728 IonicContact OD2-NH2 2.7Å
729	H	91.3	Very high	84.4	Confident	32 Å²	32	69.1 Å²	69.1	15%	0.148	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-61.5	133.5	166.1	-63.1	115.5	0	0	0	109.9	C645 W647 C670 E672	C645-H729 PolarHBondContact SG-NE2 3.23Å; W647-H729 HydrophobicContact CD2-CB 4.21Å; W647-H729 AromaticContact CD2-CD2 3.26Å; W647-H729 AromaticContact CD2-CG 3.88Å; W647-H729 AromaticContact CE2-CD2 3.8Å; W647-H729 AromaticContact CE2-CG 3.99Å; W647-H729 HydrophobicContact CE3-CB 3.92Å; W647-H729 AromaticContact CE3-CD2 3.44Å; W647-H729 VanDerWaalsContact CE3-CD2 3.44Å; W647-H729 AromaticContact CE3-CG 3.97Å; W647-H729 AromaticContact CG-CD2 3.51Å; W647-H729 AromaticContact CG-NE2 3.8Å; W647-H729 HydrophobicContact CH2-CB 3.73Å; W647-H729 HydrophobicContact CZ2-CB 3.98Å; W647-H729 HydrophobicContact CZ3-CB 3.68Å; C670-H729 PolarHBondContact SG-NE2 2.68Å; E672-H729 IonicContact OE1-CE1 2.6Å; E672-H729 PolarHBondContact OE1-CE1 2.87Å; E672-H729 VanDerWaalsContact OE1-CE1 3.27Å; E672-H729 IonicContact OE1-ND1 3.97Å; E672-H729 PolarHBondContact OE1-ND1 3.25Å; E672-H729 IonicContact OE2-CE1 4Å; E672-H729 IonicContact OE2-CG 4Å; E672-H729 PolarHBondContact OE2-N 2.92Å; E672-H729 VanDerWaalsContact OE2-N 3.08Å; E672-H729 IonicContact OE2-ND1 3.2Å; E672-H729 PolarHBondContact OE2-ND1 2.65Å
730	R	85.8	Confident	83.8	Confident	38 Å²	38	70.4 Å²	70.4	14%	0.143	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.6	140.1	175	179.9	-170.4	-61.8	-170.5	-10	110.3	E623 C624 L625 W647 V732 L776	E623-R730 IonicContact OE1-CZ 3.45Å; E623-R730 VanDerWaalsContact OE1-CZ 3.23Å; E623-R730 IonicContact OE1-NH1 2.73Å; E623-R730 PolarHBondContact OE1-NH1 3.03Å; E623-R730 IonicContact OE1-NH2 3.86Å; E623-R730 PolarHBondContact OE1-NH2 2.88Å; C624-R730 PolarHBondContact O-NH2 2.96Å; C624-R730 VanDerWaalsContact O-NH2 3.16Å; L625-R730 VanDerWaalsContact O-CB 3.3Å; L625-R730 WeakPolarHBondContact O-CB 3.38Å; L625-R730 PolarHBondContact O-N 3.47Å; W647-R730 VanDerWaalsContact CH2-O 3.24Å; W647-R730 WeakPolarHBondContact CH2-O 3.28Å; W647-R730 HydrophobicContact CZ3-CB 4.46Å; R730-V732 PolarHBondContact O-N 3.23Å; R730-L776 PolarHBondContact NH1-O 2.81Å
731	N	80.5	Confident	83.3	Confident	83 Å²	83	64.7 Å²	64.7	44%	0.444	33%	0.331	S	S	.	.			trans	-65.7	106.8	172.2	-163.5	-10.3	0	0	0	110.9	E733 E734	N731-E733 PolarHBondContact OD1-N 2.73Å; N731-E734 HydrophobicContact CB-CB 4.34Å; N731-E734 VanDerWaalsContact CG-CB 3.47Å; N731-E734 VanDerWaalsContact ND2-CB 3.26Å; N731-E734 WeakPolarHBondContact ND2-CB 3.38Å; N731-E734 PolarHBondContact ND2-OE2 3.28Å; N731-E734 PolarHBondContact OD1-N 3.15Å
732	V	73	Confident	82.9	Confident	31 Å²	31	64.5 Å²	64.5	19%	0.188	32%	0.32	C	S	.	.			trans	-90.8	-31.3	-179.3	157.6	0	0	0	0	111.6	W647 R730 L776	W647-V732 HydrophobicContact CH2-CB 4.33Å; W647-V732 HydrophobicContact CH2-CG2 3.64Å; W647-V732 HydrophobicContact CZ3-CG2 4.14Å; R730-V732 PolarHBondContact O-N 3.23Å; V732-L776 HydrophobicContact CB-CD2 4.3Å; V732-L776 HydrophobicContact CG1-CD1 4.32Å; V732-L776 HydrophobicContact CG1-CD2 3.46Å; V732-L776 VanDerWaalsContact CG1-CD2 3.46Å; V732-L776 HydrophobicContact CG2-CD1 4.06Å; V732-L776 HydrophobicContact CG2-CD2 4Å
733	E	69.7	Low	82.5	Confident	158 Å²	158	64.7 Å²	64.7	74%	0.738	32%	0.323	S	S	*	.	H	α-helix	trans	-77.9	-37.4	-171.1	-66.8	170.4	-176	0	0	111.2	N731 K735 R736 A737	N731-E733 PolarHBondContact OD1-N 2.73Å; E733-K735 VanDerWaalsContact C-N 3.32Å; E733-K735 PolarHBondContact O-N 2.83Å; E733-R736 PolarHBondContact O-N 3.25Å; E733-A737 PolarHBondContact O-N 2.72Å
734	E	70.9	Confident	82.2	Confident	93 Å²	93	64.8 Å²	64.8	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-40.1	175	176.3	175.2	-175.3	0	0	113.4	N731 R736 A737 Q738	N731-E734 HydrophobicContact CB-CB 4.34Å; N731-E734 VanDerWaalsContact CG-CB 3.47Å; N731-E734 VanDerWaalsContact ND2-CB 3.26Å; N731-E734 WeakPolarHBondContact ND2-CB 3.38Å; N731-E734 PolarHBondContact ND2-OE2 3.28Å; N731-E734 PolarHBondContact OD1-N 3.15Å; E734-R736 PolarHBondContact O-N 3.32Å; E734-A737 PolarHBondContact O-N 2.94Å; E734-A737 VanDerWaalsContact O-N 3.16Å; E734-Q738 HydrophobicContact CG-CG 4.42Å; E734-Q738 WeakPolarHBondContact O-CG 3.27Å; E734-Q738 PolarHBondContact O-N 2.85Å; E734-Q738 PolarHBondContact OE1-NE2 2.82Å
735	K	68.1	Low	82.1	Confident	42 Å²	42	63.2 Å²	63.2	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-31.7	176.7	-172.4	-177	177.5	-172.2	0	112.4	E733 L761 E775 D777	E733-K735 VanDerWaalsContact C-N 3.32Å; E733-K735 PolarHBondContact O-N 2.83Å; K735-L761 HydrophobicContact CG-CD2 4.2Å; K735-E775 PolarHBondContact NZ-O 2.91Å; K735-D777 PolarHBondContact NZ-O 3.48Å
736	R	69.4	Low	81.9	Confident	135 Å²	135	59.1 Å²	59.1	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-80.2	-43.1	173.1	-71.4	-180	173.1	176.2	-3.2	111	E733 E734 Q738 S739 E775	E733-R736 PolarHBondContact O-N 3.25Å; E734-R736 PolarHBondContact O-N 3.32Å; R736-Q738 VanDerWaalsContact C-N 3.29Å; R736-Q738 PolarHBondContact O-N 3.28Å; R736-S739 PolarHBondContact O-N 2.92Å; R736-S739 PolarHBondContact O-OG 3.44Å; R736-E775 IonicContact CZ-OE1 3.05Å; R736-E775 IonicContact NE-OE1 3.57Å; R736-E775 PolarHBondContact NE-OE1 3Å; R736-E775 IonicContact NH2-OE1 3.42Å; R736-E775 PolarHBondContact NH2-OE1 2.87Å; R736-E775 IonicContact NH2-OE2 3.42Å
737	A	71.5	Confident	81.7	Confident	69 Å²	69	57.7 Å²	57.7	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-58.7	-36.9	179.7	0	0	0	0	0	113.1	E733 E734 S739 R764	E733-A737 PolarHBondContact O-N 2.72Å; E734-A737 PolarHBondContact O-N 2.94Å; E734-A737 VanDerWaalsContact O-N 3.16Å; A737-S739 VanDerWaalsContact C-N 3.27Å; A737-S739 PolarHBondContact O-N 3.08Å; A737-R764 PolarHBondContact O-NH1 2.88Å
738	Q	71.6	Confident	81	Confident	67 Å²	67	56.3 Å²	56.3	31%	0.313	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.8	177.3	-69.4	171.3	3.5	0	0	114.4	E734 R736 R764	E734-Q738 HydrophobicContact CG-CG 4.42Å; E734-Q738 WeakPolarHBondContact O-CG 3.27Å; E734-Q738 PolarHBondContact O-N 2.85Å; E734-Q738 PolarHBondContact OE1-NE2 2.82Å; R736-Q738 VanDerWaalsContact C-N 3.29Å; R736-Q738 PolarHBondContact O-N 3.28Å; Q738-R764 PolarHBondContact O-N 3.07Å
739	S	81.6	Confident	79.5	Confident	13 Å²	13	55.4 Å²	55.4	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.3	179.7	72	0	0	0	0	113.1	R736 A737 L762 R764	R736-S739 PolarHBondContact O-N 2.92Å; R736-S739 PolarHBondContact O-OG 3.44Å; A737-S739 VanDerWaalsContact C-N 3.27Å; A737-S739 PolarHBondContact O-N 3.08Å; S739-L762 CarbonylContact C-O 3.38Å; S739-L762 VanDerWaalsContact CA-O 3.31Å; S739-L762 WeakPolarHBondContact CA-O 3.36Å; S739-R764 PolarHBondContact O-NH2 3.13Å
740	I	83.1	Confident	77.6	Confident	47 Å²	47	62 Å²	62	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-46.5	167.6	-57	-178	0	0	0	109.3	L762 R764 L767 A836 K840	I740-L762 HydrophobicContact CB-CB 4.49Å; I740-L762 HydrophobicContact CB-CD2 4.42Å; I740-L762 HydrophobicContact CB-CG 4.38Å; I740-L762 HydrophobicContact CD1-CD2 4.14Å; I740-L762 HydrophobicContact CD1-CG 4.19Å; I740-L762 PolarHBondContact N-O 3.43Å; I740-R764 HydrophobicContact CD1-CB 4.48Å; I740-R764 HydrophobicContact CD1-CG 4.47Å; I740-R764 HydrophobicContact CG1-CB 3.89Å; I740-R764 HydrophobicContact CG1-CG 4.13Å; I740-L767 HydrophobicContact CD1-CD2 3.95Å; I740-A836 HydrophobicContact CG2-CB 3.75Å; I740-K840 HydrophobicContact CD1-CG 4.22Å
741	V	85.7	Confident	75.9	Confident	11 Å²	11	65 Å²	65	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.5	173.3	58.3	0	0	0	0	109.1	L761 L762 K832 W833 A836	V741-L761 CarbonylContact O-C 3.57Å; V741-L761 WeakPolarHBondContact O-CA 3.25Å; V741-L761 WeakPolarHBondContact O-CB 3.17Å; V741-L762 HydrophobicContact CG1-CB 3.86Å; V741-L762 PolarHBondContact O-N 2.95Å; V741-K832 HydrophobicContact CG2-CB 4.18Å; V741-W833 HydrophobicContact CG1-CD2 4.02Å; V741-W833 HydrophobicContact CG1-CE3 3.51Å; V741-W833 HydrophobicContact CG1-CH2 3.95Å; V741-W833 HydrophobicContact CG1-CZ2 4.41Å; V741-W833 HydrophobicContact CG1-CZ3 3.47Å; V741-W833 VanDerWaalsContact CG1-CZ3 3.47Å; V741-W833 HydrophobicContact CG2-CD2 3.86Å; V741-W833 HydrophobicContact CG2-CE3 4.24Å; V741-W833 HydrophobicContact CG2-CG 4.18Å; V741-W833 HydrophobicContact CG2-CZ2 4.23Å; V741-A836 HydrophobicContact CB-CB 3.79Å; V741-A836 HydrophobicContact CG1-CB 3.47Å; V741-A836 VanDerWaalsContact CG1-CB 3.47Å
742	F	86.9	Confident	74.4	Confident	52 Å²	52	69.7 Å²	69.7	23%	0.228	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.5	174.2	172.8	-81	0	0	0	108.6	H759 A760 L761 E775	F742-H759 HydrophobicContact CE2-CB 4.39Å; F742-H759 HydrophobicContact CZ-CB 4.07Å; F742-A760 WeakPolarHBondContact CA-O 3.39Å; F742-L761 HydrophobicContact CB-CB 4.18Å; F742-L761 HydrophobicContact CD2-CB 3.82Å; F742-L761 HydrophobicContact CD2-CD2 3.94Å; F742-L761 HydrophobicContact CE2-CD2 4.42Å; F742-L761 HydrophobicContact CG-CB 4.46Å; F742-E775 HydrophobicContact CE1-CG 4.09Å; F742-E775 VanDerWaalsContact CE1-OE1 3.28Å; F742-E775 WeakPolarHBondContact CE1-OE1 3.38Å; F742-E775 HydrophobicContact CE2-CG 4.39Å; F742-E775 HydrophobicContact CZ-CB 3.87Å; F742-E775 HydrophobicContact CZ-CG 3.54Å
743	G	87.1	Confident	73.5	Confident	13 Å²	13	78.7 Å²	78.7	13%	0.134	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	170.6	173.1	0	0	0	0	0	115.2	H759 A760	G743-H759 CarbonylContact O-C 3.49Å; G743-H759 WeakPolarHBondContact O-CA 3.29Å; G743-A760 PolarHBondContact N-O 2.85Å; G743-A760 PolarHBondContact O-N 3.4Å
