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DNA repair protein complementing XP-C cells

Involved in global genome nucleotide excision repair (GG-NER) by acting as damage sensing and DNA-binding factor component of the XPC complex^{1,2,3,4,5,6,7,8,9,10}. Has only a low DNA repair activity by itself which is stimulated by RAD23B and RAD23A. Has a preference to bind DNA containing a short single-stranded segment but not to damaged oligonucleotides^11,12,13. This feature is proposed to be related to a dynamic sensor function: XPC can rapidly screen duplex DNA for non-hydrogen-bonded bases by forming a transient nucleoprotein intermediate complex which matures into a stable recognition complex through an intrinsic single-stranded DNA-binding activity^14,15,16. The XPC complex is proposed to represent the first factor bound at the sites of DNA damage and together with other core recognition factors, XPA, RPA and the TFIIH complex, is part of the pre-incision (or initial recognition) complex^{17,18,19,20,21,22,23}. The XPC complex recognizes a wide spectrum of damaged DNA characterized by distortions of the DNA helix such as single-stranded loops, mismatched bubbles or single-stranded overhangs^{24,25,26,27,28,29,30}. The orientation of XPC complex binding appears to be crucial for inducing a productive NER^{31,32,33,34,35,36,37}. XPC complex is proposed to recognize and to interact with unpaired bases on the undamaged DNA strand which is followed by recruitment of the TFIIH complex and subsequent scanning for lesions in the opposite strand in a 5'-to-3' direction by the NER machinery^{38,39,40,41,42,43,44}. Cyclobutane pyrimidine dimers (CPDs) which are formed upon UV-induced DNA damage esacpe detection by the XPC complex due to a low degree of structural perurbation. Instead they are detected by the UV-DDB complex which in turn recruits and cooperates with the XPC complex in the respective DNA repair^{45,46,47,48,49,50,51}. In vitro, the XPC:RAD23B dimer is sufficient to initiate NER; it preferentially binds to cisplatin and UV-damaged double-stranded DNA and also binds to a variety of chemically and structurally diverse DNA adducts⁵². XPC:RAD23B contacts DNA both 5' and 3' of a cisplatin lesion with a preference for the 5' side. XPC:RAD23B induces a bend in DNA upon binding. XPC:RAD23B stimulates the activity of DNA glycosylases TDG and SMUG1⁵³. In absence of DNA repair, the XPC complex also acts as a transcription coactivator: XPC interacts with the DNA-binding transcription factor E2F1 at a subset of promoters to recruit KAT2A and histone acetyltransferase complexes (HAT)^54,55. KAT2A recruitment specifically promotes acetylation of histone variant H2A.Z.1/H2A.Z, but not H2A.Z.2/H2A.V, thereby promoting expression of target genes⁵⁶.

AlphaFold DB , UniProt , Accession Q01831, Species HUMAN (Homo sapiens, Human), Gene XPC, Length 940 aa.

						>XPC_HUMAN|Q01831|XPC
MARKRAAGGEPRGRELRSQKSKAKSKARREEEEEDAFEDEKPPKKSLLSKVSQGKRKRGCSHPGGSADGPAKKKVAKVTVKSENLKVIKDEALSDGDDLRDFPSDLKKAHHLKRGATMNEDSNEEEEESENDWEEVEELSEPVLGDVRESTAFSRSLLPVKPVEIEIETPEQAKTRERSEKIKLEFETYLRRAMKRFNKGVHEDTHKVHLLCLLANGFYRNNICSQPDLHAIGLSIIPARFTRVLPRDVDTYYLSNLVKWFIGTFTVNAELSASEQDNLQTTLERRFAIYSARDDEELVHIFLLILRALQLLTRLVLSLQPIPLKSATAKGKKPSKERLTADPGGSSETSSQVLENHTKPKTSKGTKQEETFAKGTCRPSAKGKRNKGGRKKRSKPSSSEEDEGPGDKQEKATQRRPHGRERRVASRVSYKEESGSDEAGSGSDFELSSGEASDPSDEDSEPGPPKQRKAPAPQRTKAGSKSASRTHRGSHRKDPSLPAASSSSSSSKRGKKMCSDGEKAEKRSIAGIDQWLEVFCEQEEKWVCVDCVHGVVGQPLTCYKYATKPMTYVVGIDSDGWVRDVTQRYDPVWMTVTRKCRVDAEWWAETLRPYQSPFMDREKKEDLEFQAKHMDQPLPTAIGLYKNHPLYALKRHLLKYEAIYPETAAILGYCRGEAVYSRDCVHTLHSRDTWLKKARVVRLGEVPYKMVKGFSNRARKARLAEPQLREENDLGLFGYWQTEEYQPPVAVDGKVPRNEFGNVYLFLPSMMPIGCVQLNLPNLHRVARKLDIDCVQAITGFDFHGGYSHPVTDGYIVCEEFKDVLLTAWENEQAVIERKEKEKKEKRALGNWKLLAKGLLIRERLKRRYGPKSEAAAPHTDAGGGLSSDEEEGTSSQAEAARILAASWPQNREDEEKQKLKGGPKKTKREKKAAASHLFPFEQL
					

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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	40.6	Very low	42.5	Very low	252 Å²	252	156.2 Å²	156.2	100%	1.241	90%	0.895	S	S	*	*				0	129.1	0	-60.9	-178.6	-171.1	0	0	107.6
2	A	43.3	Very low	42.2	Very low	107 Å²	107	163.5 Å²	163.5	88%	0.884	90%	0.898	S	S	*	*			trans	-137.6	104.3	177.9	0	0	0	0	0	109.8
3	R	50.1	Low	41.6	Very low	245 Å²	245	157.4 Å²	157.4	93%	0.925	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-89.8	122.7	168.3	-82.1	-177.6	168.6	179.5	-4	108	R5	R3-R5 PolarHBondContact O-N 3.43Å
4	K	43.3	Very low	41.4	Very low	183 Å²	183	163.9 Å²	163.9	80%	0.796	90%	0.898	S	S	*	*	P	Polyproline II helix	trans	-53.2	124	160.8	-87.9	-178.5	169.9	-178.8	0	108.1
5	R	47.2	Very low	41	Very low	247 Å²	247	164.7 Å²	164.7	93%	0.932	89%	0.893	S	S	*	*	P	Polyproline II helix	trans	-93.2	123.5	156.8	-80	-173.1	171.7	-171.4	-2.5	107.5	R3	R3-R5 PolarHBondContact O-N 3.43Å
6	A	39.9	Very low	41	Very low	104 Å²	104	165.9 Å²	165.9	86%	0.86	90%	0.897	S	S	*	*	P	Polyproline II helix	trans	-90.2	140.5	163.5	0	0	0	0	0	108
7	A	47.5	Very low	40.7	Very low	109 Å²	109	168.8 Å²	168.8	90%	0.901	89%	0.892	S	S	*	*			trans	-129.7	110.8	167.9	0	0	0	0	0	107.2
8	G	37.5	Very low	40.5	Very low	84 Å²	84	165.4 Å²	165.4	87%	0.866	89%	0.885	S	S	*	*			trans	-110.6	143.2	164.8	0	0	0	0	0	108.3
9	G	40.6	Very low	40.4	Very low	74 Å²	74	166.3 Å²	166.3	76%	0.763	88%	0.883	S	S	*	*			trans	157.9	77	-178	0	0	0	0	0	112.6
10	E	34.7	Very low	40.2	Very low	192 Å²	192	168.5 Å²	168.5	90%	0.897	89%	0.885	S	S	*	*			trans	-65.1	152.2	159.6	-69.3	-172.2	119.7	0	0	110.7
11	P	42.6	Very low	40.1	Very low	121 Å²	121	166.2 Å²	166.2	79%	0.786	88%	0.882	S	S	*	*			trans	-132.3	117.1	136.1	33.1	-20.7	0	0	0	113.1
12	R	39	Very low	39.9	Very low	244 Å²	244	164.5 Å²	164.5	92%	0.921	87%	0.868	S	S	*	*			trans	18.6	116.4	143.4	-63	-177.9	174.1	-159.7	-3.7	117.5
13	G	34.5	Very low	39.7	Very low	84 Å²	84	164.2 Å²	164.2	87%	0.866	87%	0.866	S	S	*	*			trans	-74.6	-177.6	177.2	0	0	0	0	0	116
14	R	39	Very low	39	Very low	249 Å²	249	162.8 Å²	162.8	94%	0.94	87%	0.866	S	S	*	*			trans	-146.8	114.3	171.7	-158.8	177.4	-167.4	-167.1	3.4	109.4
15	E	35.5	Very low	38.7	Very low	175 Å²	175	159.8 Å²	159.8	82%	0.818	87%	0.868	S	S	*	*			trans	-65.7	147.6	172.9	-65.9	-179.1	111.1	0	0	111.3
16	L	40.8	Very low	38.1	Very low	184 Å²	184	157.9 Å²	157.9	96%	0.963	87%	0.867	S	S	*	*			trans	-133	131.1	151.4	-99.2	168.2	0	0	0	109.8
17	R	35.7	Very low	37.8	Very low	215 Å²	215	157.4 Å²	157.4	81%	0.811	86%	0.863	S	S	*	*			trans	-96.4	162.3	-169	-112.3	176.4	172.2	-170.4	-1.3	111.7
18	S	37.1	Very low	37.2	Very low	108 Å²	108	161.9 Å²	161.9	76%	0.755	86%	0.856	S	S	*	*			trans	74.6	152.2	160.1	81.4	0	0	0	0	116.1
19	Q	39.3	Very low	36.8	Very low	183 Å²	183	169.7 Å²	169.7	86%	0.855	86%	0.86	S	S	*	*			cis	-150.8	151.1	13.5	-146.2	162.4	42.1	0	0	111.6
20	K	35.1	Very low	36.8	Very low	210 Å²	210	172 Å²	172	91%	0.913	85%	0.85	S	S	*	*			trans	-83.2	136.9	177.1	-79.6	176.3	174.8	170.8	0	111.7
21	S	39.2	Very low	36.8	Very low	120 Å²	120	170.8 Å²	170.8	84%	0.839	85%	0.845	S	S	*	*			trans	-143.8	125.2	154.7	55.6	0	0	0	0	111.5
22	K	35.8	Very low	36.4	Very low	217 Å²	217	173.7 Å²	173.7	94%	0.943	85%	0.848	S	S	*	*			trans	-79.4	135.7	174.2	-73.2	175.1	173.7	175	0	110.3
23	A	40.4	Very low	36.2	Very low	101 Å²	101	171.8 Å²	171.8	84%	0.835	85%	0.849	S	S	*	*			trans	-142.7	134.3	155.6	0	0	0	0	0	110
24	K	35.3	Very low	36.2	Very low	214 Å²	214	176.3 Å²	176.3	93%	0.93	85%	0.848	S	S	*	*			trans	-95.5	125.4	172.1	-85.2	179.3	169.6	179.9	0	109
25	S	37.3	Very low	35.9	Very low	120 Å²	120	172 Å²	172	84%	0.839	84%	0.844	S	S	*	*			trans	-159.6	142.8	151.7	43.1	0	0	0	0	111.8
26	K	34.1	Very low	35.9	Very low	208 Å²	208	167.5 Å²	167.5	90%	0.904	84%	0.837	S	S	*	*			trans	-63.3	145.4	177.6	-58	163.9	172.9	178.5	0	111.3
27	A	34.1	Very low	35.7	Very low	93 Å²	93	168.5 Å²	168.5	77%	0.769	83%	0.833	S	S	*	*				167.8	148.7	109.9	0	0	0	0	0	113.2
28	R	33.6	Very low	35.8	Very low	203 Å²	203	167 Å²	167	77%	0.766	84%	0.836	S	S	*	*			trans	53.7	108.8	159.7	-71	-175.3	167.6	-153.9	-4.2	120.2	E30	R28-E30 WeakPolarHBondContact CD-OE1 3.38Å; R28-E30 IonicContact CZ-OE1 3.18Å; R28-E30 IonicContact NE-OE1 3.16Å; R28-E30 IonicContact NH1-OE1 2.89Å; R28-E30 PolarHBondContact NH1-OE1 3.31Å
29	R	30.5	Very low	35.7	Very low	248 Å²	248	167.9 Å²	167.9	94%	0.936	83%	0.832	S	S	*	*				-82.6	148.5	126.7	-82.1	177.2	165.4	175.4	-7.8	107.9
30	E	39.2	Very low	35.7	Very low	122 Å²	122	168.3 Å²	168.3	57%	0.57	83%	0.834	S	S	*	*			trans	-118.1	115.9	162.7	-71.7	167.6	174.2	0	0	104.2	R28	R28-E30 WeakPolarHBondContact CD-OE1 3.38Å; R28-E30 IonicContact CZ-OE1 3.18Å; R28-E30 IonicContact NE-OE1 3.16Å; R28-E30 IonicContact NH1-OE1 2.89Å; R28-E30 PolarHBondContact NH1-OE1 3.31Å
31	E	36.1	Very low	35.5	Very low	168 Å²	168	166.5 Å²	166.5	79%	0.785	83%	0.826	S	S	*	*				74.8	106	97.2	-70.8	166.9	-164.3	0	0	110.3
32	E	32.9	Very low	35.6	Very low	181 Å²	181	166.4 Å²	166.4	85%	0.846	82%	0.823	S	S	*	*				65.3	109.9	55.5	-71.6	-178.5	-176	0	0	114.8
33	E	34.2	Very low	35.8	Very low	204 Å²	204	161.3 Å²	161.3	95%	0.953	81%	0.812	S	S	*	*			trans	-134.4	97.2	144.8	-80.8	-167.3	155	0	0	107.9
34	E	34.8	Very low	35.6	Very low	179 Å²	179	165.9 Å²	165.9	84%	0.836	81%	0.813	S	S	*	*			trans	-99	134.6	157.1	-70.9	-170.1	152.7	0	0	107.8
35	D	33.6	Very low	35.5	Very low	159 Å²	159	165 Å²	165	85%	0.85	81%	0.809	S	S	*	*			trans	-108.3	85.8	173.7	-159.4	6	0	0	0	109.4
36	A	35.7	Very low	35.2	Very low	81 Å²	81	164.2 Å²	164.2	67%	0.669	80%	0.803	S	S	*	*			trans	-131.4	107.9	179.2	0	0	0	0	0	110
37	F	36.9	Very low	35.3	Very low	204 Å²	204	161.9 Å²	161.9	90%	0.895	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-91.5	117.3	178.2	-110.9	-94.2	0	0	0	111.4
38	E	36.5	Very low	35.2	Very low	185 Å²	185	165.2 Å²	165.2	86%	0.864	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-92.3	172.2	176	-93.7	-146.2	160.3	0	0	114.8
39	D	36.1	Very low	35.5	Very low	125 Å²	125	161 Å²	161	67%	0.668	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-50.6	146.5	-175.5	-87.2	-69.7	0	0	0	117.6
40	E	37.9	Very low	35.6	Very low	193 Å²	193	158.5 Å²	158.5	90%	0.902	80%	0.801	S	S	*	*			trans	-135.3	139	137.1	-98.7	-149.7	146.2	0	0	113
41	K	32.5	Very low	35.5	Very low	172 Å²	172	159.6 Å²	159.6	75%	0.748	82%	0.816	S	S	*	*			trans	-125.9	166	162.2	-69.4	174	178.9	125.1	0	106.1
42	P	41.3	Very low	35.7	Very low	118 Å²	118	157 Å²	157	77%	0.766	82%	0.817	S	S	*	*			cis	-142.6	-138.4	18.5	43	-20	0	0	0	111
43	P	40	Very low	35.8	Very low	110 Å²	110	156.5 Å²	156.5	71%	0.714	81%	0.814	S	S	*	*			cis	-123.9	170.4	-36.3	33	-14.6	0	0	0	115.5
44	K	34.3	Very low	36.2	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.812	S	S	*	*			trans	-14.9	129.7	165.2	-55	168.8	-179	173.1	0	119.4
45	K	34.5	Very low	36.3	Very low	195 Å²	195	150.4 Å²	150.4	85%	0.848	81%	0.807	S	S	*	*				171.1	125.9	108.3	-94.8	174	-177.9	178	0	115.3
46	S	31.2	Very low	36.6	Very low	103 Å²	103	154.4 Å²	154.4	72%	0.72	81%	0.81	S	S	*	*			trans	58.3	146.7	140.2	66.7	0	0	0	0	124.3
47	L	36	Very low	36.7	Very low	160 Å²	160	159.6 Å²	159.6	84%	0.838	82%	0.817	S	S	*	*			trans	100.4	87.3	155.7	-57.1	178.1	0	0	0	120.5
48	L	32.6	Very low	36.9	Very low	162 Å²	162	161.4 Å²	161.4	85%	0.848	82%	0.818	S	S	*	*			trans	7.2	123.2	133.8	-66.7	162.9	0	0	0	120.8
49	S	38	Very low	36.9	Very low	114 Å²	114	155.9 Å²	155.9	80%	0.797	81%	0.811	S	S	*	*				-174.8	116.2	127.4	38.4	0	0	0	0	108.8
50	K	33.5	Very low	37	Very low	196 Å²	196	156.1 Å²	156.1	85%	0.852	82%	0.821	S	S	*	*				72.4	141.4	70.2	-90.6	-169.5	176.1	177.1	0	115.8
51	V	36.3	Very low	37	Very low	146 Å²	146	151.2 Å²	151.2	89%	0.885	81%	0.808	S	S	*	*			trans	88	130.4	174.3	-173	0	0	0	0	113.6
52	S	40.4	Very low	37.3	Very low	114 Å²	114	151.8 Å²	151.8	80%	0.797	81%	0.813	S	S	*	*			cis	-138.8	163	12.4	47.5	0	0	0	0	113.9
53	Q	35.7	Very low	37.4	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.794	82%	0.815	S	S	*	*			trans	-104.5	148.9	-178.6	-68.1	-173.5	-42.9	0	0	114.1
54	G	42	Very low	37	Very low	87 Å²	87	150.6 Å²	150.6	90%	0.897	82%	0.819	S	S	*	*			trans	-103.5	140.9	151.2	0	0	0	0	0	110.8
55	K	37.5	Very low	37.1	Very low	167 Å²	167	145.3 Å²	145.3	73%	0.726	82%	0.821	S	S	*	*			trans	-130.9	140	-152.5	-156.8	178.5	-162.9	168.9	0	114
56	R	38.8	Very low	37.2	Very low	243 Å²	243	141.8 Å²	141.8	92%	0.917	82%	0.821	S	S	*	*			trans	179.5	107.6	145.9	-97.2	153.2	-173.3	-137.1	-1.3	109.4
57	K	39.6	Very low	37.4	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.826	82%	0.82	S	S	*	*				58.4	129.2	80.4	-91.4	-168.9	170.1	-175.3	0	113.5
58	R	39.9	Very low	37.6	Very low	242 Å²	242	141.3 Å²	141.3	91%	0.913	82%	0.823	S	S	*	*			cis	-133	178.8	-0.5	-49.2	-175.4	-166.8	-154.2	8.2	108.9
59	G	36.4	Very low	37.9	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	82%	0.819	S	S	*	*			cis	135.1	145.4	-10.7	0	0	0	0	0	115.4
60	C	38.8	Very low	38	Very low	131 Å²	131	137.9 Å²	137.9	89%	0.885	82%	0.821	S	S	*	*			trans	97.5	138.9	171.9	-73.1	0	0	0	0	118.4
61	S	38.1	Very low	38.1	Very low	90 Å²	90	132.5 Å²	132.5	63%	0.629	81%	0.813	S	S	*	*			cis	-176.4	138.4	-29.1	39.1	0	0	0	0	112.7
62	H	37.5	Very low	38.2	Very low	183 Å²	183	135.2 Å²	135.2	85%	0.847	81%	0.813	S	S	*	*			trans	67.8	161.8	160.7	-66.8	-57.9	0	0	0	119.5
63	P	45.2	Very low	38	Very low	125 Å²	125	140 Å²	140	81%	0.812	82%	0.82	S	S	*	*			cis	-119	178.4	-0.3	39.9	-26.2	0	0	0	114.7
64	G	31.3	Very low	38.2	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	83%	0.826	S	S	*	*			trans	-116.3	157.5	165.9	0	0	0	0	0	111.2
65	G	36.3	Very low	37.8	Very low	87 Å²	87	144.3 Å²	144.3	90%	0.897	82%	0.821	S	S	*	*			trans	-178.3	118.5	177.1	0	0	0	0	0	110.6
66	S	36.2	Very low	37.7	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	83%	0.827	S	S	*	*			trans	-95.8	148.1	-174.7	52.4	0	0	0	0	113
67	A	36.2	Very low	37.4	Very low	84 Å²	84	137.6 Å²	137.6	69%	0.694	82%	0.818	S	S	*	*				175.9	145.3	120.5	0	0	0	0	0	113.9
68	D	38.6	Very low	37.2	Very low	169 Å²	169	134.8 Å²	134.8	90%	0.904	82%	0.816	S	S	*	*			trans	62.6	138.4	149	-59.3	-22	0	0	0	124.5
69	G	38.7	Very low	36.8	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	80%	0.803	S	S	*	*			trans	127.3	92	157.9	0	0	0	0	0	116.1
70	P	40.8	Very low	36.8	Very low	131 Å²	131	131.2 Å²	131.2	85%	0.851	81%	0.808	S	S	*	*			trans	-99.5	156.1	-174.1	37.2	-34.2	0	0	0	115.1
71	A	35.3	Very low	36.4	Very low	82 Å²	82	134.1 Å²	134.1	68%	0.678	81%	0.805	S	S	*	*				143.8	139.9	119	0	0	0	0	0	116.7
72	K	38.2	Very low	36.3	Very low	204 Å²	204	134.6 Å²	134.6	89%	0.887	81%	0.809	S	S	*	*			trans	70.9	87.3	154.3	-64.1	160.8	-175.1	175	0	119.3
73	K	36.6	Very low	36.2	Very low	215 Å²	215	134.4 Å²	134.4	94%	0.935	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-99.4	131.6	140.3	-87.3	-176.5	174.8	177.8	0	109.5
74	K	39.8	Very low	35.5	Very low	213 Å²	213	135.8 Å²	135.8	93%	0.926	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-92.2	141.4	167.6	-82.3	-172.9	174.7	-177.8	0	109.8
75	V	33.1	Very low	35.7	Very low	133 Å²	133	140.6 Å²	140.6	81%	0.806	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-90.9	140.8	172.6	172.4	0	0	0	0	109.1	K77	V75-K77 HydrophobicContact CG1-CB 4.19Å
76	A	37.1	Very low	35.4	Very low	101 Å²	101	145 Å²	145	84%	0.835	81%	0.809	S	S	*	*			trans	-122.1	105.3	160.6	0	0	0	0	0	108.5
77	K	32.3	Very low	35	Very low	169 Å²	169	145.4 Å²	145.4	74%	0.735	81%	0.806	S	S	*	*			trans	-114.5	108.8	173.3	174.3	179.5	179.4	175.1	0	106.6	V75 T79	V75-K77 HydrophobicContact CG1-CB 4.19Å; K77-T79 HydrophobicContact CG-CG2 4.43Å
78	V	35.1	Very low	34.9	Very low	131 Å²	131	148.5 Å²	148.5	79%	0.794	81%	0.81	S	S	*	*			trans	-96.3	101.9	174.8	179.6	0	0	0	0	108.5	V80	V78-V80 HydrophobicContact CG1-CG2 4.2Å
79	T	30.7	Very low	34.5	Very low	104 Å²	104	147.9 Å²	147.9	64%	0.638	80%	0.799	S	S	*	*			trans	-94.3	124.7	161	45.4	0	0	0	0	108.4	K77	K77-T79 HydrophobicContact CG-CG2 4.43Å
80	V	37	Very low	34.3	Very low	132 Å²	132	150.9 Å²	150.9	80%	0.8	80%	0.797	S	S	*	*			trans	-102.6	125.1	161.3	-178.9	0	0	0	0	107.8	V78	V78-V80 HydrophobicContact CG1-CG2 4.2Å
81	K	30	Very low	33.8	Very low	191 Å²	191	151.5 Å²	151.5	83%	0.83	79%	0.789	S	S	*	*			trans	-115.4	172	168.1	-98.4	-169.9	173.8	-171.5	0	107.6
82	S	36.8	Very low	33.6	Very low	101 Å²	101	152 Å²	152	71%	0.706	79%	0.794	S	S	*	*			trans	83.5	139.3	-178.2	-57.3	0	0	0	0	113.3
83	E	35.1	Very low	33.5	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	80%	0.795	S	S	*	*			cis	-148.9	160	11.9	-139.7	141.1	-123.9	0	0	113.3
84	N	30.2	Very low	33.2	Very low	154 Å²	154	145 Å²	145	82%	0.824	78%	0.783	S	S	*	*			trans	-72.9	130.2	176.5	-74.9	-72.2	0	0	0	110.9
85	L	35.2	Very low	33	Very low	180 Å²	180	142.2 Å²	142.2	94%	0.942	78%	0.778	S	S	*	*			trans	-128.9	126.9	149.1	-91.2	171.2	0	0	0	110.9
86	K	30.4	Very low	33.1	Very low	179 Å²	179	139 Å²	139	78%	0.778	77%	0.772	S	S	*	*			trans	-97.1	145	179.3	-89	-180	175.1	179.4	0	109.5
87	V	28.4	Very low	33.2	Very low	128 Å²	128	142 Å²	142	78%	0.776	77%	0.774	S	S	*	*			trans	64.3	118.6	150.4	177.2	0	0	0	0	116.2
88	I	33.4	Very low	33.3	Very low	149 Å²	149	140.7 Å²	140.7	76%	0.764	78%	0.775	S	S	*	*				-154.3	148.3	114.6	-94.3	147.5	0	0	0	107.9	D90	I88-D90 WeakPolarHBondContact CG2-OD2 3.37Å
89	K	29.3	Very low	33.4	Very low	156 Å²	156	142.3 Å²	142.3	68%	0.678	78%	0.778	S	S	*	*			trans	-129.4	107	-174.8	175.3	-151.2	174.7	-155.1	0	107.3	E91	K89-E91 WeakPolarHBondContact CE-OE1 3.43Å; K89-E91 IonicContact NZ-OE1 4Å; K89-E91 PolarHBondContact NZ-OE1 3.33Å
90	D	36.4	Very low	33.6	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	79%	0.787	S	S	*	*			trans	-137.7	115.5	168	-62.7	-57.6	0	0	0	103.8	I88	I88-D90 WeakPolarHBondContact CG2-OD2 3.37Å
91	E	29.5	Very low	33.6	Very low	145 Å²	145	148 Å²	148	68%	0.678	78%	0.784	S	S	*	*			cis	57.7	124.3	42.1	-77	-162	-135	0	0	115	K89	K89-E91 WeakPolarHBondContact CE-OE1 3.43Å; K89-E91 IonicContact NZ-OE1 4Å; K89-E91 PolarHBondContact NZ-OE1 3.33Å
92	A	30	Very low	33.7	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	78%	0.778	S	S	*	*			trans	62.5	115.8	-180	0	0	0	0	0	117.4
93	L	37.1	Very low	33.7	Very low	174 Å²	174	146.9 Å²	146.9	91%	0.911	78%	0.777	S	S	*	*				-152.4	113.3	94.9	-92.3	-179.2	0	0	0	110.6
94	S	30.4	Very low	33.5	Very low	97 Å²	97	144 Å²	144	68%	0.678	78%	0.777	S	S	*	*			trans	-83	145.8	154.4	167	0	0	0	0	108
95	D	35.3	Very low	33.9	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	78%	0.779	S	S	*	*			trans	160	118.8	144.7	-79.8	-7.3	0	0	0	106.5
96	G	36.2	Very low	33.7	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	78%	0.775	S	S	*	*				104.8	143.7	92.5	0	0	0	0	0	108
97	D	38.1	Very low	34	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	78%	0.78	S	S	*	*			cis	-151.9	174.5	0.5	-97.4	-45.2	0	0	0	110.2
98	D	35.5	Very low	34.1	Very low	142 Å²	142	148.9 Å²	148.9	76%	0.759	79%	0.787	S	S	*	*			trans	-44.5	137.7	169.3	-89.8	-56.9	0	0	0	114.8
99	L	37.6	Very low	34.1	Very low	164 Å²	164	146 Å²	146	86%	0.859	79%	0.786	S	S	*	*				-152.1	105.7	124.9	-157.9	63.4	0	0	0	112.3
100	R	33.8	Very low	34.1	Very low	220 Å²	220	147.7 Å²	147.7	83%	0.83	80%	0.796	S	S	*	*			trans	-87.5	130.9	153.7	-67.1	177.6	176.4	179.7	1.5	107.5
101	D	36.7	Very low	34	Very low	137 Å²	137	149.6 Å²	149.6	73%	0.733	80%	0.8	S	S	*	*			trans	-162.9	167.2	138.2	-103.6	-9.5	0	0	0	114.2
102	F	33.3	Very low	34.2	Very low	160 Å²	160	150.4 Å²	150.4	70%	0.702	81%	0.808	S	S	*	*			trans	-72.6	172.2	-143.1	-78.7	-94.8	0	0	0	119.6
103	P	35.4	Very low	34.3	Very low	107 Å²	107	155.9 Å²	155.9	70%	0.695	82%	0.815	S	S	*	*			trans	-103.6	155.9	-166.5	39.3	-33	0	0	0	114.2
104	S	32.2	Very low	33.9	Very low	117 Å²	117	159.2 Å²	159.2	82%	0.818	82%	0.815	S	S	*	*				170.6	123.8	125.5	38.4	0	0	0	0	111.1
105	D	37	Very low	33.9	Very low	164 Å²	164	157.6 Å²	157.6	88%	0.877	81%	0.814	S	S	*	*				-164.2	142.6	124.7	-126.9	-23.2	0	0	0	113.4
106	L	32.4	Very low	33.5	Very low	162 Å²	162	155.1 Å²	155.1	85%	0.848	82%	0.815	S	S	*	*			trans	-94.5	112.1	-177.3	-82.4	155.8	0	0	0	111
107	K	35.6	Very low	33.2	Very low	203 Å²	203	157.3 Å²	157.3	88%	0.883	82%	0.815	S	S	*	*			trans	-151	112.9	155.5	-105.9	139.6	-169.9	172.5	0	114.3	A109	K107-A109 PolarHBondContact O-N 3.1Å
108	K	31.2	Very low	33	Very low	215 Å²	215	155.4 Å²	155.4	94%	0.935	80%	0.802	S	S	*	*			trans	-33.2	117.1	173.5	-61.2	165.6	178.8	175.5	0	115.5
109	A	33.6	Very low	32.7	Very low	89 Å²	89	153.9 Å²	153.9	74%	0.736	79%	0.794	S	S	*	*			trans	-149	116.5	146.7	0	0	0	0	0	109.4	K107 H111	K107-A109 PolarHBondContact O-N 3.1Å; A109-H111 PolarHBondContact O-N 2.67Å; A109-H111 VanDerWaalsContact O-N 3.13Å
110	H	29.6	Very low	32.5	Very low	192 Å²	192	153 Å²	153	89%	0.889	79%	0.785	S	S	*	*			trans	-77.1	94.8	174.1	-107.5	-88.3	0	0	0	109.1
111	H	34.1	Very low	32.3	Very low	177 Å²	177	148.2 Å²	148.2	82%	0.819	78%	0.776	S	S	*	*			trans	-103.3	107.2	162.3	-113.3	-82.1	0	0	0	109.2	A109 K113	A109-H111 PolarHBondContact O-N 2.67Å; A109-H111 VanDerWaalsContact O-N 3.13Å; H111-K113 PolarHBondContact O-N 3.4Å
112	L	32.7	Very low	32	Very low	162 Å²	162	146.9 Å²	146.9	85%	0.848	78%	0.778	S	S	*	*			trans	-69.3	94	170.3	-78.4	161.9	0	0	0	108.7	R114	L112-R114 PolarHBondContact O-N 3.22Å
113	K	32.8	Very low	32	Very low	208 Å²	208	145.5 Å²	145.5	90%	0.904	78%	0.778	S	S	*	*			trans	-77	90.3	172.9	-140.8	178.6	-172.9	-175.7	0	108.2	H111 G115	H111-K113 PolarHBondContact O-N 3.4Å; K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 3.42Å
114	R	29.3	Very low	31.9	Very low	244 Å²	244	148.4 Å²	148.4	92%	0.921	78%	0.782	S	S	*	*			trans	-70.2	89.8	175.4	-164.9	178.6	-161.6	175	3.7	108.6	L112 A116	L112-R114 PolarHBondContact O-N 3.22Å; R114-A116 PolarHBondContact O-N 3.12Å
115	G	29	Very low	32.1	Very low	63 Å²	63	151.6 Å²	151.6	65%	0.649	78%	0.784	S	S	*	*			trans	-66.8	126.2	169.7	0	0	0	0	0	109.4	K113 T117	K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 3.42Å; G115-T117 PolarHBondContact O-N 2.89Å; G115-T117 VanDerWaalsContact O-N 3.12Å
116	A	28.5	Very low	32.2	Very low	102 Å²	102	151.1 Å²	151.1	84%	0.843	78%	0.777	S	S	*	*			trans	-82.1	83.7	178.6	0	0	0	0	0	110.4	R114	R114-A116 PolarHBondContact O-N 3.12Å
117	T	28.4	Very low	32.3	Very low	113 Å²	113	149.6 Å²	149.6	69%	0.693	77%	0.765	S	S	*	*			trans	-84.3	121.2	150.8	46.8	0	0	0	0	107.5	G115 N119	G115-T117 PolarHBondContact O-N 2.89Å; G115-T117 VanDerWaalsContact O-N 3.12Å; T117-N119 VanDerWaalsContact C-N 3.31Å; T117-N119 PolarHBondContact O-N 3.27Å; T117-N119 PolarHBondContact OG1-OD1 3.38Å
118	M	33.5	Very low	32.4	Very low	122 Å²	122	147.1 Å²	147.1	60%	0.601	76%	0.757	S	S	*	*			trans	-75.8	87.5	173.7	-61.3	-172.1	85.7	0	0	108.5	E120 F762 L763 P764	M118-E120 PolarHBondContact O-N 3.36Å; M118-F762 VanDerWaalsContact CE-O 3.28Å; M118-F762 WeakPolarHBondContact CE-O 3.45Å; M118-L763 HydrophobicContact CE-CD2 3.83Å; M118-L763 HydrophobicContact SD-CD2 3.95Å; M118-P764 HydrophobicContact SD-CG 4.33Å
119	N	29.8	Very low	32.6	Very low	110 Å²	110	141.8 Å²	141.8	59%	0.588	75%	0.747	S	S	*	*			trans	-65.4	121.7	166.3	-76.3	44	0	0	0	108.3	T117 D121	T117-N119 VanDerWaalsContact C-N 3.31Å; T117-N119 PolarHBondContact O-N 3.27Å; T117-N119 PolarHBondContact OG1-OD1 3.38Å; N119-D121 HydrophobicContact CB-CB 4.48Å; N119-D121 PolarHBondContact ND2-OD2 3.33Å; N119-D121 PolarHBondContact O-N 3.13Å
120	E	33.1	Very low	32.7	Very low	145 Å²	145	145.8 Å²	145.8	68%	0.678	75%	0.75	S	S	*	*			trans	-74.1	17.7	176.7	-114.6	-160.2	149	0	0	113.1	M118 S122 K693	M118-E120 PolarHBondContact O-N 3.36Å; E120-S122 VanDerWaalsContact C-N 3.33Å; E120-S122 PolarHBondContact O-N 3.42Å; E120-K693 WeakPolarHBondContact OE1-CE 3.3Å; E120-K693 IonicContact OE1-NZ 2.78Å; E120-K693 PolarHBondContact OE1-NZ 2.9Å; E120-K693 IonicContact OE2-NZ 3.87Å
121	D	29.5	Very low	33	Very low	120 Å²	120	142.8 Å²	142.8	64%	0.642	74%	0.741	S	S	*	*			trans	-81.9	67.6	-174.3	-59.8	-38.5	0	0	0	112.4	N119	N119-D121 HydrophobicContact CB-CB 4.48Å; N119-D121 PolarHBondContact ND2-OD2 3.33Å; N119-D121 PolarHBondContact O-N 3.13Å
122	S	31.7	Very low	33.3	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	73%	0.731	S	S	*	*	S	Bend	trans	-143.3	45.8	173.6	51.9	0	0	0	0	114.1	E120	E120-S122 VanDerWaalsContact C-N 3.33Å; E120-S122 PolarHBondContact O-N 3.42Å
123	N	33.6	Very low	33.7	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	74%	0.737	S	S	*	*	S	Bend	trans	-152.2	10.9	163.6	-148.1	44.1	0	0	0	117
124	E	33.2	Very low	34.3	Very low	169 Å²	169	140.5 Å²	140.5	79%	0.79	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-82.6	-7.6	-174.3	-63	-150	140.6	0	0	115.6	E126	E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 3.41Å
125	E	36.2	Very low	34.6	Very low	183 Å²	183	137 Å²	137	86%	0.855	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-72.9	-5.7	-175.4	-66.3	-151.3	151.4	0	0	115.4
126	E	37.9	Very low	35.3	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-101	-8.8	-178.7	-68	-158.8	158.4	0	0	115.9	E124	E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 3.41Å
127	E	35.8	Very low	35.8	Very low	130 Å²	130	143.8 Å²	143.8	61%	0.607	72%	0.722	S	S	*	*	S	Bend	trans	-99.7	-6.8	-174.1	-62.4	-144.1	154	0	0	116.4	S129	E127-S129 PolarHBondContact O-N 3.45Å
128	E	35.8	Very low	36.1	Very low	150 Å²	150	147 Å²	147	70%	0.701	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	10	-179.6	-113.3	-166.4	172.5	0	0	115.1	K199	E128-K199 IonicContact OE1-NZ 2.75Å; E128-K199 PolarHBondContact OE1-NZ 2.89Å
129	S	35.3	Very low	36.4	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-11.1	-163.7	-170.1	0	0	0	0	117.8	E127	E127-S129 PolarHBondContact O-N 3.45Å
130	E	37.2	Very low	36.5	Very low	173 Å²	173	149.4 Å²	149.4	81%	0.808	75%	0.753	S	S	*	*	S	Bend	trans	-99.7	1.5	-167.4	-70.4	-158.3	144.7	0	0	116.1
131	N	35.5	Very low	36.4	Very low	129 Å²	129	150.7 Å²	150.7	69%	0.69	76%	0.759	S	S	*	*	S	Bend	trans	-132.1	24.5	-157.5	-119.9	105.3	0	0	0	117.2
132	D	41	Very low	36.8	Very low	116 Å²	116	150.6 Å²	150.6	62%	0.62	77%	0.765	S	S	*	*			trans	-145.6	64.8	174.1	-157.1	28.8	0	0	0	114.2	E134	D132-E134 VanDerWaalsContact C-N 3.32Å; D132-E134 PolarHBondContact O-N 2.87Å
133	W	40.4	Very low	36.9	Very low	256 Å²	256	152 Å²	152	97%	0.97	77%	0.768	S	S	*	*			trans	-86.4	74.8	161.6	-74.3	99.1	0	0	0	109.3
134	E	44.3	Very low	37	Very low	127 Å²	127	153.7 Å²	153.7	59%	0.593	78%	0.777	S	S	*	*			trans	-83.1	139.9	171.2	-162.1	162.2	-130.1	0	0	111.2	D132 V136	D132-E134 VanDerWaalsContact C-N 3.32Å; D132-E134 PolarHBondContact O-N 2.87Å; E134-V136 PolarHBondContact O-N 2.81Å
135	E	37.2	Very low	37	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	77%	0.768	S	S	*	*			trans	-60.8	121	-171.7	-165.7	163.5	-163.9	0	0	110.7	E137	E135-E137 PolarHBondContact O-N 3.34Å
136	V	43.3	Very low	36.9	Very low	132 Å²	132	147.9 Å²	147.9	80%	0.8	77%	0.771	S	S	*	*			trans	-67.4	106	174.3	176	0	0	0	0	107.6	E134 E138	E134-V136 PolarHBondContact O-N 2.81Å; V136-E138 PolarHBondContact O-N 2.7Å
137	E	39.8	Very low	37	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	78%	0.777	S	S	*	*			trans	-59.5	107.3	170.8	-164.6	169.7	-146.1	0	0	107.7	E135 L139	E135-E137 PolarHBondContact O-N 3.34Å; E137-L139 PolarHBondContact O-N 2.69Å
138	E	33.5	Very low	36.9	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	79%	0.785	S	S	*	*			trans	-60.2	100.3	-178.9	-71.4	179.5	150.5	0	0	108.9	V136 S140	V136-E138 PolarHBondContact O-N 2.7Å; E138-S140 PolarHBondContact O-N 3.35Å; E138-S140 VanDerWaalsContact O-N 3.11Å
139	L	39.3	Very low	36.8	Very low	165 Å²	165	150.3 Å²	150.3	86%	0.864	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.9	175.5	-78.4	174.8	0	0	0	108.6	E137 E141	E137-L139 PolarHBondContact O-N 2.69Å; L139-E141 PolarHBondContact O-N 2.59Å
140	S	31.6	Very low	36.7	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-52.7	122.6	-169.3	-44.4	0	0	0	0	111.5	E138	E138-S140 PolarHBondContact O-N 3.35Å; E138-S140 VanDerWaalsContact O-N 3.11Å
141	E	32.1	Very low	36.6	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.3	170.7	-64.7	-176.2	141.1	0	0	109.6	L139 V143	L139-E141 PolarHBondContact O-N 2.59Å; E141-V143 PolarHBondContact O-N 3.39Å
142	P	37.4	Very low	36.7	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	79%	0.791	S	S	*	*			trans	-69.1	105.2	172.4	28.4	-31.9	0	0	0	108.4	L144	P142-L144 PolarHBondContact O-N 3.03Å
143	V	33.6	Very low	36.4	Very low	139 Å²	139	151.7 Å²	151.7	84%	0.842	81%	0.805	S	S	*	*			trans	-60.2	96.8	172.6	177.8	0	0	0	0	108.9	E141 G145	E141-V143 PolarHBondContact O-N 3.39Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.26Å
144	L	37.4	Very low	36.4	Very low	167 Å²	167	145.6 Å²	145.6	87%	0.874	80%	0.801	S	S	*	*			trans	-71.3	93.5	163.8	-77.2	171.8	0	0	0	107.6	P142 D146	P142-L144 PolarHBondContact O-N 3.03Å; L144-D146 PolarHBondContact O-N 2.74Å
145	G	32.5	Very low	36.2	Very low	59 Å²	59	150.4 Å²	150.4	61%	0.608	81%	0.814	S	S	*	*			trans	-69.3	120.5	173.8	0	0	0	0	0	111	V143 V147	V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.26Å; G145-V147 PolarHBondContact O-N 3.14Å; G145-V147 VanDerWaalsContact O-N 3.17Å
146	D	34.8	Very low	36.2	Very low	170 Å²	170	146.7 Å²	146.7	91%	0.909	81%	0.807	S	S	*	*			trans	-57.5	113.7	167.6	-99.1	-36.7	0	0	0	110.2	L144	L144-D146 PolarHBondContact O-N 2.74Å
147	V	38.1	Very low	36.3	Very low	142 Å²	142	148.7 Å²	148.7	86%	0.861	81%	0.812	S	S	*	*			trans	-99.2	97.6	166.5	177.7	0	0	0	0	108.1	G145	G145-V147 PolarHBondContact O-N 3.14Å; G145-V147 VanDerWaalsContact O-N 3.17Å
148	R	34.2	Very low	36.5	Very low	206 Å²	206	148 Å²	148	78%	0.777	81%	0.814	S	S	*	*			trans	-85.5	122.3	175.7	-175.6	175.4	173.8	166	4.7	110.9
149	E	34	Very low	37.4	Very low	139 Å²	139	145 Å²	145	65%	0.65	81%	0.809	S	S	*	*			trans	45.5	108.9	155	-61.6	173.7	133.4	0	0	118.5
150	S	33.5	Very low	38	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	81%	0.809	S	S	*	*				176	141.2	100.6	-78.2	0	0	0	0	115.1
151	T	34.7	Very low	39.4	Very low	136 Å²	136	146.8 Å²	146.8	83%	0.834	81%	0.807	S	S	*	*			trans	51.1	104.3	147.7	58.6	0	0	0	0	120.3
152	A	37.8	Very low	40.6	Very low	100 Å²	100	144 Å²	144	83%	0.826	80%	0.804	S	S	*	*				179.3	136.7	100.8	0	0	0	0	0	112.4
153	F	35.3	Very low	41.7	Very low	209 Å²	209	144.5 Å²	144.5	92%	0.917	80%	0.804	S	S	*	*			trans	-72.6	145.8	-173.7	-83.5	-113.5	0	0	0	114.6
154	S	39.7	Very low	43.3	Very low	128 Å²	128	146.1 Å²	146.1	90%	0.895	80%	0.803	S	S	*	*			trans	-152.4	62.6	155.4	-77.9	0	0	0	0	113.5
155	R	40.9	Very low	44.7	Very low	228 Å²	228	144.9 Å²	144.9	86%	0.86	80%	0.796	S	S	*	*			trans	43.2	81.9	141.2	-156.9	170.2	-174.6	164.1	-0.1	120.5
156	S	37.6	Very low	46.5	Very low	92 Å²	92	151 Å²	151	64%	0.643	81%	0.809	S	S	*	*				40.3	115.3	127.3	65.5	0	0	0	0	121.9
157	L	44	Very low	48.2	Very low	174 Å²	174	150 Å²	150	91%	0.911	80%	0.802	S	S	*	*			trans	-136.4	121.9	134.9	-73.8	178.3	0	0	0	108.4
158	L	44.2	Very low	49.6	Very low	163 Å²	163	147.2 Å²	147.2	85%	0.853	78%	0.779	S	S	*	*			trans	-97.7	124.9	-178.7	-70.7	171.4	0	0	0	111.3
159	P	52.1	Low	51.7	Low	116 Å²	116	140.7 Å²	140.7	75%	0.753	76%	0.762	S	S	*	*			trans	-93.5	109.2	159.8	3.7	16.5	0	0	0	109.4	K161	P159-K161 PolarHBondContact O-N 3.28Å; P159-K161 VanDerWaalsContact O-N 3.1Å
160	V	51.8	Low	53.8	Low	141 Å²	141	138.6 Å²	138.6	86%	0.855	76%	0.761	S	S	*	*			trans	-69.9	104.1	172	178.9	0	0	0	0	109.1
161	K	61.9	Low	56	Low	179 Å²	179	141.1 Å²	141.1	78%	0.778	76%	0.761	S	S	*	*			trans	-135.5	135.7	162.2	-72.6	-169	176	-175.1	0	109.2	P159	P159-K161 PolarHBondContact O-N 3.28Å; P159-K161 VanDerWaalsContact O-N 3.1Å
162	P	57.7	Low	58.1	Low	113 Å²	113	139.7 Å²	139.7	73%	0.734	75%	0.745	S	S	*	*			trans	-64.4	139.3	178.6	27.9	-34.1	0	0	0	110.3	E164	P162-E164 PolarHBondContact O-N 2.97Å
163	V	59.8	Low	60	Low	128 Å²	128	136.3 Å²	136.3	78%	0.776	72%	0.717	S	S	*	*			trans	-79.7	102.9	171.5	179	0	0	0	0	107.7	I165	V163-I165 HydrophobicContact CG1-CG1 4.08Å; V163-I165 PolarHBondContact O-N 3.06Å
164	E	68.3	Low	62.3	Low	174 Å²	174	132.1 Å²	132.1	81%	0.813	70%	0.698	S	S	*	*			trans	-71.3	106.9	169.7	-70.5	177.1	171.4	0	0	108.9	P162 E166	P162-E164 PolarHBondContact O-N 2.97Å; E164-E166 PolarHBondContact O-N 2.96Å
165	I	66.5	Low	64.3	Low	141 Å²	141	130.3 Å²	130.3	72%	0.723	68%	0.682	S	S	*	*			trans	-89.2	94.5	172.2	-56.4	175.9	0	0	0	107.1	V163 I167	V163-I165 HydrophobicContact CG1-CG1 4.08Å; V163-I165 PolarHBondContact O-N 3.06Å; I165-I167 HydrophobicContact CG2-CG1 4.38Å; I165-I167 PolarHBondContact O-N 3.26Å; I165-I167 VanDerWaalsContact O-N 3.08Å
166	E	69.5	Low	66.3	Low	188 Å²	188	125.6 Å²	125.6	88%	0.879	66%	0.664	S	S	*	*			trans	-66.4	105.7	169	-77.6	-164.4	135.5	0	0	109.8	E164 E168	E164-E166 PolarHBondContact O-N 2.96Å; E166-E168 PolarHBondContact O-N 3.34Å
167	I	70	Confident	68.5	Low	149 Å²	149	127.1 Å²	127.1	76%	0.764	66%	0.661	S	S	*	*			trans	-78.3	105.5	171.5	-58.8	175.6	0	0	0	107.6	I165 T169	I165-I167 HydrophobicContact CG2-CG1 4.38Å; I165-I167 PolarHBondContact O-N 3.26Å; I165-I167 VanDerWaalsContact O-N 3.08Å; I167-T169 PolarHBondContact O-N 3.36Å
168	E	68.5	Low	70.4	Confident	83 Å²	83	127 Å²	127	39%	0.388	65%	0.648	S	S	.	*			trans	-55.3	121.3	-178.7	-170.2	170.2	-176.3	0	0	110.8	E166 Q172 A173 R176	E166-E168 PolarHBondContact O-N 3.34Å; E168-Q172 HydrophobicContact CG-CB 3.76Å; E168-A173 HydrophobicContact CG-CB 4.3Å; E168-A173 WeakPolarHBondContact OE1-CA 3.42Å; E168-A173 PolarHBondContact OE1-N 3.34Å; E168-R176 VanDerWaalsContact OE1-CD 3.32Å; E168-R176 WeakPolarHBondContact OE1-CD 3.24Å; E168-R176 IonicContact OE2-NH1 2.66Å; E168-R176 PolarHBondContact OE2-NH1 3.37Å; E168-R176 VanDerWaalsContact OE2-NH1 3.09Å
169	T	77.6	Confident	72.2	Confident	68 Å²	68	121.4 Å²	121.4	42%	0.417	62%	0.623	S	S	.	*			trans	-67.3	150.5	-179.1	60.8	0	0	0	0	110.9	I167 E171 Q172 A173	I167-T169 PolarHBondContact O-N 3.36Å; T169-E171 PolarHBondContact O-N 3.22Å; T169-Q172 WeakPolarHBondContact O-CA 3.27Å; T169-Q172 WeakPolarHBondContact O-CB 3.36Å; T169-Q172 PolarHBondContact O-N 3.38Å; T169-Q172 VanDerWaalsContact OG1-CG 3.31Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.32Å; T169-Q172 PolarHBondContact OG1-OE1 3.47Å; T169-A173 PolarHBondContact O-N 2.8Å
170	P	79.4	Confident	73.9	Confident	95 Å²	95	120.1 Å²	120.1	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-63.6	-14.1	-177.3	25.1	-35.6	0	0	0	114.3	K174	P170-K174 WeakPolarHBondContact O-CD 3.22Å; P170-K174 VanDerWaalsContact O-CG 3.26Å; P170-K174 WeakPolarHBondContact O-CG 3.38Å; P170-K174 PolarHBondContact O-N 2.84Å
171	E	78.7	Confident	75.6	Confident	158 Å²	158	119.5 Å²	119.5	74%	0.738	59%	0.593	S	S	*	*	H	α-helix	trans	-83.5	-36.8	170.3	-61.4	-162.8	152.7	0	0	112.6	T169 T175	T169-E171 PolarHBondContact O-N 3.22Å; E171-T175 WeakPolarHBondContact O-CB 3.46Å; E171-T175 PolarHBondContact O-N 3.09Å; E171-T175 VanDerWaalsContact O-N 3.08Å; E171-T175 PolarHBondContact O-OG1 3.08Å
172	Q	78.4	Confident	76.7	Confident	106 Å²	106	116.2 Å²	116.2	50%	0.495	58%	0.583	S	S	.	*	H	α-helix	trans	-65.1	-49	172.4	-74.4	164.1	-42.1	0	0	110.2	E168 T169 K174 T175 R176	E168-Q172 HydrophobicContact CG-CB 3.76Å; T169-Q172 WeakPolarHBondContact O-CA 3.27Å; T169-Q172 WeakPolarHBondContact O-CB 3.36Å; T169-Q172 PolarHBondContact O-N 3.38Å; T169-Q172 VanDerWaalsContact OG1-CG 3.31Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.32Å; T169-Q172 PolarHBondContact OG1-OE1 3.47Å; Q172-K174 PolarHBondContact O-N 3.42Å; Q172-T175 CarbonylContact O-C 3.54Å; Q172-T175 WeakPolarHBondContact O-CA 3.46Å; Q172-T175 WeakPolarHBondContact O-CB 3.36Å; Q172-T175 PolarHBondContact O-N 2.93Å; Q172-R176 WeakPolarHBondContact O-CB 3.48Å; Q172-R176 PolarHBondContact O-N 3.47Å
173	A	78.5	Confident	78	Confident	29 Å²	29	117.6 Å²	117.6	24%	0.24	58%	0.577	C	S	.	*	H	α-helix	trans	-54.4	-49.4	177	0	0	0	0	0	112.1	E168 T169 T175 R176 E177	E168-A173 HydrophobicContact CG-CB 4.3Å; E168-A173 WeakPolarHBondContact OE1-CA 3.42Å; E168-A173 PolarHBondContact OE1-N 3.34Å; T169-A173 PolarHBondContact O-N 2.8Å; A173-T175 VanDerWaalsContact C-N 3.27Å; A173-T175 PolarHBondContact O-N 3.49Å; A173-R176 WeakPolarHBondContact O-CB 3.37Å; A173-R176 PolarHBondContact O-N 3.37Å; A173-E177 WeakPolarHBondContact O-CB 3.35Å; A173-E177 WeakPolarHBondContact O-CG 3.48Å; A173-E177 PolarHBondContact O-N 2.94Å
174	K	82.8	Confident	79.4	Confident	121 Å²	121	116.5 Å²	116.5	53%	0.526	57%	0.566	S	S	.	*	H	α-helix	trans	-62.4	-30.9	175.1	-74.1	172.1	-173.9	170	0	113.7	P170 Q172 R178	P170-K174 WeakPolarHBondContact O-CD 3.22Å; P170-K174 VanDerWaalsContact O-CG 3.26Å; P170-K174 WeakPolarHBondContact O-CG 3.38Å; P170-K174 PolarHBondContact O-N 2.84Å; Q172-K174 PolarHBondContact O-N 3.42Å; K174-R178 WeakPolarHBondContact O-CB 3.17Å; K174-R178 VanDerWaalsContact O-CD 3.31Å; K174-R178 WeakPolarHBondContact O-CD 3.21Å; K174-R178 WeakPolarHBondContact O-CG 3.4Å; K174-R178 PolarHBondContact O-N 3.33Å
175	T	83	Confident	80.2	Confident	90 Å²	90	112.7 Å²	112.7	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-76.1	-39.1	177.6	-58.6	0	0	0	0	110.8	E171 Q172 A173 R178 S179	E171-T175 WeakPolarHBondContact O-CB 3.46Å; E171-T175 PolarHBondContact O-N 3.09Å; E171-T175 VanDerWaalsContact O-N 3.08Å; E171-T175 PolarHBondContact O-OG1 3.08Å; Q172-T175 CarbonylContact O-C 3.54Å; Q172-T175 WeakPolarHBondContact O-CA 3.46Å; Q172-T175 WeakPolarHBondContact O-CB 3.36Å; Q172-T175 PolarHBondContact O-N 2.93Å; A173-T175 VanDerWaalsContact C-N 3.27Å; A173-T175 PolarHBondContact O-N 3.49Å; T175-R178 PolarHBondContact O-N 2.98Å; T175-S179 PolarHBondContact O-N 2.94Å
176	R	82.5	Confident	81.2	Confident	129 Å²	129	111.9 Å²	111.9	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-53.6	172.8	178.8	179.8	172.1	-176.4	-1.6	111.2	E168 Q172 A173 R178 S179 E180	E168-R176 VanDerWaalsContact OE1-CD 3.32Å; E168-R176 WeakPolarHBondContact OE1-CD 3.24Å; E168-R176 IonicContact OE2-NH1 2.66Å; E168-R176 PolarHBondContact OE2-NH1 3.37Å; E168-R176 VanDerWaalsContact OE2-NH1 3.09Å; Q172-R176 WeakPolarHBondContact O-CB 3.48Å; Q172-R176 PolarHBondContact O-N 3.47Å; A173-R176 WeakPolarHBondContact O-CB 3.37Å; A173-R176 PolarHBondContact O-N 3.37Å; R176-R178 VanDerWaalsContact C-N 3.28Å; R176-R178 PolarHBondContact O-N 2.7Å; R176-S179 CarbonylContact O-C 3.54Å; R176-S179 WeakPolarHBondContact O-CA 3.33Å; R176-S179 WeakPolarHBondContact O-CB 3.4Å; R176-S179 PolarHBondContact O-N 2.94Å; R176-S179 PolarHBondContact O-OG 2.9Å; R176-E180 HydrophobicContact CG-CG 4.38Å; R176-E180 WeakPolarHBondContact CG-OE1 3.49Å; R176-E180 IonicContact CZ-OE1 2.84Å; R176-E180 IonicContact NE-OE1 3.09Å; R176-E180 PolarHBondContact NE-OE1 3.29Å; R176-E180 IonicContact NH2-OE1 2.96Å; R176-E180 WeakPolarHBondContact O-CG 3.48Å; R176-E180 PolarHBondContact O-N 3.43Å
177	E	83	Confident	82.1	Confident	124 Å²	124	107.1 Å²	107.1	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-50.7	-46.1	173.6	-76.1	173	176.7	0	0	111.7	A173 S179 E180 K181	A173-E177 WeakPolarHBondContact O-CB 3.35Å; A173-E177 WeakPolarHBondContact O-CG 3.48Å; A173-E177 PolarHBondContact O-N 2.94Å; E177-S179 PolarHBondContact O-N 3.16Å; E177-E180 PolarHBondContact O-N 2.83Å; E177-K181 VanDerWaalsContact O-CB 3.24Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 3.46Å
178	R	83.5	Confident	83.1	Confident	172 Å²	172	102 Å²	102	65%	0.649	49%	0.493	S	S	*	.	H	α-helix	trans	-62	-42.5	175	-75.4	167.8	-177.2	-174.1	0.2	112	K174 T175 R176 K181 I182	K174-R178 WeakPolarHBondContact O-CB 3.17Å; K174-R178 VanDerWaalsContact O-CD 3.31Å; K174-R178 WeakPolarHBondContact O-CD 3.21Å; K174-R178 WeakPolarHBondContact O-CG 3.4Å; K174-R178 PolarHBondContact O-N 3.33Å; T175-R178 PolarHBondContact O-N 2.98Å; R176-R178 VanDerWaalsContact C-N 3.28Å; R176-R178 PolarHBondContact O-N 2.7Å; R178-K181 PolarHBondContact O-N 3.26Å; R178-I182 WeakPolarHBondContact O-CB 3.29Å; R178-I182 WeakPolarHBondContact O-CD1 3.48Å; R178-I182 VanDerWaalsContact O-CG1 3.25Å; R178-I182 WeakPolarHBondContact O-CG1 3.32Å; R178-I182 PolarHBondContact O-N 3.17Å
179	S	83	Confident	84	Confident	46 Å²	46	104.4 Å²	104.4	32%	0.322	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-36.9	179	82.7	0	0	0	0	112.6	T175 R176 E177 K183	T175-S179 PolarHBondContact O-N 2.94Å; R176-S179 CarbonylContact O-C 3.54Å; R176-S179 WeakPolarHBondContact O-CA 3.33Å; R176-S179 WeakPolarHBondContact O-CB 3.4Å; R176-S179 PolarHBondContact O-N 2.94Å; R176-S179 PolarHBondContact O-OG 2.9Å; E177-S179 PolarHBondContact O-N 3.16Å; S179-K183 WeakPolarHBondContact O-CB 3.3Å; S179-K183 VanDerWaalsContact O-CG 3.24Å; S179-K183 WeakPolarHBondContact O-CG 3.16Å; S179-K183 PolarHBondContact O-N 3.28Å
180	E	87.2	Confident	84.5	Confident	89 Å²	89	105.3 Å²	105.3	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-70.5	-41.5	175.8	-71.4	172.8	177.1	0	0	110.4	R176 E177 K183 L184	R176-E180 HydrophobicContact CG-CG 4.38Å; R176-E180 WeakPolarHBondContact CG-OE1 3.49Å; R176-E180 IonicContact CZ-OE1 2.84Å; R176-E180 IonicContact NE-OE1 3.09Å; R176-E180 PolarHBondContact NE-OE1 3.29Å; R176-E180 IonicContact NH2-OE1 2.96Å; R176-E180 WeakPolarHBondContact O-CG 3.48Å; R176-E180 PolarHBondContact O-N 3.43Å; E177-E180 PolarHBondContact O-N 2.83Å; E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.39Å; E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 3.34Å
181	K	88.1	Confident	85	Confident	128 Å²	128	107 Å²	107	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-60.9	-44.8	171.3	-171.8	172.1	-168.8	-79.7	0	112.4	E177 R178 L184 E185	E177-K181 VanDerWaalsContact O-CB 3.24Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 3.46Å; R178-K181 PolarHBondContact O-N 3.26Å; K181-L184 PolarHBondContact O-N 3.47Å; K181-E185 IonicContact NZ-OE1 3.54Å; K181-E185 PolarHBondContact NZ-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CB 3.3Å; K181-E185 WeakPolarHBondContact O-CG 3.39Å; K181-E185 PolarHBondContact O-N 3.35Å
182	I	84.9	Confident	85.5	Confident	110 Å²	110	106.4 Å²	106.4	56%	0.564	49%	0.487	S	S	*	.	H	α-helix	trans	-63.3	-41	175.3	-72.3	159.8	0	0	0	111	R178 E185 F186	R178-I182 WeakPolarHBondContact O-CB 3.29Å; R178-I182 WeakPolarHBondContact O-CD1 3.48Å; R178-I182 VanDerWaalsContact O-CG1 3.25Å; R178-I182 WeakPolarHBondContact O-CG1 3.32Å; R178-I182 PolarHBondContact O-N 3.17Å; I182-E185 PolarHBondContact O-N 3.03Å; I182-F186 VanDerWaalsContact O-CB 3.27Å; I182-F186 WeakPolarHBondContact O-CB 3.45Å; I182-F186 PolarHBondContact O-N 3.22Å
183	K	85.8	Confident	86	Confident	141 Å²	141	103.1 Å²	103.1	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-61.6	-44.1	174.2	-75.2	167	-177.8	173.5	0	111.6	S179 E180 F186 E187	S179-K183 WeakPolarHBondContact O-CB 3.3Å; S179-K183 VanDerWaalsContact O-CG 3.24Å; S179-K183 WeakPolarHBondContact O-CG 3.16Å; S179-K183 PolarHBondContact O-N 3.28Å; E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.39Å; K183-F186 PolarHBondContact O-N 3.01Å; K183-E187 WeakPolarHBondContact O-CB 3.45Å; K183-E187 PolarHBondContact O-N 3.33Å
184	L	87.8	Confident	86.5	Confident	106 Å²	106	106.8 Å²	106.8	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-66.1	-42.3	177.8	-165.6	87.3	0	0	0	112	E180 K181 F186 E187 T188	E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 3.34Å; K181-L184 PolarHBondContact O-N 3.47Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-E187 PolarHBondContact O-N 3.09Å; L184-T188 WeakPolarHBondContact O-CB 3.5Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.78Å; L184-T188 PolarHBondContact O-OG1 2.71Å
185	E	86.6	Confident	86.8	Confident	93 Å²	93	107.6 Å²	107.6	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-40.5	174.2	-76.2	172.6	-176.8	0	0	111.2	K181 I182 T188 Y189	K181-E185 IonicContact NZ-OE1 3.54Å; K181-E185 PolarHBondContact NZ-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CB 3.3Å; K181-E185 WeakPolarHBondContact O-CG 3.39Å; K181-E185 PolarHBondContact O-N 3.35Å; I182-E185 PolarHBondContact O-N 3.03Å; E185-T188 WeakPolarHBondContact CA-OG1 3.13Å; E185-T188 PolarHBondContact O-OG1 3.5Å; E185-T188 VanDerWaalsContact O-OG1 3.09Å; E185-Y189 VanDerWaalsContact O-CB 3.29Å; E185-Y189 WeakPolarHBondContact O-CB 3.3Å; E185-Y189 PolarHBondContact O-N 3.29Å
186	F	86.3	Confident	87.2	Confident	125 Å²	125	110.8 Å²	110.8	55%	0.548	50%	0.497	S	S	.	.	H	α-helix	trans	-69.5	-42.9	175.5	-175.4	-108.7	0	0	0	112.8	I182 K183 L184 Y189 L190	I182-F186 VanDerWaalsContact O-CB 3.27Å; I182-F186 WeakPolarHBondContact O-CB 3.45Å; I182-F186 PolarHBondContact O-N 3.22Å; K183-F186 PolarHBondContact O-N 3.01Å; L184-F186 VanDerWaalsContact C-N 3.34Å; F186-Y189 WeakPolarHBondContact O-CB 3.47Å; F186-Y189 PolarHBondContact O-N 3.17Å; F186-L190 HydrophobicContact CD1-CD1 4Å; F186-L190 HydrophobicContact CD1-CG 4.48Å; F186-L190 HydrophobicContact CE1-CD1 3.51Å; F186-L190 HydrophobicContact CE1-CG 4.15Å; F186-L190 HydrophobicContact CZ-CD1 3.92Å; F186-L190 HydrophobicContact CZ-CD2 4.33Å; F186-L190 HydrophobicContact CZ-CG 4.18Å; F186-L190 WeakPolarHBondContact O-CG 3.38Å; F186-L190 PolarHBondContact O-N 2.81Å
187	E	89.5	Confident	87.6	Confident	88 Å²	88	111 Å²	111	41%	0.411	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-38.8	177.4	-163.9	-166.7	169.9	0	0	111.6	K183 L184 L190 R191	K183-E187 WeakPolarHBondContact O-CB 3.45Å; K183-E187 PolarHBondContact O-N 3.33Å; L184-E187 PolarHBondContact O-N 3.09Å; E187-L190 PolarHBondContact O-N 3.28Å; E187-R191 PolarHBondContact O-N 2.87Å; E187-R191 IonicContact OE1-CZ 3.44Å; E187-R191 IonicContact OE1-NH1 2.66Å; E187-R191 PolarHBondContact OE1-NH1 3.38Å; E187-R191 IonicContact OE1-NH2 2.82Å; E187-R191 PolarHBondContact OE1-NH2 2.98Å; E187-R191 IonicContact OE2-NH2 3.3Å; E187-R191 PolarHBondContact OE2-NH2 3.21Å
188	T	89.3	Confident	88	Confident	40 Å²	40	109 Å²	109	25%	0.245	50%	0.495	C	S	.	.	H	α-helix	trans	-70.3	-34.4	173.2	55.7	0	0	0	0	112.4	L184 E185 R191 R192	L184-T188 WeakPolarHBondContact O-CB 3.5Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.78Å; L184-T188 PolarHBondContact O-OG1 2.71Å; E185-T188 WeakPolarHBondContact CA-OG1 3.13Å; E185-T188 PolarHBondContact O-OG1 3.5Å; E185-T188 VanDerWaalsContact O-OG1 3.09Å; T188-R191 PolarHBondContact O-N 3.18Å; T188-R192 WeakPolarHBondContact O-CG 3.45Å; T188-R192 PolarHBondContact O-N 3.09Å; T188-R192 PolarHBondContact OG1-NH2 2.85Å
189	Y	87.8	Confident	88.4	Confident	134 Å²	134	105.5 Å²	105.5	53%	0.525	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-48	168.7	171.1	-94	0	0	0	111.4	E185 F186 R191 R192 A193	E185-Y189 VanDerWaalsContact O-CB 3.29Å; E185-Y189 WeakPolarHBondContact O-CB 3.3Å; E185-Y189 PolarHBondContact O-N 3.29Å; F186-Y189 WeakPolarHBondContact O-CB 3.47Å; F186-Y189 PolarHBondContact O-N 3.17Å; Y189-R191 PolarHBondContact O-N 3.26Å; Y189-R192 PolarHBondContact O-N 3.04Å; Y189-A193 WeakPolarHBondContact O-CB 3.25Å; Y189-A193 PolarHBondContact O-N 3.1Å
190	L	88.5	Confident	88.8	Confident	87 Å²	87	104.5 Å²	104.5	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176	-72.6	179.1	0	0	0	112.2	F186 E187 R192 A193 M194	F186-L190 HydrophobicContact CD1-CD1 4Å; F186-L190 HydrophobicContact CD1-CG 4.48Å; F186-L190 HydrophobicContact CE1-CD1 3.51Å; F186-L190 HydrophobicContact CE1-CG 4.15Å; F186-L190 HydrophobicContact CZ-CD1 3.92Å; F186-L190 HydrophobicContact CZ-CD2 4.33Å; F186-L190 HydrophobicContact CZ-CG 4.18Å; F186-L190 WeakPolarHBondContact O-CG 3.38Å; F186-L190 PolarHBondContact O-N 2.81Å; E187-L190 PolarHBondContact O-N 3.28Å; L190-R192 PolarHBondContact O-N 2.99Å; L190-A193 PolarHBondContact O-N 2.86Å; L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 PolarHBondContact O-N 3.48Å
191	R	90.1	Very high	89.1	Confident	131 Å²	131	103.4 Å²	103.4	49%	0.494	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-42.7	172.9	-81.2	-165.8	-95.4	-89.1	-0.1	112.1	E187 T188 Y189 K195	E187-R191 PolarHBondContact O-N 2.87Å; E187-R191 IonicContact OE1-CZ 3.44Å; E187-R191 IonicContact OE1-NH1 2.66Å; E187-R191 PolarHBondContact OE1-NH1 3.38Å; E187-R191 IonicContact OE1-NH2 2.82Å; E187-R191 PolarHBondContact OE1-NH2 2.98Å; E187-R191 IonicContact OE2-NH2 3.3Å; E187-R191 PolarHBondContact OE2-NH2 3.21Å; T188-R191 PolarHBondContact O-N 3.18Å; Y189-R191 PolarHBondContact O-N 3.26Å; R191-K195 WeakPolarHBondContact O-CB 3.13Å; R191-K195 WeakPolarHBondContact O-CG 3.48Å; R191-K195 PolarHBondContact O-N 3.41Å
192	R	88.6	Confident	89.4	Confident	145 Å²	145	100.2 Å²	100.2	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.3	-72.9	178.4	-128.9	150.9	6.2	111.8	T188 Y189 L190 K195 R196	T188-R192 WeakPolarHBondContact O-CG 3.45Å; T188-R192 PolarHBondContact O-N 3.09Å; T188-R192 PolarHBondContact OG1-NH2 2.85Å; Y189-R192 PolarHBondContact O-N 3.04Å; L190-R192 PolarHBondContact O-N 2.99Å; R192-K195 PolarHBondContact O-N 3.39Å; R192-R196 WeakPolarHBondContact O-CG 3.42Å; R192-R196 PolarHBondContact O-N 3.42Å
193	A	88.4	Confident	89.8	Confident	37 Å²	37	98 Å²	98	31%	0.306	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176.7	0	0	0	0	0	111.7	Y189 L190 R196 F197	Y189-A193 WeakPolarHBondContact O-CB 3.25Å; Y189-A193 PolarHBondContact O-N 3.1Å; L190-A193 PolarHBondContact O-N 2.86Å; A193-R196 PolarHBondContact O-N 3.02Å; A193-F197 WeakPolarHBondContact O-CB 3.13Å; A193-F197 PolarHBondContact O-N 3.32Å
194	M	89.5	Confident	90.2	Very high	107 Å²	107	95.2 Å²	95.2	53%	0.527	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-40	175.7	-167.8	67.1	-174.3	0	0	112.3	L190 F197 N198	L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 PolarHBondContact O-N 3.48Å; M194-F197 PolarHBondContact O-N 2.95Å; M194-N198 WeakPolarHBondContact O-CB 3.25Å; M194-N198 VanDerWaalsContact O-CG 3.22Å; M194-N198 PolarHBondContact O-N 3.21Å; M194-N198 PolarHBondContact O-ND2 2.94Å
195	K	90	Very high	90.6	Very high	138 Å²	138	93.2 Å²	93.2	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-60.1	-46.3	172.4	-82.2	-168.7	171.9	-164.2	0	111.5	R191 R192 N198 K199	R191-K195 WeakPolarHBondContact O-CB 3.13Å; R191-K195 WeakPolarHBondContact O-CG 3.48Å; R191-K195 PolarHBondContact O-N 3.41Å; R192-K195 PolarHBondContact O-N 3.39Å; K195-N198 PolarHBondContact O-N 3.14Å; K195-K199 WeakPolarHBondContact O-CB 3.49Å; K195-K199 PolarHBondContact O-N 3.2Å
196	R	90.3	Very high	91	Very high	157 Å²	157	88.9 Å²	88.9	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-61.6	-45	176.4	-72.8	174.4	-178.4	175.2	-5.3	112.2	R192 A193 K199 G200	R192-R196 WeakPolarHBondContact O-CG 3.42Å; R192-R196 PolarHBondContact O-N 3.42Å; A193-R196 PolarHBondContact O-N 3.02Å; R196-K199 WeakPolarHBondContact O-CB 3.47Å; R196-K199 PolarHBondContact O-N 3.12Å; R196-G200 PolarHBondContact O-N 3.31Å
197	F	91.7	Very high	91.4	Very high	134 Å²	134	85 Å²	85	59%	0.588	40%	0.401	S	S	*	.	H	α-helix	trans	-60.9	-47.8	176.4	-178.8	-98.3	0	0	0	111.6	A193 M194 K199 G200 V201	A193-F197 WeakPolarHBondContact O-CB 3.13Å; A193-F197 PolarHBondContact O-N 3.32Å; M194-F197 PolarHBondContact O-N 2.95Å; F197-K199 VanDerWaalsContact C-N 3.32Å; F197-K199 PolarHBondContact O-N 3.08Å; F197-G200 PolarHBondContact O-N 3.34Å; F197-V201 HydrophobicContact CD1-CG2 4.17Å; F197-V201 HydrophobicContact CE1-CG2 3.74Å; F197-V201 HydrophobicContact CE2-CG2 4.33Å; F197-V201 HydrophobicContact CZ-CG2 3.83Å; F197-V201 WeakPolarHBondContact O-CG2 3.27Å; F197-V201 PolarHBondContact O-N 3.26Å
198	N	91.7	Very high	91.8	Very high	82 Å²	82	85 Å²	85	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-36	176.8	-71.2	-12.4	0	0	0	112.6	M194 K195 H202	M194-N198 WeakPolarHBondContact O-CB 3.25Å; M194-N198 VanDerWaalsContact O-CG 3.22Å; M194-N198 PolarHBondContact O-N 3.21Å; M194-N198 PolarHBondContact O-ND2 2.94Å; K195-N198 PolarHBondContact O-N 3.14Å; N198-H202 WeakPolarHBondContact O-CB 3.44Å; N198-H202 PolarHBondContact O-N 3.01Å
199	K	90.7	Very high	92.1	Very high	97 Å²	97	86 Å²	86	42%	0.422	41%	0.408	S	S	.	.	H	α-helix	trans	-58.9	-53.2	172.8	-174.1	-169.1	176.6	-159.4	0	110.1	E128 K195 R196 F197 V201 H202 E203	E128-K199 IonicContact OE1-NZ 2.75Å; E128-K199 PolarHBondContact OE1-NZ 2.89Å; K195-K199 WeakPolarHBondContact O-CB 3.49Å; K195-K199 PolarHBondContact O-N 3.2Å; R196-K199 WeakPolarHBondContact O-CB 3.47Å; R196-K199 PolarHBondContact O-N 3.12Å; F197-K199 VanDerWaalsContact C-N 3.32Å; F197-K199 PolarHBondContact O-N 3.08Å; K199-V201 PolarHBondContact O-N 2.92Å; K199-H202 PolarHBondContact O-N 3.26Å; K199-H202 VanDerWaalsContact O-N 3.15Å; K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 IonicContact NZ-OE1 3.2Å; K199-E203 WeakPolarHBondContact O-CG 3.35Å; K199-E203 PolarHBondContact O-N 3.45Å
200	G	92	Very high	92.5	Very high	25 Å²	25	79.6 Å²	79.6	26%	0.258	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-46.2	177.4	0	0	0	0	0	113.4	R196 F197 H202 E203 D204	R196-G200 PolarHBondContact O-N 3.31Å; F197-G200 PolarHBondContact O-N 3.34Å; G200-H202 VanDerWaalsContact C-N 3.29Å; G200-H202 PolarHBondContact O-N 2.94Å; G200-E203 PolarHBondContact O-N 3.3Å; G200-D204 PolarHBondContact O-N 3.48Å
201	V	94	Very high	92.9	Very high	67 Å²	67	79 Å²	79	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-37.2	176.2	172	0	0	0	0	112.1	F197 K199 T205	F197-V201 HydrophobicContact CD1-CG2 4.17Å; F197-V201 HydrophobicContact CE1-CG2 3.74Å; F197-V201 HydrophobicContact CE2-CG2 4.33Å; F197-V201 HydrophobicContact CZ-CG2 3.83Å; F197-V201 WeakPolarHBondContact O-CG2 3.27Å; F197-V201 PolarHBondContact O-N 3.26Å; K199-V201 PolarHBondContact O-N 2.92Å; V201-T205 WeakPolarHBondContact O-CB 3.32Å; V201-T205 PolarHBondContact O-N 3.2Å; V201-T205 PolarHBondContact O-OG1 3.07Å
202	H	93.1	Very high	93.2	Very high	61 Å²	61	76.3 Å²	76.3	28%	0.282	38%	0.381	S	S	.	.	H	α-helix	trans	-70.6	-41.3	176.7	-173.8	80.9	0	0	0	112.1	N198 K199 G200 T205 H206 P323 L324	N198-H202 WeakPolarHBondContact O-CB 3.44Å; N198-H202 PolarHBondContact O-N 3.01Å; K199-H202 PolarHBondContact O-N 3.26Å; K199-H202 VanDerWaalsContact O-N 3.15Å; G200-H202 VanDerWaalsContact C-N 3.29Å; G200-H202 PolarHBondContact O-N 2.94Å; H202-T205 PolarHBondContact O-N 3.21Å; H202-H206 PolarHBondContact O-N 3.04Å; H202-P323 PolarHBondContact NE2-O 3.5Å; H202-L324 PolarHBondContact CD2-O 3.22Å; H202-L324 PolarHBondContact NE2-O 2.95Å
203	E	93.4	Very high	93.6	Very high	62 Å²	62	71.2 Å²	71.2	29%	0.29	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-42.4	173.8	-68.2	175	-179.6	0	0	111.7	K199 G200 H206 K207 L324	K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 IonicContact NZ-OE1 3.2Å; K199-E203 WeakPolarHBondContact O-CG 3.35Å; K199-E203 PolarHBondContact O-N 3.45Å; G200-E203 PolarHBondContact O-N 3.3Å; E203-H206 WeakPolarHBondContact O-CB 3.26Å; E203-H206 PolarHBondContact O-N 3.4Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.19Å; E203-L324 HydrophobicContact CB-CD1 4.15Å; E203-L324 HydrophobicContact CG-CD1 3.84Å
204	D	94.4	Very high	94	Very high	84 Å²	84	69.7 Å²	69.7	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-34.3	175.8	-69.9	-21	0	0	0	112.2	G200 H206 K207 V208	G200-D204 PolarHBondContact O-N 3.48Å; D204-H206 VanDerWaalsContact C-N 3.33Å; D204-H206 PolarHBondContact O-N 3.1Å; D204-K207 PolarHBondContact O-N 3.25Å; D204-K207 IonicContact OD1-NZ 3.63Å; D204-K207 PolarHBondContact OD1-NZ 3.03Å; D204-V208 WeakPolarHBondContact O-CG2 3.43Å; D204-V208 PolarHBondContact O-N 2.86Å
205	T	95.9	Very high	94.3	Very high	63 Å²	63	67.2 Å²	67.2	39%	0.387	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-40.1	172.1	-58.4	0	0	0	0	111.3	V201 H202 H209 I322	V201-T205 WeakPolarHBondContact O-CB 3.32Å; V201-T205 PolarHBondContact O-N 3.2Å; V201-T205 PolarHBondContact O-OG1 3.07Å; H202-T205 PolarHBondContact O-N 3.21Å; T205-H209 WeakPolarHBondContact O-CB 3.33Å; T205-H209 PolarHBondContact O-N 3.31Å; T205-I322 HydrophobicContact CG2-CD1 4.01Å