744	R	88.4	Confident	73.1	Confident	115 Å²	115	75.4 Å²	75.4	43%	0.434	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.2	166.9	-178.8	-175.6	175.9	-173.8	-2.5	109.5	Y746 V757 R758 D825	R744-Y746 PolarHBondContact NE-OH 3.1Å; R744-Y746 PolarHBondContact NH2-OH 3.03Å; R744-V757 HydrophobicContact CG-CG1 3.96Å; R744-R758 WeakPolarHBondContact CA-O 3.32Å; R744-D825 IonicContact NH1-OD2 2.75Å
745	V	90.3	Very high	73.5	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.2	177	-56	0	0	0	0	111.2	V757 R758 A760 F771 F822 R823 V824 W833	V745-V757 WeakPolarHBondContact O-CA 3.44Å; V745-R758 HydrophobicContact CG2-CB 4.01Å; V745-R758 PolarHBondContact N-O 3.15Å; V745-R758 PolarHBondContact O-N 3.11Å; V745-A760 HydrophobicContact CB-CB 4.46Å; V745-A760 HydrophobicContact CG1-CB 3.88Å; V745-A760 HydrophobicContact CG2-CB 3.67Å; V745-F771 HydrophobicContact CG2-CD1 3.97Å; V745-F771 HydrophobicContact CG2-CE1 3.9Å; V745-F822 HydrophobicContact CB-CB 4.4Å; V745-F822 HydrophobicContact CB-CD2 3.75Å; V745-F822 HydrophobicContact CB-CE2 4.43Å; V745-F822 HydrophobicContact CB-CG 4.36Å; V745-F822 HydrophobicContact CG1-CD2 3.66Å; V745-F822 HydrophobicContact CG1-CE2 3.83Å; V745-F822 HydrophobicContact CG2-CD2 4.41Å; V745-R823 WeakPolarHBondContact CA-O 3.49Å; V745-V824 HydrophobicContact CG1-CG2 4.28Å; V745-W833 HydrophobicContact CG1-CZ2 3.92Å
746	Y	88.8	Confident	74.2	Confident	34 Å²	34	75 Å²	75	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	93.5	177.4	-59.9	-108.5	0	0	0	107.2	R744 V757 F822 R823 D825	R744-Y746 PolarHBondContact NE-OH 3.1Å; R744-Y746 PolarHBondContact NH2-OH 3.03Å; Y746-V757 HydrophobicContact CD1-CG2 3.9Å; Y746-V757 HydrophobicContact CE1-CG2 3.83Å; Y746-F822 CarbonylContact O-C 3.53Å; Y746-F822 VanDerWaalsContact O-CA 3.27Å; Y746-F822 WeakPolarHBondContact O-CA 3.28Å; Y746-R823 PolarHBondContact N-O 2.96Å; Y746-R823 PolarHBondContact O-N 2.94Å; Y746-D825 HydrophobicContact CE2-CB 3.77Å; Y746-D825 VanDerWaalsContact CE2-OD2 3.28Å; Y746-D825 WeakPolarHBondContact CE2-OD2 3.34Å; Y746-D825 PolarHBondContact OH-OD2 2.56Å
747	L	86.1	Confident	75.1	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.3	-174.3	179.3	63	0	0	0	110.2	F749 T756 R758 F771 L782 F822	L747-F749 HydrophobicContact CD2-CE2 3.64Å; L747-F749 HydrophobicContact CD2-CZ 3.6Å; L747-F749 HydrophobicContact CG-CD2 4.43Å; L747-F749 HydrophobicContact CG-CE2 3.8Å; L747-F749 HydrophobicContact CG-CZ 4.04Å; L747-T756 PolarHBondContact N-O 3.27Å; L747-T756 PolarHBondContact O-N 3.49Å; L747-T756 PolarHBondContact O-OG1 3.46Å; L747-R758 HydrophobicContact CB-CG 4Å; L747-R758 HydrophobicContact CD2-CG 4.16Å; L747-F771 HydrophobicContact CB-CE1 4.47Å; L747-F771 HydrophobicContact CD1-CD1 4.38Å; L747-F771 HydrophobicContact CD1-CE1 3.82Å; L747-F771 HydrophobicContact CD1-CZ 4.03Å; L747-F771 HydrophobicContact CD2-CD1 3.89Å; L747-F771 HydrophobicContact CD2-CE1 4.17Å; L747-F771 HydrophobicContact CD2-CG 4.15Å; L747-F771 HydrophobicContact CG-CE1 4.38Å; L747-L782 HydrophobicContact CD2-CD2 4.27Å; L747-F822 HydrophobicContact CD1-CB 4.16Å
748	S	77.6	Confident	75.9	Confident	33 Å²	33	70.8 Å²	70.8	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.6	-179.3	-170.7	0	0	0	0	110.7	S821	S748-S821 PolarHBondContact N-O 2.95Å; S748-S821 PolarHBondContact O-OG 3.35Å
749	F	63.4	Low	76.8	Confident	95 Å²	95	69.3 Å²	69.3	42%	0.417	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120	174.9	-67.6	-84.3	0	0	0	107.9	L747 S751 R752 L782	L747-F749 HydrophobicContact CD2-CE2 3.64Å; L747-F749 HydrophobicContact CD2-CZ 3.6Å; L747-F749 HydrophobicContact CG-CD2 4.43Å; L747-F749 HydrophobicContact CG-CE2 3.8Å; L747-F749 HydrophobicContact CG-CZ 4.04Å; F749-S751 PolarHBondContact O-N 2.85Å; F749-R752 CarbonylContact O-C 3.58Å; F749-R752 PolarHBondContact O-N 2.81Å; F749-L782 HydrophobicContact CE1-CD2 4.32Å; F749-L782 HydrophobicContact CZ-CD2 4.17Å
750	R	50.6	Low	77.2	Confident	171 Å²	171	68.7 Å²	68.7	65%	0.645	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.8	-166.9	-145.6	175	-165	156.6	8.5	114.8	R752	R750-R752 VanDerWaalsContact C-N 3.26Å; R750-R752 PolarHBondContact O-N 3.4Å
751	S	49.8	Very low	77.5	Confident	100 Å²	100	66.7 Å²	66.7	70%	0.699	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.9	172.9	60.5	0	0	0	0	115	F749	F749-S751 PolarHBondContact O-N 2.85Å
752	R	48.6	Very low	77.6	Confident	182 Å²	182	66.2 Å²	66.2	69%	0.687	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	122.8	175.7	-63.8	-177.8	-179.3	167.2	2.5	110	F749 R750 T754	F749-R752 CarbonylContact O-C 3.58Å; F749-R752 PolarHBondContact O-N 2.81Å; R750-R752 VanDerWaalsContact C-N 3.26Å; R750-R752 PolarHBondContact O-N 3.4Å; R752-T754 PolarHBondContact O-N 3.1Å
753	K	54.8	Low	77.6	Confident	221 Å²	221	66.9 Å²	66.9	96%	0.961	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	40.4	178	-62.8	-169.7	176.1	-170.9	0	113.3
754	T	60.9	Low	77.4	Confident	88 Å²	88	72.4 Å²	72.4	54%	0.54	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112.7	-175	45.4	0	0	0	0	110.8	R752	R752-T754 PolarHBondContact O-N 3.1Å
755	E	79.6	Confident	77.1	Confident	88 Å²	88	72.1 Å²	72.1	41%	0.411	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	148.1	170.4	-64	-173.6	139.4	0	0	110.9	R823	E755-R823 IonicContact OE1-CZ 2.72Å; E755-R823 IonicContact OE1-NE 2.81Å; E755-R823 PolarHBondContact OE1-NE 2.83Å; E755-R823 IonicContact OE1-NH2 3.28Å; E755-R823 IonicContact OE2-CZ 3.67Å; E755-R823 IonicContact OE2-NE 2.73Å; E755-R823 IonicContact OE2-NH2 2.89Å; E755-R823 PolarHBondContact OE2-NH2 2.89Å
756	T	83.4	Confident	76.7	Confident	39 Å²	39	74.3 Å²	74.3	24%	0.239	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	175	64.7	0	0	0	0	111.4	L747 R758	L747-T756 PolarHBondContact N-O 3.27Å; L747-T756 PolarHBondContact O-N 3.49Å; L747-T756 PolarHBondContact O-OG1 3.46Å; T756-R758 PolarHBondContact O-N 3.35Å; T756-R758 PolarHBondContact OG1-NH2 3.36Å
757	V	87.1	Confident	76.5	Confident	59 Å²	59	74.6 Å²	74.6	36%	0.358	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.8	177.5	-178.2	0	0	0	0	110	R744 V745 Y746	R744-V757 HydrophobicContact CG-CG1 3.96Å; V745-V757 WeakPolarHBondContact O-CA 3.44Å; Y746-V757 HydrophobicContact CD1-CG2 3.9Å; Y746-V757 HydrophobicContact CE1-CG2 3.83Å
758	R	89.9	Confident	76.5	Confident	57 Å²	57	77.6 Å²	77.6	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	168.4	176.8	-63.9	-64.8	177.1	-96	-5.1	109.8	R744 V745 L747 T756 F771 Y772	R744-R758 WeakPolarHBondContact CA-O 3.32Å; V745-R758 HydrophobicContact CG2-CB 4.01Å; V745-R758 PolarHBondContact N-O 3.15Å; V745-R758 PolarHBondContact O-N 3.11Å; L747-R758 HydrophobicContact CB-CG 4Å; L747-R758 HydrophobicContact CD2-CG 4.16Å; T756-R758 PolarHBondContact O-N 3.35Å; T756-R758 PolarHBondContact OG1-NH2 3.36Å; R758-F771 HydrophobicContact CB-CB 4.48Å; R758-F771 HydrophobicContact CB-CD1 4.21Å; R758-Y772 WeakPolarHBondContact CA-O 3.43Å; R758-Y772 WeakPolarHBondContact CB-O 3.29Å; R758-Y772 VanDerWaalsContact CD-O 3.31Å; R758-Y772 WeakPolarHBondContact CD-O 3.33Å
759	H	89.6	Confident	77	Confident	36 Å²	36	76 Å²	76	17%	0.167	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.4	163.8	-65.4	77.3	0	0	0	107.6	F742 G743 F771 Y772 K773	F742-H759 HydrophobicContact CE2-CB 4.39Å; F742-H759 HydrophobicContact CZ-CB 4.07Å; G743-H759 CarbonylContact O-C 3.49Å; G743-H759 WeakPolarHBondContact O-CA 3.29Å; H759-F771 CarbonylContact O-C 3.54Å; H759-F771 WeakPolarHBondContact O-CA 3.2Å; H759-Y772 PolarHBondContact N-O 2.88Å; H759-Y772 PolarHBondContact O-N 3.22Å; H759-K773 PolarHBondContact ND1-O 2.9Å
760	A	89.7	Confident	78.2	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.3	-179.7	0	0	0	0	0	110.9	F742 G743 V745 V770 F771 W833	F742-A760 WeakPolarHBondContact CA-O 3.39Å; G743-A760 PolarHBondContact N-O 2.85Å; G743-A760 PolarHBondContact O-N 3.4Å; V745-A760 HydrophobicContact CB-CB 4.46Å; V745-A760 HydrophobicContact CG1-CB 3.88Å; V745-A760 HydrophobicContact CG2-CB 3.67Å; A760-V770 CarbonylContact C-O 3.56Å; A760-V770 VanDerWaalsContact CA-O 3.29Å; A760-V770 WeakPolarHBondContact CA-O 3.42Å; A760-F771 HydrophobicContact CB-CD1 3.69Å; A760-F771 HydrophobicContact CB-CE1 3.78Å; A760-F771 HydrophobicContact CB-CG 4.36Å; A760-F771 HydrophobicContact CB-CZ 4.5Å; A760-W833 HydrophobicContact CB-CH2 3.63Å; A760-W833 HydrophobicContact CB-CZ2 3.83Å
761	L	90	Very high	80.1	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.2	168	70.6	85.6	0	0	0	111.6	K735 V741 F742 R763 L769 V770 Y772	K735-L761 HydrophobicContact CG-CD2 4.2Å; V741-L761 CarbonylContact O-C 3.57Å; V741-L761 WeakPolarHBondContact O-CA 3.25Å; V741-L761 WeakPolarHBondContact O-CB 3.17Å; F742-L761 HydrophobicContact CB-CB 4.18Å; F742-L761 HydrophobicContact CD2-CB 3.82Å; F742-L761 HydrophobicContact CD2-CD2 3.94Å; F742-L761 HydrophobicContact CE2-CD2 4.42Å; F742-L761 HydrophobicContact CG-CB 4.46Å; L761-R763 HydrophobicContact CD1-CB 4.49Å; L761-R763 HydrophobicContact CD1-CG 3.59Å; L761-L769 WeakPolarHBondContact O-CA 3.42Å; L761-V770 HydrophobicContact CD1-CB 4.44Å; L761-V770 HydrophobicContact CG-CB 4.46Å; L761-V770 PolarHBondContact N-O 3.13Å; L761-V770 PolarHBondContact O-N 2.85Å; L761-Y772 HydrophobicContact CD2-CD2 4.37Å; L761-Y772 HydrophobicContact CD2-CE2 3.57Å; L761-Y772 HydrophobicContact CG-CE2 3.99Å