206	H	95.3	Very high	94.5	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.014	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-49.2	172.5	176.3	95.7	0	0	0	111.6	H202 E203 D204 V208 H209 L210 P321 I322 L324 Y568	H202-H206 PolarHBondContact O-N 3.04Å; E203-H206 WeakPolarHBondContact O-CB 3.26Å; E203-H206 PolarHBondContact O-N 3.4Å; D204-H206 VanDerWaalsContact C-N 3.33Å; D204-H206 PolarHBondContact O-N 3.1Å; H206-V208 PolarHBondContact O-N 3.3Å; H206-H209 PolarHBondContact O-N 3.41Å; H206-L210 WeakPolarHBondContact O-CB 3.38Å; H206-L210 PolarHBondContact O-N 3.45Å; H206-P321 VanDerWaalsContact CE1-CG 3.45Å; H206-P321 WeakPolarHBondContact CE1-CG 3.29Å; H206-I322 PolarHBondContact ND1-O 2.98Å; H206-L324 HydrophobicContact CB-CD1 3.79Å; H206-Y568 AromaticContact CE1-CE2 3.78Å; H206-Y568 AromaticContact NE2-CE2 3.49Å; H206-Y568 WeakPolarHBondContact NE2-CE2 3.48Å; H206-Y568 AromaticContact NE2-CZ 3.51Å; H206-Y568 PolarHBondContact NE2-OH 3.23Å
207	K	95.6	Very high	94.7	Very high	44 Å²	44	56.3 Å²	56.3	19%	0.191	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-49.3	177	-70.2	171.6	-161.8	159.1	0	111.9	E203 D204 H209 L210 L211 V598 W602	E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.19Å; D204-K207 PolarHBondContact O-N 3.25Å; D204-K207 IonicContact OD1-NZ 3.63Å; D204-K207 PolarHBondContact OD1-NZ 3.03Å; K207-H209 PolarHBondContact O-N 3.08Å; K207-L210 WeakPolarHBondContact O-CB 3.24Å; K207-L210 PolarHBondContact O-N 2.94Å; K207-L211 WeakPolarHBondContact O-CG 3.26Å; K207-L211 PolarHBondContact O-N 2.78Å; K207-V598 HydrophobicContact CD-CG2 4.31Å; K207-V598 HydrophobicContact CG-CG2 3.87Å; K207-W602 HydrophobicContact CB-CH2 3.6Å; K207-W602 HydrophobicContact CB-CZ2 3.74Å; K207-W602 HydrophobicContact CB-CZ3 4.23Å; K207-W602 HydrophobicContact CD-CD2 4.17Å; K207-W602 HydrophobicContact CD-CH2 4.36Å; K207-W602 HydrophobicContact CD-CZ2 3.99Å; K207-W602 HydrophobicContact CG-CD2 4.3Å; K207-W602 HydrophobicContact CG-CE3 4.16Å; K207-W602 HydrophobicContact CG-CH2 3.69Å; K207-W602 HydrophobicContact CG-CZ2 3.82Å; K207-W602 HydrophobicContact CG-CZ3 3.86Å
208	V	96.9	Very high	94.9	Very high	87 Å²	87	51.4 Å²	51.4	53%	0.527	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-42.2	-179.9	171.4	0	0	0	0	111.5	D204 H206 L211 C212	D204-V208 WeakPolarHBondContact O-CG2 3.43Å; D204-V208 PolarHBondContact O-N 2.86Å; H206-V208 PolarHBondContact O-N 3.3Å; V208-L211 PolarHBondContact O-N 3.12Å; V208-C212 PolarHBondContact O-N 2.83Å; V208-C212 PolarHBondContact O-SG 3.27Å
209	H	97	Very high	95.1	Very high	60 Å²	60	53.1 Å²	53.1	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-42.3	176.3	-172.6	-163.6	0	0	0	111.4	T205 H206 K207 L211 C212 L213 I322	T205-H209 WeakPolarHBondContact O-CB 3.33Å; T205-H209 PolarHBondContact O-N 3.31Å; H206-H209 PolarHBondContact O-N 3.41Å; K207-H209 PolarHBondContact O-N 3.08Å; H209-L211 VanDerWaalsContact C-N 3.34Å; H209-L211 PolarHBondContact O-N 2.86Å; H209-C212 WeakPolarHBondContact O-CB 3.44Å; H209-C212 PolarHBondContact O-N 3.24Å; H209-C212 VanDerWaalsContact O-N 3.11Å; H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 3.26Å; H209-I322 HydrophobicContact CB-CD1 4.45Å; H209-I322 PolarHBondContact ND1-N 3.24Å; H209-I322 VanDerWaalsContact ND1-N 3.17Å
210	L	95.8	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-41.6	176.6	-172.2	61.4	0	0	0	112.3	H206 K207 L213 L214 L319 P321 Y568 W602 W603	H206-L210 WeakPolarHBondContact O-CB 3.38Å; H206-L210 PolarHBondContact O-N 3.45Å; K207-L210 WeakPolarHBondContact O-CB 3.24Å; K207-L210 PolarHBondContact O-N 2.94Å; L210-L213 PolarHBondContact O-N 2.7Å; L210-L214 PolarHBondContact O-N 3.01Å; L210-L319 HydrophobicContact CD1-CB 3.97Å; L210-L319 HydrophobicContact CD1-CD1 3.65Å; L210-L319 HydrophobicContact CD1-CG 4.47Å; L210-P321 HydrophobicContact CB-CB 4.38Å; L210-P321 HydrophobicContact CD1-CB 4.43Å; L210-P321 HydrophobicContact CD1-CG 4.21Å; L210-Y568 HydrophobicContact CD1-CD1 4.36Å; L210-Y568 HydrophobicContact CD1-CD2 3.75Å; L210-Y568 HydrophobicContact CD1-CE2 4.14Å; L210-Y568 HydrophobicContact CD1-CG 3.87Å; L210-Y568 HydrophobicContact CD2-CD1 4.03Å; L210-Y568 HydrophobicContact CD2-CD2 4.28Å; L210-Y568 HydrophobicContact CD2-CE1 3.71Å; L210-Y568 HydrophobicContact CD2-CE2 3.98Å; L210-Y568 HydrophobicContact CD2-CG 4.3Å; L210-W602 HydrophobicContact CD2-CZ3 4.4Å; L210-W603 HydrophobicContact CD1-CH2 4.16Å; L210-W603 HydrophobicContact CD1-CZ3 4.37Å; L210-W603 HydrophobicContact CD2-CE3 3.69Å; L210-W603 HydrophobicContact CD2-CH2 3.85Å; L210-W603 HydrophobicContact CD2-CZ3 3.31Å; L210-W603 HydrophobicContact CG-CE3 4.46Å; L210-W603 HydrophobicContact CG-CH2 3.88Å; L210-W603 HydrophobicContact CG-CZ3 3.6Å
211	L	96.5	Very high	95.4	Very high	74 Å²	74	49.3 Å²	49.3	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-38.6	173.1	-69	172.6	0	0	0	112.7	K207 V208 H209 L214 A215 W602 T606	K207-L211 WeakPolarHBondContact O-CG 3.26Å; K207-L211 PolarHBondContact O-N 2.78Å; V208-L211 PolarHBondContact O-N 3.12Å; H209-L211 VanDerWaalsContact C-N 3.34Å; H209-L211 PolarHBondContact O-N 2.86Å; L211-L214 PolarHBondContact O-N 3.01Å; L211-A215 WeakPolarHBondContact O-CB 3.08Å; L211-A215 PolarHBondContact O-N 3.36Å; L211-W602 HydrophobicContact CD1-CH2 4.49Å; L211-W602 HydrophobicContact CD1-CZ2 4.29Å; L211-W602 HydrophobicContact CD2-CH2 4.41Å; L211-W602 HydrophobicContact CG-CH2 4.25Å; L211-T606 HydrophobicContact CD2-CG2 3.53Å
212	C	97.4	Very high	95.4	Very high	76 Å²	76	50.1 Å²	50.1	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-39.5	176.1	-65.2	0	0	0	0	112	V208 H209 A215 N216	V208-C212 PolarHBondContact O-N 2.83Å; V208-C212 PolarHBondContact O-SG 3.27Å; H209-C212 WeakPolarHBondContact O-CB 3.44Å; H209-C212 PolarHBondContact O-N 3.24Å; H209-C212 VanDerWaalsContact O-N 3.11Å; C212-A215 PolarHBondContact O-N 3.04Å; C212-N216 PolarHBondContact O-N 3.16Å
213	L	96.4	Very high	95.4	Very high	38 Å²	38	48.1 Å²	48.1	20%	0.199	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-41.4	175.3	-66.8	171.6	0	0	0	111.5	H209 L210 N216 G217 L319 P321	H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 3.26Å; L210-L213 PolarHBondContact O-N 2.7Å; L213-N216 WeakPolarHBondContact O-CB 3.37Å; L213-N216 PolarHBondContact O-N 3.21Å; L213-G217 PolarHBondContact O-N 3.43Å; L213-L319 HydrophobicContact CB-CB 4.33Å; L213-L319 HydrophobicContact CB-CD2 4.12Å; L213-L319 HydrophobicContact CD1-CB 4.13Å; L213-P321 HydrophobicContact CD1-CB 4.33Å
214	L	95.9	Very high	95.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-41.4	173.9	-175	64.7	0	0	0	111.8	L210 L211 N216 G217 F218 V570 V578 L607	L210-L214 PolarHBondContact O-N 3.01Å; L211-L214 PolarHBondContact O-N 3.01Å; L214-N216 PolarHBondContact O-N 3.27Å; L214-G217 WeakPolarHBondContact O-CA 3.32Å; L214-G217 PolarHBondContact O-N 3Å; L214-G217 VanDerWaalsContact O-N 3.13Å; L214-F218 HydrophobicContact CD1-CE2 4.18Å; L214-F218 HydrophobicContact CD1-CZ 4.46Å; L214-F218 HydrophobicContact CD2-CE2 4.05Å; L214-F218 HydrophobicContact CG-CD2 4.16Å; L214-F218 HydrophobicContact CG-CE2 3.67Å; L214-F218 HydrophobicContact CG-CZ 4.37Å; L214-F218 VanDerWaalsContact O-CD2 3.28Å; L214-F218 WeakPolarHBondContact O-CD2 3.28Å; L214-F218 PolarHBondContact O-N 3.2Å; L214-V570 HydrophobicContact CD1-CG2 4.21Å; L214-V578 HydrophobicContact CD1-CG1 4.22Å; L214-L607 HydrophobicContact CD2-CD2 4.04Å
215	A	96	Very high	95.3	Very high	55 Å²	55	42.8 Å²	42.8	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-39.1	175.1	0	0	0	0	0	113.2	L211 C212 G217 F218 Y219	L211-A215 WeakPolarHBondContact O-CB 3.08Å; L211-A215 PolarHBondContact O-N 3.36Å; C212-A215 PolarHBondContact O-N 3.04Å; A215-G217 VanDerWaalsContact C-N 3.34Å; A215-F218 PolarHBondContact O-N 3.17Å; A215-Y219 PolarHBondContact O-N 2.93Å
216	N	94.7	Very high	95.2	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.353	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-41.1	170.6	175.3	38.8	0	0	0	111.2	C212 L213 L214 Y219 R220	C212-N216 PolarHBondContact O-N 3.16Å; L213-N216 WeakPolarHBondContact O-CB 3.37Å; L213-N216 PolarHBondContact O-N 3.21Å; L214-N216 PolarHBondContact O-N 3.27Å; N216-Y219 WeakPolarHBondContact O-CB 3.33Å; N216-Y219 PolarHBondContact O-N 3.46Å; N216-R220 PolarHBondContact ND2-NE 3.41Å; N216-R220 WeakPolarHBondContact O-CG 3.49Å; N216-R220 PolarHBondContact O-N 3.15Å; N216-R220 PolarHBondContact OD1-NE 2.9Å; N216-R220 VanDerWaalsContact OD1-NE 3.13Å
217	G	95.4	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-47.7	173.4	0	0	0	0	0	113.3	L213 L214 A215 Y219 R220 N221 I572	L213-G217 PolarHBondContact O-N 3.43Å; L214-G217 WeakPolarHBondContact O-CA 3.32Å; L214-G217 PolarHBondContact O-N 3Å; L214-G217 VanDerWaalsContact O-N 3.13Å; A215-G217 VanDerWaalsContact C-N 3.34Å; G217-Y219 VanDerWaalsContact C-N 3.33Å; G217-Y219 PolarHBondContact O-N 3.43Å; G217-R220 PolarHBondContact O-N 3.49Å; G217-N221 WeakPolarHBondContact O-CB 3.46Å; G217-N221 PolarHBondContact O-N 2.96Å; G217-I572 VanDerWaalsContact C-CD1 3.46Å
218	F	95.5	Very high	95	Very high	30 Å²	30	49.6 Å²	49.6	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-41.3	173.7	-73.7	-58.2	0	0	0	112.8	L214 A215 N221 N222 I572 G576 V578 Y610	L214-F218 HydrophobicContact CD1-CE2 4.18Å; L214-F218 HydrophobicContact CD1-CZ 4.46Å; L214-F218 HydrophobicContact CD2-CE2 4.05Å; L214-F218 HydrophobicContact CG-CD2 4.16Å; L214-F218 HydrophobicContact CG-CE2 3.67Å; L214-F218 HydrophobicContact CG-CZ 4.37Å; L214-F218 VanDerWaalsContact O-CD2 3.28Å; L214-F218 WeakPolarHBondContact O-CD2 3.28Å; L214-F218 PolarHBondContact O-N 3.2Å; A215-F218 PolarHBondContact O-N 3.17Å; F218-N221 PolarHBondContact O-N 3.4Å; F218-N222 WeakPolarHBondContact O-CB 3.45Å; F218-N222 PolarHBondContact O-N 3.32Å; F218-N222 PolarHBondContact O-ND2 3.05Å; F218-I572 HydrophobicContact CD1-CG2 4.22Å; F218-I572 HydrophobicContact CE1-CG2 4.38Å; F218-G576 WeakPolarHBondContact CE1-O 3.4Å; F218-V578 HydrophobicContact CD1-CG2 4.44Å; F218-V578 HydrophobicContact CE1-CG2 3.34Å; F218-V578 HydrophobicContact CZ-CG2 3.43Å; F218-V578 VanDerWaalsContact CZ-CG2 3.43Å; F218-Y610 AromaticContact CE1-CD1 3.82Å; F218-Y610 HydrophobicContact CE1-CD1 3.82Å; F218-Y610 HydrophobicContact CE1-CE1 4.06Å; F218-Y610 HydrophobicContact CE1-CG 4.32Å; F218-Y610 HydrophobicContact CE2-CD1 4.32Å; F218-Y610 AromaticContact CE2-CE1 3.95Å; F218-Y610 HydrophobicContact CE2-CE1 3.95Å; F218-Y610 HydrophobicContact CE2-CE2 4.17Å; F218-Y610 AromaticContact CE2-CZ 3.87Å; F218-Y610 AromaticContact CZ-CD1 3.42Å; F218-Y610 HydrophobicContact CZ-CD1 3.42Å; F218-Y610 VanDerWaalsContact CZ-CD1 3.42Å; F218-Y610 AromaticContact CZ-CD2 3.94Å; F218-Y610 HydrophobicContact CZ-CD2 3.94Å; F218-Y610 AromaticContact CZ-CE1 3.48Å; F218-Y610 HydrophobicContact CZ-CE1 3.48Å; F218-Y610 VanDerWaalsContact CZ-CE1 3.48Å; F218-Y610 HydrophobicContact CZ-CE2 4.01Å; F218-Y610 AromaticContact CZ-CG 3.65Å; F218-Y610 HydrophobicContact CZ-CG 3.65Å; F218-Y610 AromaticContact CZ-CZ 3.78Å
219	Y	94.8	Very high	94.8	Very high	118 Å²	118	45.4 Å²	45.4	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-49.3	177.6	173.9	-105.7	0	0	0	112	A215 N216 G217 N221 N222 I223	A215-Y219 PolarHBondContact O-N 2.93Å; N216-Y219 WeakPolarHBondContact O-CB 3.33Å; N216-Y219 PolarHBondContact O-N 3.46Å; G217-Y219 VanDerWaalsContact C-N 3.33Å; G217-Y219 PolarHBondContact O-N 3.43Å; Y219-N221 PolarHBondContact O-N 3.39Å; Y219-N222 PolarHBondContact O-N 2.91Å; Y219-I223 HydrophobicContact CD1-CD1 4.42Å; Y219-I223 HydrophobicContact CD2-CD1 4.29Å; Y219-I223 HydrophobicContact CE1-CD1 3.82Å; Y219-I223 HydrophobicContact CE2-CD1 3.66Å; Y219-I223 PolarHBondContact O-N 3.06Å
220	R	94.3	Very high	94.7	Very high	42 Å²	42	44.5 Å²	44.5	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-57.7	-48.1	174.3	-68.7	169.4	-178.2	-138.4	-10.9	111.4	N216 G217 N222 I223 C224 L279 E296 L315	N216-R220 PolarHBondContact ND2-NE 3.41Å; N216-R220 WeakPolarHBondContact O-CG 3.49Å; N216-R220 PolarHBondContact O-N 3.15Å; N216-R220 PolarHBondContact OD1-NE 2.9Å; N216-R220 VanDerWaalsContact OD1-NE 3.13Å; G217-R220 PolarHBondContact O-N 3.49Å; R220-N222 PolarHBondContact O-N 3.19Å; R220-I223 PolarHBondContact O-N 3.24Å; R220-C224 PolarHBondContact O-N 3.32Å; R220-L279 HydrophobicContact CG-CD2 4.42Å; R220-E296 IonicContact CZ-OE2 3.51Å; R220-E296 IonicContact NH1-OE2 2.83Å; R220-E296 PolarHBondContact NH1-OE2 3.26Å; R220-E296 IonicContact NH2-OE2 2.71Å; R220-E296 PolarHBondContact NH2-OE2 3.46Å; R220-L315 HydrophobicContact CB-CD2 3.99Å
221	N	95.1	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-46.2	-180	-172.2	60.3	0	0	0	112.6	G217 F218 Y219 I223 C224 S225 R307 I572 D573	G217-N221 WeakPolarHBondContact O-CB 3.46Å; G217-N221 PolarHBondContact O-N 2.96Å; F218-N221 PolarHBondContact O-N 3.4Å; Y219-N221 PolarHBondContact O-N 3.39Å; N221-I223 VanDerWaalsContact C-N 3.31Å; N221-I223 PolarHBondContact O-N 3.27Å; N221-C224 CarbonylContact O-C 3.54Å; N221-C224 PolarHBondContact O-N 3.02Å; N221-S225 PolarHBondContact O-N 3.17Å; N221-S225 PolarHBondContact O-OG 2.99Å; N221-R307 PolarHBondContact O-NH1 2.84Å; N221-R307 PolarHBondContact OD1-NH1 2.68Å; N221-R307 PolarHBondContact OD1-NH2 3.03Å; N221-I572 HydrophobicContact CB-CB 4.45Å; N221-I572 HydrophobicContact CB-CG2 3.84Å; N221-D573 PolarHBondContact ND2-O 2.84Å; N221-D573 PolarHBondContact OD1-O 2.95Å
222	N	94.3	Very high	94.5	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-32.5	-179.5	-71.8	-21.8	0	0	0	112.7	F218 Y219 R220 S225 Q226	F218-N222 WeakPolarHBondContact O-CB 3.45Å; F218-N222 PolarHBondContact O-N 3.32Å; F218-N222 PolarHBondContact O-ND2 3.05Å; Y219-N222 PolarHBondContact O-N 2.91Å; R220-N222 PolarHBondContact O-N 3.19Å; N222-S225 PolarHBondContact O-N 2.76Å; N222-Q226 PolarHBondContact O-NE2 3.12Å
223	I	93.6	Very high	94.2	Very high	19 Å²	19	43 Å²	43	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-72.1	-43.6	173.5	-69	-179.2	0	0	0	110.1	Y219 R220 N221 S225 Q226 L229 L279 Q280 L283	Y219-I223 HydrophobicContact CD1-CD1 4.42Å; Y219-I223 HydrophobicContact CD2-CD1 4.29Å; Y219-I223 HydrophobicContact CE1-CD1 3.82Å; Y219-I223 HydrophobicContact CE2-CD1 3.66Å; Y219-I223 PolarHBondContact O-N 3.06Å; R220-I223 PolarHBondContact O-N 3.24Å; N221-I223 VanDerWaalsContact C-N 3.31Å; N221-I223 PolarHBondContact O-N 3.27Å; I223-S225 PolarHBondContact O-N 3.02Å; I223-Q226 WeakPolarHBondContact O-CG 3.48Å; I223-Q226 PolarHBondContact O-N 2.92Å; I223-Q226 VanDerWaalsContact O-N 3.09Å; I223-L229 HydrophobicContact CG2-CD1 4.08Å; I223-L229 WeakPolarHBondContact O-CD1 3.36Å; I223-L279 HydrophobicContact CB-CD2 4.44Å; I223-L279 HydrophobicContact CD1-CB 3.86Å; I223-L279 HydrophobicContact CD1-CD2 4.16Å; I223-L279 HydrophobicContact CD1-CG 4.39Å; I223-L279 HydrophobicContact CG2-CB 4.49Å; I223-L279 HydrophobicContact CG2-CD2 4.27Å; I223-L279 HydrophobicContact CG2-CG 4.18Å; I223-Q280 HydrophobicContact CG2-CB 4.18Å; I223-L283 HydrophobicContact CG2-CD1 4.21Å
224	C	93.3	Very high	94.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	3.4	172.1	-66.1	0	0	0	0	114.6	R220 N221 H230 L303 L304 R307	R220-C224 PolarHBondContact O-N 3.32Å; N221-C224 CarbonylContact O-C 3.54Å; N221-C224 PolarHBondContact O-N 3.02Å; C224-H230 PolarHBondContact O-NE2 3.4Å; C224-L303 HydrophobicContact CB-CD2 3.73Å; C224-L303 HydrophobicContact CB-CG 4.19Å; C224-L304 HydrophobicContact CB-CD2 4.25Å; C224-L304 HydrophobicContact CB-CG 4.3Å; C224-L304 WeakPolarHBondContact O-CD2 3.47Å; C224-R307 WeakPolarHBondContact O-CD 3.44Å; C224-R307 PolarHBondContact O-NH1 3.37Å
225	S	92.3	Very high	93.9	Very high	34 Å²	34	49.4 Å²	49.4	24%	0.238	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	8.8	170.9	-67.2	0	0	0	0	113.2	N221 N222 I223 R307 S574	N221-S225 PolarHBondContact O-N 3.17Å; N221-S225 PolarHBondContact O-OG 2.99Å; N222-S225 PolarHBondContact O-N 2.76Å; I223-S225 PolarHBondContact O-N 3.02Å; S225-R307 PolarHBondContact OG-NH1 3.22Å; S225-S574 PolarHBondContact OG-O 3.29Å
226	Q	92.9	Very high	93.8	Very high	72 Å²	72	48 Å²	48	34%	0.336	26%	0.262	S	S	.	.			trans	-74.7	133.4	175	-63.2	-51.4	-60.4	0	0	112	N222 I223 D228 L229 H230	N222-Q226 PolarHBondContact O-NE2 3.12Å; I223-Q226 WeakPolarHBondContact O-CG 3.48Å; I223-Q226 PolarHBondContact O-N 2.92Å; I223-Q226 VanDerWaalsContact O-N 3.09Å; Q226-D228 VanDerWaalsContact C-N 3.33Å; Q226-D228 PolarHBondContact O-N 3.4Å; Q226-L229 HydrophobicContact CB-CD1 4.39Å; Q226-L229 PolarHBondContact O-N 2.73Å; Q226-H230 PolarHBondContact O-N 2.99Å
227	P	93.5	Very high	93.7	Very high	83 Å²	83	45.4 Å²	45.4	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-31.3	-175.7	27.3	-35.3	0	0	0	113.3	L229 H230 A231	P227-L229 VanDerWaalsContact C-N 3.35Å; P227-L229 PolarHBondContact O-N 3.29Å; P227-H230 WeakPolarHBondContact O-CB 3.22Å; P227-H230 PolarHBondContact O-N 3.5Å; P227-H230 VanDerWaalsContact O-N 3.16Å; P227-A231 PolarHBondContact O-N 3.24Å
228	D	93.3	Very high	93.6	Very high	97 Å²	97	46.9 Å²	46.9	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-42.6	179.9	-55.6	-29.3	0	0	0	111.1	Q226 A231 I232	Q226-D228 VanDerWaalsContact C-N 3.33Å; Q226-D228 PolarHBondContact O-N 3.4Å; D228-A231 PolarHBondContact O-N 3.29Å; D228-I232 WeakPolarHBondContact O-CG1 3.38Å; D228-I232 PolarHBondContact O-N 3.42Å; D228-I232 VanDerWaalsContact O-N 3.1Å
229	L	93.6	Very high	93.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-34.9	174.2	-73.2	172.8	0	0	0	112.2	I223 Q226 P227 G233 Q280 L283 E284 F287 L304	I223-L229 HydrophobicContact CG2-CD1 4.08Å; I223-L229 WeakPolarHBondContact O-CD1 3.36Å; Q226-L229 HydrophobicContact CB-CD1 4.39Å; Q226-L229 PolarHBondContact O-N 2.73Å; P227-L229 VanDerWaalsContact C-N 3.35Å; P227-L229 PolarHBondContact O-N 3.29Å; L229-G233 PolarHBondContact O-N 2.77Å; L229-Q280 HydrophobicContact CD1-CG 4.24Å; L229-Q280 HydrophobicContact CG-CG 4.45Å; L229-L283 HydrophobicContact CD1-CD1 4.41Å; L229-L283 HydrophobicContact CD2-CB 4.05Å; L229-E284 HydrophobicContact CD2-CG 3.66Å; L229-F287 HydrophobicContact CD2-CE2 4.48Å; L229-L304 HydrophobicContact CB-CD1 4.07Å; L229-L304 HydrophobicContact CB-CD2 3.6Å; L229-L304 HydrophobicContact CB-CG 4.47Å; L229-L304 HydrophobicContact CD1-CD1 4.08Å; L229-L304 HydrophobicContact CD1-CD2 4.3Å; L229-L304 HydrophobicContact CD2-CD1 4.4Å; L229-L304 HydrophobicContact CG-CD1 4.44Å
230	H	93.9	Very high	93.3	Very high	41 Å²	41	49.6 Å²	49.6	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-39.2	173.7	-59	156.4	0	0	0	111.8	C224 Q226 P227 G233 L234 L304 A308	C224-H230 PolarHBondContact O-NE2 3.4Å; Q226-H230 PolarHBondContact O-N 2.99Å; P227-H230 WeakPolarHBondContact O-CB 3.22Å; P227-H230 PolarHBondContact O-N 3.5Å; P227-H230 VanDerWaalsContact O-N 3.16Å; H230-G233 PolarHBondContact O-N 3.13Å; H230-L234 WeakPolarHBondContact O-CB 3.38Å; H230-L234 PolarHBondContact O-N 3.29Å; H230-L304 VanDerWaalsContact CD2-CD2 3.47Å; H230-L304 WeakPolarHBondContact CD2-CD2 3.29Å; H230-A308 HydrophobicContact CB-CB 4.35Å; H230-A308 WeakPolarHBondContact O-CB 3.39Å
231	A	94	Very high	93.2	Very high	63 Å²	63	48 Å²	48	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-42.7	176.5	0	0	0	0	0	111.9	P227 D228 L234 S235	P227-A231 PolarHBondContact O-N 3.24Å; D228-A231 PolarHBondContact O-N 3.29Å; A231-L234 PolarHBondContact O-N 2.98Å; A231-S235 PolarHBondContact O-N 3.35Å; A231-S235 VanDerWaalsContact O-N 3.12Å
232	I	93.6	Very high	93	Very high	55 Å²	55	51.1 Å²	51.1	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-49.8	172.5	-65.6	166.5	0	0	0	110.1	D228 L234 S235 I236 E284 F287	D228-I232 WeakPolarHBondContact O-CG1 3.38Å; D228-I232 PolarHBondContact O-N 3.42Å; D228-I232 VanDerWaalsContact O-N 3.1Å; I232-L234 PolarHBondContact O-N 2.98Å; I232-S235 PolarHBondContact O-N 3.49Å; I232-S235 PolarHBondContact O-OG 3.02Å; I232-I236 HydrophobicContact CG2-CD1 4.41Å; I232-E284 HydrophobicContact CD1-CG 3.98Å; I232-F287 HydrophobicContact CG2-CB 3.53Å; I232-F287 HydrophobicContact CG2-CD1 4.27Å; I232-F287 HydrophobicContact CG2-CD2 3.95Å; I232-F287 HydrophobicContact CG2-CG 3.67Å
233	G	92.3	Very high	92.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-47.8	176.2	0	0	0	0	0	112.7	L229 H230 S235 I236 I237	L229-G233 PolarHBondContact O-N 2.77Å; H230-G233 PolarHBondContact O-N 3.13Å; G233-S235 VanDerWaalsContact C-N 3.29Å; G233-S235 PolarHBondContact O-N 2.69Å; G233-I236 PolarHBondContact O-N 3.43Å; G233-I236 VanDerWaalsContact O-N 3.13Å; G233-I237 WeakPolarHBondContact O-CG1 3.46Å; G233-I237 PolarHBondContact O-N 2.94Å
234	L	93	Very high	92.5	Very high	82 Å²	82	58.7 Å²	58.7	43%	0.429	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-35.9	-179.6	-169.3	60.4	0	0	0	112.8	H230 A231 I232 I236 I237 T242 A308	H230-L234 WeakPolarHBondContact O-CB 3.38Å; H230-L234 PolarHBondContact O-N 3.29Å; A231-L234 PolarHBondContact O-N 2.98Å; I232-L234 PolarHBondContact O-N 2.98Å; L234-I236 PolarHBondContact O-N 3.42Å; L234-I237 PolarHBondContact O-N 3.36Å; L234-T242 HydrophobicContact CD1-CG2 3.81Å; L234-A308 HydrophobicContact CB-CB 4.1Å
235	S	93.4	Very high	92.2	Very high	96 Å²	96	64 Å²	64	67%	0.671	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-22.7	178.6	77.1	0	0	0	0	113.8	A231 I232 G233	A231-S235 PolarHBondContact O-N 3.35Å; A231-S235 VanDerWaalsContact O-N 3.12Å; I232-S235 PolarHBondContact O-N 3.49Å; I232-S235 PolarHBondContact O-OG 3.02Å; G233-S235 VanDerWaalsContact C-N 3.29Å; G233-S235 PolarHBondContact O-N 2.69Å
236	I	92.4	Very high	91.8	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-91.8	-24.1	-177.3	-72.5	166.7	0	0	0	112.2	I232 G233 L234 P238 W260 F265 F287 Y290	I232-I236 HydrophobicContact CG2-CD1 4.41Å; G233-I236 PolarHBondContact O-N 3.43Å; G233-I236 VanDerWaalsContact O-N 3.13Å; L234-I236 PolarHBondContact O-N 3.42Å; I236-P238 WeakPolarHBondContact O-CD 3.45Å; I236-W260 HydrophobicContact CG2-CH2 4.24Å; I236-W260 HydrophobicContact CG2-CZ2 4.27Å; I236-F265 HydrophobicContact CG2-CE2 4.35Å; I236-F265 HydrophobicContact CG2-CZ 4.25Å; I236-F287 HydrophobicContact CD1-CB 4Å; I236-F287 HydrophobicContact CD1-CD1 3.56Å; I236-F287 HydrophobicContact CD1-CE1 4.46Å; I236-F287 HydrophobicContact CD1-CG 4.19Å; I236-Y290 HydrophobicContact CD1-CE1 4.15Å; I236-Y290 HydrophobicContact CG1-CE1 4.12Å; I236-Y290 HydrophobicContact CG2-CE1 3.68Å
237	I	93.3	Very high	91.5	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.056	36%	0.364	C	S	.	.	S	Bend	trans	-74.7	126.5	-172.4	-64.1	164.5	0	0	0	110.9	G233 L234 A239 F241 T242 W260 I305 A308 L309	G233-I237 WeakPolarHBondContact O-CG1 3.46Å; G233-I237 PolarHBondContact O-N 2.94Å; L234-I237 PolarHBondContact O-N 3.36Å; I237-A239 PolarHBondContact O-N 3.13Å; I237-F241 HydrophobicContact CG2-CB 3.76Å; I237-F241 HydrophobicContact CG2-CD2 4.18Å; I237-F241 HydrophobicContact CG2-CG 4.45Å; I237-T242 HydrophobicContact CB-CG2 4.36Å; I237-T242 HydrophobicContact CG2-CG2 3.97Å; I237-W260 HydrophobicContact CG1-CH2 4.18Å; I237-W260 HydrophobicContact CG1-CZ3 4.4Å; I237-I305 HydrophobicContact CD1-CB 4.25Å; I237-I305 HydrophobicContact CD1-CG1 4.35Å; I237-I305 HydrophobicContact CD1-CG2 3.77Å; I237-I305 HydrophobicContact CG1-CG1 4.32Å; I237-I305 HydrophobicContact CG1-CG2 4.02Å; I237-A308 HydrophobicContact CD1-CB 4.21Å; I237-L309 HydrophobicContact CD1-CD1 4.25Å; I237-L309 HydrophobicContact CD1-CD2 4.31Å; I237-L309 HydrophobicContact CD1-CG 3.9Å; I237-L309 HydrophobicContact CG2-CD2 4.28Å
238	P	93.8	Very high	91.2	Very high	31 Å²	31	69.4 Å²	69.4	20%	0.201	36%	0.36	C	S	.	.			trans	-56.5	132.4	176	-28.1	33.7	0	0	0	112.7	I236 R240 F241 W260	I236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-R240 HydrophobicContact CB-CG 4.21Å; P238-R240 PolarHBondContact O-N 3.06Å; P238-F241 HydrophobicContact CB-CD2 4.1Å; P238-F241 HydrophobicContact CB-CE2 4.45Å; P238-F241 HydrophobicContact CG-CD2 4.24Å; P238-F241 HydrophobicContact CG-CE2 4.3Å; P238-F241 PolarHBondContact O-N 2.93Å; P238-W260 HydrophobicContact CG-CD2 4.13Å; P238-W260 HydrophobicContact CG-CG 4.43Å; P238-W260 HydrophobicContact CG-CZ2 3.94Å
239	A	91.6	Very high	91	Very high	60 Å²	60	64.9 Å²	64.9	50%	0.496	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-7.5	-175.1	0	0	0	0	0	116.2	I237 T242 R243	I237-A239 PolarHBondContact O-N 3.13Å; A239-T242 WeakPolarHBondContact CA-OG1 3.4Å; A239-T242 PolarHBondContact O-OG1 3.47Å; A239-R243 VanDerWaalsContact O-CD 3.3Å; A239-R243 WeakPolarHBondContact O-CD 3.29Å; A239-R243 VanDerWaalsContact O-CG 3.22Å; A239-R243 WeakPolarHBondContact O-CG 3.47Å; A239-R243 PolarHBondContact O-NE 2.92Å
240	R	92.1	Very high	90.8	Very high	145 Å²	145	67.5 Å²	67.5	55%	0.547	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.9	169.3	66.5	179.5	-179.8	-91.9	-3.7	112.7	P238	P238-R240 HydrophobicContact CB-CG 4.21Å; P238-R240 PolarHBondContact O-N 3.06Å
241	F	92.4	Very high	90.7	Very high	10 Å²	10	68.2 Å²	68.2	4%	0.044	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-35.1	-178	-66.3	-61	0	0	0	111.7	I237 P238 R243 V244 Y253 N256 L257 W260	I237-F241 HydrophobicContact CG2-CB 3.76Å; I237-F241 HydrophobicContact CG2-CD2 4.18Å; I237-F241 HydrophobicContact CG2-CG 4.45Å; P238-F241 HydrophobicContact CB-CD2 4.1Å; P238-F241 HydrophobicContact CB-CE2 4.45Å; P238-F241 HydrophobicContact CG-CD2 4.24Å; P238-F241 HydrophobicContact CG-CE2 4.3Å; P238-F241 PolarHBondContact O-N 2.93Å; F241-R243 PolarHBondContact O-N 2.9Å; F241-V244 PolarHBondContact O-N 3.02Å; F241-Y253 HydrophobicContact CB-CE2 4.41Å; F241-Y253 HydrophobicContact CD1-CD2 4.44Å; F241-Y253 AromaticContact CD1-CE2 3.84Å; F241-Y253 HydrophobicContact CD1-CE2 3.84Å; F241-Y253 AromaticContact CD1-CZ 3.99Å; F241-Y253 PolarHBondContact O-OH 3.45Å; F241-N256 HydrophobicContact CE1-CB 4.48Å; F241-L257 HydrophobicContact CB-CD1 4.26Å; F241-L257 HydrophobicContact CD1-CB 4.45Å; F241-L257 HydrophobicContact CD1-CD1 3.89Å; F241-L257 HydrophobicContact CD2-CD1 3.74Å; F241-L257 HydrophobicContact CE1-CB 4.09Å; F241-L257 HydrophobicContact CE1-CD1 4.07Å; F241-L257 HydrophobicContact CE2-CD1 3.9Å; F241-L257 HydrophobicContact CG-CD1 3.73Å; F241-L257 HydrophobicContact CZ-CB 4.38Å; F241-L257 HydrophobicContact CZ-CD1 4.07Å; F241-W260 HydrophobicContact CD2-CE3 4.39Å; F241-W260 HydrophobicContact CE2-CB 3.87Å; F241-W260 AromaticContact CE2-CD2 3.84Å; F241-W260 HydrophobicContact CE2-CD2 3.84Å; F241-W260 AromaticContact CE2-CE3 3.91Å; F241-W260 HydrophobicContact CE2-CE3 3.91Å; F241-W260 AromaticContact CE2-CG 3.79Å; F241-W260 HydrophobicContact CE2-CG 3.79Å; F241-W260 HydrophobicContact CZ-CB 3.94Å; F241-W260 HydrophobicContact CZ-CG 4.36Å
242	T	90.3	Very high	90.6	Very high	64 Å²	64	72.7 Å²	72.7	39%	0.393	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.1	178.6	60.1	0	0	0	0	114.4	L234 I237 A239 L309	L234-T242 HydrophobicContact CD1-CG2 3.81Å; I237-T242 HydrophobicContact CB-CG2 4.36Å; I237-T242 HydrophobicContact CG2-CG2 3.97Å; A239-T242 WeakPolarHBondContact CA-OG1 3.4Å; A239-T242 PolarHBondContact O-OG1 3.47Å; T242-L309 HydrophobicContact CG2-CD2 3.9Å
243	R	89.5	Confident	90.5	Very high	212 Å²	212	71 Å²	71	80%	0.8	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-15.5	175.4	-76.9	171.6	-174	-153.3	0.5	114	A239 F241	A239-R243 VanDerWaalsContact O-CD 3.3Å; A239-R243 WeakPolarHBondContact O-CD 3.29Å; A239-R243 VanDerWaalsContact O-CG 3.22Å; A239-R243 WeakPolarHBondContact O-CG 3.47Å; A239-R243 PolarHBondContact O-NE 2.92Å; F241-R243 PolarHBondContact O-N 2.9Å
244	V	88.2	Confident	90.6	Very high	51 Å²	51	71 Å²	71	31%	0.309	35%	0.352	S	S	.	.	S	Bend	trans	-86.4	130.4	179.9	-178.8	0	0	0	0	108	F241 D248 V249 Y253	F241-V244 PolarHBondContact O-N 3.02Å; V244-D248 HydrophobicContact CG1-CB 3.88Å; V244-V249 HydrophobicContact CG1-CG2 4.24Å; V244-Y253 HydrophobicContact CB-CD2 4.16Å; V244-Y253 HydrophobicContact CB-CE2 3.63Å; V244-Y253 HydrophobicContact CG1-CD2 4.09Å; V244-Y253 HydrophobicContact CG1-CE2 3.99Å; V244-Y253 HydrophobicContact CG2-CD2 3.95Å; V244-Y253 HydrophobicContact CG2-CE2 3.6Å
245	L	86.4	Confident	90.7	Very high	112 Å²	112	68.7 Å²	68.7	59%	0.586	34%	0.343	S	S	*	.			trans	-69.1	146.5	175.5	-70.8	161.7	0	0	0	109.4	R247 D248	L245-R247 PolarHBondContact O-N 2.85Å; L245-D248 PolarHBondContact O-N 2.83Å
246	P	84.2	Confident	90.7	Very high	42 Å²	42	66.3 Å²	66.3	27%	0.273	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-52.4	-29	176.2	-30.9	37.4	0	0	0	114.4	D248 Q310 L311	P246-D248 VanDerWaalsContact C-N 3.29Å; P246-D248 PolarHBondContact O-N 2.99Å; P246-Q310 HydrophobicContact CG-CB 4.43Å; P246-L311 HydrophobicContact CB-CD2 3.87Å; P246-L311 HydrophobicContact CG-CD2 4.3Å
247	R	86	Confident	90.8	Very high	176 Å²	176	65.1 Å²	65.1	66%	0.664	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-69.4	-23	176.5	-51.1	-146.9	167.6	146.5	-0.4	114.6	L245 E537 Q538	L245-R247 PolarHBondContact O-N 2.85Å; R247-E537 VanDerWaalsContact CG-OE2 3.27Å; R247-E537 WeakPolarHBondContact CG-OE2 3.24Å; R247-E537 IonicContact NE-OE2 2.87Å; R247-Q538 WeakPolarHBondContact O-CG 3.38Å; R247-Q538 PolarHBondContact O-NE2 2.86Å
248	D	88.3	Confident	90.9	Very high	84 Å²	84	64.6 Å²	64.6	45%	0.449	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-100.8	9.5	-175.2	-60.4	-36	0	0	0	112.3	V244 L245 P246 D250	V244-D248 HydrophobicContact CG1-CB 3.88Å; L245-D248 PolarHBondContact O-N 2.83Å; P246-D248 VanDerWaalsContact C-N 3.29Å; P246-D248 PolarHBondContact O-N 2.99Å; D248-D250 PolarHBondContact O-N 3.02Å
249	V	88.8	Confident	91	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.018	33%	0.329	C	S	.	.			trans	-80.8	113.9	178	172.7	0	0	0	0	110.5	V244 Y253 L254 L311	V244-V249 HydrophobicContact CG1-CG2 4.24Å; V249-Y253 HydrophobicContact CB-CD1 4.35Å; V249-Y253 HydrophobicContact CG1-CD1 3.7Å; V249-Y253 HydrophobicContact CG1-CE1 4.23Å; V249-Y253 HydrophobicContact CG1-CG 4.36Å; V249-Y253 HydrophobicContact CG2-CD1 3.97Å; V249-Y253 HydrophobicContact CG2-CE1 3.93Å; V249-Y253 HydrophobicContact CG2-CG 4.4Å; V249-L254 HydrophobicContact CG1-CD1 4.41Å; V249-L254 HydrophobicContact CG1-CD2 3.95Å; V249-L254 HydrophobicContact CG1-CG 3.9Å; V249-L311 HydrophobicContact CB-CD2 4.49Å; V249-L311 HydrophobicContact CG1-CD1 4.39Å; V249-L311 HydrophobicContact CG2-CD1 4.43Å; V249-L311 HydrophobicContact CG2-CD2 3.79Å
250	D	89.7	Confident	91.2	Very high	55 Å²	55	67.8 Å²	67.8	29%	0.294	31%	0.312	S	S	.	.			trans	-107.3	176.5	174	72.6	-11.2	0	0	0	112	D248 Y252 Y253 L254	D248-D250 PolarHBondContact O-N 3.02Å; D250-Y252 PolarHBondContact O-N 2.79Å; D250-Y252 PolarHBondContact OD1-N 2.86Å; D250-Y252 WeakPolarHBondContact OD2-CB 3.5Å; D250-Y253 PolarHBondContact O-N 2.85Å; D250-Y253 VanDerWaalsContact OD1-CB 3.25Å; D250-Y253 WeakPolarHBondContact OD1-CB 3.39Å; D250-Y253 PolarHBondContact OD1-N 2.91Å; D250-L254 PolarHBondContact O-N 3.3Å
251	T	91.1	Very high	91.3	Very high	56 Å²	56	60.9 Å²	60.9	34%	0.344	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-26.8	176.8	52.5	0	0	0	0	113.2	S255 V543	T251-S255 WeakPolarHBondContact O-CB 3.39Å; T251-S255 PolarHBondContact O-N 2.91Å; T251-V543 HydrophobicContact CG2-CG1 4.14Å; T251-V543 HydrophobicContact CG2-CG2 4.01Å
252	Y	91.6	Very high	91.4	Very high	156 Å²	156	64 Å²	64	61%	0.612	30%	0.303	S	S	*	.	H	α-helix	trans	-74.3	-43	178.2	179.9	-105.5	0	0	0	112.3	D250 S255 N256	D250-Y252 PolarHBondContact O-N 2.79Å; D250-Y252 PolarHBondContact OD1-N 2.86Å; D250-Y252 WeakPolarHBondContact OD2-CB 3.5Å; Y252-S255 PolarHBondContact O-N 3.46Å; Y252-N256 WeakPolarHBondContact CE1-ND2 3.33Å; Y252-N256 PolarHBondContact O-N 3.44Å; Y252-N256 PolarHBondContact O-ND2 3.27Å
253	Y	93.1	Very high	91.5	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-55.5	-50.8	170.3	175.8	-82.9	0	0	0	110.3	F241 V244 V249 D250 S255 N256 L257	F241-Y253 HydrophobicContact CB-CE2 4.41Å; F241-Y253 HydrophobicContact CD1-CD2 4.44Å; F241-Y253 AromaticContact CD1-CE2 3.84Å; F241-Y253 HydrophobicContact CD1-CE2 3.84Å; F241-Y253 AromaticContact CD1-CZ 3.99Å; F241-Y253 PolarHBondContact O-OH 3.45Å; V244-Y253 HydrophobicContact CB-CD2 4.16Å; V244-Y253 HydrophobicContact CB-CE2 3.63Å; V244-Y253 HydrophobicContact CG1-CD2 4.09Å; V244-Y253 HydrophobicContact CG1-CE2 3.99Å; V244-Y253 HydrophobicContact CG2-CD2 3.95Å; V244-Y253 HydrophobicContact CG2-CE2 3.6Å; V249-Y253 HydrophobicContact CB-CD1 4.35Å; V249-Y253 HydrophobicContact CG1-CD1 3.7Å; V249-Y253 HydrophobicContact CG1-CE1 4.23Å; V249-Y253 HydrophobicContact CG1-CG 4.36Å; V249-Y253 HydrophobicContact CG2-CD1 3.97Å; V249-Y253 HydrophobicContact CG2-CE1 3.93Å; V249-Y253 HydrophobicContact CG2-CG 4.4Å; D250-Y253 PolarHBondContact O-N 2.85Å; D250-Y253 VanDerWaalsContact OD1-CB 3.25Å; D250-Y253 WeakPolarHBondContact OD1-CB 3.39Å; D250-Y253 PolarHBondContact OD1-N 2.91Å; Y253-S255 VanDerWaalsContact C-N 3.35Å; Y253-S255 PolarHBondContact O-N 2.92Å; Y253-N256 PolarHBondContact O-N 2.83Å; Y253-N256 VanDerWaalsContact O-N 3.12Å; Y253-L257 HydrophobicContact CE1-CD2 4.18Å; Y253-L257 WeakPolarHBondContact O-CB 3.39Å; Y253-L257 PolarHBondContact O-N 3.01Å
254	L	93.7	Very high	91.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-43.4	178.1	-68.8	176.5	0	0	0	111.7	V249 D250 N256 L257 V258 L306 L311 V534 V543 V545 V552	V249-L254 HydrophobicContact CG1-CD1 4.41Å; V249-L254 HydrophobicContact CG1-CD2 3.95Å; V249-L254 HydrophobicContact CG1-CG 3.9Å; D250-L254 PolarHBondContact O-N 3.3Å; L254-N256 VanDerWaalsContact C-N 3.31Å; L254-N256 PolarHBondContact O-N 2.8Å; L254-L257 PolarHBondContact O-N 3.46Å; L254-V258 WeakPolarHBondContact O-CB 3.24Å; L254-V258 VanDerWaalsContact O-CG2 3.29Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.65Å; L254-L306 HydrophobicContact CD2-CD2 4.23Å; L254-L311 HydrophobicContact CD2-CD1 4.46Å; L254-V534 HydrophobicContact CD1-CB 4.05Å; L254-V534 HydrophobicContact CD1-CG1 4.31Å; L254-V534 HydrophobicContact CD1-CG2 4.36Å; L254-V534 HydrophobicContact CD2-CB 4.43Å; L254-V534 HydrophobicContact CD2-CG1 4.26Å; L254-V534 HydrophobicContact CD2-CG2 4.13Å; L254-V543 HydrophobicContact CD1-CB 4.36Å; L254-V543 HydrophobicContact CD1-CG1 4.23Å; L254-V545 HydrophobicContact CD1-CG2 4.38Å; L254-V552 HydrophobicContact CB-CG1 3.95Å; L254-V552 HydrophobicContact CB-CG2 4.41Å
255	S	94.4	Very high	91.9	Very high	34 Å²	34	54 Å²	54	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-40.5	175.1	-173.9	0	0	0	0	112.4	T251 Y252 Y253 K259	T251-S255 WeakPolarHBondContact O-CB 3.39Å; T251-S255 PolarHBondContact O-N 2.91Å; Y252-S255 PolarHBondContact O-N 3.46Å; Y253-S255 VanDerWaalsContact C-N 3.35Å; Y253-S255 PolarHBondContact O-N 2.92Å; S255-K259 VanDerWaalsContact O-CG 3.24Å; S255-K259 WeakPolarHBondContact O-CG 3.46Å; S255-K259 PolarHBondContact O-N 2.68Å; S255-K259 VanDerWaalsContact OG-CE 3.26Å; S255-K259 WeakPolarHBondContact OG-CE 3.49Å; S255-K259 PolarHBondContact OG-NZ 3.08Å
256	N	94.4	Very high	92.2	Very high	46 Å²	46	52.4 Å²	52.4	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-75.8	-32.4	179.3	-67.8	-29.1	0	0	0	113.2	F241 Y252 Y253 L254 K259 W260	F241-N256 HydrophobicContact CE1-CB 4.48Å; Y252-N256 WeakPolarHBondContact CE1-ND2 3.33Å; Y252-N256 PolarHBondContact O-N 3.44Å; Y252-N256 PolarHBondContact O-ND2 3.27Å; Y253-N256 PolarHBondContact O-N 2.83Å; Y253-N256 VanDerWaalsContact O-N 3.12Å; L254-N256 VanDerWaalsContact C-N 3.31Å; L254-N256 PolarHBondContact O-N 2.8Å; N256-K259 PolarHBondContact OD1-NZ 3.38Å; N256-K259 VanDerWaalsContact OD1-NZ 3.08Å; N256-W260 PolarHBondContact O-N 3.18Å; N256-W260 VanDerWaalsContact O-N 3.07Å
257	L	94.9	Very high	92.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-45.3	172.1	-174	69.6	0	0	0	110.8	F241 Y253 L254 W260 F261 F302 L306 L309	F241-L257 HydrophobicContact CB-CD1 4.26Å; F241-L257 HydrophobicContact CD1-CB 4.45Å; F241-L257 HydrophobicContact CD1-CD1 3.89Å; F241-L257 HydrophobicContact CD2-CD1 3.74Å; F241-L257 HydrophobicContact CE1-CB 4.09Å; F241-L257 HydrophobicContact CE1-CD1 4.07Å; F241-L257 HydrophobicContact CE2-CD1 3.9Å; F241-L257 HydrophobicContact CG-CD1 3.73Å; F241-L257 HydrophobicContact CZ-CB 4.38Å; F241-L257 HydrophobicContact CZ-CD1 4.07Å; Y253-L257 HydrophobicContact CE1-CD2 4.18Å; Y253-L257 WeakPolarHBondContact O-CB 3.39Å; Y253-L257 PolarHBondContact O-N 3.01Å; L254-L257 PolarHBondContact O-N 3.46Å; L257-W260 HydrophobicContact CD1-CE3 3.81Å; L257-W260 HydrophobicContact CD1-CZ3 4.06Å; L257-W260 PolarHBondContact O-N 3.23Å; L257-F261 WeakPolarHBondContact O-CB 3.49Å; L257-F261 PolarHBondContact O-N 3.11Å; L257-F302 HydrophobicContact CD2-CE2 4.35Å; L257-F302 HydrophobicContact CD2-CZ 4.3Å; L257-F302 HydrophobicContact CG-CE2 4.2Å; L257-F302 HydrophobicContact CG-CZ 4.42Å; L257-L306 HydrophobicContact CD2-CD2 3.56Å; L257-L309 HydrophobicContact CD1-CD1 4.22Å; L257-L309 HydrophobicContact CD2-CD1 3.82Å
258	V	95.4	Very high	92.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-45	175.7	171.1	0	0	0	0	111.7	L254 W260 F261 I262 F302 V545 V552	L254-V258 WeakPolarHBondContact O-CB 3.24Å; L254-V258 VanDerWaalsContact O-CG2 3.29Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.65Å; V258-W260 VanDerWaalsContact C-N 3.32Å; V258-W260 PolarHBondContact O-N 3.05Å; V258-F261 PolarHBondContact O-N 2.92Å; V258-I262 HydrophobicContact CG1-CD1 3.66Å; V258-I262 HydrophobicContact CG1-CG1 4.38Å; V258-I262 WeakPolarHBondContact O-CG1 3.46Å; V258-I262 PolarHBondContact O-N 3.43Å; V258-F302 HydrophobicContact CG2-CE1 3.87Å; V258-F302 HydrophobicContact CG2-CE2 4.37Å; V258-F302 HydrophobicContact CG2-CZ 3.51Å; V258-V545 HydrophobicContact CG2-CG1 3.48Å; V258-V545 VanDerWaalsContact CG2-CG1 3.48Å; V258-V552 HydrophobicContact CB-CG2 4.44Å; V258-V552 HydrophobicContact CG2-CG2 3.92Å
259	K	94.8	Very high	92.6	Very high	120 Å²	120	48.6 Å²	48.6	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-42.8	175	-73.2	166.5	-157.6	156.5	0	112.3	S255 N256 G263	S255-K259 VanDerWaalsContact O-CG 3.24Å; S255-K259 WeakPolarHBondContact O-CG 3.46Å; S255-K259 PolarHBondContact O-N 2.68Å; S255-K259 VanDerWaalsContact OG-CE 3.26Å; S255-K259 WeakPolarHBondContact OG-CE 3.49Å; S255-K259 PolarHBondContact OG-NZ 3.08Å; N256-K259 PolarHBondContact OD1-NZ 3.38Å; N256-K259 VanDerWaalsContact OD1-NZ 3.08Å; K259-G263 PolarHBondContact O-N 2.97Å; K259-G263 VanDerWaalsContact O-N 3.14Å
260	W	95.5	Very high	92.4	Very high	37 Å²	37	56.9 Å²	56.9	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-45	175.5	163.2	66.4	0	0	0	111.5	I236 I237 P238 F241 N256 L257 V258 G263 T264 I305	I236-W260 HydrophobicContact CG2-CH2 4.24Å; I236-W260 HydrophobicContact CG2-CZ2 4.27Å; I237-W260 HydrophobicContact CG1-CH2 4.18Å; I237-W260 HydrophobicContact CG1-CZ3 4.4Å; P238-W260 HydrophobicContact CG-CD2 4.13Å; P238-W260 HydrophobicContact CG-CG 4.43Å; P238-W260 HydrophobicContact CG-CZ2 3.94Å; F241-W260 HydrophobicContact CD2-CE3 4.39Å; F241-W260 HydrophobicContact CE2-CB 3.87Å; F241-W260 AromaticContact CE2-CD2 3.84Å; F241-W260 HydrophobicContact CE2-CD2 3.84Å; F241-W260 AromaticContact CE2-CE3 3.91Å; F241-W260 HydrophobicContact CE2-CE3 3.91Å; F241-W260 AromaticContact CE2-CG 3.79Å; F241-W260 HydrophobicContact CE2-CG 3.79Å; F241-W260 HydrophobicContact CZ-CB 3.94Å; F241-W260 HydrophobicContact CZ-CG 4.36Å; N256-W260 PolarHBondContact O-N 3.18Å; N256-W260 VanDerWaalsContact O-N 3.07Å; L257-W260 HydrophobicContact CD1-CE3 3.81Å; L257-W260 HydrophobicContact CD1-CZ3 4.06Å; L257-W260 PolarHBondContact O-N 3.23Å; V258-W260 VanDerWaalsContact C-N 3.32Å; V258-W260 PolarHBondContact O-N 3.05Å; W260-G263 CarbonylContact O-C 3.56Å; W260-G263 PolarHBondContact O-N 3.35Å; W260-T264 HydrophobicContact CZ2-CG2 4.14Å; W260-T264 PolarHBondContact NE1-OG1 3.49Å; W260-T264 WeakPolarHBondContact O-CB 3.28Å; W260-T264 PolarHBondContact O-N 3.17Å; W260-T264 VanDerWaalsContact O-N 3.08Å; W260-T264 PolarHBondContact O-OG1 3.04Å; W260-I305 HydrophobicContact CH2-CD1 4.26Å; W260-I305 HydrophobicContact CZ3-CD1 4.27Å; W260-I305 HydrophobicContact CZ3-CG2 4.3Å
261	F	95.3	Very high	92.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-49.1	-179.9	175.2	-103.5	0	0	0	112.1	L257 V258 G263 T264 F265 L298 I301 F302 I305 C547	L257-F261 WeakPolarHBondContact O-CB 3.49Å; L257-F261 PolarHBondContact O-N 3.11Å; V258-F261 PolarHBondContact O-N 2.92Å; F261-G263 VanDerWaalsContact C-N 3.26Å; F261-G263 PolarHBondContact O-N 3.37Å; F261-T264 PolarHBondContact O-N 3.48Å; F261-F265 AromaticContact CD2-CD2 3.35Å; F261-F265 HydrophobicContact CD2-CD2 3.35Å; F261-F265 AromaticContact CD2-CE2 3.81Å; F261-F265 HydrophobicContact CD2-CE2 3.81Å; F261-F265 HydrophobicContact CD2-CG 4.15Å; F261-F265 HydrophobicContact CE2-CB 4.02Å; F261-F265 HydrophobicContact CE2-CD1 4.41Å; F261-F265 AromaticContact CE2-CD2 3.23Å; F261-F265 HydrophobicContact CE2-CD2 3.23Å; F261-F265 AromaticContact CE2-CE2 3.72Å; F261-F265 HydrophobicContact CE2-CE2 3.72Å; F261-F265 AromaticContact CE2-CG 3.63Å; F261-F265 HydrophobicContact CE2-CG 3.63Å; F261-F265 HydrophobicContact CE2-CZ 4.48Å; F261-F265 HydrophobicContact CG-CD2 4.35Å; F261-F265 HydrophobicContact CZ-CB 4.12Å; F261-F265 HydrophobicContact CZ-CD2 4.17Å; F261-F265 HydrophobicContact CZ-CG 4.17Å; F261-F265 PolarHBondContact O-N 2.99Å; F261-L298 HydrophobicContact CE1-CD1 3.74Å; F261-L298 HydrophobicContact CE1-CD2 4.33Å; F261-L298 HydrophobicContact CE1-CG 3.78Å; F261-L298 HydrophobicContact CZ-CD1 3.57Å; F261-L298 HydrophobicContact CZ-CG 3.91Å; F261-I301 HydrophobicContact CE2-CB 4.5Å; F261-I301 HydrophobicContact CE2-CG2 3.82Å; F261-I301 HydrophobicContact CZ-CB 4.45Å; F261-I301 HydrophobicContact CZ-CG2 4.22Å; F261-F302 HydrophobicContact CB-CD2 3.85Å; F261-F302 HydrophobicContact CB-CE2 3.82Å; F261-F302 HydrophobicContact CD1-CB 4.21Å; F261-F302 AromaticContact CD1-CD2 3.59Å; F261-F302 HydrophobicContact CD1-CD2 3.59Å; F261-F302 HydrophobicContact CD1-CE2 4.24Å; F261-F302 HydrophobicContact CD1-CG 4.01Å; F261-F302 HydrophobicContact CD2-CB 4.49Å; F261-F302 AromaticContact CD2-CD2 3.61Å; F261-F302 HydrophobicContact CD2-CD2 3.61Å; F261-F302 HydrophobicContact CD2-CE2 4.39Å; F261-F302 HydrophobicContact CD2-CG 4.47Å; F261-F302 HydrophobicContact CE1-CB 3.73Å; F261-F302 HydrophobicContact CE1-CD2 4Å; F261-F302 HydrophobicContact CE1-CG 4.04Å; F261-F302 HydrophobicContact CE2-CB 4.04Å; F261-F302 HydrophobicContact CE2-CD2 4.03Å; F261-F302 HydrophobicContact CE2-CG 4.5Å; F261-F302 AromaticContact CG-CD2 3.37Å; F261-F302 HydrophobicContact CG-CD2 3.37Å; F261-F302 AromaticContact CG-CE2 3.89Å; F261-F302 HydrophobicContact CG-CE2 3.89Å; F261-F302 HydrophobicContact CG-CG 4.23Å; F261-F302 HydrophobicContact CZ-CB 3.64Å; F261-F302 HydrophobicContact CZ-CD2 4.21Å; F261-F302 HydrophobicContact CZ-CG 4.29Å; F261-I305 HydrophobicContact CD2-CD1 3.58Å; F261-I305 HydrophobicContact CE2-CD1 3.73Å; F261-C547 HydrophobicContact CD1-CB 4Å; F261-C547 HydrophobicContact CE1-CB 3.97Å
262	I	93.5	Very high	91.3	Very high	75 Å²	75	57.3 Å²	57.3	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-32.2	177	-66.6	169.7	0	0	0	111.9	V258 T264 C547	V258-I262 HydrophobicContact CG1-CD1 3.66Å; V258-I262 HydrophobicContact CG1-CG1 4.38Å; V258-I262 WeakPolarHBondContact O-CG1 3.46Å; V258-I262 PolarHBondContact O-N 3.43Å; I262-T264 VanDerWaalsContact C-N 3.27Å; I262-T264 PolarHBondContact O-N 2.98Å; I262-C547 VanDerWaalsContact CD1-O 3.32Å; I262-C547 WeakPolarHBondContact CD1-O 3.21Å; I262-C547 VanDerWaalsContact CG1-O 3.26Å; I262-C547 WeakPolarHBondContact CG1-O 3.43Å
263	G	92.5	Very high	90.3	Very high	69 Å²	69	53 Å²	53	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.4	172.9	0	0	0	0	0	114.8	K259 W260 F261	K259-G263 PolarHBondContact O-N 2.97Å; K259-G263 VanDerWaalsContact O-N 3.14Å; W260-G263 CarbonylContact O-C 3.56Å; W260-G263 PolarHBondContact O-N 3.35Å; F261-G263 VanDerWaalsContact C-N 3.26Å; F261-G263 PolarHBondContact O-N 3.37Å
264	T	93.1	Very high	89	Confident	40 Å²	40	54.2 Å²	54.2	25%	0.245	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-40.3	-174.1	-56.7	0	0	0	0	112.3	W260 F261 I262 Y290	W260-T264 HydrophobicContact CZ2-CG2 4.14Å; W260-T264 PolarHBondContact NE1-OG1 3.49Å; W260-T264 WeakPolarHBondContact O-CB 3.28Å; W260-T264 PolarHBondContact O-N 3.17Å; W260-T264 VanDerWaalsContact O-N 3.08Å; W260-T264 PolarHBondContact O-OG1 3.04Å; F261-T264 PolarHBondContact O-N 3.48Å; I262-T264 VanDerWaalsContact C-N 3.27Å; I262-T264 PolarHBondContact O-N 2.98Å; T264-Y290 HydrophobicContact CG2-CD1 3.85Å; T264-Y290 HydrophobicContact CG2-CE1 4.24Å
265	F	94.1	Very high	87.6	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.035	37%	0.374	C	S	.	.			trans	-103.1	138.8	-179.6	-72.1	-93.9	0	0	0	111.3	I236 F261 F287 Y290 L298 I301 I305	I236-F265 HydrophobicContact CG2-CE2 4.35Å; I236-F265 HydrophobicContact CG2-CZ 4.25Å; F261-F265 AromaticContact CD2-CD2 3.35Å; F261-F265 HydrophobicContact CD2-CD2 3.35Å; F261-F265 AromaticContact CD2-CE2 3.81Å; F261-F265 HydrophobicContact CD2-CE2 3.81Å; F261-F265 HydrophobicContact CD2-CG 4.15Å; F261-F265 HydrophobicContact CE2-CB 4.02Å; F261-F265 HydrophobicContact CE2-CD1 4.41Å; F261-F265 AromaticContact CE2-CD2 3.23Å; F261-F265 HydrophobicContact CE2-CD2 3.23Å; F261-F265 AromaticContact CE2-CE2 3.72Å; F261-F265 HydrophobicContact CE2-CE2 3.72Å; F261-F265 AromaticContact CE2-CG 3.63Å; F261-F265 HydrophobicContact CE2-CG 3.63Å; F261-F265 HydrophobicContact CE2-CZ 4.48Å; F261-F265 HydrophobicContact CG-CD2 4.35Å; F261-F265 HydrophobicContact CZ-CB 4.12Å; F261-F265 HydrophobicContact CZ-CD2 4.17Å; F261-F265 HydrophobicContact CZ-CG 4.17Å; F261-F265 PolarHBondContact O-N 2.99Å; F265-F287 HydrophobicContact CE1-CD1 4.2Å; F265-F287 HydrophobicContact CZ-CD1 4.02Å; F265-F287 HydrophobicContact CZ-CE1 4.22Å; F265-Y290 WeakPolarHBondContact CA-O 3.38Å; F265-Y290 HydrophobicContact CE1-CD1 4.15Å; F265-Y290 HydrophobicContact CE2-CD1 4.36Å; F265-Y290 AromaticContact CZ-CD1 3.98Å; F265-Y290 HydrophobicContact CZ-CD1 3.98Å; F265-L298 HydrophobicContact CB-CD1 3.82Å; F265-I301 HydrophobicContact CD1-CD1 4.41Å; F265-I301 HydrophobicContact CD1-CG2 3.9Å; F265-I301 HydrophobicContact CE1-CG2 3.56Å; F265-I301 HydrophobicContact CE2-CG2 4.35Å; F265-I301 HydrophobicContact CG-CG2 4.42Å; F265-I301 HydrophobicContact CZ-CG2 3.8Å; F265-I305 HydrophobicContact CE2-CD1 3.88Å; F265-I305 HydrophobicContact CZ-CD1 4.32Å
266	T	91.9	Very high	86.3	Confident	79 Å²	79	69.5 Å²	69.5	49%	0.485	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.3	-178.1	47.8	0	0	0	0	111	Y290 S291 A292	T266-Y290 PolarHBondContact N-O 2.75Å; T266-Y290 VanDerWaalsContact N-O 3.08Å; T266-Y290 PolarHBondContact OG1-O 2.79Å; T266-S291 CarbonylContact O-C 3.58Å; T266-S291 WeakPolarHBondContact O-CA 3.33Å; T266-S291 PolarHBondContact OG1-OG 3.26Å; T266-A292 PolarHBondContact O-N 2.78Å
267	V	90.6	Very high	85.4	Confident	72 Å²	72	69.3 Å²	69.3	44%	0.436	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.8	171.2	-176.2	0	0	0	0	108.8	A292 L298	V267-A292 CarbonylContact C-O 3.59Å; V267-A292 WeakPolarHBondContact CA-O 3.47Å; V267-L298 HydrophobicContact CG2-CB 4.46Å; V267-L298 HydrophobicContact CG2-CD1 4.43Å; V267-L298 HydrophobicContact CG2-CD2 3.87Å; V267-L298 HydrophobicContact CG2-CG 4.48Å
268	N	89	Confident	84.9	Confident	64 Å²	64	74.5 Å²	74.5	34%	0.342	43%	0.426	S	S	.	.			trans	-130.7	103.5	177.3	-176.9	-1.7	0	0	0	110.5	E270 L271 A292 R293	N268-E270 PolarHBondContact O-N 3.33Å; N268-E270 VanDerWaalsContact O-N 3.17Å; N268-E270 WeakPolarHBondContact OD1-CB 3.35Å; N268-E270 PolarHBondContact OD1-N 2.97Å; N268-L271 HydrophobicContact CB-CD1 4.17Å; N268-L271 HydrophobicContact CB-CG 4.14Å; N268-L271 WeakPolarHBondContact O-CB 3.35Å; N268-L271 WeakPolarHBondContact O-CG 3.27Å; N268-L271 PolarHBondContact O-N 2.74Å; N268-A292 PolarHBondContact N-O 3.23Å; N268-R293 CarbonylContact C-O 3.56Å; N268-R293 WeakPolarHBondContact O-CA 3.35Å
269	A	87.2	Confident	84.6	Confident	87 Å²	87	76.2 Å²	76.2	72%	0.719	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.5	-178.8	0	0	0	0	0	114.4	L271 R293	A269-L271 PolarHBondContact O-N 2.85Å; A269-R293 WeakPolarHBondContact CA-O 3.12Å
270	E	84.1	Confident	84.3	Confident	177 Å²	177	73.1 Å²	73.1	83%	0.827	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.8	177.3	-57.3	-176.4	166	0	0	112.9	N268 S272	N268-E270 PolarHBondContact O-N 3.33Å; N268-E270 VanDerWaalsContact O-N 3.17Å; N268-E270 WeakPolarHBondContact OD1-CB 3.35Å; N268-E270 PolarHBondContact OD1-N 2.97Å; E270-S272 PolarHBondContact O-N 2.86Å
271	L	83.6	Confident	84	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.147	43%	0.429	C	S	.	.	S	Bend	trans	-64.8	120.3	178.5	-71.9	173.3	0	0	0	111.6	N268 A269 A273 R293	N268-L271 HydrophobicContact CB-CD1 4.17Å; N268-L271 HydrophobicContact CB-CG 4.14Å; N268-L271 WeakPolarHBondContact O-CB 3.35Å; N268-L271 WeakPolarHBondContact O-CG 3.27Å; N268-L271 PolarHBondContact O-N 2.74Å; A269-L271 PolarHBondContact O-N 2.85Å; L271-A273 PolarHBondContact O-N 3.12Å; L271-R293 HydrophobicContact CB-CB 4.21Å; L271-R293 HydrophobicContact CB-CG 4.33Å
272	S	75.2	Confident	83.8	Confident	92 Å²	92	74.4 Å²	74.4	64%	0.643	44%	0.435	S	S	*	.			trans	-55	127	-175.1	61.4	0	0	0	0	112.7	E270 S274	E270-S272 PolarHBondContact O-N 2.86Å; S272-S274 PolarHBondContact O-N 2.61Å
273	A	69	Low	83.8	Confident	64 Å²	64	70.8 Å²	70.8	53%	0.529	42%	0.416	S	S	.	.			trans	-88.7	92.3	164.9	0	0	0	0	0	108.7	L271	L271-A273 PolarHBondContact O-N 3.12Å
274	S	66.4	Low	83.7	Confident	46 Å²	46	70.4 Å²	70.4	32%	0.322	40%	0.396	S	S	.	.			trans	-77.7	127.5	170.1	119	0	0	0	0	108.5	S272 Q276 D277	S272-S274 PolarHBondContact O-N 2.61Å; S274-Q276 PolarHBondContact O-N 3.23Å; S274-D277 VanDerWaalsContact CB-OD2 3.27Å; S274-D277 WeakPolarHBondContact CB-OD2 3.34Å; S274-D277 WeakPolarHBondContact OG-CB 3.26Å; S274-D277 PolarHBondContact OG-N 3.09Å; S274-D277 VanDerWaalsContact OG-N 3.17Å; S274-D277 PolarHBondContact OG-OD2 3.33Å
275	E	64.5	Low	83.6	Confident	189 Å²	189	74.4 Å²	74.4	88%	0.883	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	-178.9	-63.7	-174.6	155.8	0	0	112.5
276	Q	67.2	Low	83.5	Confident	165 Å²	165	74.6 Å²	74.6	77%	0.771	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-20.2	178.1	-75.2	79.6	24.6	0	0	114.1	S274	S274-Q276 PolarHBondContact O-N 3.23Å
277	D	75.2	Confident	83.4	Confident	43 Å²	43	71 Å²	71	23%	0.23	39%	0.385	C	S	.	.	S	Bend	trans	-76.6	127.3	-178.6	-72.8	-50.8	0	0	0	111.6	S274 R285	S274-D277 VanDerWaalsContact CB-OD2 3.27Å; S274-D277 WeakPolarHBondContact CB-OD2 3.34Å; S274-D277 WeakPolarHBondContact OG-CB 3.26Å; S274-D277 PolarHBondContact OG-N 3.09Å; S274-D277 VanDerWaalsContact OG-N 3.17Å; S274-D277 PolarHBondContact OG-OD2 3.33Å; D277-R285 VanDerWaalsContact CG-NH1 3.28Å; D277-R285 IonicContact OD1-CZ 3.39Å; D277-R285 IonicContact OD1-NH1 3.35Å; D277-R285 PolarHBondContact OD1-NH1 3.23Å; D277-R285 IonicContact OD1-NH2 2.7Å; D277-R285 PolarHBondContact OD1-NH2 2.78Å; D277-R285 IonicContact OD2-CZ 3.52Å; D277-R285 IonicContact OD2-NH1 2.69Å; D277-R285 PolarHBondContact OD2-NH1 2.75Å; D277-R285 IonicContact OD2-NH2 3.6Å
278	N	85.8	Confident	83.4	Confident	108 Å²	108	71.3 Å²	71.3	58%	0.578	40%	0.395	S	S	*	.			trans	-65.3	149.5	170.8	-71.4	-40.8	0	0	0	110	Q280 T281 T282	N278-Q280 PolarHBondContact O-N 3.06Å; N278-Q280 VanDerWaalsContact O-N 3.09Å; N278-T281 PolarHBondContact N-OG1 2.95Å; N278-T281 VanDerWaalsContact N-OG1 3.14Å; N278-T281 PolarHBondContact O-N 2.83Å; N278-T281 PolarHBondContact O-OG1 3.21Å; N278-T282 PolarHBondContact O-N 2.85Å; N278-T282 PolarHBondContact O-OG1 3.13Å
279	L	87.2	Confident	83.5	Confident	37 Å²	37	72.7 Å²	72.7	19%	0.194	40%	0.402	C	S	.	.	H	α-helix	trans	-54.1	-36	-178.6	177.6	63.6	0	0	0	112.7	R220 I223 T282 L283	R220-L279 HydrophobicContact CG-CD2 4.42Å; I223-L279 HydrophobicContact CB-CD2 4.44Å; I223-L279 HydrophobicContact CD1-CB 3.86Å; I223-L279 HydrophobicContact CD1-CD2 4.16Å; I223-L279 HydrophobicContact CD1-CG 4.39Å; I223-L279 HydrophobicContact CG2-CB 4.49Å; I223-L279 HydrophobicContact CG2-CD2 4.27Å; I223-L279 HydrophobicContact CG2-CG 4.18Å; L279-T282 PolarHBondContact O-N 2.81Å; L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 3.97Å; L279-L283 HydrophobicContact CG-CG 4.47Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.5Å
280	Q	89.9	Confident	83.8	Confident	56 Å²	56	73.4 Å²	73.4	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-56.6	-56.5	172.2	172.4	173.6	-6.9	0	0	112.1	I223 L229 N278 T282 L283 E284	I223-Q280 HydrophobicContact CG2-CB 4.18Å; L229-Q280 HydrophobicContact CD1-CG 4.24Å; L229-Q280 HydrophobicContact CG-CG 4.45Å; N278-Q280 PolarHBondContact O-N 3.06Å; N278-Q280 VanDerWaalsContact O-N 3.09Å; Q280-T282 PolarHBondContact O-N 3.15Å; Q280-L283 PolarHBondContact O-N 3.44Å; Q280-L283 VanDerWaalsContact O-N 3.09Å; Q280-E284 HydrophobicContact CG-CG 4.45Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.48Å; Q280-E284 PolarHBondContact NE2-OE1 2.9Å; Q280-E284 WeakPolarHBondContact O-CG 3.42Å; Q280-E284 PolarHBondContact O-N 3.2Å
281	T	89.1	Confident	84.2	Confident	43 Å²	43	65.7 Å²	65.7	26%	0.264	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-29.2	-179.2	42.7	0	0	0	0	112.8	N278 R285	N278-T281 PolarHBondContact N-OG1 2.95Å; N278-T281 VanDerWaalsContact N-OG1 3.14Å; N278-T281 PolarHBondContact O-N 2.83Å; N278-T281 PolarHBondContact O-OG1 3.21Å; T281-R285 WeakPolarHBondContact O-CG 3.36Å; T281-R285 PolarHBondContact O-N 3.38Å
282	T	91.2	Very high	84.6	Confident	20 Å²	20	64.3 Å²	64.3	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-48.2	172.1	-57.6	0	0	0	0	111	N278 L279 Q280 R285 R286 E297	N278-T282 PolarHBondContact O-N 2.85Å; N278-T282 PolarHBondContact O-OG1 3.13Å; L279-T282 PolarHBondContact O-N 2.81Å; Q280-T282 PolarHBondContact O-N 3.15Å; T282-R285 PolarHBondContact O-N 3.31Å; T282-R286 WeakPolarHBondContact O-CG 3.39Å; T282-R286 PolarHBondContact O-N 3.46Å; T282-E297 WeakPolarHBondContact CG2-OE1 3.38Å
283	L	92.1	Very high	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-42	179	-69.5	168.1	0	0	0	112.2	I223 L229 L279 Q280 R285 R286 F287 H300 I301 L304	I223-L283 HydrophobicContact CG2-CD1 4.21Å; L229-L283 HydrophobicContact CD1-CD1 4.41Å; L229-L283 HydrophobicContact CD2-CB 4.05Å; L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 3.97Å; L279-L283 HydrophobicContact CG-CG 4.47Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.5Å; Q280-L283 PolarHBondContact O-N 3.44Å; Q280-L283 VanDerWaalsContact O-N 3.09Å; L283-R285 VanDerWaalsContact C-N 3.31Å; L283-R285 PolarHBondContact O-N 2.75Å; L283-R286 PolarHBondContact O-N 2.78Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; L283-F287 PolarHBondContact O-N 2.77Å; L283-H300 HydrophobicContact CD1-CB 4.41Å; L283-H300 HydrophobicContact CD2-CB 3.96Å; L283-I301 HydrophobicContact CD2-CG1 3.92Å; L283-L304 HydrophobicContact CD1-CD1 4.09Å
284	E	91.8	Very high	86.4	Confident	61 Å²	61	62.9 Å²	62.9	29%	0.285	31%	0.314	S	S	.	.	H	α-helix	trans	-53.7	-46.5	173	-71.4	167	-175.7	0	0	111.6	L229 I232 Q280 F287 A288	L229-E284 HydrophobicContact CD2-CG 3.66Å; I232-E284 HydrophobicContact CD1-CG 3.98Å; Q280-E284 HydrophobicContact CG-CG 4.45Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.48Å; Q280-E284 PolarHBondContact NE2-OE1 2.9Å; Q280-E284 WeakPolarHBondContact O-CG 3.42Å; Q280-E284 PolarHBondContact O-N 3.2Å; E284-F287 PolarHBondContact O-N 3.09Å; E284-A288 PolarHBondContact O-N 3.37Å