762	L	88.4	Confident	82	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.3	168.3	177.9	55.5	0	0	0	108.8	S739 I740 V741 I786	S739-L762 CarbonylContact C-O 3.38Å; S739-L762 VanDerWaalsContact CA-O 3.31Å; S739-L762 WeakPolarHBondContact CA-O 3.36Å; I740-L762 HydrophobicContact CB-CB 4.49Å; I740-L762 HydrophobicContact CB-CD2 4.42Å; I740-L762 HydrophobicContact CB-CG 4.38Å; I740-L762 HydrophobicContact CD1-CD2 4.14Å; I740-L762 HydrophobicContact CD1-CG 4.19Å; I740-L762 PolarHBondContact N-O 3.43Å; V741-L762 HydrophobicContact CG1-CB 3.86Å; V741-L762 PolarHBondContact O-N 2.95Å; L762-I786 HydrophobicContact CD1-CD1 3.6Å; L762-I786 HydrophobicContact CD1-CG1 4.12Å; L762-I786 HydrophobicContact CD2-CD1 4.11Å
763	R	86.1	Confident	83.7	Confident	66 Å²	66	57.3 Å²	57.3	25%	0.249	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.4	176.3	-73.3	175.7	44.7	85.4	23.3	110.6	L761 D765 D766 L767 K768 V770	L761-R763 HydrophobicContact CD1-CB 4.49Å; L761-R763 HydrophobicContact CD1-CG 3.59Å; R763-D765 IonicContact NH2-OD2 3.86Å; R763-D765 PolarHBondContact NH2-OD2 3.08Å; R763-D765 VanDerWaalsContact NH2-OD2 3.14Å; R763-D766 WeakPolarHBondContact CB-OD1 3.33Å; R763-D766 IonicContact CZ-OD1 3.69Å; R763-D766 IonicContact CZ-OD2 2.95Å; R763-D766 IonicContact NE-OD1 2.67Å; R763-D766 PolarHBondContact NE-OD1 2.88Å; R763-D766 IonicContact NE-OD2 3.7Å; R763-D766 PolarHBondContact NE-OD2 3.17Å; R763-D766 IonicContact NH2-OD1 3.28Å; R763-D766 PolarHBondContact NH2-OD1 3.44Å; R763-D766 IonicContact NH2-OD2 3.98Å; R763-L767 WeakPolarHBondContact O-CA 3.48Å; R763-L767 PolarHBondContact O-N 2.95Å; R763-K768 PolarHBondContact N-O 3.35Å; R763-V770 HydrophobicContact CG-CG2 4.33Å
764	R	82.9	Confident	85.3	Confident	129 Å²	129	46.9 Å²	46.9	49%	0.487	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-38.6	179.8	-171.5	177.7	-68.1	97.9	5.3	113	A737 Q738 S739 I740	A737-R764 PolarHBondContact O-NH1 2.88Å; Q738-R764 PolarHBondContact O-N 3.07Å; S739-R764 PolarHBondContact O-NH2 3.13Å; I740-R764 HydrophobicContact CD1-CB 4.48Å; I740-R764 HydrophobicContact CD1-CG 4.47Å; I740-R764 HydrophobicContact CG1-CB 3.89Å; I740-R764 HydrophobicContact CG1-CG 4.13Å
765	D	81.3	Confident	86.4	Confident	110 Å²	110	44.2 Å²	44.2	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-33.4	-165.8	-33.3	-46.4	0	0	0	113.8	R763	R763-D765 IonicContact NH2-OD2 3.86Å; R763-D765 PolarHBondContact NH2-OD2 3.08Å; R763-D765 VanDerWaalsContact NH2-OD2 3.14Å
766	D	82.1	Confident	86.7	Confident	46 Å²	46	40.7 Å²	40.7	25%	0.246	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	10.1	-170.8	66.3	-18.2	0	0	0	113.7	R763 K768 L785	R763-D766 WeakPolarHBondContact CB-OD1 3.33Å; R763-D766 IonicContact CZ-OD1 3.69Å; R763-D766 IonicContact CZ-OD2 2.95Å; R763-D766 IonicContact NE-OD1 2.67Å; R763-D766 PolarHBondContact NE-OD1 2.88Å; R763-D766 IonicContact NE-OD2 3.7Å; R763-D766 PolarHBondContact NE-OD2 3.17Å; R763-D766 IonicContact NH2-OD1 3.28Å; R763-D766 PolarHBondContact NH2-OD1 3.44Å; R763-D766 IonicContact NH2-OD2 3.98Å; D766-K768 PolarHBondContact O-N 3.41Å; D766-K768 VanDerWaalsContact O-N 3.11Å; D766-K768 WeakPolarHBondContact OD2-CD 3.25Å; D766-K768 VanDerWaalsContact OD2-CE 3.23Å; D766-K768 WeakPolarHBondContact OD2-CE 3.49Å; D766-K768 IonicContact OD2-NZ 2.75Å; D766-K768 PolarHBondContact OD2-NZ 3.23Å; D766-L785 WeakPolarHBondContact O-CD1 3.13Å
767	L	84.2	Confident	86.9	Confident	40 Å²	40	39.1 Å²	39.1	21%	0.209	18%	0.179	C	C	.	.			trans	44.8	44.3	179.5	-57.8	179.6	0	0	0	113.6	I740 R763 I786 K840	I740-L767 HydrophobicContact CD1-CD2 3.95Å; R763-L767 WeakPolarHBondContact O-CA 3.48Å; R763-L767 PolarHBondContact O-N 2.95Å; L767-I786 HydrophobicContact CB-CG1 4.49Å; L767-I786 VanDerWaalsContact O-CG1 3.24Å; L767-I786 WeakPolarHBondContact O-CG1 3.21Å; L767-I786 PolarHBondContact O-N 3.35Å; L767-K840 HydrophobicContact CD1-CD 4.08Å; L767-K840 HydrophobicContact CD2-CB 4.4Å; L767-K840 HydrophobicContact CD2-CD 3.85Å; L767-K840 HydrophobicContact CD2-CG 3.99Å
768	K	86.5	Confident	86.7	Confident	65 Å²	65	39.5 Å²	39.5	28%	0.283	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127	168	-69.6	-174.3	-167.9	128.1	0	111.2	R763 D766 V770 L784 L785	R763-K768 PolarHBondContact N-O 3.35Å; D766-K768 PolarHBondContact O-N 3.41Å; D766-K768 VanDerWaalsContact O-N 3.11Å; D766-K768 WeakPolarHBondContact OD2-CD 3.25Å; D766-K768 VanDerWaalsContact OD2-CE 3.23Å; D766-K768 WeakPolarHBondContact OD2-CE 3.49Å; D766-K768 IonicContact OD2-NZ 2.75Å; D766-K768 PolarHBondContact OD2-NZ 3.23Å; K768-V770 HydrophobicContact CB-CG2 3.9Å; K768-L784 CarbonylContact C-O 3.47Å; K768-L784 VanDerWaalsContact CA-O 3.29Å; K768-L784 WeakPolarHBondContact CA-O 3.35Å; K768-L785 HydrophobicContact CG-CD1 4.3Å
769	L	88.8	Confident	86.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.3	163	-177.2	62.9	0	0	0	108.3	L761 F771 L784 I786 L804 F822 W833	L761-L769 WeakPolarHBondContact O-CA 3.42Å; L769-F771 HydrophobicContact CD2-CE2 3.86Å; L769-F771 HydrophobicContact CD2-CZ 3.78Å; L769-F771 HydrophobicContact CG-CE2 3.7Å; L769-F771 HydrophobicContact CG-CZ 3.94Å; L769-L784 PolarHBondContact N-O 3.31Å; L769-L784 PolarHBondContact O-N 2.87Å; L769-I786 HydrophobicContact CB-CG2 3.72Å; L769-I786 HydrophobicContact CD2-CG2 4.32Å; L769-L804 HydrophobicContact CD2-CD2 4.2Å; L769-F822 HydrophobicContact CD2-CE1 4.04Å; L769-W833 HydrophobicContact CD1-CH2 3.87Å; L769-W833 HydrophobicContact CD1-CZ3 3.6Å
770	V	89.1	Confident	86.3	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.3	-171.6	-175.9	0	0	0	0	110.7	A760 L761 R763 K768 Y772 E783	A760-V770 CarbonylContact C-O 3.56Å; A760-V770 VanDerWaalsContact CA-O 3.29Å; A760-V770 WeakPolarHBondContact CA-O 3.42Å; L761-V770 HydrophobicContact CD1-CB 4.44Å; L761-V770 HydrophobicContact CG-CB 4.46Å; L761-V770 PolarHBondContact N-O 3.13Å; L761-V770 PolarHBondContact O-N 2.85Å; R763-V770 HydrophobicContact CG-CG2 4.33Å; K768-V770 HydrophobicContact CB-CG2 3.9Å; V770-Y772 HydrophobicContact CB-CE2 4.08Å; V770-Y772 HydrophobicContact CG1-CD2 4.24Å; V770-Y772 HydrophobicContact CG1-CE1 4.31Å; V770-Y772 HydrophobicContact CG1-CE2 3.47Å; V770-Y772 VanDerWaalsContact CG1-CE2 3.47Å; V770-E783 HydrophobicContact CB-CG 4.38Å; V770-E783 HydrophobicContact CG1-CG 3.81Å; V770-E783 HydrophobicContact CG2-CG 3.97Å
771	F	89.6	Confident	86.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135	179.8	-59.9	-100.3	0	0	0	111.2	V745 L747 R758 H759 A760 L769 S780 V781 L782 L784 I820 F822	V745-F771 HydrophobicContact CG2-CD1 3.97Å; V745-F771 HydrophobicContact CG2-CE1 3.9Å; L747-F771 HydrophobicContact CB-CE1 4.47Å; L747-F771 HydrophobicContact CD1-CD1 4.38Å; L747-F771 HydrophobicContact CD1-CE1 3.82Å; L747-F771 HydrophobicContact CD1-CZ 4.03Å; L747-F771 HydrophobicContact CD2-CD1 3.89Å; L747-F771 HydrophobicContact CD2-CE1 4.17Å; L747-F771 HydrophobicContact CD2-CG 4.15Å; L747-F771 HydrophobicContact CG-CE1 4.38Å; R758-F771 HydrophobicContact CB-CB 4.48Å; R758-F771 HydrophobicContact CB-CD1 4.21Å; H759-F771 CarbonylContact O-C 3.54Å; H759-F771 WeakPolarHBondContact O-CA 3.2Å; A760-F771 HydrophobicContact CB-CD1 3.69Å; A760-F771 HydrophobicContact CB-CE1 3.78Å; A760-F771 HydrophobicContact CB-CG 4.36Å; A760-F771 HydrophobicContact CB-CZ 4.5Å; L769-F771 HydrophobicContact CD2-CE2 3.86Å; L769-F771 HydrophobicContact CD2-CZ 3.78Å; L769-F771 HydrophobicContact CG-CE2 3.7Å; L769-F771 HydrophobicContact CG-CZ 3.94Å; F771-S780 CarbonylContact O-C 3.49Å; F771-S780 WeakPolarHBondContact O-CA 3.4Å; F771-V781 PolarHBondContact O-N 2.79Å; F771-L782 HydrophobicContact CB-CB 4.3Å; F771-L782 HydrophobicContact CD2-CB 4.05Å; F771-L782 HydrophobicContact CD2-CD2 4Å; F771-L782 HydrophobicContact CD2-CG 4.07Å; F771-L782 HydrophobicContact CE2-CD2 4.19Å; F771-L782 PolarHBondContact N-O 2.88Å; F771-L784 HydrophobicContact CE2-CD1 4.16Å; F771-I820 HydrophobicContact CZ-CG2 4.49Å; F771-F822 HydrophobicContact CE1-CD1 4.27Å; F771-F822 HydrophobicContact CE1-CG 4.46Å; F771-F822 HydrophobicContact CZ-CD1 4.1Å; F771-F822 HydrophobicContact CZ-CE1 4.48Å
772	Y	88.9	Confident	85.8	Confident	23 Å²	23	47 Å²	47	9%	0.09	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	160.3	178	-61	-90.2	0	0	0	111.1	R758 H759 L761 V770 A774 D777 K779	R758-Y772 WeakPolarHBondContact CA-O 3.43Å; R758-Y772 WeakPolarHBondContact CB-O 3.29Å; R758-Y772 VanDerWaalsContact CD-O 3.31Å; R758-Y772 WeakPolarHBondContact CD-O 3.33Å; H759-Y772 PolarHBondContact N-O 2.88Å; H759-Y772 PolarHBondContact O-N 3.22Å; L761-Y772 HydrophobicContact CD2-CD2 4.37Å; L761-Y772 HydrophobicContact CD2-CE2 3.57Å; L761-Y772 HydrophobicContact CG-CE2 3.99Å; V770-Y772 HydrophobicContact CB-CE2 4.08Å; V770-Y772 HydrophobicContact CG1-CD2 4.24Å; V770-Y772 HydrophobicContact CG1-CE1 4.31Å; V770-Y772 HydrophobicContact CG1-CE2 3.47Å; V770-Y772 VanDerWaalsContact CG1-CE2 3.47Å; Y772-A774 WeakPolarHBondContact CB-O 3.33Å; Y772-D777 HydrophobicContact CD1-CB 4.35Å; Y772-D777 VanDerWaalsContact CD1-O 3.27Å; Y772-D777 WeakPolarHBondContact CD1-O 3.49Å; Y772-D777 WeakPolarHBondContact CE1-O 3.24Å; Y772-K779 WeakPolarHBondContact CD1-O 3.36Å
773	K	85.7	Confident	85.7	Confident	130 Å²	130	51.6 Å²	51.6	57%	0.565	25%	0.252	S	S	*	.	S	Bend	trans	-72	-52.4	173.3	-60.5	-179	-175.6	170.8	0	110.3	N622 H759 D777 V781	N622-K773 WeakPolarHBondContact ND2-CB 3.32Å; H759-K773 PolarHBondContact ND1-O 2.9Å; K773-D777 WeakPolarHBondContact CB-OD2 3.34Å; K773-V781 HydrophobicContact CB-CG2 4.49Å; K773-V781 HydrophobicContact CD-CG2 4.43Å; K773-V781 HydrophobicContact CG-CG2 3.45Å; K773-V781 VanDerWaalsContact CG-CG2 3.45Å
774	A	87.1	Confident	85.6	Confident	3 Å²	3	49.9 Å²	49.9	3%	0.025	25%	0.248	C	C	.	.	S	Bend	trans	-124.9	164.8	170.9	0	0	0	0	0	111.6	N619 N622 Y772 L776 D777	N619-A774 VanDerWaalsContact O-CB 3.28Å; N619-A774 WeakPolarHBondContact O-CB 3.44Å; N622-A774 VanDerWaalsContact ND2-CB 3.29Å; N622-A774 WeakPolarHBondContact ND2-CB 3.49Å; N622-A774 PolarHBondContact ND2-N 3.12Å; Y772-A774 WeakPolarHBondContact CB-O 3.33Å; A774-L776 PolarHBondContact O-N 3.44Å; A774-D777 PolarHBondContact N-OD2 2.93Å; A774-D777 PolarHBondContact O-N 2.77Å
775	E	84.7	Confident	85.6	Confident	31 Å²	31	48.7 Å²	48.7	15%	0.145	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-50.8	-172.3	164.2	162	-139.4	0	0	113.9	I620 K735 R736 F742	I620-E775 HydrophobicContact CG1-CB 4.23Å; I620-E775 HydrophobicContact CG1-CG 4.43Å; I620-E775 PolarHBondContact O-N 3.17Å; K735-E775 PolarHBondContact NZ-O 2.91Å; R736-E775 IonicContact CZ-OE1 3.05Å; R736-E775 IonicContact NE-OE1 3.57Å; R736-E775 PolarHBondContact NE-OE1 3Å; R736-E775 IonicContact NH2-OE1 3.42Å; R736-E775 PolarHBondContact NH2-OE1 2.87Å; R736-E775 IonicContact NH2-OE2 3.42Å; F742-E775 HydrophobicContact CE1-CG 4.09Å; F742-E775 VanDerWaalsContact CE1-OE1 3.28Å; F742-E775 WeakPolarHBondContact CE1-OE1 3.38Å; F742-E775 HydrophobicContact CE2-CG 4.39Å; F742-E775 HydrophobicContact CZ-CB 3.87Å; F742-E775 HydrophobicContact CZ-CG 3.54Å
776	L	86.1	Confident	85.7	Confident	14 Å²	14	43.6 Å²	43.6	7%	0.073	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.2	-172.9	-56.8	-174.9	0	0	0	114.5	L616 I620 L625 R730 V732 A774	L616-L776 HydrophobicContact CD1-CD1 4.45Å; I620-L776 HydrophobicContact CD1-CD1 4.1Å; I620-L776 HydrophobicContact CD1-CG 4.39Å; I620-L776 HydrophobicContact CG1-CD1 4.26Å; I620-L776 HydrophobicContact CG1-CG 4.18Å; I620-L776 HydrophobicContact CG2-CD1 4.03Å; I620-L776 PolarHBondContact O-N 2.79Å; L625-L776 HydrophobicContact CD1-CD1 3.93Å; L625-L776 HydrophobicContact CD2-CB 3.69Å; L625-L776 HydrophobicContact CD2-CD1 4.26Å; R730-L776 PolarHBondContact NH1-O 2.81Å; V732-L776 HydrophobicContact CB-CD2 4.3Å; V732-L776 HydrophobicContact CG1-CD1 4.32Å; V732-L776 HydrophobicContact CG1-CD2 3.46Å; V732-L776 VanDerWaalsContact CG1-CD2 3.46Å; V732-L776 HydrophobicContact CG2-CD1 4.06Å; V732-L776 HydrophobicContact CG2-CD2 4Å; A774-L776 PolarHBondContact O-N 3.44Å
777	D	87.1	Confident	85.5	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	25%	0.247	C	C	.	.			trans	-65.3	138	175.6	-65.2	-11.8	0	0	0	110.6	S621 N622 K735 Y772 K773 A774	S621-D777 VanDerWaalsContact CA-OD1 3.24Å; S621-D777 WeakPolarHBondContact CA-OD1 3.21Å; S621-D777 WeakPolarHBondContact CB-OD1 3.27Å; S621-D777 PolarHBondContact OG-OD1 3.08Å; N622-D777 PolarHBondContact N-OD1 2.79Å; N622-D777 PolarHBondContact ND2-OD2 2.83Å; K735-D777 PolarHBondContact NZ-O 3.48Å; Y772-D777 HydrophobicContact CD1-CB 4.35Å; Y772-D777 VanDerWaalsContact CD1-O 3.27Å; Y772-D777 WeakPolarHBondContact CD1-O 3.49Å; Y772-D777 WeakPolarHBondContact CE1-O 3.24Å; K773-D777 WeakPolarHBondContact CB-OD2 3.34Å; A774-D777 PolarHBondContact N-OD2 2.93Å; A774-D777 PolarHBondContact O-N 2.77Å
778	S	83.6	Confident	85	Confident	67 Å²	67	49.1 Å²	49.1	47%	0.469	24%	0.244	S	C	.	.	S	Bend	trans	-78.9	-36.2	176.7	60.6	0	0	0	0	112.1	E623	E623-S778 VanDerWaalsContact OE1-CB 3.24Å; E623-S778 WeakPolarHBondContact OE1-CB 3.47Å; E623-S778 PolarHBondContact OE1-N 2.6Å; E623-S778 PolarHBondContact OE1-OG 3.25Å
779	K	84.4	Confident	84.7	Confident	99 Å²	99	47.5 Å²	47.5	43%	0.43	24%	0.237	S	C	.	.	S	Bend	trans	-85.6	124.7	-177	-55.7	178.8	-163.7	176.8	0	111.2	E632 Y772	E632-K779 IonicContact OE1-NZ 3.91Å; E632-K779 PolarHBondContact OE1-NZ 3.25Å; Y772-K779 WeakPolarHBondContact CD1-O 3.36Å
780	S	86.1	Confident	84.4	Confident	44 Å²	44	49.4 Å²	49.4	31%	0.308	25%	0.245	S	C	.	.			trans	-65.4	160.2	166.9	49.3	0	0	0	0	111.8	F771 E783	F771-S780 CarbonylContact O-C 3.49Å; F771-S780 WeakPolarHBondContact O-CA 3.4Å; S780-E783 VanDerWaalsContact CB-OE1 3.28Å; S780-E783 WeakPolarHBondContact CB-OE1 3.29Å; S780-E783 PolarHBondContact OG-OE1 2.94Å
781	V	85.6	Confident	84.1	Confident	67 Å²	67	49.8 Å²	49.8	41%	0.406	25%	0.246	S	C	.	.	S	Bend	trans	-105.9	-31.6	171.3	-178.1	0	0	0	0	110.2	F771 K773	F771-V781 PolarHBondContact O-N 2.79Å; K773-V781 HydrophobicContact CB-CG2 4.49Å; K773-V781 HydrophobicContact CD-CG2 4.43Å; K773-V781 HydrophobicContact CG-CG2 3.45Å; K773-V781 VanDerWaalsContact CG-CG2 3.45Å
782	L	83.3	Confident	83.8	Confident	45 Å²	45	54 Å²	54	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	134	-179.6	176.6	59.2	0	0	0	107.7	L747 F749 F771 L784	L747-L782 HydrophobicContact CD2-CD2 4.27Å; F749-L782 HydrophobicContact CE1-CD2 4.32Å; F749-L782 HydrophobicContact CZ-CD2 4.17Å; F771-L782 HydrophobicContact CB-CB 4.3Å; F771-L782 HydrophobicContact CD2-CB 4.05Å; F771-L782 HydrophobicContact CD2-CD2 4Å; F771-L782 HydrophobicContact CD2-CG 4.07Å; F771-L782 HydrophobicContact CE2-CD2 4.19Å; F771-L782 PolarHBondContact N-O 2.88Å; L782-L784 HydrophobicContact CD1-CD1 4.28Å; L782-L784 HydrophobicContact CD1-CD2 4.21Å; L782-L784 HydrophobicContact CD1-CG 4Å; L782-L784 HydrophobicContact CD2-CD1 3.81Å; L782-L784 HydrophobicContact CD2-CG 4.41Å; L782-L784 HydrophobicContact CG-CD1 3.92Å; L782-L784 HydrophobicContact CG-CG 3.99Å
783	E	87.2	Confident	83.7	Confident	96 Å²	96	56.7 Å²	56.7	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	172.3	-69.5	-172.5	-155.5	0	0	108.5	V770 S780	V770-E783 HydrophobicContact CB-CG 4.38Å; V770-E783 HydrophobicContact CG1-CG 3.81Å; V770-E783 HydrophobicContact CG2-CG 3.97Å; S780-E783 VanDerWaalsContact CB-OE1 3.28Å; S780-E783 WeakPolarHBondContact CB-OE1 3.29Å; S780-E783 PolarHBondContact OG-OE1 2.94Å
784	L	83.5	Confident	83.7	Confident	31 Å²	31	52.9 Å²	52.9	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.8	-175.9	-71	164.2	0	0	0	109.3	K768 L769 F771 L782 I786 I820	K768-L784 CarbonylContact C-O 3.47Å; K768-L784 VanDerWaalsContact CA-O 3.29Å; K768-L784 WeakPolarHBondContact CA-O 3.35Å; L769-L784 PolarHBondContact N-O 3.31Å; L769-L784 PolarHBondContact O-N 2.87Å; F771-L784 HydrophobicContact CE2-CD1 4.16Å; L782-L784 HydrophobicContact CD1-CD1 4.28Å; L782-L784 HydrophobicContact CD1-CD2 4.21Å; L782-L784 HydrophobicContact CD1-CG 4Å; L782-L784 HydrophobicContact CD2-CD1 3.81Å; L782-L784 HydrophobicContact CD2-CG 4.41Å; L782-L784 HydrophobicContact CG-CD1 3.92Å; L782-L784 HydrophobicContact CG-CG 3.99Å; L784-I786 PolarHBondContact O-N 3.05Å; L784-I820 HydrophobicContact CD1-CB 4.41Å; L784-I820 HydrophobicContact CD1-CD1 3.67Å; L784-I820 HydrophobicContact CD1-CG1 3.68Å; L784-I820 HydrophobicContact CD1-CG2 3.97Å; L784-I820 HydrophobicContact CD2-CD1 4.08Å; L784-I820 HydrophobicContact CG-CD1 4.46Å
785	L	83.3	Confident	83.6	Confident	104 Å²	104	57.1 Å²	57.1	55%	0.545	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.9	168.9	-177.6	67.8	0	0	0	107.9	D766 K768 Y787 Y789	D766-L785 WeakPolarHBondContact O-CD1 3.13Å; K768-L785 HydrophobicContact CG-CD1 4.3Å; L785-Y787 PolarHBondContact O-N 2.62Å; L785-Y789 WeakPolarHBondContact O-CE2 3.42Å
786	I	82.6	Confident	83.6	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	30%	0.303	C	S	.	.			trans	-85.5	10.8	-173.9	58.4	163.4	0	0	0	113.7	L762 L767 L769 L784 G788 Y789 L804 F837 L841	L762-I786 HydrophobicContact CD1-CD1 3.6Å; L762-I786 HydrophobicContact CD1-CG1 4.12Å; L762-I786 HydrophobicContact CD2-CD1 4.11Å; L767-I786 HydrophobicContact CB-CG1 4.49Å; L767-I786 VanDerWaalsContact O-CG1 3.24Å; L767-I786 WeakPolarHBondContact O-CG1 3.21Å; L767-I786 PolarHBondContact O-N 3.35Å; L769-I786 HydrophobicContact CB-CG2 3.72Å; L769-I786 HydrophobicContact CD2-CG2 4.32Å; L784-I786 PolarHBondContact O-N 3.05Å; I786-G788 PolarHBondContact O-N 3.04Å; I786-Y789 HydrophobicContact CB-CD2 4.35Å; I786-Y789 WeakPolarHBondContact O-CB 3.48Å; I786-Y789 WeakPolarHBondContact O-CD2 3.23Å; I786-Y789 PolarHBondContact O-N 3.17Å; I786-L804 HydrophobicContact CB-CD2 4.47Å; I786-L804 HydrophobicContact CG2-CD2 3.82Å; I786-F837 HydrophobicContact CD1-CD1 4.25Å; I786-F837 HydrophobicContact CD1-CE1 4.07Å; I786-L841 HydrophobicContact CB-CD2 4.31Å; I786-L841 HydrophobicContact CD1-CD1 4.07Å; I786-L841 HydrophobicContact CD1-CD2 4.08Å; I786-L841 HydrophobicContact CD1-CG 4.17Å; I786-L841 HydrophobicContact CG1-CD2 4.31Å; I786-L841 WeakPolarHBondContact O-CD2 3.48Å
787	Y	79.2	Confident	83.2	Confident	186 Å²	186	67.4 Å²	67.4	73%	0.729	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.9	174.6	-168.6	-92.6	0	0	0	111	L785 Y789	L785-Y787 PolarHBondContact O-N 2.62Å; Y787-Y789 VanDerWaalsContact C-N 3.29Å; Y787-Y789 PolarHBondContact O-N 3.29Å
788	G	73.2	Confident	82.7	Confident	15 Å²	15	71.3 Å²	71.3	16%	0.155	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	11.9	-178.4	0	0	0	0	0	115.1	I786 H806 R807	I786-G788 PolarHBondContact O-N 3.04Å; G788-H806 PolarHBondContact O-CD2 3.44Å; G788-R807 VanDerWaalsContact O-CB 3.26Å; G788-R807 WeakPolarHBondContact O-CB 3.44Å; G788-R807 WeakPolarHBondContact O-CD 3.4Å; G788-R807 WeakPolarHBondContact O-CG 3.13Å; G788-R807 PolarHBondContact O-N 2.97Å; G788-R807 PolarHBondContact O-NE 2.79Å