285	R	90.2	Very high	87.6	Confident	124 Å²	124	63.3 Å²	63.3	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-68.2	-33.6	175.8	-67.7	179.8	-162.4	156.2	16.2	113	D277 T281 T282 L283 A288 I289	D277-R285 VanDerWaalsContact CG-NH1 3.28Å; D277-R285 IonicContact OD1-CZ 3.39Å; D277-R285 IonicContact OD1-NH1 3.35Å; D277-R285 PolarHBondContact OD1-NH1 3.23Å; D277-R285 IonicContact OD1-NH2 2.7Å; D277-R285 PolarHBondContact OD1-NH2 2.78Å; D277-R285 IonicContact OD2-CZ 3.52Å; D277-R285 IonicContact OD2-NH1 2.69Å; D277-R285 PolarHBondContact OD2-NH1 2.75Å; D277-R285 IonicContact OD2-NH2 3.6Å; T281-R285 WeakPolarHBondContact O-CG 3.36Å; T281-R285 PolarHBondContact O-N 3.38Å; T282-R285 PolarHBondContact O-N 3.31Å; L283-R285 VanDerWaalsContact C-N 3.31Å; L283-R285 PolarHBondContact O-N 2.75Å; R285-A288 PolarHBondContact O-N 3.19Å; R285-I289 WeakPolarHBondContact O-CG1 3.48Å; R285-I289 PolarHBondContact O-N 3.13Å
286	R	91.3	Very high	88.9	Confident	12 Å²	12	58.5 Å²	58.5	5%	0.045	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-40.4	176.3	-64.7	-27.6	-173.7	-155.7	-8.4	112.2	T282 L283 A288 I289 Y290 S291 E297 I301	T282-R286 WeakPolarHBondContact O-CG 3.39Å; T282-R286 PolarHBondContact O-N 3.46Å; L283-R286 PolarHBondContact O-N 2.78Å; R286-A288 VanDerWaalsContact C-N 3.31Å; R286-A288 PolarHBondContact O-N 3.04Å; R286-I289 PolarHBondContact O-N 3.05Å; R286-Y290 PolarHBondContact O-N 3.31Å; R286-S291 VanDerWaalsContact CB-O 3.3Å; R286-S291 WeakPolarHBondContact CB-O 3.31Å; R286-S291 VanDerWaalsContact CD-O 3.32Å; R286-S291 WeakPolarHBondContact CD-O 3.19Å; R286-S291 WeakPolarHBondContact CG-O 3.1Å; R286-S291 PolarHBondContact O-N 2.66Å; R286-E297 WeakPolarHBondContact CG-OE2 3.41Å; R286-E297 IonicContact CZ-OE1 3.29Å; R286-E297 IonicContact CZ-OE2 3.75Å; R286-E297 IonicContact NE-OE1 2.71Å; R286-E297 IonicContact NE-OE2 3.03Å; R286-E297 PolarHBondContact NE-OE2 3.45Å; R286-E297 IonicContact NH2-OE1 3.03Å; R286-E297 PolarHBondContact NH2-OE1 3.39Å; R286-E297 IonicContact NH2-OE2 3.47Å; R286-E297 PolarHBondContact NH2-OE2 3.04Å; R286-I301 HydrophobicContact CB-CD1 3.71Å; R286-I301 HydrophobicContact CG-CD1 4.37Å
287	F	91	Very high	90	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-39.6	173.3	-80.7	-68.8	0	0	0	112.6	L229 I232 I236 F265 L283 E284 I289 I301 L304 I305	L229-F287 HydrophobicContact CD2-CE2 4.48Å; I232-F287 HydrophobicContact CG2-CB 3.53Å; I232-F287 HydrophobicContact CG2-CD1 4.27Å; I232-F287 HydrophobicContact CG2-CD2 3.95Å; I232-F287 HydrophobicContact CG2-CG 3.67Å; I236-F287 HydrophobicContact CD1-CB 4Å; I236-F287 HydrophobicContact CD1-CD1 3.56Å; I236-F287 HydrophobicContact CD1-CE1 4.46Å; I236-F287 HydrophobicContact CD1-CG 4.19Å; F265-F287 HydrophobicContact CE1-CD1 4.2Å; F265-F287 HydrophobicContact CZ-CD1 4.02Å; F265-F287 HydrophobicContact CZ-CE1 4.22Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; L283-F287 PolarHBondContact O-N 2.77Å; E284-F287 PolarHBondContact O-N 3.09Å; F287-I289 VanDerWaalsContact C-N 3.26Å; F287-I289 PolarHBondContact O-N 2.93Å; F287-I301 HydrophobicContact CD1-CG2 4.17Å; F287-I301 HydrophobicContact CE1-CG2 3.53Å; F287-I301 HydrophobicContact CZ-CB 4.3Å; F287-I301 HydrophobicContact CZ-CG1 4.49Å; F287-I301 HydrophobicContact CZ-CG2 3.74Å; F287-L304 HydrophobicContact CE2-CB 4.34Å; F287-L304 HydrophobicContact CE2-CD1 3.69Å; F287-L304 HydrophobicContact CZ-CB 3.85Å; F287-L304 HydrophobicContact CZ-CD1 4.03Å; F287-I305 HydrophobicContact CE1-CG1 4.44Å
288	A	90.4	Very high	90.9	Very high	79 Å²	79	49.5 Å²	49.5	65%	0.653	25%	0.248	S	C	*	.	H	α-helix	trans	-66.4	-24.8	178.3	0	0	0	0	0	114.1	E284 R285 R286	E284-A288 PolarHBondContact O-N 3.37Å; R285-A288 PolarHBondContact O-N 3.19Å; R286-A288 VanDerWaalsContact C-N 3.31Å; R286-A288 PolarHBondContact O-N 3.04Å
289	I	91.9	Very high	91.4	Very high	94 Å²	94	44.4 Å²	44.4	48%	0.482	22%	0.221	S	C	.	.	H	α-helix	trans	-102.7	-16.2	-176.4	-60.6	169.2	0	0	0	112	R285 R286 F287 S291	R285-I289 WeakPolarHBondContact O-CG1 3.48Å; R285-I289 PolarHBondContact O-N 3.13Å; R286-I289 PolarHBondContact O-N 3.05Å; F287-I289 VanDerWaalsContact C-N 3.26Å; F287-I289 PolarHBondContact O-N 2.93Å; I289-S291 PolarHBondContact O-N 3.46Å
290	Y	92.5	Very high	91.7	Very high	101 Å²	101	42.9 Å²	42.9	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	31.7	-170.2	-58.9	-94.8	0	0	0	113.5	I236 T264 F265 T266 R286	I236-Y290 HydrophobicContact CD1-CE1 4.15Å; I236-Y290 HydrophobicContact CG1-CE1 4.12Å; I236-Y290 HydrophobicContact CG2-CE1 3.68Å; T264-Y290 HydrophobicContact CG2-CD1 3.85Å; T264-Y290 HydrophobicContact CG2-CE1 4.24Å; F265-Y290 WeakPolarHBondContact CA-O 3.38Å; F265-Y290 HydrophobicContact CE1-CD1 4.15Å; F265-Y290 HydrophobicContact CE2-CD1 4.36Å; F265-Y290 AromaticContact CZ-CD1 3.98Å; F265-Y290 HydrophobicContact CZ-CD1 3.98Å; T266-Y290 PolarHBondContact N-O 2.75Å; T266-Y290 VanDerWaalsContact N-O 3.08Å; T266-Y290 PolarHBondContact OG1-O 2.79Å; R286-Y290 PolarHBondContact O-N 3.31Å
291	S	92.9	Very high	92	Very high	15 Å²	15	40.2 Å²	40.2	11%	0.105	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.7	177	-57.8	0	0	0	0	112.3	T266 R286 I289	T266-S291 CarbonylContact O-C 3.58Å; T266-S291 WeakPolarHBondContact O-CA 3.33Å; T266-S291 PolarHBondContact OG1-OG 3.26Å; R286-S291 VanDerWaalsContact CB-O 3.3Å; R286-S291 WeakPolarHBondContact CB-O 3.31Å; R286-S291 VanDerWaalsContact CD-O 3.32Å; R286-S291 WeakPolarHBondContact CD-O 3.19Å; R286-S291 WeakPolarHBondContact CG-O 3.1Å; R286-S291 PolarHBondContact O-N 2.66Å; I289-S291 PolarHBondContact O-N 3.46Å
292	A	92.3	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.6	170.8	0	0	0	0	0	110.2	T266 V267 N268 E297 L298 I301	T266-A292 PolarHBondContact O-N 2.78Å; V267-A292 CarbonylContact C-O 3.59Å; V267-A292 WeakPolarHBondContact CA-O 3.47Å; N268-A292 PolarHBondContact N-O 3.23Å; A292-E297 HydrophobicContact CB-CB 3.92Å; A292-L298 HydrophobicContact CB-CB 3.88Å; A292-L298 HydrophobicContact CB-CD1 4.05Å; A292-I301 HydrophobicContact CB-CD1 4Å
293	R	90.7	Very high	92.5	Very high	85 Å²	85	37.2 Å²	37.2	32%	0.321	18%	0.182	S	C	.	.	S	Bend	trans	-69.4	-42.5	174.6	-174	-171.3	71.1	-162.2	1.5	112.1	N268 A269 L271 E297	N268-R293 CarbonylContact C-O 3.56Å; N268-R293 WeakPolarHBondContact O-CA 3.35Å; A269-R293 WeakPolarHBondContact CA-O 3.12Å; L271-R293 HydrophobicContact CB-CB 4.21Å; L271-R293 HydrophobicContact CB-CG 4.33Å; R293-E297 VanDerWaalsContact CB-CD 3.5Å; R293-E297 WeakPolarHBondContact CB-OE1 3.5Å; R293-E297 VanDerWaalsContact CB-OE2 3.29Å; R293-E297 WeakPolarHBondContact CB-OE2 3.04Å; R293-E297 PolarHBondContact N-OE2 2.65Å; R293-E297 IonicContact NE-OE1 3.55Å
294	D	90.4	Very high	92.7	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.214	18%	0.182	C	C	.	.	S	Bend	trans	-146.3	172	-173.4	50.2	37	0	0	0	111.4	E296 E297 L298	D294-E296 PolarHBondContact O-N 2.84Å; D294-E296 PolarHBondContact OD1-N 3.17Å; D294-E297 PolarHBondContact O-N 2.85Å; D294-E297 PolarHBondContact OD1-N 3.24Å; D294-L298 PolarHBondContact O-N 3.41Å
295	D	91.5	Very high	92.8	Very high	56 Å²	56	34.3 Å²	34.3	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-59.3	-28.2	177.6	-58.7	-20.9	0	0	0	111.9	V299 I528 V548	D295-V299 WeakPolarHBondContact O-CG2 3.33Å; D295-V299 PolarHBondContact O-N 3.39Å; D295-V299 VanDerWaalsContact O-N 3.15Å; D295-I528 HydrophobicContact CB-CD1 4.16Å; D295-V548 HydrophobicContact CB-CG1 4.23Å; D295-V548 HydrophobicContact CB-CG2 4.07Å
296	E	91.4	Very high	93.1	Very high	88 Å²	88	28.4 Å²	28.4	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-66.1	-57.4	174.1	-73.2	-165.2	-153.7	0	0	111	R220 D294 L298 V299 H300 Q530	R220-E296 IonicContact CZ-OE2 3.51Å; R220-E296 IonicContact NH1-OE2 2.83Å; R220-E296 PolarHBondContact NH1-OE2 3.26Å; R220-E296 IonicContact NH2-OE2 2.71Å; R220-E296 PolarHBondContact NH2-OE2 3.46Å; D294-E296 PolarHBondContact O-N 2.84Å; D294-E296 PolarHBondContact OD1-N 3.17Å; E296-L298 PolarHBondContact O-N 3.47Å; E296-V299 PolarHBondContact O-N 3.33Å; E296-H300 PolarHBondContact O-N 3.38Å; E296-H300 VanDerWaalsContact O-N 3.16Å; E296-H300 PolarHBondContact O-ND1 2.94Å; E296-Q530 VanDerWaalsContact CA-NE2 3.35Å; E296-Q530 HydrophobicContact CG-CG 4.25Å; E296-Q530 PolarHBondContact O-NE2 2.99Å
297	E	92.3	Very high	93.2	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-54	-40.4	176.2	-77.3	-175.9	-170.6	0	0	111.4	T282 R286 A292 R293 D294 V299 H300 I301	T282-E297 WeakPolarHBondContact CG2-OE1 3.38Å; R286-E297 WeakPolarHBondContact CG-OE2 3.41Å; R286-E297 IonicContact CZ-OE1 3.29Å; R286-E297 IonicContact CZ-OE2 3.75Å; R286-E297 IonicContact NE-OE1 2.71Å; R286-E297 IonicContact NE-OE2 3.03Å; R286-E297 PolarHBondContact NE-OE2 3.45Å; R286-E297 IonicContact NH2-OE1 3.03Å; R286-E297 PolarHBondContact NH2-OE1 3.39Å; R286-E297 IonicContact NH2-OE2 3.47Å; R286-E297 PolarHBondContact NH2-OE2 3.04Å; A292-E297 HydrophobicContact CB-CB 3.92Å; R293-E297 VanDerWaalsContact CB-CD 3.5Å; R293-E297 WeakPolarHBondContact CB-OE1 3.5Å; R293-E297 VanDerWaalsContact CB-OE2 3.29Å; R293-E297 WeakPolarHBondContact CB-OE2 3.04Å; R293-E297 PolarHBondContact N-OE2 2.65Å; R293-E297 IonicContact NE-OE1 3.55Å; D294-E297 PolarHBondContact O-N 2.85Å; D294-E297 PolarHBondContact OD1-N 3.24Å; E297-V299 PolarHBondContact O-N 3.31Å; E297-H300 PolarHBondContact O-N 3.41Å; E297-I301 VanDerWaalsContact O-CG1 3.3Å; E297-I301 WeakPolarHBondContact O-CG1 3.25Å; E297-I301 PolarHBondContact O-N 2.96Å
298	L	93.6	Very high	93.4	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-45.7	179	-169.2	72.8	0	0	0	112.5	F261 F265 V267 A292 D294 E296 H300 I301 F302 V548	F261-L298 HydrophobicContact CE1-CD1 3.74Å; F261-L298 HydrophobicContact CE1-CD2 4.33Å; F261-L298 HydrophobicContact CE1-CG 3.78Å; F261-L298 HydrophobicContact CZ-CD1 3.57Å; F261-L298 HydrophobicContact CZ-CG 3.91Å; F265-L298 HydrophobicContact CB-CD1 3.82Å; V267-L298 HydrophobicContact CG2-CB 4.46Å; V267-L298 HydrophobicContact CG2-CD1 4.43Å; V267-L298 HydrophobicContact CG2-CD2 3.87Å; V267-L298 HydrophobicContact CG2-CG 4.48Å; A292-L298 HydrophobicContact CB-CB 3.88Å; A292-L298 HydrophobicContact CB-CD1 4.05Å; D294-L298 PolarHBondContact O-N 3.41Å; E296-L298 PolarHBondContact O-N 3.47Å; L298-H300 VanDerWaalsContact C-N 3.34Å; L298-H300 PolarHBondContact O-N 3.02Å; L298-I301 PolarHBondContact O-N 3.45Å; L298-F302 PolarHBondContact O-N 3.39Å; L298-V548 HydrophobicContact CD2-CG2 4.35Å
299	V	95.1	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-37	176.5	168.6	0	0	0	0	111.8	D295 E296 E297 F302 L303 L315 Q530 L532 V548	D295-V299 WeakPolarHBondContact O-CG2 3.33Å; D295-V299 PolarHBondContact O-N 3.39Å; D295-V299 VanDerWaalsContact O-N 3.15Å; E296-V299 PolarHBondContact O-N 3.33Å; E297-V299 PolarHBondContact O-N 3.31Å; V299-F302 PolarHBondContact O-N 3.2Å; V299-L303 WeakPolarHBondContact O-CB 3.05Å; V299-L303 PolarHBondContact O-N 3.14Å; V299-L315 HydrophobicContact CG1-CD1 4.42Å; V299-Q530 HydrophobicContact CG1-CG 4.33Å; V299-L532 HydrophobicContact CG1-CD2 3.65Å; V299-L532 HydrophobicContact CG1-CG 4.07Å; V299-V548 HydrophobicContact CG2-CG2 3.87Å
300	H	94.9	Very high	93.5	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-40.6	175.9	-64.9	100	0	0	0	112.2	L283 E296 E297 L298 L303 L304 Q530	L283-H300 HydrophobicContact CD1-CB 4.41Å; L283-H300 HydrophobicContact CD2-CB 3.96Å; E296-H300 PolarHBondContact O-N 3.38Å; E296-H300 VanDerWaalsContact O-N 3.16Å; E296-H300 PolarHBondContact O-ND1 2.94Å; E297-H300 PolarHBondContact O-N 3.41Å; L298-H300 VanDerWaalsContact C-N 3.34Å; L298-H300 PolarHBondContact O-N 3.02Å; H300-L303 PolarHBondContact O-N 2.84Å; H300-L304 WeakPolarHBondContact O-CG 3.48Å; H300-L304 PolarHBondContact O-N 3.48Å; H300-L304 VanDerWaalsContact O-N 3.1Å; H300-Q530 PolarHBondContact CE1-NE2 3.01Å; H300-Q530 VanDerWaalsContact CE1-NE2 3.26Å; H300-Q530 PolarHBondContact ND1-NE2 2.96Å
301	I	95.1	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.7	-65.8	167.4	0	0	0	110.4	F261 F265 L283 R286 F287 A292 E297 L298 L304 I305	F261-I301 HydrophobicContact CE2-CB 4.5Å; F261-I301 HydrophobicContact CE2-CG2 3.82Å; F261-I301 HydrophobicContact CZ-CB 4.45Å; F261-I301 HydrophobicContact CZ-CG2 4.22Å; F265-I301 HydrophobicContact CD1-CD1 4.41Å; F265-I301 HydrophobicContact CD1-CG2 3.9Å; F265-I301 HydrophobicContact CE1-CG2 3.56Å; F265-I301 HydrophobicContact CE2-CG2 4.35Å; F265-I301 HydrophobicContact CG-CG2 4.42Å; F265-I301 HydrophobicContact CZ-CG2 3.8Å; L283-I301 HydrophobicContact CD2-CG1 3.92Å; R286-I301 HydrophobicContact CB-CD1 3.71Å; R286-I301 HydrophobicContact CG-CD1 4.37Å; F287-I301 HydrophobicContact CD1-CG2 4.17Å; F287-I301 HydrophobicContact CE1-CG2 3.53Å; F287-I301 HydrophobicContact CZ-CB 4.3Å; F287-I301 HydrophobicContact CZ-CG1 4.49Å; F287-I301 HydrophobicContact CZ-CG2 3.74Å; A292-I301 HydrophobicContact CB-CD1 4Å; E297-I301 VanDerWaalsContact O-CG1 3.3Å; E297-I301 WeakPolarHBondContact O-CG1 3.25Å; E297-I301 PolarHBondContact O-N 2.96Å; L298-I301 PolarHBondContact O-N 3.45Å; I301-L304 WeakPolarHBondContact O-CB 3.46Å; I301-L304 PolarHBondContact O-N 2.8Å; I301-I305 HydrophobicContact CG2-CD1 4.43Å; I301-I305 PolarHBondContact O-N 3.11Å; I301-I305 VanDerWaalsContact O-N 3.12Å
302	F	95.8	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.4	-37	178.4	-167.6	-120	0	0	0	112.9	L257 V258 F261 L298 V299 L304 I305 L306 L532 V545 C547	L257-F302 HydrophobicContact CD2-CE2 4.35Å; L257-F302 HydrophobicContact CD2-CZ 4.3Å; L257-F302 HydrophobicContact CG-CE2 4.2Å; L257-F302 HydrophobicContact CG-CZ 4.42Å; V258-F302 HydrophobicContact CG2-CE1 3.87Å; V258-F302 HydrophobicContact CG2-CE2 4.37Å; V258-F302 HydrophobicContact CG2-CZ 3.51Å; F261-F302 HydrophobicContact CB-CD2 3.85Å; F261-F302 HydrophobicContact CB-CE2 3.82Å; F261-F302 HydrophobicContact CD1-CB 4.21Å; F261-F302 AromaticContact CD1-CD2 3.59Å; F261-F302 HydrophobicContact CD1-CD2 3.59Å; F261-F302 HydrophobicContact CD1-CE2 4.24Å; F261-F302 HydrophobicContact CD1-CG 4.01Å; F261-F302 HydrophobicContact CD2-CB 4.49Å; F261-F302 AromaticContact CD2-CD2 3.61Å; F261-F302 HydrophobicContact CD2-CD2 3.61Å; F261-F302 HydrophobicContact CD2-CE2 4.39Å; F261-F302 HydrophobicContact CD2-CG 4.47Å; F261-F302 HydrophobicContact CE1-CB 3.73Å; F261-F302 HydrophobicContact CE1-CD2 4Å; F261-F302 HydrophobicContact CE1-CG 4.04Å; F261-F302 HydrophobicContact CE2-CB 4.04Å; F261-F302 HydrophobicContact CE2-CD2 4.03Å; F261-F302 HydrophobicContact CE2-CG 4.5Å; F261-F302 AromaticContact CG-CD2 3.37Å; F261-F302 HydrophobicContact CG-CD2 3.37Å; F261-F302 AromaticContact CG-CE2 3.89Å; F261-F302 HydrophobicContact CG-CE2 3.89Å; F261-F302 HydrophobicContact CG-CG 4.23Å; F261-F302 HydrophobicContact CZ-CB 3.64Å; F261-F302 HydrophobicContact CZ-CD2 4.21Å; F261-F302 HydrophobicContact CZ-CG 4.29Å; L298-F302 PolarHBondContact O-N 3.39Å; V299-F302 PolarHBondContact O-N 3.2Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.13Å; F302-I305 HydrophobicContact CD2-CG2 4.44Å; F302-I305 HydrophobicContact CE2-CG2 4.44Å; F302-I305 WeakPolarHBondContact O-CB 3.5Å; F302-I305 PolarHBondContact O-N 3.13Å; F302-L306 HydrophobicContact CD1-CD1 3.94Å; F302-L306 HydrophobicContact CD1-CG 4.45Å; F302-L306 HydrophobicContact CE1-CD1 3.64Å; F302-L306 HydrophobicContact CE1-CD2 4.28Å; F302-L306 HydrophobicContact CE1-CG 4.07Å; F302-L306 HydrophobicContact CZ-CD1 4.2Å; F302-L306 HydrophobicContact CZ-CD2 4.01Å; F302-L306 HydrophobicContact CZ-CG 4.14Å; F302-L306 WeakPolarHBondContact O-CG 3.48Å; F302-L306 PolarHBondContact O-N 3.39Å; F302-L532 HydrophobicContact CB-CD1 4.41Å; F302-L532 HydrophobicContact CD1-CD1 3.64Å; F302-L532 HydrophobicContact CE1-CD1 4.37Å; F302-L532 HydrophobicContact CG-CD1 4.43Å; F302-V545 HydrophobicContact CD1-CG1 4.49Å; F302-V545 HydrophobicContact CE1-CG1 3.62Å; F302-V545 HydrophobicContact CZ-CG1 4.38Å; F302-C547 HydrophobicContact CB-CB 4.11Å; F302-C547 HydrophobicContact CD1-CB 3.49Å; F302-C547 VanDerWaalsContact CD1-CB 3.49Å; F302-C547 HydrophobicContact CD2-CB 4.48Å; F302-C547 HydrophobicContact CE1-CB 4.05Å; F302-C547 HydrophobicContact CG-CB 3.76Å
303	L	96.1	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-42.1	173.1	179.4	56.8	0	0	0	112.2	C224 V299 H300 I305 L306 R307 L315 L532	C224-L303 HydrophobicContact CB-CD2 3.73Å; C224-L303 HydrophobicContact CB-CG 4.19Å; V299-L303 WeakPolarHBondContact O-CB 3.05Å; V299-L303 PolarHBondContact O-N 3.14Å; H300-L303 PolarHBondContact O-N 2.84Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 3.08Å; L303-L306 PolarHBondContact O-N 3.11Å; L303-R307 HydrophobicContact CD1-CG 4.28Å; L303-R307 WeakPolarHBondContact O-CB 3.21Å; L303-R307 WeakPolarHBondContact O-CG 3.35Å; L303-R307 PolarHBondContact O-N 2.73Å; L303-L315 HydrophobicContact CD2-CB 3.84Å; L303-L315 HydrophobicContact CD2-CD1 4.19Å; L303-L315 HydrophobicContact CD2-CD2 4.4Å; L303-L315 HydrophobicContact CD2-CG 4.35Å; L303-L532 HydrophobicContact CB-CD1 3.8Å; L303-L532 HydrophobicContact CB-CD2 3.93Å; L303-L532 HydrophobicContact CD1-CD1 4.24Å; L303-L532 HydrophobicContact CD1-CD2 4.06Å; L303-L532 HydrophobicContact CD2-CD2 4.24Å; L303-L532 HydrophobicContact CG-CD2 4.3Å
304	L	95.5	Very high	94	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-37.3	176	-77.4	166.4	0	0	0	112.2	C224 L229 H230 L283 F287 H300 I301 F302 R307 A308	C224-L304 HydrophobicContact CB-CD2 4.25Å; C224-L304 HydrophobicContact CB-CG 4.3Å; C224-L304 WeakPolarHBondContact O-CD2 3.47Å; L229-L304 HydrophobicContact CB-CD1 4.07Å; L229-L304 HydrophobicContact CB-CD2 3.6Å; L229-L304 HydrophobicContact CB-CG 4.47Å; L229-L304 HydrophobicContact CD1-CD1 4.08Å; L229-L304 HydrophobicContact CD1-CD2 4.3Å; L229-L304 HydrophobicContact CD2-CD1 4.4Å; L229-L304 HydrophobicContact CG-CD1 4.44Å; H230-L304 VanDerWaalsContact CD2-CD2 3.47Å; H230-L304 WeakPolarHBondContact CD2-CD2 3.29Å; L283-L304 HydrophobicContact CD1-CD1 4.09Å; F287-L304 HydrophobicContact CE2-CB 4.34Å; F287-L304 HydrophobicContact CE2-CD1 3.69Å; F287-L304 HydrophobicContact CZ-CB 3.85Å; F287-L304 HydrophobicContact CZ-CD1 4.03Å; H300-L304 WeakPolarHBondContact O-CG 3.48Å; H300-L304 PolarHBondContact O-N 3.48Å; H300-L304 VanDerWaalsContact O-N 3.1Å; I301-L304 WeakPolarHBondContact O-CB 3.46Å; I301-L304 PolarHBondContact O-N 2.8Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.13Å; L304-R307 PolarHBondContact O-N 3.31Å; L304-A308 VanDerWaalsContact O-CB 3.24Å; L304-A308 WeakPolarHBondContact O-CB 3.43Å; L304-A308 PolarHBondContact O-N 2.98Å
305	I	94.7	Very high	94.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-45.4	173.1	-77.6	167	0	0	0	111.6	I237 W260 F261 F265 F287 I301 F302 L303 A308 L309	I237-I305 HydrophobicContact CD1-CB 4.25Å; I237-I305 HydrophobicContact CD1-CG1 4.35Å; I237-I305 HydrophobicContact CD1-CG2 3.77Å; I237-I305 HydrophobicContact CG1-CG1 4.32Å; I237-I305 HydrophobicContact CG1-CG2 4.02Å; W260-I305 HydrophobicContact CH2-CD1 4.26Å; W260-I305 HydrophobicContact CZ3-CD1 4.27Å; W260-I305 HydrophobicContact CZ3-CG2 4.3Å; F261-I305 HydrophobicContact CD2-CD1 3.58Å; F261-I305 HydrophobicContact CE2-CD1 3.73Å; F265-I305 HydrophobicContact CE2-CD1 3.88Å; F265-I305 HydrophobicContact CZ-CD1 4.32Å; F287-I305 HydrophobicContact CE1-CG1 4.44Å; I301-I305 HydrophobicContact CG2-CD1 4.43Å; I301-I305 PolarHBondContact O-N 3.11Å; I301-I305 VanDerWaalsContact O-N 3.12Å; F302-I305 HydrophobicContact CD2-CG2 4.44Å; F302-I305 HydrophobicContact CE2-CG2 4.44Å; F302-I305 WeakPolarHBondContact O-CB 3.5Å; F302-I305 PolarHBondContact O-N 3.13Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 3.08Å; I305-A308 PolarHBondContact O-N 2.89Å; I305-L309 PolarHBondContact O-N 3.46Å
306	L	95.2	Very high	94.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.8	-37.1	178.9	-63.7	166.9	0	0	0	112.2	L254 L257 F302 L303 L309 L311 T313 L532 V534	L254-L306 HydrophobicContact CD2-CD2 4.23Å; L257-L306 HydrophobicContact CD2-CD2 3.56Å; F302-L306 HydrophobicContact CD1-CD1 3.94Å; F302-L306 HydrophobicContact CD1-CG 4.45Å; F302-L306 HydrophobicContact CE1-CD1 3.64Å; F302-L306 HydrophobicContact CE1-CD2 4.28Å; F302-L306 HydrophobicContact CE1-CG 4.07Å; F302-L306 HydrophobicContact CZ-CD1 4.2Å; F302-L306 HydrophobicContact CZ-CD2 4.01Å; F302-L306 HydrophobicContact CZ-CG 4.14Å; F302-L306 WeakPolarHBondContact O-CG 3.48Å; F302-L306 PolarHBondContact O-N 3.39Å; L303-L306 PolarHBondContact O-N 3.11Å; L306-L309 PolarHBondContact O-N 3.33Å; L306-L311 HydrophobicContact CD2-CD1 4Å; L306-L311 WeakPolarHBondContact O-CB 3.32Å; L306-L311 PolarHBondContact O-N 3.17Å; L306-T313 HydrophobicContact CB-CG2 3.56Å; L306-T313 HydrophobicContact CD1-CG2 4.12Å; L306-T313 HydrophobicContact CG-CG2 4.44Å; L306-L532 HydrophobicContact CD1-CD1 3.59Å; L306-V534 HydrophobicContact CD1-CG2 3.87Å; L306-V534 HydrophobicContact CD2-CG2 4.27Å
307	R	94.7	Very high	94.8	Very high	17 Å²	17	15 Å²	15	6%	0.064	7%	0.074	C	C	.	.	H	α-helix	trans	-70	-36.7	175.3	-73.3	177.4	177	-179.3	2	112.7	N221 C224 S225 L303 L304 L309 Q310 T313	N221-R307 PolarHBondContact O-NH1 2.84Å; N221-R307 PolarHBondContact OD1-NH1 2.68Å; N221-R307 PolarHBondContact OD1-NH2 3.03Å; C224-R307 WeakPolarHBondContact O-CD 3.44Å; C224-R307 PolarHBondContact O-NH1 3.37Å; S225-R307 PolarHBondContact OG-NH1 3.22Å; L303-R307 HydrophobicContact CD1-CG 4.28Å; L303-R307 WeakPolarHBondContact O-CB 3.21Å; L303-R307 WeakPolarHBondContact O-CG 3.35Å; L303-R307 PolarHBondContact O-N 2.73Å; L304-R307 PolarHBondContact O-N 3.31Å; R307-L309 PolarHBondContact O-N 2.89Å; R307-Q310 WeakPolarHBondContact O-CA 3.46Å; R307-Q310 PolarHBondContact O-N 3.14Å; R307-T313 WeakPolarHBondContact CG-OG1 3.38Å; R307-T313 PolarHBondContact NE-OG1 2.96Å; R307-T313 PolarHBondContact NH2-O 2.55Å
308	A	93.9	Very high	95	Very high	12 Å²	12	14.9 Å²	14.9	10%	0.099	7%	0.074	C	C	.	.	H	α-helix	trans	-61.1	-30.7	171.4	0	0	0	0	0	112.7	H230 L234 I237 L304 I305 Q310	H230-A308 HydrophobicContact CB-CB 4.35Å; H230-A308 WeakPolarHBondContact O-CB 3.39Å; L234-A308 HydrophobicContact CB-CB 4.1Å; I237-A308 HydrophobicContact CD1-CB 4.21Å; L304-A308 VanDerWaalsContact O-CB 3.24Å; L304-A308 WeakPolarHBondContact O-CB 3.43Å; L304-A308 PolarHBondContact O-N 2.98Å; I305-A308 PolarHBondContact O-N 2.89Å; A308-Q310 PolarHBondContact O-N 3.49Å
309	L	93.5	Very high	95	Very high	18 Å²	18	14.8 Å²	14.8	9%	0.094	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	6.2	171.6	-70.7	167.5	0	0	0	114.1	I237 T242 L257 I305 L306 R307 L311	I237-L309 HydrophobicContact CD1-CD1 4.25Å; I237-L309 HydrophobicContact CD1-CD2 4.31Å; I237-L309 HydrophobicContact CD1-CG 3.9Å; I237-L309 HydrophobicContact CG2-CD2 4.28Å; T242-L309 HydrophobicContact CG2-CD2 3.9Å; L257-L309 HydrophobicContact CD1-CD1 4.22Å; L257-L309 HydrophobicContact CD2-CD1 3.82Å; I305-L309 PolarHBondContact O-N 3.46Å; L306-L309 PolarHBondContact O-N 3.33Å; R307-L309 PolarHBondContact O-N 2.89Å; L309-L311 HydrophobicContact CB-CD1 4.24Å; L309-L311 HydrophobicContact CB-CG 3.9Å; L309-L311 PolarHBondContact O-N 3.28Å
310	Q	92.3	Very high	94.9	Very high	165 Å²	165	17.3 Å²	17.3	77%	0.771	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	28.2	-178.1	-56.3	-178.2	-19.2	0	0	113.7	P246 R307 A308	P246-Q310 HydrophobicContact CG-CB 4.43Å; R307-Q310 WeakPolarHBondContact O-CA 3.46Å; R307-Q310 PolarHBondContact O-N 3.14Å; A308-Q310 PolarHBondContact O-N 3.49Å
311	L	92.9	Very high	94.9	Very high	13 Å²	13	17.8 Å²	17.8	7%	0.068	9%	0.088	C	C	.	.			trans	-84.7	134.2	175.5	-52	-176.9	0	0	0	110.4	P246 V249 L254 L306 L309 T313 V534	P246-L311 HydrophobicContact CB-CD2 3.87Å; P246-L311 HydrophobicContact CG-CD2 4.3Å; V249-L311 HydrophobicContact CB-CD2 4.49Å; V249-L311 HydrophobicContact CG1-CD1 4.39Å; V249-L311 HydrophobicContact CG2-CD1 4.43Å; V249-L311 HydrophobicContact CG2-CD2 3.79Å; L254-L311 HydrophobicContact CD2-CD1 4.46Å; L306-L311 HydrophobicContact CD2-CD1 4Å; L306-L311 WeakPolarHBondContact O-CB 3.32Å; L306-L311 PolarHBondContact O-N 3.17Å; L309-L311 HydrophobicContact CB-CD1 4.24Å; L309-L311 HydrophobicContact CB-CG 3.9Å; L309-L311 PolarHBondContact O-N 3.28Å; L311-T313 HydrophobicContact CB-CG2 4.13Å; L311-T313 VanDerWaalsContact O-CG2 3.25Å; L311-T313 WeakPolarHBondContact O-CG2 3.46Å; L311-T313 PolarHBondContact O-N 2.82Å; L311-T313 PolarHBondContact O-OG1 3.35Å; L311-T313 VanDerWaalsContact O-OG1 3.1Å; L311-V534 HydrophobicContact CB-CG1 4.15Å; L311-V534 HydrophobicContact CD1-CG1 4.32Å
312	L	93.2	Very high	94.7	Very high	43 Å²	43	21.1 Å²	21.1	23%	0.225	11%	0.106	C	C	.	.			trans	-67.4	118.2	175.1	-171.9	77.1	0	0	0	109.4	F535 W542 D573 R617	L312-F535 HydrophobicContact CB-CB 4.15Å; L312-F535 HydrophobicContact CD2-CB 3.85Å; L312-F535 HydrophobicContact CD2-CD1 4.34Å; L312-F535 HydrophobicContact CD2-CG 4.18Å; L312-F535 HydrophobicContact CG-CB 4.39Å; L312-F535 PolarHBondContact O-N 2.96Å; L312-W542 HydrophobicContact CD2-CH2 3.58Å; L312-W542 HydrophobicContact CD2-CZ2 3.85Å; L312-W542 HydrophobicContact CD2-CZ3 4.46Å; L312-W542 HydrophobicContact CG-CH2 3.74Å; L312-W542 HydrophobicContact CG-CZ2 4.5Å; L312-W542 HydrophobicContact CG-CZ3 4.39Å; L312-D573 WeakPolarHBondContact CD1-OD1 3.47Å; L312-R617 VanDerWaalsContact CD2-CZ 3.46Å; L312-R617 VanDerWaalsContact CD2-NH1 3.26Å
313	T	95.7	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	123.5	-161.1	44.3	0	0	0	0	112.9	L306 R307 L311 E533 V534 S574	L306-T313 HydrophobicContact CB-CG2 3.56Å; L306-T313 HydrophobicContact CD1-CG2 4.12Å; L306-T313 HydrophobicContact CG-CG2 4.44Å; R307-T313 WeakPolarHBondContact CG-OG1 3.38Å; R307-T313 PolarHBondContact NE-OG1 2.96Å; R307-T313 PolarHBondContact NH2-O 2.55Å; L311-T313 HydrophobicContact CB-CG2 4.13Å; L311-T313 VanDerWaalsContact O-CG2 3.25Å; L311-T313 WeakPolarHBondContact O-CG2 3.46Å; L311-T313 PolarHBondContact O-N 2.82Å; L311-T313 PolarHBondContact O-OG1 3.35Å; L311-T313 VanDerWaalsContact O-OG1 3.1Å; T313-E533 WeakPolarHBondContact CA-O 3.25Å; T313-V534 HydrophobicContact CG2-CG1 4.49Å; T313-V534 HydrophobicContact CG2-CG2 4.13Å; T313-S574 PolarHBondContact O-N 3.33Å
314	R	96.2	Very high	94.1	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.3	172.1	-67.8	162.3	172.3	176.8	-1.2	111.1	V316 L532 E533 W542 I572 D573 E621	R314-V316 HydrophobicContact CB-CG2 4.47Å; R314-L532 WeakPolarHBondContact O-CA 3.41Å; R314-E533 HydrophobicContact CB-CB 4.16Å; R314-E533 WeakPolarHBondContact CD-OE2 3.36Å; R314-E533 PolarHBondContact N-O 2.75Å; R314-E533 IonicContact NH1-OE2 2.66Å; R314-E533 PolarHBondContact NH1-OE2 2.92Å; R314-E533 VanDerWaalsContact NH1-OE2 3.15Å; R314-E533 PolarHBondContact O-N 3.06Å; R314-W542 HydrophobicContact CB-CZ3 4.32Å; R314-W542 HydrophobicContact CG-CE3 4.32Å; R314-W542 HydrophobicContact CG-CH2 3.65Å; R314-W542 HydrophobicContact CG-CZ2 4.32Å; R314-W542 HydrophobicContact CG-CZ3 3.67Å; R314-W542 VanDerWaalsContact CZ-CZ2 3.43Å; R314-W542 VanDerWaalsContact CZ-NE1 3.35Å; R314-I572 CarbonylContact C-O 3.55Å; R314-I572 WeakPolarHBondContact CA-O 3.5Å; R314-D573 HydrophobicContact CG-CB 4.12Å; R314-E621 IonicContact CZ-OE1 2.77Å; R314-E621 IonicContact CZ-OE2 3.15Å; R314-E621 IonicContact NH1-OE1 3.84Å; R314-E621 PolarHBondContact NH1-OE1 2.91Å; R314-E621 IonicContact NH1-OE2 2.68Å; R314-E621 PolarHBondContact NH1-OE2 2.72Å; R314-E621 VanDerWaalsContact NH1-OE2 3.13Å; R314-E621 IonicContact NH2-OE1 2.81Å; R314-E621 IonicContact NH2-OE2 2.85Å; R314-E621 PolarHBondContact NH2-OE2 2.71Å
315	L	97	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.3	159.3	176.8	57.5	0	0	0	107.8	R220 V299 L303 L317 L532 I572	R220-L315 HydrophobicContact CB-CD2 3.99Å; V299-L315 HydrophobicContact CG1-CD1 4.42Å; L303-L315 HydrophobicContact CD2-CB 3.84Å; L303-L315 HydrophobicContact CD2-CD1 4.19Å; L303-L315 HydrophobicContact CD2-CD2 4.4Å; L303-L315 HydrophobicContact CD2-CG 4.35Å; L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CD2-CD1 4.43Å; L315-L317 HydrophobicContact CD2-CD2 4.18Å; L315-L317 HydrophobicContact CD2-CG 4.5Å; L315-L317 HydrophobicContact CG-CD1 4.49Å; L315-L317 HydrophobicContact CG-CD2 3.86Å; L315-L317 HydrophobicContact CG-CG 4.08Å; L315-L532 HydrophobicContact CD1-CD2 3.89Å; L315-I572 PolarHBondContact N-O 3.45Å; L315-I572 PolarHBondContact O-N 2.95Å