789	Y	80.6	Confident	82.9	Confident	32 Å²	32	68.4 Å²	68.4	13%	0.125	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	153.5	166.9	-75.3	-107.7	0	0	0	111.4	L785 I786 Y787 L804 V805 H806 I820	L785-Y789 WeakPolarHBondContact O-CE2 3.42Å; I786-Y789 HydrophobicContact CB-CD2 4.35Å; I786-Y789 WeakPolarHBondContact O-CB 3.48Å; I786-Y789 WeakPolarHBondContact O-CD2 3.23Å; I786-Y789 PolarHBondContact O-N 3.17Å; Y787-Y789 VanDerWaalsContact C-N 3.29Å; Y787-Y789 PolarHBondContact O-N 3.29Å; Y789-L804 HydrophobicContact CD1-CB 3.9Å; Y789-V805 CarbonylContact C-O 3.6Å; Y789-V805 WeakPolarHBondContact CA-O 3.46Å; Y789-V805 VanDerWaalsContact CD1-C 3.49Å; Y789-H806 HydrophobicContact CD1-CB 4.08Å; Y789-H806 HydrophobicContact CD2-CB 4.43Å; Y789-H806 AromaticContact CD2-CD2 3.76Å; Y789-H806 HydrophobicContact CE1-CB 3.81Å; Y789-H806 HydrophobicContact CE2-CB 4.19Å; Y789-H806 AromaticContact CE2-CD2 3.71Å; Y789-H806 HydrophobicContact CG-CB 4.4Å; Y789-I820 HydrophobicContact CE1-CD1 3.73Å
790	F	80.7	Confident	83	Confident	39 Å²	39	67.4 Å²	67.4	17%	0.171	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	154.2	154.1	-61.7	-70	0	0	0	108.7	L804 V805 R807 E842 D844	F790-L804 WeakPolarHBondContact O-CA 3.38Å; F790-V805 PolarHBondContact N-O 3.01Å; F790-V805 PolarHBondContact O-N 3.24Å; F790-R807 HydrophobicContact CD2-CG 3.93Å; F790-R807 HydrophobicContact CE2-CB 4.43Å; F790-R807 HydrophobicContact CE2-CG 3.35Å; F790-R807 HydrophobicContact CZ-CG 3.69Å; F790-E842 WeakPolarHBondContact CA-O 3.45Å; F790-E842 HydrophobicContact CD1-CB 3.69Å; F790-E842 HydrophobicContact CE1-CB 3.74Å; F790-D844 HydrophobicContact CB-CB 4.02Å
791	Y	84.8	Confident	83.1	Confident	10 Å²	10	67.1 Å²	67.1	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.9	168.9	82.4	-77.8	0	0	0	112	F802 E803 F837 L841 E842 L843 D844	Y791-F802 HydrophobicContact CD2-CD1 4.43Å; Y791-E803 CarbonylContact C-O 3.54Å; Y791-E803 WeakPolarHBondContact CA-O 3.31Å; Y791-F837 HydrophobicContact CD1-CB 3.81Å; Y791-F837 HydrophobicContact CD2-CB 4.05Å; Y791-F837 HydrophobicContact CD2-CD2 4.25Å; Y791-F837 HydrophobicContact CE1-CB 3.84Å; Y791-F837 HydrophobicContact CE2-CB 4.09Å; Y791-F837 HydrophobicContact CG-CB 3.91Å; Y791-F837 HydrophobicContact CG-CD2 4.47Å; Y791-F837 HydrophobicContact CG-CG 4.4Å; Y791-L841 HydrophobicContact CD1-CB 3.84Å; Y791-L841 HydrophobicContact CD1-CD1 4.27Å; Y791-L841 HydrophobicContact CE1-CB 4.44Å; Y791-E842 PolarHBondContact N-O 3.17Å; Y791-L843 HydrophobicContact CD1-CD2 4.5Å; Y791-L843 HydrophobicContact CD2-CD2 4.47Å; Y791-L843 HydrophobicContact CE1-CD2 3.89Å; Y791-L843 HydrophobicContact CE1-CG 3.81Å; Y791-L843 HydrophobicContact CE2-CD2 3.85Å; Y791-D844 PolarHBondContact O-N 3.34Å
792	R	82.4	Confident	83.2	Confident	87 Å²	87	63.9 Å²	63.9	33%	0.328	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.1	169.9	-176	-173.4	-59.1	143.9	-0.6	108.7	F802 E803 D844	R792-F802 WeakPolarHBondContact O-CA 3.33Å; R792-E803 HydrophobicContact CB-CB 4.42Å; R792-E803 IonicContact CZ-OE2 3.34Å; R792-E803 PolarHBondContact N-O 2.85Å; R792-E803 IonicContact NH1-OE2 3.61Å; R792-E803 PolarHBondContact NH1-OE2 3.5Å; R792-E803 PolarHBondContact O-N 2.97Å; R792-D844 IonicContact CZ-OD2 2.88Å; R792-D844 IonicContact NE-OD2 2.66Å; R792-D844 IonicContact NH2-OD2 2.69Å; R792-D844 PolarHBondContact NH2-OD2 2.96Å
793	E	86.5	Confident	83.4	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.379	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.7	171.1	56.3	-176.2	-135.2	0	0	110.5	L801 F802 S834	E793-L801 CarbonylContact C-O 3.54Å; E793-L801 WeakPolarHBondContact CA-O 3.33Å; E793-F802 HydrophobicContact CB-CD1 4.09Å; E793-F802 HydrophobicContact CB-CE1 3.89Å; E793-S834 WeakPolarHBondContact OE2-CB 3.2Å; E793-S834 PolarHBondContact OE2-OG 2.77Å
794	T	86.1	Confident	83.2	Confident	50 Å²	50	58.9 Å²	58.9	31%	0.307	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.7	-179.4	-55.8	0	0	0	0	109.1	L801	T794-L801 PolarHBondContact N-O 3.36Å; T794-L801 PolarHBondContact O-N 2.8Å
795	P	85.3	Confident	82.9	Confident	92 Å²	92	58.4 Å²	58.4	60%	0.597	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	146.3	173.4	30.7	-34.3	0	0	0	111.1
796	L	83.5	Confident	82.6	Confident	76 Å²	76	56.4 Å²	56.4	40%	0.398	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159	177.5	-64.1	176	0	0	0	109.5	D798 G799 L801 R823	L796-D798 PolarHBondContact O-N 3.1Å; L796-D798 VanDerWaalsContact O-N 3.08Å; L796-G799 PolarHBondContact N-O 3.36Å; L796-G799 PolarHBondContact O-N 3.24Å; L796-G799 VanDerWaalsContact O-N 3.1Å; L796-L801 HydrophobicContact CD1-CB 3.84Å; L796-L801 HydrophobicContact CG-CB 4.36Å; L796-R823 HydrophobicContact CD1-CG 4.44Å
797	D	77.7	Confident	82	Confident	185 Å²	185	61.1 Å²	61.1	99%	0.989	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.2	178	-57.2	-39.6	0	0	0	113.2
798	D	78.2	Confident	81.3	Confident	88 Å²	88	58.6 Å²	58.6	47%	0.471	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	18.7	178.2	81.2	-21	0	0	0	114.4	L796 R823	L796-D798 PolarHBondContact O-N 3.1Å; L796-D798 VanDerWaalsContact O-N 3.08Å; D798-R823 PolarHBondContact O-NH1 2.9Å; D798-R823 WeakPolarHBondContact OD1-CD 3.43Å; D798-R823 IonicContact OD1-CZ 3.51Å; D798-R823 IonicContact OD1-NE 3.72Å; D798-R823 IonicContact OD1-NH1 3.18Å; D798-R823 PolarHBondContact OD1-NH1 2.78Å; D798-R823 IonicContact OD2-CZ 2.72Å; D798-R823 IonicContact OD2-NE 3.88Å; D798-R823 IonicContact OD2-NH1 2.78Å; D798-R823 PolarHBondContact OD2-NH1 2.99Å; D798-R823 IonicContact OD2-NH2 3.56Å; D798-R823 PolarHBondContact OD2-NH2 2.98Å
799	G	86.4	Confident	80.6	Confident	6 Å²	6	59.9 Å²	59.9	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.3	-148.2	170.1	0	0	0	0	0	115.7	L796 V824	L796-G799 PolarHBondContact N-O 3.36Å; L796-G799 PolarHBondContact O-N 3.24Å; L796-G799 VanDerWaalsContact O-N 3.1Å; G799-V824 CarbonylContact C-O 3.39Å; G799-V824 VanDerWaalsContact CA-O 3.26Å; G799-V824 WeakPolarHBondContact CA-O 3.36Å
800	W	87.6	Confident	79.3	Confident	78 Å²	78	64.9 Å²	64.9	30%	0.295	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	175.6	-79.5	-103	0	0	0	110.3	F802 R823 V824 S827 A830	W800-F802 HydrophobicContact CB-CE2 4.09Å; W800-R823 CarbonylContact O-C 3.58Å; W800-R823 VanDerWaalsContact O-CA 3.26Å; W800-R823 WeakPolarHBondContact O-CA 3.46Å; W800-V824 PolarHBondContact N-O 2.63Å; W800-V824 PolarHBondContact O-N 3.07Å; W800-S827 VanDerWaalsContact CH2-CB 3.41Å; W800-S827 WeakPolarHBondContact CH2-OG 3.43Å; W800-S827 VanDerWaalsContact CZ3-CA 3.44Å; W800-A830 HydrophobicContact CB-CB 3.69Å; W800-A830 HydrophobicContact CD2-CB 3.64Å; W800-A830 HydrophobicContact CE3-CB 3.91Å; W800-A830 HydrophobicContact CG-CB 3.52Å
801	L	87.1	Confident	77.8	Confident	38 Å²	38	70.9 Å²	70.9	20%	0.199	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.3	172.6	179.3	67.8	0	0	0	109.9	E793 T794 L796 E803 R823	E793-L801 CarbonylContact C-O 3.54Å; E793-L801 WeakPolarHBondContact CA-O 3.33Å; T794-L801 PolarHBondContact N-O 3.36Å; T794-L801 PolarHBondContact O-N 2.8Å; L796-L801 HydrophobicContact CD1-CB 3.84Å; L796-L801 HydrophobicContact CG-CB 4.36Å; L801-E803 HydrophobicContact CD2-CG 4.3Å; L801-E803 HydrophobicContact CG-CG 4.35Å; L801-R823 HydrophobicContact CD1-CB 4.37Å
802	F	88.5	Confident	76	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.6	168.3	-67.2	-89.9	0	0	0	109.3	Y791 R792 E793 W800 S821 F822 V824 A830 W833 S834 F837	Y791-F802 HydrophobicContact CD2-CD1 4.43Å; R792-F802 WeakPolarHBondContact O-CA 3.33Å; E793-F802 HydrophobicContact CB-CD1 4.09Å; E793-F802 HydrophobicContact CB-CE1 3.89Å; W800-F802 HydrophobicContact CB-CE2 4.09Å; F802-S821 VanDerWaalsContact O-CA 3.3Å; F802-S821 WeakPolarHBondContact O-CA 3.37Å; F802-F822 HydrophobicContact CB-CD2 4.5Å; F802-F822 HydrophobicContact CB-CE1 4.16Å; F802-F822 HydrophobicContact CB-CE2 4.15Å; F802-F822 HydrophobicContact CB-CZ 3.98Å; F802-F822 AromaticContact CD2-CE2 3.98Å; F802-F822 HydrophobicContact CD2-CE2 3.98Å; F802-F822 HydrophobicContact CD2-CZ 4.44Å; F802-F822 HydrophobicContact CG-CE2 4.29Å; F802-F822 HydrophobicContact CG-CZ 4.31Å; F802-F822 PolarHBondContact N-O 3.47Å; F802-F822 PolarHBondContact O-N 2.68Å; F802-V824 HydrophobicContact CD2-CG2 3.91Å; F802-V824 HydrophobicContact CE2-CB 4.37Å; F802-V824 HydrophobicContact CE2-CG2 3.83Å; F802-A830 HydrophobicContact CE2-CB 4.4Å; F802-A830 HydrophobicContact CZ-CB 4.39Å; F802-W833 HydrophobicContact CE1-CB 4.13Å; F802-W833 HydrophobicContact CE2-CB 3.89Å; F802-W833 HydrophobicContact CZ-CB 3.66Å; F802-S834 WeakPolarHBondContact CZ-OG 3.36Å; F802-F837 AromaticContact CD1-CD2 3.96Å; F802-F837 HydrophobicContact CD1-CD2 3.96Å; F802-F837 AromaticContact CD1-CE2 3.97Å; F802-F837 HydrophobicContact CD1-CE2 3.97Å; F802-F837 HydrophobicContact CE1-CD2 4.26Å; F802-F837 HydrophobicContact CG-CE2 4.31Å
803	E	86.5	Confident	74.3	Confident	34 Å²	34	75.4 Å²	75.4	16%	0.159	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	170.3	-59.3	-173	115.5	0	0	109.2	Y791 R792 L801 V819	Y791-E803 CarbonylContact C-O 3.54Å; Y791-E803 WeakPolarHBondContact CA-O 3.31Å; R792-E803 HydrophobicContact CB-CB 4.42Å; R792-E803 IonicContact CZ-OE2 3.34Å; R792-E803 PolarHBondContact N-O 2.85Å; R792-E803 IonicContact NH1-OE2 3.61Å; R792-E803 PolarHBondContact NH1-OE2 3.5Å; R792-E803 PolarHBondContact O-N 2.97Å; L801-E803 HydrophobicContact CD2-CG 4.3Å; L801-E803 HydrophobicContact CG-CG 4.35Å; E803-V819 HydrophobicContact CB-CG1 4.29Å
804	L	83.9	Confident	72.3	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.4	173.7	-69.6	85.3	0	0	0	109.8	L769 I786 Y789 F790 I820 F822 F837 L841	L769-L804 HydrophobicContact CD2-CD2 4.2Å; I786-L804 HydrophobicContact CB-CD2 4.47Å; I786-L804 HydrophobicContact CG2-CD2 3.82Å; Y789-L804 HydrophobicContact CD1-CB 3.9Å; F790-L804 WeakPolarHBondContact O-CA 3.38Å; L804-I820 HydrophobicContact CB-CB 4.45Å; L804-I820 PolarHBondContact N-O 3.29Å; L804-I820 PolarHBondContact O-N 3.2Å; L804-F822 HydrophobicContact CD1-CD1 4.37Å; L804-F822 HydrophobicContact CD1-CE1 3.8Å; L804-F837 HydrophobicContact CD1-CZ 4.34Å; L804-F837 HydrophobicContact CD2-CE1 4.29Å; L804-F837 HydrophobicContact CD2-CZ 4.37Å; L804-L841 HydrophobicContact CD2-CD1 4.14Å
805	V	77.4	Confident	70.4	Confident	21 Å²	21	79.5 Å²	79.5	13%	0.127	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.3	-175.5	-176.3	0	0	0	0	109.8	Y789 F790 V819	Y789-V805 CarbonylContact C-O 3.6Å; Y789-V805 WeakPolarHBondContact CA-O 3.46Å; Y789-V805 VanDerWaalsContact CD1-C 3.49Å; F790-V805 PolarHBondContact N-O 3.01Å; F790-V805 PolarHBondContact O-N 3.24Å; V805-V819 HydrophobicContact CG2-CG1 4.21Å; V805-V819 HydrophobicContact CG2-CG2 4.37Å
806	H	76.4	Confident	68.6	Low	62 Å²	62	79.9 Å²	79.9	29%	0.287	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.9	-175.4	-175.6	-116.6	0	0	0	112.8	G788 Y789 N808 Q809	G788-H806 PolarHBondContact O-CD2 3.44Å; Y789-H806 HydrophobicContact CD1-CB 4.08Å; Y789-H806 HydrophobicContact CD2-CB 4.43Å; Y789-H806 AromaticContact CD2-CD2 3.76Å; Y789-H806 HydrophobicContact CE1-CB 3.81Å; Y789-H806 HydrophobicContact CE2-CB 4.19Å; Y789-H806 AromaticContact CE2-CD2 3.71Å; Y789-H806 HydrophobicContact CG-CB 4.4Å; H806-N808 PolarHBondContact ND1-N 3.49Å; H806-N808 PolarHBondContact O-N 2.98Å; H806-N808 VanDerWaalsContact O-N 3.13Å; H806-Q809 VanDerWaalsContact O-CB 3.28Å; H806-Q809 WeakPolarHBondContact O-CB 3.36Å; H806-Q809 PolarHBondContact O-N 2.88Å
807	R	69.7	Low	67	Low	102 Å²	102	82.5 Å²	82.5	39%	0.385	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.6	-177.9	-82.7	166.1	-151.6	-147.7	7.2	114.8	G788 F790 E842	G788-R807 VanDerWaalsContact O-CB 3.26Å; G788-R807 WeakPolarHBondContact O-CB 3.44Å; G788-R807 WeakPolarHBondContact O-CD 3.4Å; G788-R807 WeakPolarHBondContact O-CG 3.13Å; G788-R807 PolarHBondContact O-N 2.97Å; G788-R807 PolarHBondContact O-NE 2.79Å; F790-R807 HydrophobicContact CD2-CG 3.93Å; F790-R807 HydrophobicContact CE2-CB 4.43Å; F790-R807 HydrophobicContact CE2-CG 3.35Å; F790-R807 HydrophobicContact CZ-CG 3.69Å; R807-E842 IonicContact CZ-OE1 2.8Å; R807-E842 IonicContact CZ-OE2 2.67Å; R807-E842 IonicContact NH1-OE1 3.27Å; R807-E842 PolarHBondContact NH1-OE1 3.25Å; R807-E842 IonicContact NH1-OE2 2.7Å; R807-E842 PolarHBondContact NH1-OE2 3.12Å; R807-E842 IonicContact NH2-OE1 3.72Å; R807-E842 PolarHBondContact NH2-OE1 3.22Å; R807-E842 IonicContact NH2-OE2 2.67Å; R807-E842 PolarHBondContact NH2-OE2 2.82Å
808	N	64.5	Low	66.1	Low	133 Å²	133	79 Å²	79	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.5	-176.9	-59	-10.8	0	0	0	113.4	H806 I810	H806-N808 PolarHBondContact ND1-N 3.49Å; H806-N808 PolarHBondContact O-N 2.98Å; H806-N808 VanDerWaalsContact O-N 3.13Å; N808-I810 PolarHBondContact O-N 2.79Å
809	Q	59.7	Low	65.8	Low	42 Å²	42	76.3 Å²	76.3	20%	0.196	38%	0.38	C	S	.	.			trans	-77.1	107.5	179.4	-169.7	176.4	4.3	0	0	110.3	H806 R811	H806-Q809 VanDerWaalsContact O-CB 3.28Å; H806-Q809 WeakPolarHBondContact O-CB 3.36Å; H806-Q809 PolarHBondContact O-N 2.88Å; Q809-R811 PolarHBondContact O-N 2.95Å; Q809-R811 VanDerWaalsContact O-N 3.11Å
810	I	51.7	Low	65.5	Low	138 Å²	138	77.1 Å²	77.1	71%	0.708	38%	0.382	S	S	*	.			trans	-65.6	112	175.5	-56.1	177.1	0	0	0	108.3	N808 T812 T815	N808-I810 PolarHBondContact O-N 2.79Å; I810-T812 VanDerWaalsContact C-N 3.35Å; I810-T812 HydrophobicContact CG2-CG2 3.97Å; I810-T812 PolarHBondContact O-N 2.71Å; I810-T815 PolarHBondContact O-OG1 2.97Å; I810-T815 VanDerWaalsContact O-OG1 3.13Å
811	R	49.4	Very low	65.4	Low	164 Å²	164	74.1 Å²	74.1	62%	0.619	37%	0.374	S	S	*	.			trans	-69.6	87	174.2	-71.9	-178.3	174.4	166.9	0.5	110.3	Q809 D844 T846	Q809-R811 PolarHBondContact O-N 2.95Å; Q809-R811 VanDerWaalsContact O-N 3.11Å; R811-D844 IonicContact NH2-OD2 2.96Å; R811-T846 PolarHBondContact NH1-OG1 2.93Å; R811-T846 PolarHBondContact NH2-OG1 3.29Å
812	T	47	Very low	65.5	Low	69 Å²	69	72.3 Å²	72.3	42%	0.423	36%	0.364	S	S	.	.			trans	-97.9	158.9	158.2	77.3	0	0	0	0	109.6	I810 D814 T815	I810-T812 VanDerWaalsContact C-N 3.35Å; I810-T812 HydrophobicContact CG2-CG2 3.97Å; I810-T812 PolarHBondContact O-N 2.71Å; T812-D814 PolarHBondContact O-N 2.69Å; T812-T815 PolarHBondContact N-OG1 2.8Å; T812-T815 PolarHBondContact O-N 3.03Å; T812-T815 PolarHBondContact O-OG1 3.27Å; T812-T815 WeakPolarHBondContact OG1-CG2 2.96Å; T812-T815 PolarHBondContact OG1-N 3.18Å; T812-T815 PolarHBondContact OG1-OG1 2.64Å
813	D	48.2	Very low	65.6	Low	124 Å²	124	73.2 Å²	73.2	66%	0.663	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.2	-179.9	-98.3	-59.7	0	0	0	114.3	K816	D813-K816 VanDerWaalsContact O-CD 3.25Å; D813-K816 WeakPolarHBondContact O-CD 3.45Å; D813-K816 WeakPolarHBondContact O-CE 3.32Å; D813-K816 PolarHBondContact O-NZ 3.08Å; D813-K816 IonicContact OD1-NZ 3.45Å; D813-K816 PolarHBondContact OD1-NZ 3.06Å
814	D	44.2	Very low	65.7	Low	149 Å²	149	71.6 Å²	71.6	80%	0.797	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-13.3	-178.4	-61.4	-50	0	0	0	113.9	T812 K816	T812-D814 PolarHBondContact O-N 2.69Å; D814-K816 VanDerWaalsContact C-N 3.34Å; D814-K816 PolarHBondContact O-N 3Å
815	T	45	Very low	65.7	Low	68 Å²	68	74.7 Å²	74.7	42%	0.417	38%	0.376	S	S	.	.			trans	-92.5	53.5	-176.4	47.8	0	0	0	0	113.3	I810 T812 D817	I810-T815 PolarHBondContact O-OG1 2.97Å; I810-T815 VanDerWaalsContact O-OG1 3.13Å; T812-T815 PolarHBondContact N-OG1 2.8Å; T812-T815 PolarHBondContact O-N 3.03Å; T812-T815 PolarHBondContact O-OG1 3.27Å; T812-T815 WeakPolarHBondContact OG1-CG2 2.96Å; T812-T815 PolarHBondContact OG1-N 3.18Å; T812-T815 PolarHBondContact OG1-OG1 2.64Å; T815-D817 PolarHBondContact O-N 3.01Å
816	K	48.9	Very low	65.8	Low	100 Å²	100	77.6 Å²	77.6	44%	0.435	39%	0.391	S	S	.	.			trans	-90.6	12.2	-169.8	-75.2	168.4	175.7	148.5	0	115.5	D813 D814	D813-K816 VanDerWaalsContact O-CD 3.25Å; D813-K816 WeakPolarHBondContact O-CD 3.45Å; D813-K816 WeakPolarHBondContact O-CE 3.32Å; D813-K816 PolarHBondContact O-NZ 3.08Å; D813-K816 IonicContact OD1-NZ 3.45Å; D813-K816 PolarHBondContact OD1-NZ 3.06Å; D814-K816 VanDerWaalsContact C-N 3.34Å; D814-K816 PolarHBondContact O-N 3Å
817	D	48.4	Very low	66.1	Low	131 Å²	131	76.7 Å²	76.7	70%	0.701	39%	0.392	S	S	*	.	S	Bend	trans	-89.1	-31.9	-167	-73.6	-44.5	0	0	0	116.4	T815 V819	T815-D817 PolarHBondContact O-N 3.01Å; D817-V819 PolarHBondContact O-N 2.85Å
818	D	59.1	Low	66.8	Low	112 Å²	112	74.3 Å²	74.3	60%	0.599	39%	0.394	S	S	*	.			trans	-87.9	6.1	-169.9	-62.1	-51.9	0	0	0	115.9	I820	D818-I820 PolarHBondContact O-N 3.3Å
819	V	71.6	Confident	67.7	Low	31 Å²	31	69.9 Å²	69.9	19%	0.188	37%	0.373	C	S	.	.			trans	-77.8	108.7	178.3	-177.7	0	0	0	0	110.3	E803 V805 D817 S821	E803-V819 HydrophobicContact CB-CG1 4.29Å; V805-V819 HydrophobicContact CG2-CG1 4.21Å; V805-V819 HydrophobicContact CG2-CG2 4.37Å; D817-V819 PolarHBondContact O-N 2.85Å; V819-S821 PolarHBondContact O-N 2.8Å
820	I	80.4	Confident	68.9	Low	22 Å²	22	67.9 Å²	67.9	11%	0.113	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.8	176.8	-61.7	123.2	0	0	0	108.5	F771 L784 Y789 L804 D818	F771-I820 HydrophobicContact CZ-CG2 4.49Å; L784-I820 HydrophobicContact CD1-CB 4.41Å; L784-I820 HydrophobicContact CD1-CD1 3.67Å; L784-I820 HydrophobicContact CD1-CG1 3.68Å; L784-I820 HydrophobicContact CD1-CG2 3.97Å; L784-I820 HydrophobicContact CD2-CD1 4.08Å; L784-I820 HydrophobicContact CG-CD1 4.46Å; Y789-I820 HydrophobicContact CE1-CD1 3.73Å; L804-I820 HydrophobicContact CB-CB 4.45Å; L804-I820 PolarHBondContact N-O 3.29Å; L804-I820 PolarHBondContact O-N 3.2Å; D818-I820 PolarHBondContact O-N 3.3Å
821	S	85.9	Confident	70.6	Confident	16 Å²	16	68.4 Å²	68.4	11%	0.112	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.7	-179.8	63.2	0	0	0	0	111.9	S748 F802 V819	S748-S821 PolarHBondContact N-O 2.95Å; S748-S821 PolarHBondContact O-OG 3.35Å; F802-S821 VanDerWaalsContact O-CA 3.3Å; F802-S821 WeakPolarHBondContact O-CA 3.37Å; V819-S821 PolarHBondContact O-N 2.8Å