316	V	97.1	Very high	91.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.2	179.2	-173.1	0	0	0	0	109.8	R314 Q530 W531 E533 V569 V570 V581 Y585	R314-V316 HydrophobicContact CB-CG2 4.47Å; V316-Q530 VanDerWaalsContact O-CA 3.28Å; V316-Q530 WeakPolarHBondContact O-CA 3.36Å; V316-W531 WeakPolarHBondContact CA-O 3.29Å; V316-W531 HydrophobicContact CB-CD2 4.46Å; V316-W531 HydrophobicContact CB-CG 4.38Å; V316-W531 WeakPolarHBondContact CB-O 3.32Å; V316-W531 HydrophobicContact CG1-CD2 4.38Å; V316-W531 HydrophobicContact CG1-CZ2 3.66Å; V316-W531 PolarHBondContact N-O 3.01Å; V316-W531 PolarHBondContact O-N 3.03Å; V316-W531 VanDerWaalsContact O-O 3.07Å; V316-E533 HydrophobicContact CG2-CB 4.01Å; V316-E533 HydrophobicContact CG2-CG 3.7Å; V316-V569 HydrophobicContact CG1-CG1 3.3Å; V316-V570 CarbonylContact C-O 3.56Å; V316-V570 WeakPolarHBondContact CA-O 3.41Å; V316-V581 HydrophobicContact CG1-CG2 3.91Å; V316-Y585 HydrophobicContact CG1-CE2 4.13Å
317	L	96.2	Very high	89.3	Confident	11 Å²	11	41.7 Å²	41.7	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.4	-175.3	-57.5	174.8	0	0	0	110.1	L315 L319 Q530 V569 V570 I572	L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CD2-CD1 4.43Å; L315-L317 HydrophobicContact CD2-CD2 4.18Å; L315-L317 HydrophobicContact CD2-CG 4.5Å; L315-L317 HydrophobicContact CG-CD1 4.49Å; L315-L317 HydrophobicContact CG-CD2 3.86Å; L315-L317 HydrophobicContact CG-CG 4.08Å; L317-L319 HydrophobicContact CB-CD2 3.8Å; L317-L319 PolarHBondContact O-N 3.09Å; L317-Q530 HydrophobicContact CD2-CB 3.67Å; L317-V569 WeakPolarHBondContact O-CA 3.34Å; L317-V570 HydrophobicContact CB-CG2 4.17Å; L317-V570 PolarHBondContact N-O 2.7Å; L317-V570 PolarHBondContact O-N 3.31Å; L317-I572 HydrophobicContact CD1-CD1 4.01Å
318	S	95.7	Very high	86.5	Confident	6 Å²	6	46 Å²	46	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	98.2	165.9	-171.1	0	0	0	0	109.1	Q320 D529 Y568	S318-Q320 PolarHBondContact O-N 3.48Å; S318-Q320 PolarHBondContact OG-NE2 3.39Å; S318-D529 PolarHBondContact N-O 2.87Å; S318-Y568 CarbonylContact C-O 3.4Å; S318-Y568 WeakPolarHBondContact CA-O 3.48Å
319	L	94.9	Very high	83.5	Confident	8 Å²	8	50 Å²	50	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.1	-179.4	-44.6	-179.8	0	0	0	109.4	L210 L213 L317 P321 Y568 V570 W603	L210-L319 HydrophobicContact CD1-CB 3.97Å; L210-L319 HydrophobicContact CD1-CD1 3.65Å; L210-L319 HydrophobicContact CD1-CG 4.47Å; L213-L319 HydrophobicContact CB-CB 4.33Å; L213-L319 HydrophobicContact CB-CD2 4.12Å; L213-L319 HydrophobicContact CD1-CB 4.13Å; L317-L319 HydrophobicContact CB-CD2 3.8Å; L317-L319 PolarHBondContact O-N 3.09Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; L319-Y568 PolarHBondContact N-O 3.43Å; L319-V570 HydrophobicContact CD1-CG1 4.16Å; L319-V570 HydrophobicContact CD1-CG2 3.89Å; L319-V570 HydrophobicContact CD2-CG2 3.97Å; L319-V570 HydrophobicContact CG-CG2 4.01Å; L319-W603 HydrophobicContact CD1-CH2 4.44Å
320	Q	93	Very high	80.5	Confident	54 Å²	54	57.9 Å²	57.9	25%	0.252	33%	0.329	S	S	.	.			trans	-110.3	71.2	-179.2	-58.6	-64.9	-14.6	0	0	111	S318 D529 T563 P565	S318-Q320 PolarHBondContact O-N 3.48Å; S318-Q320 PolarHBondContact OG-NE2 3.39Å; Q320-D529 PolarHBondContact NE2-OD1 2.89Å; Q320-T563 PolarHBondContact NE2-O 3.25Å; Q320-P565 PolarHBondContact OE1-O 3.48Å
321	P	93.7	Very high	77.6	Confident	15 Å²	15	52.8 Å²	52.8	10%	0.097	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-69.7	169.5	178.3	32.2	-37.7	0	0	0	112.1	H206 L210 L213 L319 Y568	H206-P321 VanDerWaalsContact CE1-CG 3.45Å; H206-P321 WeakPolarHBondContact CE1-CG 3.29Å; L210-P321 HydrophobicContact CB-CB 4.38Å; L210-P321 HydrophobicContact CD1-CB 4.43Å; L210-P321 HydrophobicContact CD1-CG 4.21Å; L213-P321 HydrophobicContact CD1-CB 4.33Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; P321-Y568 HydrophobicContact CG-CD2 3.86Å; P321-Y568 HydrophobicContact CG-CE2 3.74Å
322	I	92.7	Very high	74.7	Confident	71 Å²	71	61.9 Å²	61.9	36%	0.364	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62	128.3	173.5	-71.2	154.8	0	0	0	107.8	T205 H206 H209 L324	T205-I322 HydrophobicContact CG2-CD1 4.01Å; H206-I322 PolarHBondContact ND1-O 2.98Å; H209-I322 HydrophobicContact CB-CD1 4.45Å; H209-I322 PolarHBondContact ND1-N 3.24Å; H209-I322 VanDerWaalsContact ND1-N 3.17Å; I322-L324 PolarHBondContact O-N 3.36Å
323	P	91	Very high	71.6	Confident	82 Å²	82	69.4 Å²	69.4	53%	0.532	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-54.7	125.7	-172.9	-29.6	35.7	0	0	0	113.6	H202 K325	H202-P323 PolarHBondContact NE2-O 3.5Å; P323-K325 PolarHBondContact O-N 2.99Å
324	L	87.3	Confident	68.6	Low	26 Å²	26	75.3 Å²	75.3	14%	0.136	43%	0.428	C	S	.	.	S	Bend	trans	-59.9	-34.9	-176.7	-172.7	68.5	0	0	0	112.7	H202 E203 H206 I322 R597	H202-L324 PolarHBondContact CD2-O 3.22Å; H202-L324 PolarHBondContact NE2-O 2.95Å; E203-L324 HydrophobicContact CB-CD1 4.15Å; E203-L324 HydrophobicContact CG-CD1 3.84Å; H206-L324 HydrophobicContact CB-CD1 3.79Å; I322-L324 PolarHBondContact O-N 3.36Å; L324-R597 VanDerWaalsContact CD2-C 3.44Å; L324-R597 WeakPolarHBondContact CD2-O 3.12Å
325	K	79.5	Confident	65.6	Low	134 Å²	134	79.8 Å²	79.8	58%	0.583	46%	0.461	S	S	*	.	S	Bend	trans	-103.7	122	171.1	-71.8	168.3	178.5	164.7	0	107.9	P323 A327 K595	P323-K325 PolarHBondContact O-N 2.99Å; K325-A327 PolarHBondContact O-N 3.29Å; K325-A327 VanDerWaalsContact O-N 3.13Å; K325-K595 PolarHBondContact NZ-O 2.82Å
326	S	59.3	Low	62.6	Low	97 Å²	97	88.9 Å²	88.9	68%	0.678	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-56.5	118.7	168.3	54.7	0	0	0	0	108.7	T328	S326-T328 PolarHBondContact O-N 2.66Å; S326-T328 VanDerWaalsContact O-N 3.08Å
327	A	46.4	Very low	59.5	Low	92 Å²	92	97 Å²	97	76%	0.76	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-58	118	170.3	0	0	0	0	0	108	K325 A329	K325-A327 PolarHBondContact O-N 3.29Å; K325-A327 VanDerWaalsContact O-N 3.13Å; A327-A329 PolarHBondContact O-N 3.22Å
328	T	35	Very low	56.3	Low	108 Å²	108	106.2 Å²	106.2	66%	0.663	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.5	116.5	178	28.5	0	0	0	0	108.4	S326 K330	S326-T328 PolarHBondContact O-N 2.66Å; S326-T328 VanDerWaalsContact O-N 3.08Å; T328-K330 PolarHBondContact O-N 3.07Å
329	A	30.1	Very low	53.5	Low	96 Å²	96	113.7 Å²	113.7	79%	0.793	61%	0.611	S	S	*	*			trans	-76.6	60.6	-167.7	0	0	0	0	0	112.5	A327 G331	A327-A329 PolarHBondContact O-N 3.22Å; A329-G331 PolarHBondContact O-N 2.98Å
330	K	31.9	Very low	50.6	Low	184 Å²	184	118.8 Å²	118.8	80%	0.8	64%	0.643	S	S	*	*			trans	-76	60.6	163.2	-65.3	-160.9	175.6	-166.5	0	109.5	T328	T328-K330 PolarHBondContact O-N 3.07Å
331	G	30.9	Very low	47.8	Very low	57 Å²	57	120.9 Å²	120.9	59%	0.588	67%	0.67	S	S	*	*	S	Bend	trans	-155.5	116.7	-176.2	0	0	0	0	0	110.3	A329	A329-G331 PolarHBondContact O-N 2.98Å
332	K	31.2	Very low	45	Very low	204 Å²	204	127.7 Å²	127.7	89%	0.887	71%	0.706	S	S	*	*			trans	-33.4	133.7	-177.2	-63.4	170.6	177.7	177.5	0	114.1
333	K	28.2	Very low	42.3	Very low	201 Å²	201	130.3 Å²	130.3	87%	0.874	73%	0.727	S	S	*	*			trans	-42.9	125.4	165.4	-73.9	176.7	177.7	170.8	0	109.5	S335	K333-S335 PolarHBondContact O-N 2.93Å; K333-S335 VanDerWaalsContact O-N 3.17Å
334	P	33.8	Very low	39.5	Very low	124 Å²	124	130.5 Å²	130.5	81%	0.805	74%	0.744	S	S	*	*			trans	-65.2	119	173.4	26.2	-32.1	0	0	0	108.5	K336	P334-K336 PolarHBondContact O-N 3.31Å; P334-K336 VanDerWaalsContact O-N 3.13Å
335	S	33.1	Very low	36.9	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	78%	0.78	S	S	*	*			trans	-62	113.9	171.2	43.4	0	0	0	0	108.4	K333 E337	K333-S335 PolarHBondContact O-N 2.93Å; K333-S335 VanDerWaalsContact O-N 3.17Å; S335-E337 PolarHBondContact O-N 2.87Å
336	K	34.1	Very low	34.7	Very low	192 Å²	192	132 Å²	132	84%	0.835	79%	0.787	S	S	*	*			trans	-77.2	73.4	-175.7	-165.3	173.3	-171.4	170.5	0	110	P334 R338	P334-K336 PolarHBondContact O-N 3.31Å; P334-K336 VanDerWaalsContact O-N 3.13Å; K336-R338 VanDerWaalsContact C-N 3.35Å; K336-R338 PolarHBondContact O-N 2.71Å
337	E	32	Very low	33.6	Very low	171 Å²	171	132.2 Å²	132.2	80%	0.799	79%	0.788	S	S	*	*			trans	-66.4	95.9	170.8	-79.1	-171.7	150.1	0	0	109.6	S335 L339	S335-E337 PolarHBondContact O-N 2.87Å; E337-L339 PolarHBondContact O-N 3.03Å
338	R	29.3	Very low	33.1	Very low	204 Å²	204	136.2 Å²	136.2	77%	0.77	79%	0.791	S	S	*	*			trans	-83.8	89	166.9	176.6	-177.3	-83.2	-163.5	-9.3	107.4	K336 T340	K336-R338 VanDerWaalsContact C-N 3.35Å; K336-R338 PolarHBondContact O-N 2.71Å; R338-T340 HydrophobicContact CG-CG2 4.25Å; R338-T340 PolarHBondContact O-N 2.7Å
339	L	35.6	Very low	32.9	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	80%	0.798	S	S	*	*			trans	-74.7	106.1	162.8	-71.5	176.5	0	0	0	108.5	E337 A341	E337-L339 PolarHBondContact O-N 3.03Å; L339-A341 PolarHBondContact O-N 3.04Å
340	T	35	Very low	33.1	Very low	116 Å²	116	138 Å²	138	71%	0.712	80%	0.797	S	S	*	*			trans	-76.3	110.4	164.9	44.7	0	0	0	0	108.4	R338	R338-T340 HydrophobicContact CG-CG2 4.25Å; R338-T340 PolarHBondContact O-N 2.7Å
341	A	34.7	Very low	33.3	Very low	98 Å²	98	133.9 Å²	133.9	81%	0.81	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.7	116.8	166.5	0	0	0	0	0	108.8	L339	L339-A341 PolarHBondContact O-N 3.04Å
342	D	34	Very low	33.6	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.2	152.5	163	-84.1	-47	0	0	0	110
343	P	35.4	Very low	33.6	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-99.4	150.2	-160.5	36.9	-34.9	0	0	0	114.7
344	G	32.7	Very low	33.9	Very low	85 Å²	85	135.7 Å²	135.7	88%	0.876	80%	0.804	S	S	*	*			trans	138.5	138.6	156.3	0	0	0	0	0	115.4
345	G	31.7	Very low	33.9	Very low	87 Å²	87	136.6 Å²	136.6	90%	0.897	80%	0.797	S	S	*	*			trans	124.1	102.8	169.1	0	0	0	0	0	114.1
346	S	33.6	Very low	33.8	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	79%	0.787	S	S	*	*			trans	-89.9	169.8	177.2	51.2	0	0	0	0	113.2
347	S	37.5	Very low	34.1	Very low	100 Å²	100	135 Å²	135	70%	0.699	78%	0.784	S	S	*	*			trans	64.4	148.6	161.8	58.5	0	0	0	0	117.5
348	E	35.1	Very low	34	Very low	177 Å²	177	131.9 Å²	131.9	83%	0.827	78%	0.777	S	S	*	*			cis	-158.5	155.3	-12.1	-115.9	167.4	-158.1	0	0	109.9
349	T	30.4	Very low	34.2	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	78%	0.781	S	S	*	*			trans	5.7	124.1	150.6	-38.5	0	0	0	0	120.4
350	S	35.4	Very low	34.3	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	78%	0.78	S	S	*	*				178.7	137.9	113.2	-171.4	0	0	0	0	114
351	S	34.9	Very low	34.3	Very low	98 Å²	98	133.4 Å²	133.4	69%	0.685	79%	0.785	S	S	*	*			trans	-68.7	158.2	172.7	43.1	0	0	0	0	115.1
352	Q	37.5	Very low	34.1	Very low	196 Å²	196	135 Å²	135	92%	0.916	79%	0.785	S	S	*	*				-161.9	141.4	123.2	-108	173.2	29.8	0	0	112.5
353	V	30.6	Very low	34.4	Very low	123 Å²	123	132 Å²	132	75%	0.745	78%	0.777	S	S	*	*			trans	-112.3	146.3	178.1	169.9	0	0	0	0	108.3
354	L	35.7	Very low	34.4	Very low	180 Å²	180	136 Å²	136	94%	0.942	78%	0.781	S	S	*	*			trans	-141.9	143.2	156.2	-101	172	0	0	0	110.6
355	E	32.7	Very low	34.3	Very low	143 Å²	143	135.2 Å²	135.2	67%	0.668	77%	0.773	S	S	*	*			trans	-137.9	163	-158.2	-147.2	-169.8	-154.1	0	0	111.5
356	N	32.1	Very low	34.4	Very low	99 Å²	99	136.9 Å²	136.9	53%	0.529	77%	0.766	S	S	.	*			trans	68.1	128.8	156.4	-56.2	-39.7	0	0	0	122
357	H	40.8	Very low	34.3	Very low	166 Å²	166	141 Å²	141	77%	0.769	77%	0.771	S	S	*	*				171.8	111.5	91.4	-87	-62.1	0	0	0	112.1
358	T	30.2	Very low	34	Very low	105 Å²	105	144.9 Å²	144.9	64%	0.644	78%	0.778	S	S	*	*				70	115.4	90.7	-20.2	0	0	0	0	119.1
359	K	33.6	Very low	33.7	Very low	195 Å²	195	145 Å²	145	85%	0.848	78%	0.779	S	S	*	*				152.8	140.2	117	-81.6	-177.7	-177.1	173.6	0	116.3
360	P	37.4	Very low	33.8	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	78%	0.781	S	S	*	*			trans	-118.5	177.7	179	43.4	-34.4	0	0	0	115.8
361	K	33.9	Very low	33.5	Very low	192 Å²	192	147.5 Å²	147.5	84%	0.835	78%	0.777	S	S	*	*			trans	-152.4	118.8	168.2	-81.3	-167.2	-179.7	177.8	0	110.7
362	T	31.6	Very low	33.2	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	79%	0.787	S	S	*	*				59.7	137.9	93.4	64.1	0	0	0	0	115.4
363	S	39.9	Very low	33.1	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	78%	0.783	S	S	*	*			cis	-172.8	169.3	21	57.8	0	0	0	0	114.5
364	K	34.8	Very low	33	Very low	209 Å²	209	152.7 Å²	152.7	91%	0.909	79%	0.793	S	S	*	*			trans	68.2	151.6	163.3	-60.3	170.4	-179.9	178.5	0	116
365	G	31.9	Very low	32.9	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	78%	0.784	S	S	*	*			cis	152.2	160.4	0.3	0	0	0	0	0	110
366	T	32.9	Very low	32.8	Very low	123 Å²	123	147 Å²	147	76%	0.755	79%	0.79	S	S	*	*			cis	-171.7	137.3	-6.1	-73.5	0	0	0	0	110
367	K	30.6	Very low	32.5	Very low	193 Å²	193	147.8 Å²	147.8	84%	0.839	80%	0.802	S	S	*	*			trans	67.4	159.2	174	-68.9	172.7	-178.6	-174.6	0	115.9
368	Q	32.9	Very low	32.1	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	81%	0.811	S	S	*	*			cis	-150.5	164.3	19.7	-154.3	160.8	-14.4	0	0	112.2
369	E	26.9	Very low	32.5	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	82%	0.818	S	S	*	*			trans	-78.7	155	177.1	-64.2	160.4	108.7	0	0	113
370	E	33.3	Very low	32.6	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	82%	0.818	S	S	*	*				-177.1	121.3	122.4	-100.4	174.3	-157.7	0	0	114.8
371	T	28.8	Very low	32.6	Very low	111 Å²	111	146.7 Å²	146.7	68%	0.681	81%	0.808	S	S	*	*			trans	20.6	132.7	143	46	0	0	0	0	125.6
372	F	28.9	Very low	32.8	Very low	206 Å²	206	147.6 Å²	147.6	90%	0.904	81%	0.812	S	S	*	*			trans	52.6	118.7	139.7	-77.6	-89.7	0	0	0	122.7
373	A	35.6	Very low	33	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	81%	0.81	S	S	*	*				-169.4	147	120.7	0	0	0	0	0	114.7
374	K	29	Very low	33	Very low	218 Å²	218	150.2 Å²	150.2	95%	0.948	82%	0.821	S	S	*	*			trans	-58.7	148.3	171.6	-77.4	164.8	168.4	167.3	0	113.5
375	G	32.3	Very low	33.1	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	81%	0.812	S	S	*	*			trans	-174.8	61.7	173	0	0	0	0	0	119.6
376	T	30.5	Very low	33.4	Very low	129 Å²	129	153.1 Å²	153.1	79%	0.791	82%	0.816	S	S	*	*			trans	38.3	111.3	140.2	-44.9	0	0	0	0	122.4
377	C	26.4	Very low	33.7	Very low	117 Å²	117	155.8 Å²	155.8	79%	0.791	82%	0.817	S	S	*	*			trans	43.2	127.6	140.1	-56.4	0	0	0	0	123.3
378	R	33.3	Very low	34	Very low	251 Å²	251	150.6 Å²	150.6	95%	0.947	82%	0.818	S	S	*	*				-160.9	142.8	117	-118	177.9	176	-168.9	-0.8	114.6
379	P	37.8	Very low	34.1	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	82%	0.818	S	S	*	*			trans	-108.9	160.7	-178.8	40	-33.6	0	0	0	114.8
380	S	36	Very low	34.8	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	82%	0.824	S	S	*	*			trans	-172.6	147.9	169.2	-179	0	0	0	0	110.6
381	A	37.6	Very low	34.8	Very low	74 Å²	74	150.1 Å²	150.1	61%	0.612	82%	0.824	S	S	*	*			cis	-171.8	166.5	-25.2	0	0	0	0	0	110.4
382	K	37.6	Very low	35.1	Very low	212 Å²	212	153.9 Å²	153.9	92%	0.922	83%	0.831	S	S	*	*			trans	72.5	136.3	164.6	-54.4	172.9	-178.9	175.3	0	117.7
383	G	35.6	Very low	35.3	Very low	73 Å²	73	155.7 Å²	155.7	75%	0.753	83%	0.831	S	S	*	*			cis	131.6	125.1	-16.6	0	0	0	0	0	116.6
384	K	40.1	Very low	35.3	Very low	208 Å²	208	155.7 Å²	155.7	90%	0.904	83%	0.826	S	S	*	*			trans	-173.8	113	153.8	-102.3	174.5	179.8	-178.1	0	106.2
385	R	37.4	Very low	35.5	Very low	192 Å²	192	155 Å²	155	73%	0.725	82%	0.823	S	S	*	*				67.4	107.9	55.6	-81.2	-173	61.4	168.2	-7	115.6
386	N	38.8	Very low	36.1	Very low	147 Å²	147	157.2 Å²	157.2	79%	0.786	82%	0.824	S	S	*	*				-167.3	174.3	102.4	-91.5	-19.6	0	0	0	111.2
387	K	38.4	Very low	36.2	Very low	178 Å²	178	156.4 Å²	156.4	77%	0.774	82%	0.823	S	S	*	*				-167.2	124.5	-66.8	-172.2	-169.8	-175.3	-162.1	0	107.3
388	G	37.1	Very low	36.6	Very low	84 Å²	84	155.3 Å²	155.3	87%	0.866	82%	0.816	S	S	*	*			trans	169.1	115.1	171.9	0	0	0	0	0	114.3
389	G	34.4	Very low	36.7	Very low	81 Å²	81	148.4 Å²	148.4	84%	0.835	81%	0.807	S	S	*	*			trans	-179.8	157.3	172.3	0	0	0	0	0	111.4
390	R	42.1	Very low	36.7	Very low	257 Å²	257	150.7 Å²	150.7	97%	0.97	81%	0.807	S	S	*	*			trans	-145.8	145.1	168	-158.4	166.6	173.2	171.6	-4.7	110
391	K	33.8	Very low	36.7	Very low	196 Å²	196	154 Å²	154	85%	0.852	81%	0.809	S	S	*	*			trans	-141.3	170.4	-162.4	-128.4	-174.2	-173.5	179.5	0	110.2
392	K	35.5	Very low	36.8	Very low	190 Å²	190	158.2 Å²	158.2	83%	0.826	82%	0.821	S	S	*	*			trans	95.8	129.3	165.4	-53.3	-175.4	178	-176.6	0	114.4
393	R	31.6	Very low	36.7	Very low	243 Å²	243	156.9 Å²	156.9	92%	0.917	82%	0.818	S	S	*	*			cis	64.6	133.1	48.8	-75.4	-171.7	165.9	-169.8	-4.2	111.5
394	S	35.2	Very low	36.6	Very low	103 Å²	103	156.7 Å²	156.7	72%	0.72	82%	0.816	S	S	*	*			cis	-174.5	154.4	20.7	39.5	0	0	0	0	115.7
395	K	35.1	Very low	36.6	Very low	204 Å²	204	153.4 Å²	153.4	89%	0.887	82%	0.816	S	S	*	*			trans	80.6	157.4	145	-79.3	-169.7	173.8	-168.8	0	121.7
396	P	43.3	Very low	36.5	Very low	119 Å²	119	148 Å²	148	77%	0.773	82%	0.819	S	S	*	*			trans	-133.1	-162.8	-148.4	45.7	-27.8	0	0	0	116.8
397	S	33.6	Very low	36.2	Very low	111 Å²	111	148.3 Å²	148.3	78%	0.776	82%	0.822	S	S	*	*			trans	105.3	141	176.4	-157	0	0	0	0	113.2
398	S	34.8	Very low	36.2	Very low	94 Å²	94	149 Å²	149	66%	0.657	82%	0.824	S	S	*	*			cis	-165	158.8	-3.1	30.2	0	0	0	0	111.4
399	S	35.9	Very low	36.1	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	82%	0.819	S	S	*	*			trans	60	153.7	149.6	69.3	0	0	0	0	119
400	E	37.2	Very low	35.9	Very low	171 Å²	171	157 Å²	157	80%	0.799	82%	0.818	S	S	*	*			cis	-139	144.7	12.7	-68.6	170.3	161.2	0	0	112.4
401	E	36.4	Very low	35.5	Very low	191 Å²	191	154.6 Å²	154.6	89%	0.893	81%	0.814	S	S	*	*			trans	26.6	129	131.7	-53	-179.3	177.7	0	0	123.2
402	D	38.1	Very low	35.3	Very low	161 Å²	161	150 Å²	150	86%	0.861	81%	0.812	S	S	*	*				-165.7	169.5	115.6	-154.3	-2.8	0	0	0	111.3
403	E	36.8	Very low	35.3	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	81%	0.813	S	S	*	*			trans	-93.9	174.5	-152.7	-58.9	-164.8	151.2	0	0	119
404	G	32.8	Very low	35.4	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	81%	0.81	S	S	*	*			trans	-101.4	-139.2	170.4	0	0	0	0	0	112.1
405	P	40.3	Very low	35.3	Very low	140 Å²	140	151.5 Å²	151.5	91%	0.909	82%	0.82	S	S	*	*			cis	-129.3	-175.2	-21.7	40.4	-24.6	0	0	0	112.5
406	G	35.8	Very low	35.1	Very low	77 Å²	77	153.1 Å²	153.1	79%	0.794	82%	0.821	S	S	*	*			trans	168.3	128.7	165.8	0	0	0	0	0	117.7
407	D	32.5	Very low	34.8	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	82%	0.816	S	S	*	*			trans	-70.7	149.9	-179.4	-62.1	-68.1	0	0	0	115.4
408	K	38	Very low	34.8	Very low	192 Å²	192	155.7 Å²	155.7	84%	0.835	82%	0.819	S	S	*	*				173.9	119.9	110.7	-93.2	159.3	-173.5	172.9	0	115.4
409	Q	35	Very low	34.7	Very low	162 Å²	162	154.8 Å²	154.8	76%	0.757	82%	0.824	S	S	*	*				56.6	114.9	123.5	-151.9	166	16.4	0	0	121.4
410	E	29.4	Very low	34.7	Very low	171 Å²	171	161.9 Å²	161.9	80%	0.799	84%	0.835	S	S	*	*			trans	14.8	128.9	145.5	-56.2	179.7	123.4	0	0	120.8
411	K	34.4	Very low	34.5	Very low	207 Å²	207	162.9 Å²	162.9	90%	0.9	84%	0.839	S	S	*	*			trans	-152.5	127.7	130.7	-117.5	163.5	-171	172	0	112.8
412	A	29.1	Very low	34.5	Very low	98 Å²	98	165.2 Å²	165.2	81%	0.81	84%	0.84	S	S	*	*			trans	-77.1	146.8	175.2	0	0	0	0	0	111.6
413	T	35.4	Very low	34.4	Very low	138 Å²	138	169 Å²	169	85%	0.847	84%	0.842	S	S	*	*			trans	-137.3	117.8	162.9	-44.8	0	0	0	0	110.1
414	Q	33.1	Very low	34.2	Very low	183 Å²	183	167.3 Å²	167.3	86%	0.855	84%	0.844	S	S	*	*			trans	-76.4	140.3	-179.3	-63.7	174.1	-11.3	0	0	111.8
415	R	33.2	Very low	34.4	Very low	248 Å²	248	168.2 Å²	168.2	94%	0.936	85%	0.845	S	S	*	*			trans	-137.1	110.8	153	-77.4	-168	169.2	-172.9	-3.4	111
416	R	31.2	Very low	34.1	Very low	238 Å²	238	167 Å²	167	90%	0.898	84%	0.84	S	S	*	*			trans	-78.4	166.9	154	-85	-173.2	179	-163.5	1.8	107.9
417	P	37.4	Very low	34.1	Very low	102 Å²	102	174.7 Å²	174.7	66%	0.662	85%	0.845	S	S	*	*			cis	-155.7	-174.2	41.8	43.1	-20	0	0	0	119.9
418	H	33.9	Very low	34.1	Very low	182 Å²	182	172.3 Å²	172.3	84%	0.843	84%	0.836	S	S	*	*			trans	63.6	102.6	158.1	-58	-52.9	0	0	0	122
419	G	31.9	Very low	33.8	Very low	75 Å²	75	168.3 Å²	168.3	77%	0.773	83%	0.832	S	S	*	*				86.7	98.7	102.2	0	0	0	0	0	120.3
420	R	37.4	Very low	33.7	Very low	256 Å²	256	170.5 Å²	170.5	97%	0.966	84%	0.835	S	S	*	*				-166.1	138.2	129.5	-111.6	173.3	-179.2	-168.3	0.1	111.8
421	E	31.5	Very low	34	Very low	192 Å²	192	170.5 Å²	170.5	90%	0.897	83%	0.832	S	S	*	*			trans	-71.7	135.7	177.3	-62.7	167.9	101.5	0	0	111.9
422	R	37	Very low	34	Very low	240 Å²	240	168.2 Å²	168.2	91%	0.906	83%	0.825	S	S	*	*			trans	-156.3	107.2	149	-123.5	173.2	-176.1	178.7	1.1	114
423	R	37.2	Very low	34.3	Very low	241 Å²	241	170.6 Å²	170.6	91%	0.909	82%	0.819	S	S	*	*			trans	38.9	107.2	147.6	-61.6	-170.2	176.7	-139.2	-3.4	118.1
424	V	31.9	Very low	34.6	Very low	148 Å²	148	170.1 Å²	170.1	90%	0.897	82%	0.821	S	S	*	*			trans	-59.7	127.1	164.9	175.8	0	0	0	0	111.3
425	A	35.8	Very low	34.5	Very low	88 Å²	88	165.2 Å²	165.2	73%	0.727	82%	0.82	S	S	*	*			trans	-124.2	133.2	152.4	0	0	0	0	0	107.1	R427	A425-R427 PolarHBondContact O-N 3.28Å; A425-R427 VanDerWaalsContact O-N 3.1Å
426	S	35.4	Very low	34.7	Very low	113 Å²	113	159 Å²	159	79%	0.79	81%	0.814	S	S	*	*			trans	-67.6	106.7	-171.5	48.7	0	0	0	0	111.9
427	R	34.4	Very low	34.8	Very low	239 Å²	239	154.9 Å²	154.9	90%	0.902	81%	0.81	S	S	*	*			trans	-81.7	110.2	163.2	-80.5	-179	161.5	177.7	-6	108.9	A425	A425-R427 PolarHBondContact O-N 3.28Å; A425-R427 VanDerWaalsContact O-N 3.1Å
428	V	33.1	Very low	34.9	Very low	105 Å²	105	158.5 Å²	158.5	64%	0.636	82%	0.818	S	S	*	*			trans	-81.5	120.1	157.4	-177.2	0	0	0	0	106.9	Y430	V428-Y430 HydrophobicContact CG1-CD1 4.48Å; V428-Y430 HydrophobicContact CG1-CD2 4.43Å; V428-Y430 HydrophobicContact CG1-CE1 3.85Å; V428-Y430 HydrophobicContact CG1-CE2 3.8Å; V428-Y430 VanDerWaalsContact CG1-CZ 3.47Å
429	S	31.1	Very low	35.1	Very low	109 Å²	109	154 Å²	154	76%	0.762	81%	0.813	S	S	*	*			trans	-113.9	117.6	175.7	53.6	0	0	0	0	109.1
430	Y	33.9	Very low	35	Very low	208 Å²	208	154.4 Å²	154.4	82%	0.816	82%	0.816	S	S	*	*			trans	-88.3	139.5	170.8	-55.1	-77.4	0	0	0	109.5	V428	V428-Y430 HydrophobicContact CG1-CD1 4.48Å; V428-Y430 HydrophobicContact CG1-CD2 4.43Å; V428-Y430 HydrophobicContact CG1-CE1 3.85Å; V428-Y430 HydrophobicContact CG1-CE2 3.8Å; V428-Y430 VanDerWaalsContact CG1-CZ 3.47Å
431	K	35.2	Very low	35	Very low	171 Å²	171	148.2 Å²	148.2	74%	0.743	81%	0.812	S	S	*	*			trans	-92.5	113.7	176	-173.2	-169.2	-175.2	-163.4	0	107.3	E433	K431-E433 HydrophobicContact CD-CG 4.29Å; K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 HydrophobicContact CG-CG 4.42Å; K431-E433 IonicContact NZ-OE1 2.6Å; K431-E433 PolarHBondContact NZ-OE1 2.93Å
432	E	35.8	Very low	34.9	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	80%	0.798	S	S	*	*			trans	-75.8	126.2	166.1	-71.4	176.8	153.2	0	0	107.5	R713	E432-R713 IonicContact OE1-CZ 3.91Å; E432-R713 IonicContact OE1-NH2 3.78Å; E432-R713 PolarHBondContact OE1-NH2 2.87Å
433	E	35.1	Very low	34.6	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.692	79%	0.791	S	S	*	*			trans	-108.2	127.3	164.8	-71.5	-169	167.5	0	0	108.9	K431	K431-E433 HydrophobicContact CD-CG 4.29Å; K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 HydrophobicContact CG-CG 4.42Å; K431-E433 IonicContact NZ-OE1 2.6Å; K431-E433 PolarHBondContact NZ-OE1 2.93Å
434	S	40.6	Very low	34.6	Very low	127 Å²	127	131.5 Å²	131.5	89%	0.888	79%	0.787	S	S	*	*			trans	-67.4	140.6	177.2	-64.1	0	0	0	0	110.8
435	G	31.5	Very low	34.4	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	78%	0.782	S	S	*	*			trans	-78.5	163.5	-176.7	0	0	0	0	0	115.1
436	S	37.5	Very low	34.4	Very low	116 Å²	116	137.5 Å²	137.5	81%	0.811	79%	0.788	S	S	*	*			trans	-147.3	131.7	147.6	58	0	0	0	0	107.3
437	D	33.2	Very low	34.1	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	79%	0.789	S	S	*	*			trans	-63.5	147.8	-178.9	-51.7	-81.2	0	0	0	112.5
438	E	38.8	Very low	34.1	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	79%	0.785	S	S	*	*				175.9	150.1	121	-94.1	-58.3	164.1	0	0	113.3
439	A	38.2	Very low	34.1	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	80%	0.795	S	S	*	*			trans	19.3	112.9	164.5	0	0	0	0	0	121.3
440	G	30.8	Very low	34.2	Very low	82 Å²	82	132.6 Å²	132.6	85%	0.845	79%	0.794	S	S	*	*			trans	-78.5	173.6	174	0	0	0	0	0	117.7
441	S	36.7	Very low	34.3	Very low	126 Å²	126	132.1 Å²	132.1	88%	0.881	80%	0.799	S	S	*	*			trans	-158.4	149.4	152.4	-173.5	0	0	0	0	108.8
442	G	29.8	Very low	34	Very low	57 Å²	57	128.7 Å²	128.7	59%	0.588	80%	0.802	S	S	*	*			trans	-91.5	-165.2	-177.1	0	0	0	0	0	114.7
443	S	31.5	Very low	34	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	81%	0.806	S	S	*	*			trans	62.6	133.2	-176.1	40.3	0	0	0	0	114.9
444	D	37.2	Very low	33.8	Very low	155 Å²	155	127.2 Å²	127.2	83%	0.829	81%	0.814	S	S	*	*			cis	-142.7	157.9	2.8	-78.7	-46.9	0	0	0	111.1
445	F	27.5	Very low	33.6	Very low	178 Å²	178	126.5 Å²	126.5	78%	0.781	81%	0.806	S	S	*	*			trans	-126.7	99.5	168.3	-179.3	-101.6	0	0	0	109.8	L447	F445-L447 HydrophobicContact CD1-CG 4.35Å; F445-L447 HydrophobicContact CE1-CD2 3.62Å; F445-L447 HydrophobicContact CE1-CG 3.74Å; F445-L447 HydrophobicContact CZ-CD2 4.09Å
446	E	35	Very low	33.7	Very low	184 Å²	184	128 Å²	128	86%	0.86	80%	0.804	S	S	*	*			trans	-86.4	130.4	165.4	-74.9	-157.3	140.6	0	0	110.8	S448	E446-S448 PolarHBondContact O-N 3.47Å
447	L	29.3	Very low	33.6	Very low	153 Å²	153	127.8 Å²	127.8	80%	0.801	79%	0.793	S	S	*	*			trans	-76.2	115.4	171.6	-78.9	158.7	0	0	0	109.8	F445	F445-L447 HydrophobicContact CD1-CG 4.35Å; F445-L447 HydrophobicContact CE1-CD2 3.62Å; F445-L447 HydrophobicContact CE1-CG 3.74Å; F445-L447 HydrophobicContact CZ-CD2 4.09Å
448	S	34.1	Very low	33.7	Very low	117 Å²	117	129 Å²	129	82%	0.818	79%	0.794	S	S	*	*			trans	-105.1	129.2	162.4	-167.9	0	0	0	0	110.6	E446	E446-S448 PolarHBondContact O-N 3.47Å
449	S	32.8	Very low	33.6	Very low	122 Å²	122	126.9 Å²	126.9	85%	0.853	79%	0.789	S	S	*	*			trans	-65	137.2	-171.2	51.8	0	0	0	0	114.1
450	G	33.8	Very low	33.5	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	79%	0.79	S	S	*	*			trans	-164.5	72.4	178.2	0	0	0	0	0	114.8
451	E	36	Very low	33.7	Very low	198 Å²	198	132.5 Å²	132.5	93%	0.925	79%	0.79	S	S	*	*			trans	58.4	124.2	158.8	-57.3	-167.8	132.3	0	0	120.4
452	A	29.5	Very low	33.8	Very low	98 Å²	98	132.6 Å²	132.6	81%	0.81	79%	0.787	S	S	*	*			trans	-75.2	154.3	176.2	0	0	0	0	0	113.2
453	S	34.9	Very low	34.1	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	79%	0.789	S	S	*	*			trans	-152.6	107.4	164.5	-77.4	0	0	0	0	110.4
454	D	30.8	Very low	34.5	Very low	159 Å²	159	133 Å²	133	85%	0.85	79%	0.788	S	S	*	*			trans	-56.8	134.9	179.8	-79.2	-59.3	0	0	0	113.7	S456	D454-S456 PolarHBondContact O-N 2.89Å
455	P	37.2	Very low	34.6	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	79%	0.788	S	S	*	*			trans	-84.7	101.7	159.9	32.5	-28	0	0	0	109.6	D457	P455-D457 PolarHBondContact O-N 3.48Å; P455-D457 VanDerWaalsContact O-N 3.1Å
456	S	32.9	Very low	34.9	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	79%	0.793	S	S	*	*			trans	-71.1	101.6	173	60.7	0	0	0	0	111.4	D454 E458	D454-S456 PolarHBondContact O-N 2.89Å; S456-E458 PolarHBondContact O-N 3.48Å
457	D	36.4	Very low	35.3	Very low	111 Å²	111	132.7 Å²	132.7	59%	0.594	79%	0.792	S	S	*	*			trans	-62.9	111.7	169.3	-82.4	-25.8	0	0	0	110.5	P455 R784	P455-D457 PolarHBondContact O-N 3.48Å; P455-D457 VanDerWaalsContact O-N 3.1Å; D457-R784 IonicContact OD2-CZ 2.75Å; D457-R784 IonicContact OD2-NH1 3.68Å; D457-R784 PolarHBondContact OD2-NH1 3.3Å; D457-R784 IonicContact OD2-NH2 2.96Å; D457-R784 PolarHBondContact OD2-NH2 2.99Å
458	E	35.4	Very low	35.7	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	80%	0.799	S	S	*	*			trans	-102.7	95	161.5	-82	-129	120.4	0	0	110.3	S456 S460	S456-E458 PolarHBondContact O-N 3.48Å; E458-S460 PolarHBondContact O-N 3.3Å
459	D	36.1	Very low	35.8	Very low	135 Å²	135	141.1 Å²	141.1	72%	0.722	80%	0.801	S	S	*	*			trans	-60.5	102.7	166.9	-89.5	-41.1	0	0	0	110.3	R781	D459-R781 IonicContact OD2-NH1 3.59Å
460	S	35	Very low	36.1	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	80%	0.795	S	S	*	*			trans	-97.2	100.3	166.2	-72.4	0	0	0	0	110	E458	E458-S460 PolarHBondContact O-N 3.3Å
461	E	36.1	Very low	36.4	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	80%	0.798	S	S	*	*			trans	-58.4	139.7	175.1	-70.3	-159.8	142.7	0	0	112.1	G463	E461-G463 PolarHBondContact O-N 2.71Å
462	P	39.3	Very low	36.3	Very low	128 Å²	128	137 Å²	137	83%	0.831	79%	0.79	S	S	*	*			trans	-73.4	90.7	173.9	30.7	-33.6	0	0	0	110.4
463	G	34.8	Very low	37	Very low	60 Å²	60	138.6 Å²	138.6	62%	0.619	79%	0.792	S	S	*	*			trans	-58.8	148.5	171.1	0	0	0	0	0	112.3	E461	E461-G463 PolarHBondContact O-N 2.71Å
464	P	41.4	Very low	37.3	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	80%	0.796	S	S	*	*			trans	-63.4	149.3	-173	26.3	-35.5	0	0	0	112.3	K466	P464-K466 PolarHBondContact O-N 3.24Å
465	P	38.4	Very low	37.4	Very low	127 Å²	127	145.4 Å²	145.4	83%	0.825	80%	0.796	S	S	*	*			trans	-64	113.5	-174.2	25.4	-34.1	0	0	0	111.2	Q467	P465-Q467 PolarHBondContact O-N 2.76Å; P465-Q467 VanDerWaalsContact O-N 3.14Å
466	K	34.7	Very low	37.7	Very low	202 Å²	202	146.5 Å²	146.5	88%	0.878	80%	0.801	S	S	*	*			trans	-60.5	117.1	172	-85.8	-179.4	176	172.4	0	109.9	P464 R468	P464-K466 PolarHBondContact O-N 3.24Å; K466-R468 PolarHBondContact O-N 3.38Å
467	Q	42	Very low	37.9	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	80%	0.803	S	S	*	*			trans	-52.1	119.5	170.2	-68.6	177	-20.8	0	0	110.5	P465 K469	P465-Q467 PolarHBondContact O-N 2.76Å; P465-Q467 VanDerWaalsContact O-N 3.14Å; Q467-K469 PolarHBondContact O-N 3.18Å; Q467-K469 VanDerWaalsContact O-N 3.13Å
468	R	37.6	Very low	38.1	Very low	249 Å²	249	150.3 Å²	150.3	94%	0.94	82%	0.819	S	S	*	*			trans	-72.1	103.8	168.5	-67.8	177.7	80.1	175.7	5	108.1	K466 A470	K466-R468 PolarHBondContact O-N 3.38Å; R468-A470 PolarHBondContact O-N 2.88Å
469	K	36.8	Very low	38.2	Very low	198 Å²	198	145.1 Å²	145.1	86%	0.861	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.3	121.7	166	-73.3	-175.5	175.2	-178	0	108.8	Q467	Q467-K469 PolarHBondContact O-N 3.18Å; Q467-K469 VanDerWaalsContact O-N 3.13Å
470	A	38.4	Very low	38.3	Very low	89 Å²	89	144.2 Å²	144.2	74%	0.736	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.9	147.1	166.7	0	0	0	0	0	110	R468	R468-A470 PolarHBondContact O-N 2.88Å
471	P	40.2	Very low	38.5	Very low	125 Å²	125	148.5 Å²	148.5	81%	0.812	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-74.7	135.3	176	31	-33.3	0	0	0	110.7
472	A	35.1	Very low	38.6	Very low	92 Å²	92	145 Å²	145	76%	0.76	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.4	127.6	172.4	0	0	0	0	0	110.5
473	P	44.9	Very low	38.4	Very low	130 Å²	130	143.4 Å²	143.4	84%	0.844	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-76.5	158.2	169.5	31.3	-32.3	0	0	0	111.8
474	Q	40.6	Very low	38.6	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86.5	168.3	-161.8	-69.2	172	-47.7	0	0	115.7
475	R	33.3	Very low	38.1	Very low	225 Å²	225	152.1 Å²	152.1	85%	0.849	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.8	-174.8	-60.3	150	65	-172.7	5.5	114.4
476	T	42.1	Very low	38	Very low	136 Å²	136	152.8 Å²	152.8	83%	0.834	84%	0.837	S	S	*	*			trans	-139.1	99.4	141.4	46	0	0	0	0	107.3
477	K	38.4	Very low	38	Very low	189 Å²	189	151.5 Å²	151.5	82%	0.822	83%	0.834	S	S	*	*				71.7	133	88.4	-85.7	-166.3	175.3	-177.3	0	114.8
478	A	39.3	Very low	37.6	Very low	113 Å²	113	154.7 Å²	154.7	93%	0.934	84%	0.838	S	S	*	*			trans	67.5	138.8	-176.9	0	0	0	0	0	116
479	G	37.3	Very low	37.4	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	83%	0.831	S	S	*	*			cis	-177.5	115.9	-9	0	0	0	0	0	113.5
480	S	38.9	Very low	37.4	Very low	116 Å²	116	142 Å²	142	81%	0.811	83%	0.825	S	S	*	*			trans	28.8	115	145.8	-48.6	0	0	0	0	121.5
481	K	38.7	Very low	37.3	Very low	196 Å²	196	145 Å²	145	85%	0.852	82%	0.823	S	S	*	*				171.7	124.6	108.2	-93.4	172.7	-178.5	-178.5	0	115
482	S	38.3	Very low	37	Very low	106 Å²	106	148.1 Å²	148.1	74%	0.741	82%	0.819	S	S	*	*			trans	22.2	117.4	143.3	56.9	0	0	0	0	122.9
483	A	35.5	Very low	37	Very low	96 Å²	96	153.4 Å²	153.4	79%	0.793	83%	0.825	S	S	*	*				42.3	123.4	123.5	0	0	0	0	0	122.3
484	S	38.6	Very low	36.4	Very low	125 Å²	125	153.8 Å²	153.8	87%	0.874	82%	0.819	S	S	*	*				-177.9	159.3	113.6	41.3	0	0	0	0	112.6
485	R	31.6	Very low	36.5	Very low	234 Å²	234	150.3 Å²	150.3	88%	0.883	81%	0.814	S	S	*	*			trans	-82.2	136.1	174.6	-64.6	155	66.3	174.5	1.7	109.3
486	T	36.6	Very low	36.6	Very low	141 Å²	141	144.8 Å²	144.8	87%	0.865	81%	0.809	S	S	*	*			trans	-172	159.2	130.7	21.8	0	0	0	0	114.5
487	H	34.7	Very low	36.1	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.815	81%	0.812	S	S	*	*			trans	-52.1	171.8	-179.8	-71.3	-96.6	0	0	0	119.8
488	R	33.6	Very low	36.2	Very low	247 Å²	247	143.6 Å²	143.6	93%	0.932	81%	0.813	S	S	*	*			trans	75.5	96.9	154.7	-75.8	177.7	-178.8	-148.8	0.8	118
489	G	32.1	Very low	35.8	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	81%	0.811	S	S	*	*				97	161.4	91.5	0	0	0	0	0	119.6
490	S	37.1	Very low	35.7	Very low	104 Å²	104	144 Å²	144	73%	0.727	81%	0.81	S	S	*	*			trans	89.3	112.3	159.8	-153.6	0	0	0	0	120.1
491	H	36.4	Very low	35.5	Very low	151 Å²	151	143.8 Å²	143.8	70%	0.699	81%	0.809	S	S	*	*			trans	52.2	152.1	133.5	-71.2	-129.6	0	0	0	120.7
492	R	34.2	Very low	35.3	Very low	191 Å²	191	139.1 Å²	139.1	72%	0.721	80%	0.8	S	S	*	*			cis	-175.5	154.6	-19.4	-106.6	-167.7	-164.2	-156	5.6	104.8
493	K	35.6	Very low	35.1	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	80%	0.8	S	S	*	*			trans	178.7	115	137.2	-102.3	164.7	-176.5	-176.5	0	111.8
494	D	32	Very low	35.1	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	80%	0.796	S	S	*	*			trans	-83.3	170.8	165.3	-53.9	-72.8	0	0	0	111
495	P	42.1	Very low	34.7	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	79%	0.79	S	S	*	*			trans	-129.6	112.3	133.4	12.7	8.5	0	0	0	113.9
496	S	34.8	Very low	35	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	78%	0.784	S	S	*	*			trans	17.6	128.9	141.3	55.9	0	0	0	0	122.5
497	L	33.5	Very low	34.8	Very low	169 Å²	169	131.2 Å²	131.2	89%	0.885	78%	0.781	S	S	*	*			trans	-82.2	163.6	151.3	-64.9	166	0	0	0	111.8
498	P	40.5	Very low	34.9	Very low	131 Å²	131	133.1 Å²	133.1	85%	0.851	79%	0.787	S	S	*	*			trans	-118	157.9	145.9	36.2	-27.2	0	0	0	112.6
499	A	29.5	Very low	34.8	Very low	107 Å²	107	133.9 Å²	133.9	88%	0.884	79%	0.79	S	S	*	*			trans	-129	153.6	-174.2	0	0	0	0	0	113.2
500	A	36.5	Very low	34.9	Very low	85 Å²	85	133.7 Å²	133.7	70%	0.702	79%	0.788	S	S	*	*			trans	-157.9	115.5	166.4	0	0	0	0	0	107.3
501	S	33.6	Very low	34.8	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.796	S	S	*	*				54	130.5	84.7	70	0	0	0	0	113.6
502	S	35.8	Very low	34.6	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	80%	0.799	S	S	*	*			cis	-171.1	170.6	12.7	48.1	0	0	0	0	111.5
503	S	32.6	Very low	34.5	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	81%	0.81	S	S	*	*			trans	62	150.9	152.1	44.9	0	0	0	0	119.6
504	S	35	Very low	34.3	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	80%	0.8	S	S	*	*			cis	-170	149.3	-6.5	44	0	0	0	0	112.5
505	S	32.1	Very low	34.6	Very low	106 Å²	106	134 Å²	134	74%	0.741	81%	0.805	S	S	*	*			trans	46.1	120.7	144.4	63.9	0	0	0	0	123.4
506	S	36	Very low	34.1	Very low	110 Å²	110	136 Å²	136	77%	0.769	81%	0.808	S	S	*	*				176.5	95.8	121.8	41.7	0	0	0	0	111.3
507	S	32.5	Very low	34	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	81%	0.807	S	S	*	*				53.8	98.1	86.2	75.4	0	0	0	0	116.4
508	K	37.3	Very low	34	Very low	217 Å²	217	135.4 Å²	135.4	94%	0.943	81%	0.808	S	S	*	*			trans	-146.9	111.1	149	-117.6	169.1	-173.1	171.9	0	111.8
509	R	32.3	Very low	33.4	Very low	262 Å²	262	139.1 Å²	139.1	99%	0.989	81%	0.811	S	S	*	*			trans	-68	140.4	173.7	-81.8	167.6	151	171.9	-8.6	110.5
510	G	34.1	Very low	33.6	Very low	74 Å²	74	137.7 Å²	137.7	76%	0.763	80%	0.799	S	S	*	*			trans	-145.6	101.9	170	0	0	0	0	0	110.7	K512	G510-K512 PolarHBondContact O-N 3.11Å
511	K	35.5	Very low	33.2	Very low	208 Å²	208	142.9 Å²	142.9	90%	0.904	81%	0.809	S	S	*	*			trans	-68.4	107.8	-173.2	-163.1	172.3	-178.5	-179.4	0	109.8
512	K	31.4	Very low	33	Very low	174 Å²	174	146.8 Å²	146.8	76%	0.757	81%	0.812	S	S	*	*				54.7	108.5	94.7	-164	179.4	-174.6	-178	0	115.2	G510 C514	G510-K512 PolarHBondContact O-N 3.11Å; K512-C514 WeakPolarHBondContact CE-SG 3.37Å
513	M	32.8	Very low	32.8	Very low	193 Å²	193	152.9 Å²	152.9	95%	0.951	82%	0.82	S	S	*	*			trans	-142.4	128.6	148.1	-145.3	143.1	172.5	0	0	106.7
514	C	31.3	Very low	33	Very low	99 Å²	99	153.8 Å²	153.8	67%	0.669	83%	0.826	S	S	*	*			trans	-101.4	150.9	-172.2	-68.8	0	0	0	0	110.9	K512	K512-C514 WeakPolarHBondContact CE-SG 3.37Å
515	S	36.7	Very low	33.9	Very low	120 Å²	120	155.8 Å²	155.8	84%	0.839	83%	0.827	S	S	*	*			trans	-116.6	136.4	157.9	-177	0	0	0	0	107.5
516	D	32	Very low	35.8	Very low	163 Å²	163	154.6 Å²	154.6	87%	0.872	82%	0.824	S	S	*	*			trans	-70.4	161.9	-176.7	-67.1	-61.9	0	0	0	113.1
517	G	33.1	Very low	38	Very low	71 Å²	71	150.4 Å²	150.4	73%	0.732	80%	0.799	S	S	*	*			trans	153.8	80.6	179.6	0	0	0	0	0	112.3	K519	G517-K519 PolarHBondContact O-N 2.99Å
518	E	32.5	Very low	40.7	Very low	195 Å²	195	146 Å²	146	91%	0.911	77%	0.766	S	S	*	*			trans	-6	109.6	175	-65.5	175.3	119	0	0	118	A520	E518-A520 PolarHBondContact O-N 3.19Å
519	K	28.7	Very low	43.3	Very low	208 Å²	208	137.7 Å²	137.7	90%	0.904	73%	0.732	S	S	*	*			trans	-90.7	80.9	157.3	-73.2	-172.2	176.7	-175.2	0	110.1	G517	G517-K519 PolarHBondContact O-N 2.99Å
520	A	33.1	Very low	46.3	Very low	77 Å²	77	125.4 Å²	125.4	64%	0.636	69%	0.685	S	S	*	*			trans	-65.6	140.6	153.8	0	0	0	0	0	108.9	E518 K522	E518-A520 PolarHBondContact O-N 3.19Å; A520-K522 VanDerWaalsContact C-N 3.34Å; A520-K522 PolarHBondContact O-N 3.29Å
521	E	28.4	Very low	49.2	Very low	195 Å²	195	122 Å²	122	91%	0.911	65%	0.65	S	S	*	*			trans	-69.4	86.8	-178.9	-64.8	-173.2	144.9	0	0	111	R523	E521-R523 VanDerWaalsContact C-N 3.32Å; E521-R523 PolarHBondContact O-N 3.49Å
522	K	30.8	Very low	52.2	Low	193 Å²	193	112.1 Å²	112.1	84%	0.839	61%	0.607	S	S	*	*			trans	-68	90.1	174.9	-70.7	-171.1	178.2	-173.6	0	110.8	A520	A520-K522 VanDerWaalsContact C-N 3.34Å; A520-K522 PolarHBondContact O-N 3.29Å
523	R	30.3	Very low	55.3	Low	226 Å²	226	103.9 Å²	103.9	85%	0.853	57%	0.571	S	S	*	*			trans	-44.2	137.2	134.9	-67	-179.3	178.2	178	-0.6	106.8	E521 I525	E521-R523 VanDerWaalsContact C-N 3.32Å; E521-R523 PolarHBondContact O-N 3.49Å; R523-I525 PolarHBondContact O-N 2.99Å
524	S	36.6	Very low	58.3	Low	124 Å²	124	94.7 Å²	94.7	87%	0.867	53%	0.526	S	S	*	.			trans	-70.9	84.4	177.9	56.2	0	0	0	0	109.3	A526	S524-A526 PolarHBondContact O-N 2.81Å
525	I	54.9	Low	61.3	Low	143 Å²	143	91.1 Å²	91.1	73%	0.733	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-54.4	123.3	169.3	-58.1	169	0	0	0	106	R523	R523-I525 PolarHBondContact O-N 2.99Å
526	A	72	Confident	64	Low	82 Å²	82	85.4 Å²	85.4	68%	0.678	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.4	176	0	0	0	0	0	108.8	S524	S524-A526 PolarHBondContact O-N 2.81Å
527	G	81.7	Confident	66.6	Low	22 Å²	22	81.6 Å²	81.6	23%	0.227	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-69	149.3	178.6	0	0	0	0	0	110.7	D529 Y561 T563	G527-D529 PolarHBondContact O-N 2.97Å; G527-Y561 CarbonylContact C-O 3.58Å; G527-Y561 WeakPolarHBondContact CA-O 3.49Å; G527-T563 VanDerWaalsContact CA-OG1 3.24Å; G527-T563 WeakPolarHBondContact CA-OG1 3.45Å; G527-T563 PolarHBondContact N-OG1 3.31Å; G527-T563 PolarHBondContact O-OG1 2.94Å
528	I	89.1	Confident	69.1	Low	20 Å²	20	83.9 Å²	83.9	10%	0.103	43%	0.428	C	S	.	.			trans	-83.2	98.1	176.8	-51.5	-165.3	0	0	0	108.2	D295 Q530 V548 H549 Y561 A562	D295-I528 HydrophobicContact CB-CD1 4.16Å; I528-Q530 VanDerWaalsContact C-N 3.3Å; I528-Q530 WeakPolarHBondContact CG2-O 3.39Å; I528-Q530 PolarHBondContact O-N 3.44Å; I528-V548 HydrophobicContact CD1-CB 3.72Å; I528-V548 HydrophobicContact CD1-CG1 3.53Å; I528-V548 HydrophobicContact CD1-CG2 3.95Å; I528-V548 HydrophobicContact CG2-CG2 4.49Å; I528-H549 VanDerWaalsContact CD1-CE1 3.46Å; I528-H549 WeakPolarHBondContact CD1-CE1 3.19Å; I528-Y561 PolarHBondContact N-O 2.82Å; I528-A562 WeakPolarHBondContact O-CA 3.41Å
529	D	92.9	Very high	71.7	Confident	42 Å²	42	78.4 Å²	78.4	23%	0.225	40%	0.402	C	S	.	.			trans	-87.8	9.9	-176.3	-72.8	-49.9	0	0	0	113.9	S318 Q320 G527 T563	S318-D529 PolarHBondContact N-O 2.87Å; Q320-D529 PolarHBondContact NE2-OD1 2.89Å; G527-D529 PolarHBondContact O-N 2.97Å; D529-T563 VanDerWaalsContact OD1-CB 3.25Å; D529-T563 WeakPolarHBondContact OD1-CB 3.41Å; D529-T563 PolarHBondContact OD1-N 2.81Å; D529-T563 PolarHBondContact OD1-OG1 3.27Å; D529-T563 WeakPolarHBondContact OD2-CB 3.41Å; D529-T563 PolarHBondContact OD2-OG1 2.82Å
530	Q	94.6	Very high	74.5	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.019	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.1	172.2	61	169.7	47.3	0	0	113.7	E296 V299 H300 V316 L317 I528	E296-Q530 VanDerWaalsContact CA-NE2 3.35Å; E296-Q530 HydrophobicContact CG-CG 4.25Å; E296-Q530 PolarHBondContact O-NE2 2.99Å; V299-Q530 HydrophobicContact CG1-CG 4.33Å; H300-Q530 PolarHBondContact CE1-NE2 3.01Å; H300-Q530 VanDerWaalsContact CE1-NE2 3.26Å; H300-Q530 PolarHBondContact ND1-NE2 2.96Å; V316-Q530 VanDerWaalsContact O-CA 3.28Å; V316-Q530 WeakPolarHBondContact O-CA 3.36Å; L317-Q530 HydrophobicContact CD2-CB 3.67Å; I528-Q530 VanDerWaalsContact C-N 3.3Å; I528-Q530 WeakPolarHBondContact CG2-O 3.39Å; I528-Q530 PolarHBondContact O-N 3.44Å
531	W	95.7	Very high	77.4	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-175.1	176.7	60.2	87.4	0	0	0	108.5	V316 C558 A562 M566 V569 Y585	V316-W531 WeakPolarHBondContact CA-O 3.29Å; V316-W531 HydrophobicContact CB-CD2 4.46Å; V316-W531 HydrophobicContact CB-CG 4.38Å; V316-W531 WeakPolarHBondContact CB-O 3.32Å; V316-W531 HydrophobicContact CG1-CD2 4.38Å; V316-W531 HydrophobicContact CG1-CZ2 3.66Å; V316-W531 PolarHBondContact N-O 3.01Å; V316-W531 PolarHBondContact O-N 3.03Å; V316-W531 VanDerWaalsContact O-O 3.07Å; W531-C558 HydrophobicContact CD2-CB 4.15Å; W531-C558 HydrophobicContact CE3-CB 4.47Å; W531-C558 HydrophobicContact CZ2-CB 4.43Å; W531-A562 HydrophobicContact CZ3-CB 4.06Å; W531-M566 HydrophobicContact CH2-CE 3.66Å; W531-M566 HydrophobicContact CZ3-CE 4.29Å; W531-V569 HydrophobicContact CH2-CG1 3.96Å; W531-V569 HydrophobicContact CH2-CG2 4.48Å; W531-V569 HydrophobicContact CZ2-CG1 3.66Å; W531-Y585 AromaticContact CE2-CD1 3.95Å; W531-Y585 AromaticContact CE2-CE1 3.64Å; W531-Y585 AromaticContact CE2-CZ 3.82Å; W531-Y585 AromaticContact CZ2-CD1 3.63Å; W531-Y585 HydrophobicContact CZ2-CD1 3.63Å; W531-Y585 AromaticContact CZ2-CD2 3.86Å; W531-Y585 HydrophobicContact CZ2-CD2 3.86Å; W531-Y585 AromaticContact CZ2-CE1 3.77Å; W531-Y585 HydrophobicContact CZ2-CE1 3.77Å; W531-Y585 HydrophobicContact CZ2-CE2 4.02Å; W531-Y585 AromaticContact CZ2-CG 3.67Å; W531-Y585 HydrophobicContact CZ2-CG 3.67Å; W531-Y585 AromaticContact CZ2-CZ 3.98Å; W531-Y585 AromaticContact NE1-CD1 3.92Å; W531-Y585 AromaticContact NE1-CE1 3.13Å; W531-Y585 AromaticContact NE1-CE2 3.83Å; W531-Y585 AromaticContact NE1-CZ 3.09Å; W531-Y585 PolarHBondContact NE1-OH 3.09Å; W531-Y585 VanDerWaalsContact NE1-OH 3.12Å
532	L	97.1	Very high	80.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160	-173	-51	-175.4	0	0	0	112.8	V299 F302 L303 L306 R314 L315 C544 V545	V299-L532 HydrophobicContact CG1-CD2 3.65Å; V299-L532 HydrophobicContact CG1-CG 4.07Å; F302-L532 HydrophobicContact CB-CD1 4.41Å; F302-L532 HydrophobicContact CD1-CD1 3.64Å; F302-L532 HydrophobicContact CE1-CD1 4.37Å; F302-L532 HydrophobicContact CG-CD1 4.43Å; L303-L532 HydrophobicContact CB-CD1 3.8Å; L303-L532 HydrophobicContact CB-CD2 3.93Å; L303-L532 HydrophobicContact CD1-CD1 4.24Å; L303-L532 HydrophobicContact CD1-CD2 4.06Å; L303-L532 HydrophobicContact CD2-CD2 4.24Å; L303-L532 HydrophobicContact CG-CD2 4.3Å; L306-L532 HydrophobicContact CD1-CD1 3.59Å; R314-L532 WeakPolarHBondContact O-CA 3.41Å; L315-L532 HydrophobicContact CD1-CD2 3.89Å; L532-C544 CarbonylContact O-C 3.54Å; L532-C544 WeakPolarHBondContact O-CA 3.36Å; L532-V545 PolarHBondContact N-O 3.39Å; L532-V545 PolarHBondContact O-N 2.83Å
533	E	96.6	Very high	83.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	163.4	-84.4	171.7	-176.8	0	0	109.5	T313 R314 V316 W542 V543 C544 R584 Y585	T313-E533 WeakPolarHBondContact CA-O 3.25Å; R314-E533 HydrophobicContact CB-CB 4.16Å; R314-E533 WeakPolarHBondContact CD-OE2 3.36Å; R314-E533 PolarHBondContact N-O 2.75Å; R314-E533 IonicContact NH1-OE2 2.66Å; R314-E533 PolarHBondContact NH1-OE2 2.92Å; R314-E533 VanDerWaalsContact NH1-OE2 3.15Å; R314-E533 PolarHBondContact O-N 3.06Å; V316-E533 HydrophobicContact CG2-CB 4.01Å; V316-E533 HydrophobicContact CG2-CG 3.7Å; E533-W542 HydrophobicContact CB-CB 4.5Å; E533-W542 HydrophobicContact CB-CE3 3.9Å; E533-W542 HydrophobicContact CG-CB 4.47Å; E533-V543 WeakPolarHBondContact CA-O 3.48Å; E533-C544 HydrophobicContact CG-CB 4.44Å; E533-R584 WeakPolarHBondContact OE1-CD 3.37Å; E533-R584 IonicContact OE1-CZ 2.72Å; E533-R584 IonicContact OE1-NH1 3.47Å; E533-R584 PolarHBondContact OE1-NH1 3.39Å; E533-R584 IonicContact OE2-NH1 2.69Å; E533-R584 PolarHBondContact OE2-NH1 3.13Å; E533-Y585 VanDerWaalsContact CG-OH 3.26Å; E533-Y585 WeakPolarHBondContact CG-OH 3.41Å; E533-Y585 WeakPolarHBondContact OE1-CE2 3.34Å; E533-Y585 PolarHBondContact OE1-OH 2.54Å
534	V	96	Very high	86.7	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.8	173.5	-173.2	0	0	0	0	108.4	L254 L306 L311 T313 C536 V543 V545	L254-V534 HydrophobicContact CD1-CB 4.05Å; L254-V534 HydrophobicContact CD1-CG1 4.31Å; L254-V534 HydrophobicContact CD1-CG2 4.36Å; L254-V534 HydrophobicContact CD2-CB 4.43Å; L254-V534 HydrophobicContact CD2-CG1 4.26Å; L254-V534 HydrophobicContact CD2-CG2 4.13Å; L306-V534 HydrophobicContact CD1-CG2 3.87Å; L306-V534 HydrophobicContact CD2-CG2 4.27Å; L311-V534 HydrophobicContact CB-CG1 4.15Å; L311-V534 HydrophobicContact CD1-CG1 4.32Å; T313-V534 HydrophobicContact CG2-CG1 4.49Å; T313-V534 HydrophobicContact CG2-CG2 4.13Å; V534-C536 PolarHBondContact O-N 3.4Å; V534-V543 PolarHBondContact N-O 3.39Å; V534-V543 PolarHBondContact O-N 3.28Å; V534-V545 HydrophobicContact CG2-CG2 4.01Å
535	F	94.4	Very high	89.5	Confident	23 Å²	23	41.1 Å²	41.1	10%	0.101	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.5	173.6	-171.3	-104	0	0	0	110	L312 E537 E540 K541 W542 R617	L312-F535 HydrophobicContact CB-CB 4.15Å; L312-F535 HydrophobicContact CD2-CB 3.85Å; L312-F535 HydrophobicContact CD2-CD1 4.34Å; L312-F535 HydrophobicContact CD2-CG 4.18Å; L312-F535 HydrophobicContact CG-CB 4.39Å; L312-F535 PolarHBondContact O-N 2.96Å; F535-E537 HydrophobicContact CD1-CG 4.17Å; F535-E537 HydrophobicContact CE1-CG 4.28Å; F535-E537 PolarHBondContact O-N 2.9Å; F535-E540 VanDerWaalsContact CE2-C 3.45Å; F535-E540 WeakPolarHBondContact CE2-O 3Å; F535-E540 HydrophobicContact CZ-CB 4.34Å; F535-K541 WeakPolarHBondContact CA-O 3.16Å; F535-W542 HydrophobicContact CB-CD2 3.94Å; F535-W542 HydrophobicContact CB-CE3 3.71Å; F535-W542 HydrophobicContact CB-CH2 3.96Å; F535-W542 HydrophobicContact CB-CZ2 4.13Å; F535-W542 HydrophobicContact CB-CZ3 3.74Å; F535-W542 AromaticContact CD2-CD1 3.91Å; F535-W542 AromaticContact CD2-CD2 3.85Å; F535-W542 HydrophobicContact CD2-CD2 3.85Å; F535-W542 AromaticContact CD2-CE2 3.68Å; F535-W542 HydrophobicContact CD2-CE3 4.49Å; F535-W542 HydrophobicContact CD2-CG 4.02Å; F535-W542 HydrophobicContact CD2-CZ2 4.24Å; F535-W542 AromaticContact CD2-NE1 3.7Å; F535-W542 HydrophobicContact CG-CD2 4.39Å; F535-W542 HydrophobicContact CG-CZ2 4.46Å; F535-R617 HydrophobicContact CD2-CG 4.37Å; F535-R617 HydrophobicContact CE2-CG 3.7Å; F535-R617 HydrophobicContact CZ-CG 4.05Å
536	C	92.6	Very high	91.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.3	174	-66	0	0	0	0	109	V534 Q538 E539 E540 K541 V543	V534-C536 PolarHBondContact O-N 3.4Å; C536-Q538 VanDerWaalsContact C-N 3.27Å; C536-Q538 PolarHBondContact O-N 2.99Å; C536-E539 HydrophobicContact CB-CB 4.41Å; C536-E539 PolarHBondContact O-N 3.14Å; C536-E540 PolarHBondContact O-N 3.33Å; C536-K541 PolarHBondContact N-O 3.08Å; C536-K541 PolarHBondContact O-N 2.89Å; C536-V543 HydrophobicContact CB-CG2 4.27Å; C536-V543 VanDerWaalsContact SG-CG2 3.51Å
537	E	88.3	Confident	92.4	Very high	83 Å²	83	30.7 Å²	30.7	39%	0.388	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.2	-176.5	-65.8	-165.6	167	0	0	113	R247 F535 E539 E540	R247-E537 VanDerWaalsContact CG-OE2 3.27Å; R247-E537 WeakPolarHBondContact CG-OE2 3.24Å; R247-E537 IonicContact NE-OE2 2.87Å; F535-E537 HydrophobicContact CD1-CG 4.17Å; F535-E537 HydrophobicContact CE1-CG 4.28Å; F535-E537 PolarHBondContact O-N 2.9Å; E537-E539 VanDerWaalsContact C-N 3.35Å; E537-E539 PolarHBondContact O-N 3.12Å; E537-E540 PolarHBondContact O-N 3.03Å
538	Q	85	Confident	92.9	Very high	119 Å²	119	31.3 Å²	31.3	56%	0.556	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.5	178.3	-57.6	-166.7	-18.2	0	0	113.6	R247 C536	R247-Q538 WeakPolarHBondContact O-CG 3.38Å; R247-Q538 PolarHBondContact O-NE2 2.86Å; C536-Q538 VanDerWaalsContact C-N 3.27Å; C536-Q538 PolarHBondContact O-N 2.99Å
539	E	86	Confident	93	Very high	80 Å²	80	33.7 Å²	33.7	37%	0.374	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.8	-179.2	-63.2	-174.2	-159	0	0	112.5	C536 E537 K541	C536-E539 HydrophobicContact CB-CB 4.41Å; C536-E539 PolarHBondContact O-N 3.14Å; E537-E539 VanDerWaalsContact C-N 3.35Å; E537-E539 PolarHBondContact O-N 3.12Å; E539-K541 HydrophobicContact CB-CB 4.22Å; E539-K541 HydrophobicContact CB-CD 4.34Å; E539-K541 VanDerWaalsContact O-CG 3.31Å; E539-K541 WeakPolarHBondContact O-CG 3.3Å; E539-K541 PolarHBondContact O-N 2.84Å
540	E	89.2	Confident	92.9	Very high	106 Å²	106	33.3 Å²	33.3	50%	0.495	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	32.6	-168.5	-58.7	-168	106.8	0	0	114.4	F535 C536 E537 K620	F535-E540 VanDerWaalsContact CE2-C 3.45Å; F535-E540 WeakPolarHBondContact CE2-O 3Å; F535-E540 HydrophobicContact CZ-CB 4.34Å; C536-E540 PolarHBondContact O-N 3.33Å; E537-E540 PolarHBondContact O-N 3.03Å; E540-K620 IonicContact OE1-NZ 3.99Å; E540-K620 PolarHBondContact OE1-NZ 3.46Å; E540-K620 IonicContact OE2-NZ 2.72Å; E540-K620 PolarHBondContact OE2-NZ 2.95Å
541	K	92.6	Very high	92.7	Very high	109 Å²	109	34.2 Å²	34.2	47%	0.474	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.7	-170.3	-76	166	-165.7	171.6	0	113.1	F535 C536 E539	F535-K541 WeakPolarHBondContact CA-O 3.16Å; C536-K541 PolarHBondContact N-O 3.08Å; C536-K541 PolarHBondContact O-N 2.89Å; E539-K541 HydrophobicContact CB-CB 4.22Å; E539-K541 HydrophobicContact CB-CD 4.34Å; E539-K541 VanDerWaalsContact O-CG 3.31Å; E539-K541 WeakPolarHBondContact O-CG 3.3Å; E539-K541 PolarHBondContact O-N 2.84Å
542	W	94.7	Very high	92.7	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.5	170.7	-68.2	99.6	0	0	0	110.7	L312 R314 E533 F535 E621	L312-W542 HydrophobicContact CD2-CH2 3.58Å; L312-W542 HydrophobicContact CD2-CZ2 3.85Å; L312-W542 HydrophobicContact CD2-CZ3 4.46Å; L312-W542 HydrophobicContact CG-CH2 3.74Å; L312-W542 HydrophobicContact CG-CZ2 4.5Å; L312-W542 HydrophobicContact CG-CZ3 4.39Å; R314-W542 HydrophobicContact CB-CZ3 4.32Å; R314-W542 HydrophobicContact CG-CE3 4.32Å; R314-W542 HydrophobicContact CG-CH2 3.65Å; R314-W542 HydrophobicContact CG-CZ2 4.32Å; R314-W542 HydrophobicContact CG-CZ3 3.67Å; R314-W542 VanDerWaalsContact CZ-CZ2 3.43Å; R314-W542 VanDerWaalsContact CZ-NE1 3.35Å; E533-W542 HydrophobicContact CB-CB 4.5Å; E533-W542 HydrophobicContact CB-CE3 3.9Å; E533-W542 HydrophobicContact CG-CB 4.47Å; F535-W542 HydrophobicContact CB-CD2 3.94Å; F535-W542 HydrophobicContact CB-CE3 3.71Å; F535-W542 HydrophobicContact CB-CH2 3.96Å; F535-W542 HydrophobicContact CB-CZ2 4.13Å; F535-W542 HydrophobicContact CB-CZ3 3.74Å; F535-W542 AromaticContact CD2-CD1 3.91Å; F535-W542 AromaticContact CD2-CD2 3.85Å; F535-W542 HydrophobicContact CD2-CD2 3.85Å; F535-W542 AromaticContact CD2-CE2 3.68Å; F535-W542 HydrophobicContact CD2-CE3 4.49Å; F535-W542 HydrophobicContact CD2-CG 4.02Å; F535-W542 HydrophobicContact CD2-CZ2 4.24Å; F535-W542 AromaticContact CD2-NE1 3.7Å; F535-W542 HydrophobicContact CG-CD2 4.39Å; F535-W542 HydrophobicContact CG-CZ2 4.46Å; W542-E621 VanDerWaalsContact CD1-OE1 3.27Å
543	V	95	Very high	92.4	Very high	9 Å²	9	37 Å²	37	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.2	177	178.6	0	0	0	0	108.9	T251 L254 E533 V534 C536 V552	T251-V543 HydrophobicContact CG2-CG1 4.14Å; T251-V543 HydrophobicContact CG2-CG2 4.01Å; L254-V543 HydrophobicContact CD1-CB 4.36Å; L254-V543 HydrophobicContact CD1-CG1 4.23Å; E533-V543 WeakPolarHBondContact CA-O 3.48Å; V534-V543 PolarHBondContact N-O 3.39Å; V534-V543 PolarHBondContact O-N 3.28Å; C536-V543 HydrophobicContact CB-CG2 4.27Å; C536-V543 VanDerWaalsContact SG-CG2 3.51Å; V543-V552 HydrophobicContact CG1-CG1 3.69Å
544	C	95.6	Very high	92.2	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.1	173.4	62.3	0	0	0	0	111.6	L532 E533 G553 Q554 P555 Y585	L532-C544 CarbonylContact O-C 3.54Å; L532-C544 WeakPolarHBondContact O-CA 3.36Å; E533-C544 HydrophobicContact CG-CB 4.44Å; C544-G553 PolarHBondContact O-N 3.44Å; C544-Q554 VanDerWaalsContact SG-C 3.56Å; C544-Q554 PolarHBondContact SG-N 2.87Å; C544-P555 VanDerWaalsContact SG-N 3.38Å; C544-Y585 HydrophobicContact CB-CE1 3.9Å; C544-Y585 VanDerWaalsContact CB-OH 3.27Å; C544-Y585 WeakPolarHBondContact CB-OH 3.47Å
545	V	96.1	Very high	92	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.6	-179.6	-175	0	0	0	0	110.2	L254 V258 F302 L532 V534 V552	L254-V545 HydrophobicContact CD1-CG2 4.38Å; V258-V545 HydrophobicContact CG2-CG1 3.48Å; V258-V545 VanDerWaalsContact CG2-CG1 3.48Å; F302-V545 HydrophobicContact CD1-CG1 4.49Å; F302-V545 HydrophobicContact CE1-CG1 3.62Å; F302-V545 HydrophobicContact CZ-CG1 4.38Å; L532-V545 PolarHBondContact N-O 3.39Å; L532-V545 PolarHBondContact O-N 2.83Å; V534-V545 HydrophobicContact CG2-CG2 4.01Å; V545-V552 HydrophobicContact CG1-CG2 4.11Å; V545-V552 HydrophobicContact CG2-CG1 4.39Å; V545-V552 HydrophobicContact CG2-CG2 4.42Å
546	D	94.7	Very high	91.9	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	101.4	172.1	178.1	-14.1	0	0	0	108.3	V548 H549 G550 V551	D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact OD1-N 3.38Å; D546-H549 PolarHBondContact OD1-N 2.87Å; D546-H549 IonicContact OD1-ND1 2.67Å; D546-H549 PolarHBondContact OD1-ND1 3.13Å; D546-H549 IonicContact OD2-CE1 3.97Å; D546-H549 IonicContact OD2-CG 2.65Å; D546-H549 IonicContact OD2-ND1 3.56Å; D546-H549 PolarHBondContact OD2-ND1 3.36Å; D546-G550 CarbonylContact O-C 3.48Å; D546-G550 WeakPolarHBondContact O-CA 3.13Å; D546-G550 PolarHBondContact O-N 2.97Å; D546-V551 HydrophobicContact CB-CB 4.33Å; D546-V551 PolarHBondContact N-O 2.85Å; D546-V551 PolarHBondContact O-N 3.08Å
547	C	93	Very high	91.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.2	179.2	65.2	0	0	0	0	114.1	F261 I262 F302	F261-C547 HydrophobicContact CD1-CB 4Å; F261-C547 HydrophobicContact CE1-CB 3.97Å; I262-C547 VanDerWaalsContact CD1-O 3.32Å; I262-C547 WeakPolarHBondContact CD1-O 3.21Å; I262-C547 VanDerWaalsContact CG1-O 3.26Å; I262-C547 WeakPolarHBondContact CG1-O 3.43Å; F302-C547 HydrophobicContact CB-CB 4.11Å; F302-C547 HydrophobicContact CD1-CB 3.49Å; F302-C547 VanDerWaalsContact CD1-CB 3.49Å; F302-C547 HydrophobicContact CD2-CB 4.48Å; F302-C547 HydrophobicContact CE1-CB 4.05Å; F302-C547 HydrophobicContact CG-CB 3.76Å
548	V	91.7	Very high	92	Very high	35 Å²	35	44.8 Å²	44.8	21%	0.212	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-44.1	177.8	-168.3	0	0	0	0	109.8	D295 L298 V299 I528 D546	D295-V548 HydrophobicContact CB-CG1 4.23Å; D295-V548 HydrophobicContact CB-CG2 4.07Å; L298-V548 HydrophobicContact CD2-CG2 4.35Å; V299-V548 HydrophobicContact CG2-CG2 3.87Å; I528-V548 HydrophobicContact CD1-CB 3.72Å; I528-V548 HydrophobicContact CD1-CG1 3.53Å; I528-V548 HydrophobicContact CD1-CG2 3.95Å; I528-V548 HydrophobicContact CG2-CG2 4.49Å; D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact OD1-N 3.38Å