822	F	88.6	Confident	72.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.5	174.4	69.6	-94.7	0	0	0	111.9	V745 Y746 L747 L769 F771 F802 L804 V824 W833 F837	V745-F822 HydrophobicContact CB-CB 4.4Å; V745-F822 HydrophobicContact CB-CD2 3.75Å; V745-F822 HydrophobicContact CB-CE2 4.43Å; V745-F822 HydrophobicContact CB-CG 4.36Å; V745-F822 HydrophobicContact CG1-CD2 3.66Å; V745-F822 HydrophobicContact CG1-CE2 3.83Å; V745-F822 HydrophobicContact CG2-CD2 4.41Å; Y746-F822 CarbonylContact O-C 3.53Å; Y746-F822 VanDerWaalsContact O-CA 3.27Å; Y746-F822 WeakPolarHBondContact O-CA 3.28Å; L747-F822 HydrophobicContact CD1-CB 4.16Å; L769-F822 HydrophobicContact CD2-CE1 4.04Å; F771-F822 HydrophobicContact CE1-CD1 4.27Å; F771-F822 HydrophobicContact CE1-CG 4.46Å; F771-F822 HydrophobicContact CZ-CD1 4.1Å; F771-F822 HydrophobicContact CZ-CE1 4.48Å; F802-F822 HydrophobicContact CB-CD2 4.5Å; F802-F822 HydrophobicContact CB-CE1 4.16Å; F802-F822 HydrophobicContact CB-CE2 4.15Å; F802-F822 HydrophobicContact CB-CZ 3.98Å; F802-F822 AromaticContact CD2-CE2 3.98Å; F802-F822 HydrophobicContact CD2-CE2 3.98Å; F802-F822 HydrophobicContact CD2-CZ 4.44Å; F802-F822 HydrophobicContact CG-CE2 4.29Å; F802-F822 HydrophobicContact CG-CZ 4.31Å; F802-F822 PolarHBondContact N-O 3.47Å; F802-F822 PolarHBondContact O-N 2.68Å; L804-F822 HydrophobicContact CD1-CD1 4.37Å; L804-F822 HydrophobicContact CD1-CE1 3.8Å; F822-V824 HydrophobicContact CD2-CG2 4.06Å; F822-V824 HydrophobicContact CE2-CG2 3.9Å; F822-W833 HydrophobicContact CE2-CD2 4.14Å; F822-W833 HydrophobicContact CE2-CE3 4.31Å; F822-W833 HydrophobicContact CZ-CD2 4.19Å; F822-W833 AromaticContact CZ-CE3 3.9Å; F822-W833 HydrophobicContact CZ-CE3 3.9Å; F822-W833 HydrophobicContact CZ-CZ3 4.13Å; F822-F837 HydrophobicContact CE1-CE2 4.39Å; F822-F837 HydrophobicContact CE1-CZ 4.15Å; F822-F837 AromaticContact CZ-CE2 3.84Å; F822-F837 HydrophobicContact CZ-CE2 3.84Å; F822-F837 AromaticContact CZ-CZ 3.84Å; F822-F837 HydrophobicContact CZ-CZ 3.84Å
823	R	90.4	Very high	74.4	Confident	18 Å²	18	64.2 Å²	64.2	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	152.3	179.1	-177	177.8	61.9	96.8	-20.2	111.8	V745 Y746 E755 L796 D798 W800 L801	V745-R823 WeakPolarHBondContact CA-O 3.49Å; Y746-R823 PolarHBondContact N-O 2.96Å; Y746-R823 PolarHBondContact O-N 2.94Å; E755-R823 IonicContact OE1-CZ 2.72Å; E755-R823 IonicContact OE1-NE 2.81Å; E755-R823 PolarHBondContact OE1-NE 2.83Å; E755-R823 IonicContact OE1-NH2 3.28Å; E755-R823 IonicContact OE2-CZ 3.67Å; E755-R823 IonicContact OE2-NE 2.73Å; E755-R823 IonicContact OE2-NH2 2.89Å; E755-R823 PolarHBondContact OE2-NH2 2.89Å; L796-R823 HydrophobicContact CD1-CG 4.44Å; D798-R823 PolarHBondContact O-NH1 2.9Å; D798-R823 WeakPolarHBondContact OD1-CD 3.43Å; D798-R823 IonicContact OD1-CZ 3.51Å; D798-R823 IonicContact OD1-NE 3.72Å; D798-R823 IonicContact OD1-NH1 3.18Å; D798-R823 PolarHBondContact OD1-NH1 2.78Å; D798-R823 IonicContact OD2-CZ 2.72Å; D798-R823 IonicContact OD2-NE 3.88Å; D798-R823 IonicContact OD2-NH1 2.78Å; D798-R823 PolarHBondContact OD2-NH1 2.99Å; D798-R823 IonicContact OD2-NH2 3.56Å; D798-R823 PolarHBondContact OD2-NH2 2.98Å; W800-R823 CarbonylContact O-C 3.58Å; W800-R823 VanDerWaalsContact O-CA 3.26Å; W800-R823 WeakPolarHBondContact O-CA 3.46Å; L801-R823 HydrophobicContact CD1-CB 4.37Å
824	V	89.9	Confident	76.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	179.6	-176.7	0	0	0	0	108.8	V745 G799 W800 F802 F822 W833	V745-V824 HydrophobicContact CG1-CG2 4.28Å; G799-V824 CarbonylContact C-O 3.39Å; G799-V824 VanDerWaalsContact CA-O 3.26Å; G799-V824 WeakPolarHBondContact CA-O 3.36Å; W800-V824 PolarHBondContact N-O 2.63Å; W800-V824 PolarHBondContact O-N 3.07Å; F802-V824 HydrophobicContact CD2-CG2 3.91Å; F802-V824 HydrophobicContact CE2-CB 4.37Å; F802-V824 HydrophobicContact CE2-CG2 3.83Å; F822-V824 HydrophobicContact CD2-CG2 4.06Å; F822-V824 HydrophobicContact CE2-CG2 3.9Å; V824-W833 HydrophobicContact CG2-CG 4.4Å
825	D	82.3	Confident	78.2	Confident	66 Å²	66	55.1 Å²	55.1	35%	0.353	30%	0.303	S	S	.	.	S	Bend	trans	-85.5	-9.1	-167.4	48.5	11.2	0	0	0	115.6	R744 Y746	R744-D825 IonicContact NH1-OD2 2.75Å; Y746-D825 HydrophobicContact CE2-CB 3.77Å; Y746-D825 VanDerWaalsContact CE2-OD2 3.28Å; Y746-D825 WeakPolarHBondContact CE2-OD2 3.34Å; Y746-D825 PolarHBondContact OH-OD2 2.56Å
826	N	81.6	Confident	80.1	Confident	83 Å²	83	52.2 Å²	52.2	44%	0.444	29%	0.286	S	S	.	.			trans	-134.7	133.3	-176	-179	-10.9	0	0	0	111.5	A828 S829 A830	N826-A828 VanDerWaalsContact C-N 3.26Å; N826-A828 PolarHBondContact O-N 3.42Å; N826-A828 PolarHBondContact OD1-N 2.98Å; N826-S829 CarbonylContact O-C 3.18Å; N826-S829 WeakPolarHBondContact O-CA 3.09Å; N826-S829 WeakPolarHBondContact O-CB 3.42Å; N826-S829 PolarHBondContact O-N 3.31Å; N826-A830 PolarHBondContact O-N 3.44Å
827	S	82.4	Confident	81.8	Confident	43 Å²	43	47.4 Å²	47.4	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-53.9	-38.6	174.7	-167.1	0	0	0	0	113.3	W800 S829 A830 K831	W800-S827 VanDerWaalsContact CH2-CB 3.41Å; W800-S827 WeakPolarHBondContact CH2-OG 3.43Å; W800-S827 VanDerWaalsContact CZ3-CA 3.44Å; S827-S829 VanDerWaalsContact C-N 3.28Å; S827-S829 PolarHBondContact O-N 2.92Å; S827-A830 PolarHBondContact O-N 3.27Å; S827-K831 WeakPolarHBondContact O-CG 3.28Å; S827-K831 PolarHBondContact O-N 2.95Å
828	A	83.5	Confident	83.4	Confident	52 Å²	52	44.1 Å²	44.1	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-68	-28.1	176.7	0	0	0	0	0	112.9	N826 K832	N826-A828 VanDerWaalsContact C-N 3.26Å; N826-A828 PolarHBondContact O-N 3.42Å; N826-A828 PolarHBondContact OD1-N 2.98Å; A828-K832 WeakPolarHBondContact O-CG 3.44Å
829	S	84.1	Confident	84.1	Confident	39 Å²	39	43.5 Å²	43.5	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-79.3	-40.7	171.2	-61.9	0	0	0	0	110.9	N826 S827 K831 K832 W833	N826-S829 CarbonylContact O-C 3.18Å; N826-S829 WeakPolarHBondContact O-CA 3.09Å; N826-S829 WeakPolarHBondContact O-CB 3.42Å; N826-S829 PolarHBondContact O-N 3.31Å; S827-S829 VanDerWaalsContact C-N 3.28Å; S827-S829 PolarHBondContact O-N 2.92Å; S829-K831 PolarHBondContact O-N 2.67Å; S829-K832 WeakPolarHBondContact O-CB 3.13Å; S829-K832 PolarHBondContact O-N 2.75Å; S829-K832 VanDerWaalsContact O-N 3.14Å; S829-W833 VanDerWaalsContact O-CD1 3.26Å; S829-W833 PolarHBondContact O-N 3.27Å; S829-W833 VanDerWaalsContact O-N 3.1Å
830	A	85.3	Confident	84.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-51.1	176	0	0	0	0	0	111	W800 F802 N826 S827 K832 W833 S834	W800-A830 HydrophobicContact CB-CB 3.69Å; W800-A830 HydrophobicContact CD2-CB 3.64Å; W800-A830 HydrophobicContact CE3-CB 3.91Å; W800-A830 HydrophobicContact CG-CB 3.52Å; F802-A830 HydrophobicContact CE2-CB 4.4Å; F802-A830 HydrophobicContact CZ-CB 4.39Å; N826-A830 PolarHBondContact O-N 3.44Å; S827-A830 PolarHBondContact O-N 3.27Å; A830-K832 PolarHBondContact O-N 3.06Å; A830-K832 VanDerWaalsContact O-N 3.13Å; A830-W833 CarbonylContact O-C 3.57Å; A830-W833 WeakPolarHBondContact O-CA 3.17Å; A830-W833 PolarHBondContact O-N 2.76Å; A830-S834 PolarHBondContact O-N 2.91Å; A830-S834 PolarHBondContact O-OG 2.82Å; A830-S834 VanDerWaalsContact O-OG 3.12Å
831	K	86.4	Confident	83.7	Confident	149 Å²	149	46 Å²	46	65%	0.648	26%	0.261	S	S	*	.	H	α-helix	trans	-52.2	-37	175.1	-73	177.4	-178.9	-175.3	0	113.5	S827 S829 A835	S827-K831 WeakPolarHBondContact O-CG 3.28Å; S827-K831 PolarHBondContact O-N 2.95Å; S829-K831 PolarHBondContact O-N 2.67Å; K831-A835 VanDerWaalsContact O-CB 3.28Å; K831-A835 WeakPolarHBondContact O-CB 3.26Å; K831-A835 PolarHBondContact O-N 3.22Å
832	K	87.5	Confident	82.7	Confident	141 Å²	141	50.1 Å²	50.1	61%	0.613	28%	0.279	S	S	*	.	H	α-helix	trans	-71	-39	176.8	-68.7	173.7	-177.4	-177.4	0	112.3	V741 A828 S829 A830 A836	V741-K832 HydrophobicContact CG2-CB 4.18Å; A828-K832 WeakPolarHBondContact O-CG 3.44Å; S829-K832 WeakPolarHBondContact O-CB 3.13Å; S829-K832 PolarHBondContact O-N 2.75Å; S829-K832 VanDerWaalsContact O-N 3.14Å; A830-K832 PolarHBondContact O-N 3.06Å; A830-K832 VanDerWaalsContact O-N 3.13Å; K832-A836 VanDerWaalsContact O-CB 3.26Å; K832-A836 WeakPolarHBondContact O-CB 3.46Å; K832-A836 PolarHBondContact O-N 3.06Å; K832-A836 VanDerWaalsContact O-N 3.07Å
833	W	88.9	Confident	81.4	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-46.8	173.5	-76.8	104.7	0	0	0	111.8	V741 V745 A760 L769 F802 F822 V824 S829 A830 A835 A836 F837	V741-W833 HydrophobicContact CG1-CD2 4.02Å; V741-W833 HydrophobicContact CG1-CE3 3.51Å; V741-W833 HydrophobicContact CG1-CH2 3.95Å; V741-W833 HydrophobicContact CG1-CZ2 4.41Å; V741-W833 HydrophobicContact CG1-CZ3 3.47Å; V741-W833 VanDerWaalsContact CG1-CZ3 3.47Å; V741-W833 HydrophobicContact CG2-CD2 3.86Å; V741-W833 HydrophobicContact CG2-CE3 4.24Å; V741-W833 HydrophobicContact CG2-CG 4.18Å; V741-W833 HydrophobicContact CG2-CZ2 4.23Å; V745-W833 HydrophobicContact CG1-CZ2 3.92Å; A760-W833 HydrophobicContact CB-CH2 3.63Å; A760-W833 HydrophobicContact CB-CZ2 3.83Å; L769-W833 HydrophobicContact CD1-CH2 3.87Å; L769-W833 HydrophobicContact CD1-CZ3 3.6Å; F802-W833 HydrophobicContact CE1-CB 4.13Å; F802-W833 HydrophobicContact CE2-CB 3.89Å; F802-W833 HydrophobicContact CZ-CB 3.66Å; F822-W833 HydrophobicContact CE2-CD2 4.14Å; F822-W833 HydrophobicContact CE2-CE3 4.31Å; F822-W833 HydrophobicContact CZ-CD2 4.19Å; F822-W833 AromaticContact CZ-CE3 3.9Å; F822-W833 HydrophobicContact CZ-CE3 3.9Å; F822-W833 HydrophobicContact CZ-CZ3 4.13Å; V824-W833 HydrophobicContact CG2-CG 4.4Å; S829-W833 VanDerWaalsContact O-CD1 3.26Å; S829-W833 PolarHBondContact O-N 3.27Å; S829-W833 VanDerWaalsContact O-N 3.1Å; A830-W833 CarbonylContact O-C 3.57Å; A830-W833 WeakPolarHBondContact O-CA 3.17Å; A830-W833 PolarHBondContact O-N 2.76Å; W833-A835 PolarHBondContact O-N 3.27Å; W833-A836 PolarHBondContact O-N 2.86Å; W833-F837 HydrophobicContact CB-CE2 4.4Å; W833-F837 HydrophobicContact CE3-CE1 4.37Å; W833-F837 AromaticContact CE3-CE2 3.79Å; W833-F837 HydrophobicContact CE3-CE2 3.79Å; W833-F837 AromaticContact CE3-CZ 3.63Å; W833-F837 HydrophobicContact CE3-CZ 3.63Å; W833-F837 AromaticContact CZ3-CZ 3.95Å; W833-F837 HydrophobicContact CZ3-CZ 3.95Å; W833-F837 VanDerWaalsContact O-CD2 3.27Å; W833-F837 WeakPolarHBondContact O-CD2 3.41Å; W833-F837 WeakPolarHBondContact O-CG 3.48Å; W833-F837 PolarHBondContact O-N 3.15Å
834	S	86.6	Confident	79.9	Confident	20 Å²	20	55.7 Å²	55.7	14%	0.14	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-46.8	175.2	-56.5	0	0	0	0	112	E793 F802 A830 F837 A838	E793-S834 WeakPolarHBondContact OE2-CB 3.2Å; E793-S834 PolarHBondContact OE2-OG 2.77Å; F802-S834 WeakPolarHBondContact CZ-OG 3.36Å; A830-S834 PolarHBondContact O-N 2.91Å; A830-S834 PolarHBondContact O-OG 2.82Å; A830-S834 VanDerWaalsContact O-OG 3.12Å; S834-F837 PolarHBondContact O-N 3.16Å; S834-A838 VanDerWaalsContact O-CB 3.29Å; S834-A838 WeakPolarHBondContact O-CB 3.2Å; S834-A838 PolarHBondContact O-N 3.38Å
835	A	85.4	Confident	78	Confident	63 Å²	63	60.6 Å²	60.6	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-43.6	177.2	0	0	0	0	0	112.6	K831 W833 F837 A838 D839	K831-A835 VanDerWaalsContact O-CB 3.28Å; K831-A835 WeakPolarHBondContact O-CB 3.26Å; K831-A835 PolarHBondContact O-N 3.22Å; W833-A835 PolarHBondContact O-N 3.27Å; A835-F837 VanDerWaalsContact C-N 3.29Å; A835-F837 PolarHBondContact O-N 3.45Å; A835-A838 PolarHBondContact O-N 3.48Å; A835-D839 WeakPolarHBondContact O-CB 3.38Å; A835-D839 PolarHBondContact O-N 3.21Å; A835-D839 VanDerWaalsContact O-N 3.15Å
836	A	84.6	Confident	76.5	Confident	6 Å²	6	60.3 Å²	60.3	5%	0.05	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-27.8	178.5	0	0	0	0	0	113.5	I740 V741 K832 W833	I740-A836 HydrophobicContact CG2-CB 3.75Å; V741-A836 HydrophobicContact CB-CB 3.79Å; V741-A836 HydrophobicContact CG1-CB 3.47Å; V741-A836 VanDerWaalsContact CG1-CB 3.47Å; K832-A836 VanDerWaalsContact O-CB 3.26Å; K832-A836 WeakPolarHBondContact O-CB 3.46Å; K832-A836 PolarHBondContact O-N 3.06Å; K832-A836 VanDerWaalsContact O-N 3.07Å; W833-A836 PolarHBondContact O-N 2.86Å
837	F	85.7	Confident	74.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-82.3	-43.8	171.8	-67.3	-42.6	0	0	0	112.4	I786 Y791 F802 L804 F822 W833 S834 A835 D839 K840 L841	I786-F837 HydrophobicContact CD1-CD1 4.25Å; I786-F837 HydrophobicContact CD1-CE1 4.07Å; Y791-F837 HydrophobicContact CD1-CB 3.81Å; Y791-F837 HydrophobicContact CD2-CB 4.05Å; Y791-F837 HydrophobicContact CD2-CD2 4.25Å; Y791-F837 HydrophobicContact CE1-CB 3.84Å; Y791-F837 HydrophobicContact CE2-CB 4.09Å; Y791-F837 HydrophobicContact CG-CB 3.91Å; Y791-F837 HydrophobicContact CG-CD2 4.47Å; Y791-F837 HydrophobicContact CG-CG 4.4Å; F802-F837 AromaticContact CD1-CD2 3.96Å; F802-F837 HydrophobicContact CD1-CD2 3.96Å; F802-F837 AromaticContact CD1-CE2 3.97Å; F802-F837 HydrophobicContact CD1-CE2 3.97Å; F802-F837 HydrophobicContact CE1-CD2 4.26Å; F802-F837 HydrophobicContact CG-CE2 4.31Å; L804-F837 HydrophobicContact CD1-CZ 4.34Å; L804-F837 HydrophobicContact CD2-CE1 4.29Å; L804-F837 HydrophobicContact CD2-CZ 4.37Å; F822-F837 HydrophobicContact CE1-CE2 4.39Å; F822-F837 HydrophobicContact CE1-CZ 4.15Å; F822-F837 AromaticContact CZ-CE2 3.84Å; F822-F837 HydrophobicContact CZ-CE2 3.84Å; F822-F837 AromaticContact CZ-CZ 3.84Å; F822-F837 HydrophobicContact CZ-CZ 3.84Å; W833-F837 HydrophobicContact CB-CE2 4.4Å; W833-F837 HydrophobicContact CE3-CE1 4.37Å; W833-F837 AromaticContact CE3-CE2 3.79Å; W833-F837 HydrophobicContact CE3-CE2 3.79Å; W833-F837 AromaticContact CE3-CZ 3.63Å; W833-F837 HydrophobicContact CE3-CZ 3.63Å; W833-F837 AromaticContact CZ3-CZ 3.95Å; W833-F837 HydrophobicContact CZ3-CZ 3.95Å; W833-F837 VanDerWaalsContact O-CD2 3.27Å; W833-F837 WeakPolarHBondContact O-CD2 3.41Å; W833-F837 WeakPolarHBondContact O-CG 3.48Å; W833-F837 PolarHBondContact O-N 3.15Å; S834-F837 PolarHBondContact O-N 3.16Å; A835-F837 VanDerWaalsContact C-N 3.29Å; A835-F837 PolarHBondContact O-N 3.45Å; F837-D839 PolarHBondContact O-N 3.19Å; F837-K840 CarbonylContact O-C 3.56Å; F837-K840 PolarHBondContact O-N 3.26Å; F837-L841 HydrophobicContact CB-CD1 4.29Å; F837-L841 HydrophobicContact CD1-CD1 3.71Å; F837-L841 HydrophobicContact CD1-CG 4.41Å; F837-L841 HydrophobicContact CE1-CD1 4.35Å; F837-L841 HydrophobicContact CG-CD1 4.19Å; F837-L841 WeakPolarHBondContact O-CA 3.34Å; F837-L841 WeakPolarHBondContact O-CB 3.31Å; F837-L841 PolarHBondContact O-N 2.8Å
838	A	81.1	Confident	72.5	Confident	62 Å²	62	73 Å²	73	51%	0.512	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-30.2	178.1	0	0	0	0	0	113.6	S834 A835 K840	S834-A838 VanDerWaalsContact O-CB 3.29Å; S834-A838 WeakPolarHBondContact O-CB 3.2Å; S834-A838 PolarHBondContact O-N 3.38Å; A835-A838 PolarHBondContact O-N 3.48Å; A838-K840 VanDerWaalsContact C-N 3.32Å
839	D	75.1	Confident	71.9	Confident	99 Å²	99	74 Å²	74	53%	0.529	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.5	175.6	173.6	48.9	0	0	0	113.6	A835 F837	A835-D839 WeakPolarHBondContact O-CB 3.38Å; A835-D839 PolarHBondContact O-N 3.21Å; A835-D839 VanDerWaalsContact O-N 3.15Å; F837-D839 PolarHBondContact O-N 3.19Å
840	K	70.1	Confident	71.3	Confident	87 Å²	87	75.8 Å²	75.8	38%	0.378	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	-9.3	-169.6	-64.9	-66	165.2	-77.2	0	116.6	I740 L767 F837 A838	I740-K840 HydrophobicContact CD1-CG 4.22Å; L767-K840 HydrophobicContact CD1-CD 4.08Å; L767-K840 HydrophobicContact CD2-CB 4.4Å; L767-K840 HydrophobicContact CD2-CD 3.85Å; L767-K840 HydrophobicContact CD2-CG 3.99Å; F837-K840 CarbonylContact O-C 3.56Å; F837-K840 PolarHBondContact O-N 3.26Å; A838-K840 VanDerWaalsContact C-N 3.32Å
841	L	72.8	Confident	70.5	Confident	17 Å²	17	80 Å²	80	9%	0.089	46%	0.456	C	S	.	.	S	Bend	trans	-135	150.9	178.3	-61.7	-177.9	0	0	0	109.7	I786 Y791 L804 F837	I786-L841 HydrophobicContact CB-CD2 4.31Å; I786-L841 HydrophobicContact CD1-CD1 4.07Å; I786-L841 HydrophobicContact CD1-CD2 4.08Å; I786-L841 HydrophobicContact CD1-CG 4.17Å; I786-L841 HydrophobicContact CG1-CD2 4.31Å; I786-L841 WeakPolarHBondContact O-CD2 3.48Å; Y791-L841 HydrophobicContact CD1-CB 3.84Å; Y791-L841 HydrophobicContact CD1-CD1 4.27Å; Y791-L841 HydrophobicContact CE1-CB 4.44Å; L804-L841 HydrophobicContact CD2-CD1 4.14Å; F837-L841 HydrophobicContact CB-CD1 4.29Å; F837-L841 HydrophobicContact CD1-CD1 3.71Å; F837-L841 HydrophobicContact CD1-CG 4.41Å; F837-L841 HydrophobicContact CE1-CD1 4.35Å; F837-L841 HydrophobicContact CG-CD1 4.19Å; F837-L841 WeakPolarHBondContact O-CA 3.34Å; F837-L841 WeakPolarHBondContact O-CB 3.31Å; F837-L841 PolarHBondContact O-N 2.8Å
842	E	65.4	Low	69.6	Low	104 Å²	104	75.9 Å²	75.9	49%	0.486	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	147.2	166.2	-73.9	154.3	-119.3	0	0	110	F790 Y791 R807	F790-E842 WeakPolarHBondContact CA-O 3.45Å; F790-E842 HydrophobicContact CD1-CB 3.69Å; F790-E842 HydrophobicContact CE1-CB 3.74Å; Y791-E842 PolarHBondContact N-O 3.17Å; R807-E842 IonicContact CZ-OE1 2.8Å; R807-E842 IonicContact CZ-OE2 2.67Å; R807-E842 IonicContact NH1-OE1 3.27Å; R807-E842 PolarHBondContact NH1-OE1 3.25Å; R807-E842 IonicContact NH1-OE2 2.7Å; R807-E842 PolarHBondContact NH1-OE2 3.12Å; R807-E842 IonicContact NH2-OE1 3.72Å; R807-E842 PolarHBondContact NH2-OE1 3.22Å; R807-E842 IonicContact NH2-OE2 2.67Å; R807-E842 PolarHBondContact NH2-OE2 2.82Å
843	L	61.1	Low	68.5	Low	107 Å²	107	71.9 Å²	71.9	56%	0.56	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.9	166.2	-81	154.2	0	0	0	110	Y791 P845	Y791-L843 HydrophobicContact CD1-CD2 4.5Å; Y791-L843 HydrophobicContact CD2-CD2 4.47Å; Y791-L843 HydrophobicContact CE1-CD2 3.89Å; Y791-L843 HydrophobicContact CE1-CG 3.81Å; Y791-L843 HydrophobicContact CE2-CD2 3.85Å; L843-P845 VanDerWaalsContact O-CD 3.23Å; L843-P845 WeakPolarHBondContact O-CD 3.12Å
844	D	58	Low	67.1	Low	27 Å²	27	76.5 Å²	76.5	14%	0.144	46%	0.462	C	S	.	.			trans	-61.8	113.5	174.8	177.3	6.4	0	0	0	110.7	F790 Y791 R792 R811 T846	F790-D844 HydrophobicContact CB-CB 4.02Å; Y791-D844 PolarHBondContact O-N 3.34Å; R792-D844 IonicContact CZ-OD2 2.88Å; R792-D844 IonicContact NE-OD2 2.66Å; R792-D844 IonicContact NH2-OD2 2.69Å; R792-D844 PolarHBondContact NH2-OD2 2.96Å; R811-D844 IonicContact NH2-OD2 2.96Å; D844-T846 PolarHBondContact O-N 3.04Å; D844-T846 WeakPolarHBondContact OD1-CB 3.35Å; D844-T846 PolarHBondContact OD1-N 3.27Å; D844-T846 PolarHBondContact OD1-OG1 2.69Å; D844-T846 PolarHBondContact OD2-OG1 2.78Å
845	P	49.8	Very low	65.7	Low	103 Å²	103	80.5 Å²	80.5	67%	0.669	49%	0.485	S	S	*	.			trans	-75.2	-4.7	-179.2	32.4	-35.6	0	0	0	113	L843 R847	L843-P845 VanDerWaalsContact O-CD 3.23Å; L843-P845 WeakPolarHBondContact O-CD 3.12Å; P845-R847 VanDerWaalsContact C-N 3.33Å; P845-R847 PolarHBondContact O-N 2.65Å; P845-R847 VanDerWaalsContact O-N 3.17Å
846	T	52	Low	64.2	Low	61 Å²	61	81.8 Å²	81.8	37%	0.374	48%	0.483	S	S	.	.	S	Bend	trans	-91.5	49.6	-171.4	67	0	0	0	0	114.8	R811 D844	R811-T846 PolarHBondContact NH1-OG1 2.93Å; R811-T846 PolarHBondContact NH2-OG1 3.29Å; D844-T846 PolarHBondContact O-N 3.04Å; D844-T846 WeakPolarHBondContact OD1-CB 3.35Å; D844-T846 PolarHBondContact OD1-N 3.27Å; D844-T846 PolarHBondContact OD1-OG1 2.69Å; D844-T846 PolarHBondContact OD2-OG1 2.78Å
847	R	45.2	Very low	62.5	Low	237 Å²	237	88.2 Å²	88.2	89%	0.894	52%	0.519	S	S	*	.			trans	152.5	119.9	151.1	-86.9	161.3	-175.2	-165	1.1	110.5	P845	P845-R847 VanDerWaalsContact C-N 3.33Å; P845-R847 PolarHBondContact O-N 2.65Å; P845-R847 VanDerWaalsContact O-N 3.17Å
848	G	33.8	Very low	60.4	Low	154 Å²	154	96.2 Å²	96.2	100%	1.588	57%	0.566	S	S	*	*			trans	-93.5	0	143.1	0	0	0	0	0	110.2

Retrieved 848 of 848 residues in 180.4 ms (Link to these results)

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