549	H	90.6	Very high	92.3	Very high	70 Å²	70	41.7 Å²	41.7	32%	0.324	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.2	176.5	-59.6	100.5	0	0	0	114	I528 D546 V551 Y561	I528-H549 VanDerWaalsContact CD1-CE1 3.46Å; I528-H549 WeakPolarHBondContact CD1-CE1 3.19Å; D546-H549 PolarHBondContact OD1-N 2.87Å; D546-H549 IonicContact OD1-ND1 2.67Å; D546-H549 PolarHBondContact OD1-ND1 3.13Å; D546-H549 IonicContact OD2-CE1 3.97Å; D546-H549 IonicContact OD2-CG 2.65Å; D546-H549 IonicContact OD2-ND1 3.56Å; D546-H549 PolarHBondContact OD2-ND1 3.36Å; H549-V551 HydrophobicContact CB-CG2 3.93Å; H549-Y561 HydrophobicContact CB-CE2 4.35Å; H549-Y561 AromaticContact CD2-CD2 3.9Å; H549-Y561 AromaticContact CD2-CE2 3.75Å; H549-Y561 AromaticContact CD2-CZ 3.81Å; H549-Y561 VanDerWaalsContact CE1-CB 3.49Å; H549-Y561 WeakPolarHBondContact CE1-CB 3.45Å; H549-Y561 AromaticContact CE1-CD1 3.79Å; H549-Y561 AromaticContact CE1-CD2 3.49Å; H549-Y561 VanDerWaalsContact CE1-CD2 3.49Å; H549-Y561 WeakPolarHBondContact CE1-CD2 3.43Å; H549-Y561 AromaticContact CE1-CG 3.32Å; H549-Y561 AromaticContact CG-CD2 3.78Å; H549-Y561 AromaticContact CG-CE2 3.79Å; H549-Y561 AromaticContact ND1-CD2 3.52Å; H549-Y561 AromaticContact ND1-CG 3.85Å; H549-Y561 AromaticContact NE2-CD1 3.46Å; H549-Y561 WeakPolarHBondContact NE2-CD1 3.45Å; H549-Y561 AromaticContact NE2-CD2 3.71Å; H549-Y561 AromaticContact NE2-CE1 3.69Å; H549-Y561 AromaticContact NE2-CE2 3.95Å; H549-Y561 AromaticContact NE2-CG 3.48Å; H549-Y561 AromaticContact NE2-CZ 3.94Å
550	G	91.2	Very high	92.6	Very high	34 Å²	34	44.2 Å²	44.2	35%	0.351	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	33	179.5	0	0	0	0	0	114.5	D546	D546-G550 CarbonylContact O-C 3.48Å; D546-G550 WeakPolarHBondContact O-CA 3.13Å; D546-G550 PolarHBondContact O-N 2.97Å
551	V	91.8	Very high	92.7	Very high	23 Å²	23	43.3 Å²	43.3	14%	0.139	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	-170.1	-176.8	0	0	0	0	110.8	D546 H549 Q554 T557	D546-V551 HydrophobicContact CB-CB 4.33Å; D546-V551 PolarHBondContact N-O 2.85Å; D546-V551 PolarHBondContact O-N 3.08Å; H549-V551 HydrophobicContact CB-CG2 3.93Å; V551-Q554 HydrophobicContact CG1-CB 3.59Å; V551-Q554 HydrophobicContact CG1-CG 3.8Å; V551-T557 HydrophobicContact CG1-CG2 4.15Å; V551-T557 HydrophobicContact CG2-CG2 4.01Å
552	V	94	Very high	92.7	Very high	22 Å²	22	38.4 Å²	38.4	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134	178	176.8	0	0	0	0	108.6	L254 V258 V543 V545 Q554	L254-V552 HydrophobicContact CB-CG1 3.95Å; L254-V552 HydrophobicContact CB-CG2 4.41Å; V258-V552 HydrophobicContact CB-CG2 4.44Å; V258-V552 HydrophobicContact CG2-CG2 3.92Å; V543-V552 HydrophobicContact CG1-CG1 3.69Å; V545-V552 HydrophobicContact CG1-CG2 4.11Å; V545-V552 HydrophobicContact CG2-CG1 4.39Å; V545-V552 HydrophobicContact CG2-CG2 4.42Å; V552-Q554 PolarHBondContact O-N 3.47Å
553	G	91.5	Very high	92.6	Very high	40 Å²	40	40.2 Å²	40.2	41%	0.412	22%	0.22	S	C	.	.	S	Bend	trans	73.5	17.9	174.3	0	0	0	0	0	116	C544	C544-G553 PolarHBondContact O-N 3.44Å
554	Q	91.8	Very high	92.3	Very high	101 Å²	101	45.1 Å²	45.1	47%	0.472	24%	0.24	S	C	.	.			trans	-125.6	85	-178.6	-52	176.7	9.5	0	0	112.5	C544 V551 V552 L556 T557	C544-Q554 VanDerWaalsContact SG-C 3.56Å; C544-Q554 PolarHBondContact SG-N 2.87Å; V551-Q554 HydrophobicContact CG1-CB 3.59Å; V551-Q554 HydrophobicContact CG1-CG 3.8Å; V552-Q554 PolarHBondContact O-N 3.47Å; Q554-L556 VanDerWaalsContact C-N 3.32Å; Q554-L556 PolarHBondContact O-N 3.15Å; Q554-T557 WeakPolarHBondContact CB-OG1 3.39Å; Q554-T557 WeakPolarHBondContact O-CB 3.34Å; Q554-T557 PolarHBondContact O-N 2.93Å; Q554-T557 VanDerWaalsContact O-N 3.09Å; Q554-T557 PolarHBondContact OE1-OG1 3.47Å; Q554-T557 VanDerWaalsContact OE1-OG1 3.06Å
555	P	92.2	Very high	92	Very high	35 Å²	35	49.1 Å²	49.1	23%	0.227	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-29.7	-174.6	25.6	-33.8	0	0	0	113.3	C544 T557 C558 Y559 R584 Y585	C544-P555 VanDerWaalsContact SG-N 3.38Å; P555-T557 PolarHBondContact O-N 3.17Å; P555-C558 WeakPolarHBondContact O-CB 3.39Å; P555-C558 PolarHBondContact O-N 2.87Å; P555-Y559 PolarHBondContact O-N 2.91Å; P555-Y559 VanDerWaalsContact O-N 3.11Å; P555-R584 HydrophobicContact CB-CG 4.11Å; P555-R584 WeakPolarHBondContact CB-O 3.35Å; P555-R584 HydrophobicContact CG-CG 4.44Å; P555-Y585 HydrophobicContact CB-CD1 3.68Å; P555-Y585 HydrophobicContact CB-CE1 3.76Å
556	L	91.8	Very high	91.7	Very high	105 Å²	105	49.4 Å²	49.4	55%	0.55	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-28.6	173.9	-67	176.8	0	0	0	112.7	Q554 K560 P587	Q554-L556 VanDerWaalsContact C-N 3.32Å; Q554-L556 PolarHBondContact O-N 3.15Å; L556-K560 PolarHBondContact O-N 3.41Å; L556-K560 VanDerWaalsContact O-N 3.08Å; L556-P587 HydrophobicContact CD2-CB 4.19Å; L556-P587 HydrophobicContact CD2-CG 4.4Å
557	T	91.3	Very high	91.6	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.172	27%	0.27	C	S	.	.	H	α-helix	trans	-73.3	-40.6	178.4	-50.2	0	0	0	0	110.3	V551 Q554 P555 K560 Y561	V551-T557 HydrophobicContact CG1-CG2 4.15Å; V551-T557 HydrophobicContact CG2-CG2 4.01Å; Q554-T557 WeakPolarHBondContact CB-OG1 3.39Å; Q554-T557 WeakPolarHBondContact O-CB 3.34Å; Q554-T557 PolarHBondContact O-N 2.93Å; Q554-T557 VanDerWaalsContact O-N 3.09Å; Q554-T557 PolarHBondContact OE1-OG1 3.47Å; Q554-T557 VanDerWaalsContact OE1-OG1 3.06Å; P555-T557 PolarHBondContact O-N 3.17Å; T557-K560 VanDerWaalsContact O-CB 3.29Å; T557-K560 WeakPolarHBondContact O-CB 3.28Å; T557-K560 PolarHBondContact O-N 3.44Å; T557-K560 VanDerWaalsContact O-N 3.14Å; T557-Y561 HydrophobicContact CG2-CD2 4.06Å; T557-Y561 HydrophobicContact CG2-CE2 3.6Å; T557-Y561 WeakPolarHBondContact O-CD2 3.35Å; T557-Y561 PolarHBondContact O-N 3.47Å
558	C	91.8	Very high	91.7	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-48.6	171.6	-53.1	0	0	0	0	111	W531 P555 K560 Y561 A562 Y585	W531-C558 HydrophobicContact CD2-CB 4.15Å; W531-C558 HydrophobicContact CE3-CB 4.47Å; W531-C558 HydrophobicContact CZ2-CB 4.43Å; P555-C558 WeakPolarHBondContact O-CB 3.39Å; P555-C558 PolarHBondContact O-N 2.87Å; C558-K560 PolarHBondContact O-N 3.28Å; C558-Y561 PolarHBondContact O-N 3.14Å; C558-Y561 VanDerWaalsContact O-N 3.11Å; C558-A562 WeakPolarHBondContact O-CB 3.21Å; C558-A562 PolarHBondContact O-N 3.03Å; C558-Y585 HydrophobicContact CB-CD1 3.96Å; C558-Y585 HydrophobicContact CB-CE1 4.13Å
559	Y	92.3	Very high	91.9	Very high	54 Å²	54	48 Å²	48	21%	0.212	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-28.1	175.2	172.8	-98.4	0	0	0	114.1	P555 K564 M566 Y585 P587	P555-Y559 PolarHBondContact O-N 2.91Å; P555-Y559 VanDerWaalsContact O-N 3.11Å; Y559-K564 WeakPolarHBondContact O-CE 3.43Å; Y559-K564 PolarHBondContact O-NZ 2.87Å; Y559-M566 HydrophobicContact CD2-CB 4.38Å; Y559-M566 HydrophobicContact CD2-CE 4.14Å; Y559-M566 HydrophobicContact CD2-SD 3.8Å; Y559-M566 HydrophobicContact CE2-CB 4.31Å; Y559-Y585 WeakPolarHBondContact CB-O 3.1Å; Y559-P587 HydrophobicContact CD1-CG 3.91Å; Y559-P587 HydrophobicContact CE1-CG 3.65Å; Y559-P587 HydrophobicContact CG-CG 4.5Å
560	K	92.1	Very high	92.2	Very high	132 Å²	132	44.7 Å²	44.7	57%	0.574	24%	0.244	S	C	*	.	H	α-helix	trans	-67.1	-40.2	176.5	-174	-173	171.4	-164.5	0	111.5	L556 T557 C558 K564	L556-K560 PolarHBondContact O-N 3.41Å; L556-K560 VanDerWaalsContact O-N 3.08Å; T557-K560 VanDerWaalsContact O-CB 3.29Å; T557-K560 WeakPolarHBondContact O-CB 3.28Å; T557-K560 PolarHBondContact O-N 3.44Å; T557-K560 VanDerWaalsContact O-N 3.14Å; C558-K560 PolarHBondContact O-N 3.28Å; K560-K564 PolarHBondContact O-NZ 2.86Å
561	Y	91.6	Very high	92.4	Very high	87 Å²	87	43.1 Å²	43.1	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-95.9	-20.5	-172.7	-63.7	-63.3	0	0	0	115	G527 I528 H549 T557 C558	G527-Y561 CarbonylContact C-O 3.58Å; G527-Y561 WeakPolarHBondContact CA-O 3.49Å; I528-Y561 PolarHBondContact N-O 2.82Å; H549-Y561 HydrophobicContact CB-CE2 4.35Å; H549-Y561 AromaticContact CD2-CD2 3.9Å; H549-Y561 AromaticContact CD2-CE2 3.75Å; H549-Y561 AromaticContact CD2-CZ 3.81Å; H549-Y561 VanDerWaalsContact CE1-CB 3.49Å; H549-Y561 WeakPolarHBondContact CE1-CB 3.45Å; H549-Y561 AromaticContact CE1-CD1 3.79Å; H549-Y561 AromaticContact CE1-CD2 3.49Å; H549-Y561 VanDerWaalsContact CE1-CD2 3.49Å; H549-Y561 WeakPolarHBondContact CE1-CD2 3.43Å; H549-Y561 AromaticContact CE1-CG 3.32Å; H549-Y561 AromaticContact CG-CD2 3.78Å; H549-Y561 AromaticContact CG-CE2 3.79Å; H549-Y561 AromaticContact ND1-CD2 3.52Å; H549-Y561 AromaticContact ND1-CG 3.85Å; H549-Y561 AromaticContact NE2-CD1 3.46Å; H549-Y561 WeakPolarHBondContact NE2-CD1 3.45Å; H549-Y561 AromaticContact NE2-CD2 3.71Å; H549-Y561 AromaticContact NE2-CE1 3.69Å; H549-Y561 AromaticContact NE2-CE2 3.95Å; H549-Y561 AromaticContact NE2-CG 3.48Å; H549-Y561 AromaticContact NE2-CZ 3.94Å; T557-Y561 HydrophobicContact CG2-CD2 4.06Å; T557-Y561 HydrophobicContact CG2-CE2 3.6Å; T557-Y561 WeakPolarHBondContact O-CD2 3.35Å; T557-Y561 PolarHBondContact O-N 3.47Å; C558-Y561 PolarHBondContact O-N 3.14Å; C558-Y561 VanDerWaalsContact O-N 3.11Å
562	A	92	Very high	92.7	Very high	6 Å²	6	42 Å²	42	5%	0.05	22%	0.221	C	C	.	.	S	Bend	trans	-66.7	159.6	174.8	0	0	0	0	0	114	I528 W531 C558 M566	I528-A562 WeakPolarHBondContact O-CA 3.41Å; W531-A562 HydrophobicContact CZ3-CB 4.06Å; C558-A562 WeakPolarHBondContact O-CB 3.21Å; C558-A562 PolarHBondContact O-N 3.03Å; A562-M566 HydrophobicContact CB-CE 3.37Å
563	T	92.1	Very high	92.6	Very high	49 Å²	49	41.2 Å²	41.2	30%	0.301	22%	0.216	S	C	.	.			trans	-70.9	140.2	179.6	-58.1	0	0	0	0	110.7	Q320 G527 D529	Q320-T563 PolarHBondContact NE2-O 3.25Å; G527-T563 VanDerWaalsContact CA-OG1 3.24Å; G527-T563 WeakPolarHBondContact CA-OG1 3.45Å; G527-T563 PolarHBondContact N-OG1 3.31Å; G527-T563 PolarHBondContact O-OG1 2.94Å; D529-T563 VanDerWaalsContact OD1-CB 3.25Å; D529-T563 WeakPolarHBondContact OD1-CB 3.41Å; D529-T563 PolarHBondContact OD1-N 2.81Å; D529-T563 PolarHBondContact OD1-OG1 3.27Å; D529-T563 WeakPolarHBondContact OD2-CB 3.41Å; D529-T563 PolarHBondContact OD2-OG1 2.82Å
564	K	88.7	Confident	92.6	Very high	113 Å²	113	40.9 Å²	40.9	49%	0.491	21%	0.207	S	C	.	.	S	Bend	trans	-110.5	137.4	-174.9	-74.4	163.8	-178.3	148.6	0	111.1	Y559 K560	Y559-K564 WeakPolarHBondContact O-CE 3.43Å; Y559-K564 PolarHBondContact O-NZ 2.87Å; K560-K564 PolarHBondContact O-NZ 2.86Å
565	P	88.9	Confident	92.5	Very high	88 Å²	88	41.2 Å²	41.2	57%	0.571	21%	0.212	S	C	*	.	S	Bend	cis	-84.1	129.3	5.7	32.8	-33.8	0	0	0	113.8	Q320 T567	Q320-P565 PolarHBondContact OE1-O 3.48Å; P565-T567 HydrophobicContact CB-CG2 4.41Å; P565-T567 HydrophobicContact CG-CG2 4.45Å; P565-T567 PolarHBondContact O-N 3.45Å
566	M	90.1	Very high	92.5	Very high	6 Å²	6	40 Å²	40	3%	0.03	21%	0.206	C	C	.	.			trans	-66.9	123.5	167.5	-179.9	175.6	-70.7	0	0	108.9	W531 Y559 A562 V569 T593	W531-M566 HydrophobicContact CH2-CE 3.66Å; W531-M566 HydrophobicContact CZ3-CE 4.29Å; Y559-M566 HydrophobicContact CD2-CB 4.38Å; Y559-M566 HydrophobicContact CD2-CE 4.14Å; Y559-M566 HydrophobicContact CD2-SD 3.8Å; Y559-M566 HydrophobicContact CE2-CB 4.31Å; A562-M566 HydrophobicContact CB-CE 3.37Å; M566-V569 HydrophobicContact CE-CG2 4.26Å; M566-V569 HydrophobicContact CG-CG2 3.51Å; M566-V569 HydrophobicContact SD-CG2 3.46Å; M566-V569 WeakPolarHBondContact SD-CG2 3.35Å; M566-T593 WeakPolarHBondContact O-CG2 3.33Å
567	T	92.2	Very high	92.6	Very high	13 Å²	13	38.8 Å²	38.8	8%	0.08	19%	0.194	C	C	.	.			trans	-127.2	-41.9	-173.9	47.8	0	0	0	0	113.8	P565 C596 R597	P565-T567 HydrophobicContact CB-CG2 4.41Å; P565-T567 HydrophobicContact CG-CG2 4.45Å; P565-T567 PolarHBondContact O-N 3.45Å; T567-C596 HydrophobicContact CG2-CB 4.33Å; T567-R597 VanDerWaalsContact O-CD 3.29Å; T567-R597 WeakPolarHBondContact O-CD 3.47Å; T567-R597 PolarHBondContact O-NH1 3.26Å; T567-R597 VanDerWaalsContact O-NH1 3.11Å
568	Y	95.1	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.2	175.6	-53.5	-93.4	0	0	0	108.8	H206 L210 S318 L319 P321 R597 V598 W603	H206-Y568 AromaticContact CE1-CE2 3.78Å; H206-Y568 AromaticContact NE2-CE2 3.49Å; H206-Y568 WeakPolarHBondContact NE2-CE2 3.48Å; H206-Y568 AromaticContact NE2-CZ 3.51Å; H206-Y568 PolarHBondContact NE2-OH 3.23Å; L210-Y568 HydrophobicContact CD1-CD1 4.36Å; L210-Y568 HydrophobicContact CD1-CD2 3.75Å; L210-Y568 HydrophobicContact CD1-CE2 4.14Å; L210-Y568 HydrophobicContact CD1-CG 3.87Å; L210-Y568 HydrophobicContact CD2-CD1 4.03Å; L210-Y568 HydrophobicContact CD2-CD2 4.28Å; L210-Y568 HydrophobicContact CD2-CE1 3.71Å; L210-Y568 HydrophobicContact CD2-CE2 3.98Å; L210-Y568 HydrophobicContact CD2-CG 4.3Å; S318-Y568 CarbonylContact C-O 3.4Å; S318-Y568 WeakPolarHBondContact CA-O 3.48Å; L319-Y568 PolarHBondContact N-O 3.43Å; P321-Y568 HydrophobicContact CG-CD2 3.86Å; P321-Y568 HydrophobicContact CG-CE2 3.74Å; Y568-R597 HydrophobicContact CD1-CG 4.36Å; Y568-R597 VanDerWaalsContact CD1-CZ 3.45Å; Y568-R597 HydrophobicContact CE1-CB 4.03Å; Y568-R597 HydrophobicContact CE1-CG 3.79Å; Y568-R597 HydrophobicContact CE2-CG 4.31Å; Y568-R597 WeakPolarHBondContact OH-CA 3.29Å; Y568-V598 HydrophobicContact CE1-CG1 4.31Å; Y568-V598 WeakPolarHBondContact OH-CG1 3.35Å; Y568-V598 PolarHBondContact OH-N 2.83Å; Y568-W603 HydrophobicContact CD1-CD2 4.42Å; Y568-W603 HydrophobicContact CD1-CH2 4.5Å; Y568-W603 HydrophobicContact CD1-CZ2 4.03Å; Y568-W603 HydrophobicContact CE1-CD2 4.42Å
569	V	96.3	Very high	92.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118	172.2	-170.5	0	0	0	0	108	V316 L317 W531 M566 V581 T582 Y585	V316-V569 HydrophobicContact CG1-CG1 3.3Å; L317-V569 WeakPolarHBondContact O-CA 3.34Å; W531-V569 HydrophobicContact CH2-CG1 3.96Å; W531-V569 HydrophobicContact CH2-CG2 4.48Å; W531-V569 HydrophobicContact CZ2-CG1 3.66Å; M566-V569 HydrophobicContact CE-CG2 4.26Å; M566-V569 HydrophobicContact CG-CG2 3.51Å; M566-V569 HydrophobicContact SD-CG2 3.46Å; M566-V569 WeakPolarHBondContact SD-CG2 3.35Å; V569-V581 HydrophobicContact CB-CG2 4.33Å; V569-V581 HydrophobicContact CG1-CG2 3.82Å; V569-V581 PolarHBondContact O-N 2.79Å; V569-T582 HydrophobicContact CG2-CG2 4.32Å; V569-T582 PolarHBondContact N-OG1 3.23Å; V569-T582 PolarHBondContact O-N 3.43Å; V569-T582 PolarHBondContact O-OG1 3.14Å; V569-Y585 HydrophobicContact CB-CD2 4.49Å; V569-Y585 HydrophobicContact CG1-CD2 3.91Å; V569-Y585 HydrophobicContact CG1-CE2 4.31Å
570	V	96.7	Very high	93.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.5	-179.3	-63.2	0	0	0	0	110.5	L214 V316 L317 L319 V578 R579 W603	L214-V570 HydrophobicContact CD1-CG2 4.21Å; V316-V570 CarbonylContact C-O 3.56Å; V316-V570 WeakPolarHBondContact CA-O 3.41Å; L317-V570 HydrophobicContact CB-CG2 4.17Å; L317-V570 PolarHBondContact N-O 2.7Å; L317-V570 PolarHBondContact O-N 3.31Å; L319-V570 HydrophobicContact CD1-CG1 4.16Å; L319-V570 HydrophobicContact CD1-CG2 3.89Å; L319-V570 HydrophobicContact CD2-CG2 3.97Å; L319-V570 HydrophobicContact CG-CG2 4.01Å; V570-V578 HydrophobicContact CB-CG1 4.05Å; V570-V578 HydrophobicContact CG1-CG1 4.38Å; V570-R579 CarbonylContact C-O 3.58Å; V570-R579 WeakPolarHBondContact CA-O 3.45Å; V570-W603 HydrophobicContact CG1-CH2 4.45Å; V570-W603 HydrophobicContact CG1-CZ2 3.9Å
571	G	96.5	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	170.2	0	0	0	0	0	109.9	V578 R579	G571-V578 WeakPolarHBondContact O-CA 3.4Å; G571-R579 PolarHBondContact N-O 3.43Å; G571-R579 PolarHBondContact O-N 3.18Å
572	I	96.7	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.3	178.7	-48.5	-178.5	0	0	0	109.1	G217 F218 N221 R314 L315 L317 W577 V578	G217-I572 VanDerWaalsContact C-CD1 3.46Å; F218-I572 HydrophobicContact CD1-CG2 4.22Å; F218-I572 HydrophobicContact CE1-CG2 4.38Å; N221-I572 HydrophobicContact CB-CB 4.45Å; N221-I572 HydrophobicContact CB-CG2 3.84Å; R314-I572 CarbonylContact C-O 3.55Å; R314-I572 WeakPolarHBondContact CA-O 3.5Å; L315-I572 PolarHBondContact N-O 3.45Å; L315-I572 PolarHBondContact O-N 2.95Å; L317-I572 HydrophobicContact CD1-CD1 4.01Å; I572-W577 CarbonylContact C-O 3.52Å; I572-W577 WeakPolarHBondContact CA-O 3.41Å; I572-V578 HydrophobicContact CG1-CG2 4.16Å; I572-V578 HydrophobicContact CG2-CG2 4.25Å
573	D	93.7	Very high	93.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.027	15%	0.153	C	C	.	.			trans	-72.4	168	-177.4	-148.8	-19.1	0	0	0	112.6	N221 L312 R314 D575 G576 W577	N221-D573 PolarHBondContact ND2-O 2.84Å; N221-D573 PolarHBondContact OD1-O 2.95Å; L312-D573 WeakPolarHBondContact CD1-OD1 3.47Å; R314-D573 HydrophobicContact CG-CB 4.12Å; D573-D575 PolarHBondContact O-N 2.98Å; D573-G576 PolarHBondContact O-N 3.15Å; D573-W577 HydrophobicContact CB-CB 4.24Å; D573-W577 PolarHBondContact N-O 3.37Å
574	S	90.5	Very high	93.6	Very high	34 Å²	34	27.2 Å²	27.2	24%	0.238	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.2	177	53.1	0	0	0	0	113.7	S225 T313 G576	S225-S574 PolarHBondContact OG-O 3.29Å; T313-S574 PolarHBondContact O-N 3.33Å; S574-G576 VanDerWaalsContact C-N 3.33Å
575	D	90.2	Very high	93.8	Very high	107 Å²	107	21.9 Å²	21.9	57%	0.572	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.8	177.7	-67.1	-16.7	0	0	0	113.9	D573 W577	D573-D575 PolarHBondContact O-N 2.98Å; D575-W577 VanDerWaalsContact CB-CD1 3.49Å; D575-W577 HydrophobicContact CB-CG 4.31Å; D575-W577 VanDerWaalsContact CB-NE1 3.25Å; D575-W577 PolarHBondContact OD2-NE1 2.81Å; D575-W577 VanDerWaalsContact OD2-NE1 3.12Å
576	G	91.2	Very high	93.9	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	9%	0.09	C	C	.	.			trans	91	9.8	-174.1	0	0	0	0	0	115.3	F218 D573 S574	F218-G576 WeakPolarHBondContact CE1-O 3.4Å; D573-G576 PolarHBondContact O-N 3.15Å; S574-G576 VanDerWaalsContact C-N 3.33Å
577	W	94.5	Very high	93.9	Very high	81 Å²	81	19.9 Å²	19.9	31%	0.307	10%	0.104	S	C	.	.			trans	-66	142.8	167.9	-50	119.7	0	0	0	110.6	I572 D573 D575 Y610 Q611 P613	I572-W577 CarbonylContact C-O 3.52Å; I572-W577 WeakPolarHBondContact CA-O 3.41Å; D573-W577 HydrophobicContact CB-CB 4.24Å; D573-W577 PolarHBondContact N-O 3.37Å; D575-W577 VanDerWaalsContact CB-CD1 3.49Å; D575-W577 HydrophobicContact CB-CG 4.31Å; D575-W577 VanDerWaalsContact CB-NE1 3.25Å; D575-W577 PolarHBondContact OD2-NE1 2.81Å; D575-W577 VanDerWaalsContact OD2-NE1 3.12Å; W577-Y610 CarbonylContact C-O 3.59Å; W577-Y610 VanDerWaalsContact CA-O 3.29Å; W577-Y610 WeakPolarHBondContact CA-O 3.35Å; W577-Q611 WeakPolarHBondContact CZ3-O 3.37Å; W577-P613 HydrophobicContact CZ2-CG 3.98Å
578	V	95.6	Very high	93.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.024	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.6	-176.1	-174.8	0	0	0	0	111.4	L214 F218 V570 G571 I572 L607 Y610	L214-V578 HydrophobicContact CD1-CG1 4.22Å; F218-V578 HydrophobicContact CD1-CG2 4.44Å; F218-V578 HydrophobicContact CE1-CG2 3.34Å; F218-V578 HydrophobicContact CZ-CG2 3.43Å; F218-V578 VanDerWaalsContact CZ-CG2 3.43Å; V570-V578 HydrophobicContact CB-CG1 4.05Å; V570-V578 HydrophobicContact CG1-CG1 4.38Å; G571-V578 WeakPolarHBondContact O-CA 3.4Å; I572-V578 HydrophobicContact CG1-CG2 4.16Å; I572-V578 HydrophobicContact CG2-CG2 4.25Å; V578-L607 HydrophobicContact CB-CD2 4.43Å; V578-L607 HydrophobicContact CG1-CD2 3.87Å; V578-Y610 HydrophobicContact CG2-CG 4.47Å; V578-Y610 PolarHBondContact N-O 3.44Å
579	R	94.7	Very high	93.6	Very high	36 Å²	36	22.9 Å²	22.9	14%	0.136	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.4	172	-168.2	68	178.9	-169.7	-1.5	110.9	V570 G571 V581 E618 D622	V570-R579 CarbonylContact C-O 3.58Å; V570-R579 WeakPolarHBondContact CA-O 3.45Å; G571-R579 PolarHBondContact N-O 3.43Å; G571-R579 PolarHBondContact O-N 3.18Å; R579-V581 HydrophobicContact CB-CG1 4.16Å; R579-V581 HydrophobicContact CG-CG1 4.02Å; R579-V581 PolarHBondContact O-N 3.13Å; R579-E618 IonicContact CZ-OE2 2.64Å; R579-E618 IonicContact NH1-OE1 2.65Å; R579-E618 IonicContact NH1-OE2 3.64Å; R579-E618 PolarHBondContact NH1-OE2 2.8Å; R579-D622 IonicContact CZ-OD1 3.54Å; R579-D622 IonicContact CZ-OD2 3.06Å; R579-D622 IonicContact NH2-OD1 2.69Å; R579-D622 PolarHBondContact NH2-OD1 3.42Å; R579-D622 IonicContact NH2-OD2 3.09Å; R579-D622 PolarHBondContact NH2-OD2 3.44Å
580	D	95.2	Very high	93.2	Very high	26 Å²	26	24 Å²	24	14%	0.139	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.3	164.9	-169.3	-33.1	0	0	0	108.9	T582 R597 W603 L607	D580-T582 WeakPolarHBondContact OD1-CB 3.49Å; D580-T582 PolarHBondContact OD1-N 3.25Å; D580-T582 PolarHBondContact OD1-OG1 2.75Å; D580-R597 IonicContact OD1-NH1 3.78Å; D580-R597 IonicContact OD2-CZ 2.69Å; D580-R597 IonicContact OD2-NH1 3.24Å; D580-R597 PolarHBondContact OD2-NH1 3.07Å; D580-R597 IonicContact OD2-NH2 2.66Å; D580-R597 PolarHBondContact OD2-NH2 3.35Å; D580-W603 PolarHBondContact OD2-NE1 3.12Å; D580-L607 HydrophobicContact CB-CD1 4.18Å
581	V	95.1	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.			trans	-108.6	14.2	-177.8	-62.6	0	0	0	0	111.8	V316 V569 R579 Q583 R584 Y585	V316-V581 HydrophobicContact CG1-CG2 3.91Å; V569-V581 HydrophobicContact CB-CG2 4.33Å; V569-V581 HydrophobicContact CG1-CG2 3.82Å; V569-V581 PolarHBondContact O-N 2.79Å; R579-V581 HydrophobicContact CB-CG1 4.16Å; R579-V581 HydrophobicContact CG-CG1 4.02Å; R579-V581 PolarHBondContact O-N 3.13Å; V581-Q583 PolarHBondContact O-N 2.83Å; V581-R584 WeakPolarHBondContact O-CB 3.37Å; V581-R584 PolarHBondContact O-N 3.42Å; V581-Y585 HydrophobicContact CB-CE2 4.22Å; V581-Y585 HydrophobicContact CG2-CD2 4.23Å; V581-Y585 HydrophobicContact CG2-CE2 3.79Å; V581-Y585 WeakPolarHBondContact O-CD2 3.37Å
582	T	94.9	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-51.6	-36.8	-179.4	-49	0	0	0	0	112.1	V569 D580 R584 Y585 D586 W589 R597	V569-T582 HydrophobicContact CG2-CG2 4.32Å; V569-T582 PolarHBondContact N-OG1 3.23Å; V569-T582 PolarHBondContact O-N 3.43Å; V569-T582 PolarHBondContact O-OG1 3.14Å; D580-T582 WeakPolarHBondContact OD1-CB 3.49Å; D580-T582 PolarHBondContact OD1-N 3.25Å; D580-T582 PolarHBondContact OD1-OG1 2.75Å; T582-R584 VanDerWaalsContact C-N 3.28Å; T582-R584 PolarHBondContact O-N 2.83Å; T582-Y585 PolarHBondContact O-N 3.49Å; T582-Y585 VanDerWaalsContact O-N 3.17Å; T582-D586 HydrophobicContact CG2-CB 4.17Å; T582-D586 PolarHBondContact O-N 2.88Å; T582-W589 HydrophobicContact CG2-CE3 3.66Å; T582-W589 HydrophobicContact CG2-CZ3 3.62Å; T582-R597 PolarHBondContact OG1-NH1 2.92Å; T582-R597 VanDerWaalsContact OG1-NH1 3.14Å
583	Q	94	Very high	92	Very high	44 Å²	44	28.7 Å²	28.7	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-31.8	178.2	-56.1	-161.8	84.7	0	0	113.5	V581 W589 F625 K628	V581-Q583 PolarHBondContact O-N 2.83Å; Q583-W589 HydrophobicContact CG-CD2 4.18Å; Q583-W589 HydrophobicContact CG-CG 4.36Å; Q583-W589 HydrophobicContact CG-CZ2 4.07Å; Q583-F625 HydrophobicContact CB-CB 4.07Å; Q583-F625 HydrophobicContact CB-CD1 4.17Å; Q583-F625 HydrophobicContact CB-CD2 3.79Å; Q583-F625 HydrophobicContact CB-CE2 4.24Å; Q583-F625 HydrophobicContact CB-CG 3.74Å; Q583-F625 HydrophobicContact CG-CD2 4.29Å; Q583-K628 PolarHBondContact O-NZ 3Å
584	R	93.9	Very high	91.7	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	18%	0.176	C	C	.	.	H	α-helix	trans	-69.7	-36.1	176.8	-171.7	170.4	-75.8	121.9	1.9	112.2	E533 P555 V581 T582 E621 E624 F625 K628	E533-R584 WeakPolarHBondContact OE1-CD 3.37Å; E533-R584 IonicContact OE1-CZ 2.72Å; E533-R584 IonicContact OE1-NH1 3.47Å; E533-R584 PolarHBondContact OE1-NH1 3.39Å; E533-R584 IonicContact OE2-NH1 2.69Å; E533-R584 PolarHBondContact OE2-NH1 3.13Å; P555-R584 HydrophobicContact CB-CG 4.11Å; P555-R584 WeakPolarHBondContact CB-O 3.35Å; P555-R584 HydrophobicContact CG-CG 4.44Å; V581-R584 WeakPolarHBondContact O-CB 3.37Å; V581-R584 PolarHBondContact O-N 3.42Å; T582-R584 VanDerWaalsContact C-N 3.28Å; T582-R584 PolarHBondContact O-N 2.83Å; R584-E621 IonicContact CZ-OE1 3.4Å; R584-E621 VanDerWaalsContact CZ-OE1 3.25Å; R584-E621 IonicContact NH1-OE1 2.65Å; R584-E621 PolarHBondContact NH1-OE1 2.67Å; R584-E621 IonicContact NH2-OE1 3.31Å; R584-E621 PolarHBondContact NH2-OE1 3.21Å; R584-E624 IonicContact CZ-OE1 2.74Å; R584-E624 IonicContact CZ-OE2 3.5Å; R584-E624 IonicContact NE-OE1 3.77Å; R584-E624 PolarHBondContact NE-OE1 3.46Å; R584-E624 VanDerWaalsContact NE-OE1 3.09Å; R584-E624 IonicContact NE-OE2 3.21Å; R584-E624 IonicContact NH2-OE1 3.15Å; R584-E624 PolarHBondContact NH2-OE1 3.44Å; R584-E624 IonicContact NH2-OE2 3.81Å; R584-E624 PolarHBondContact NH2-OE2 2.93Å; R584-F625 HydrophobicContact CB-CE1 3.75Å; R584-F625 HydrophobicContact CB-CZ 4.3Å; R584-F625 HydrophobicContact CG-CE1 4.49Å; R584-K628 VanDerWaalsContact C-NZ 3.26Å; R584-K628 PolarHBondContact O-NZ 2.78Å
585	Y	94	Very high	91.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-99	-43.5	-171	-62	-78.7	0	0	0	114.2	V316 W531 E533 C544 P555 C558 Y559 V569 V581 T582 P587	V316-Y585 HydrophobicContact CG1-CE2 4.13Å; W531-Y585 AromaticContact CE2-CD1 3.95Å; W531-Y585 AromaticContact CE2-CE1 3.64Å; W531-Y585 AromaticContact CE2-CZ 3.82Å; W531-Y585 AromaticContact CZ2-CD1 3.63Å; W531-Y585 HydrophobicContact CZ2-CD1 3.63Å; W531-Y585 AromaticContact CZ2-CD2 3.86Å; W531-Y585 HydrophobicContact CZ2-CD2 3.86Å; W531-Y585 AromaticContact CZ2-CE1 3.77Å; W531-Y585 HydrophobicContact CZ2-CE1 3.77Å; W531-Y585 HydrophobicContact CZ2-CE2 4.02Å; W531-Y585 AromaticContact CZ2-CG 3.67Å; W531-Y585 HydrophobicContact CZ2-CG 3.67Å; W531-Y585 AromaticContact CZ2-CZ 3.98Å; W531-Y585 AromaticContact NE1-CD1 3.92Å; W531-Y585 AromaticContact NE1-CE1 3.13Å; W531-Y585 AromaticContact NE1-CE2 3.83Å; W531-Y585 AromaticContact NE1-CZ 3.09Å; W531-Y585 PolarHBondContact NE1-OH 3.09Å; W531-Y585 VanDerWaalsContact NE1-OH 3.12Å; E533-Y585 VanDerWaalsContact CG-OH 3.26Å; E533-Y585 WeakPolarHBondContact CG-OH 3.41Å; E533-Y585 WeakPolarHBondContact OE1-CE2 3.34Å; E533-Y585 PolarHBondContact OE1-OH 2.54Å; C544-Y585 HydrophobicContact CB-CE1 3.9Å; C544-Y585 VanDerWaalsContact CB-OH 3.27Å; C544-Y585 WeakPolarHBondContact CB-OH 3.47Å; P555-Y585 HydrophobicContact CB-CD1 3.68Å; P555-Y585 HydrophobicContact CB-CE1 3.76Å; C558-Y585 HydrophobicContact CB-CD1 3.96Å; C558-Y585 HydrophobicContact CB-CE1 4.13Å; Y559-Y585 WeakPolarHBondContact CB-O 3.1Å; V569-Y585 HydrophobicContact CB-CD2 4.49Å; V569-Y585 HydrophobicContact CG1-CD2 3.91Å; V569-Y585 HydrophobicContact CG1-CE2 4.31Å; V581-Y585 HydrophobicContact CB-CE2 4.22Å; V581-Y585 HydrophobicContact CG2-CD2 4.23Å; V581-Y585 HydrophobicContact CG2-CE2 3.79Å; V581-Y585 WeakPolarHBondContact O-CD2 3.37Å; T582-Y585 PolarHBondContact O-N 3.49Å; T582-Y585 VanDerWaalsContact O-N 3.17Å; Y585-P587 VanDerWaalsContact O-CD 3.3Å; Y585-P587 WeakPolarHBondContact O-CD 3.25Å
586	D	91.8	Very high	91.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	17%	0.168	C	C	.	.			trans	-82.7	116.8	-172.4	177.6	23.5	0	0	0	112.3	T582 V588 W589 T593	T582-D586 HydrophobicContact CG2-CB 4.17Å; T582-D586 PolarHBondContact O-N 2.88Å; D586-V588 VanDerWaalsContact C-N 3.25Å; D586-V588 PolarHBondContact O-N 2.72Å; D586-V588 WeakPolarHBondContact OD1-CA 3.42Å; D586-V588 PolarHBondContact OD1-N 3.05Å; D586-W589 HydrophobicContact CB-CB 4.45Å; D586-W589 WeakPolarHBondContact OD2-CA 3.33Å; D586-W589 PolarHBondContact OD2-N 3.31Å; D586-T593 WeakPolarHBondContact OD2-CB 3.16Å; D586-T593 WeakPolarHBondContact OD2-CG2 3.42Å; D586-T593 PolarHBondContact OD2-OG1 3.12Å
587	P	89.2	Confident	91.5	Very high	51 Å²	51	34.9 Å²	34.9	33%	0.331	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.6	174.4	33.1	-34.8	0	0	0	113.5	L556 Y559 Y585	L556-P587 HydrophobicContact CD2-CB 4.19Å; L556-P587 HydrophobicContact CD2-CG 4.4Å; Y559-P587 HydrophobicContact CD1-CG 3.91Å; Y559-P587 HydrophobicContact CE1-CG 3.65Å; Y559-P587 HydrophobicContact CG-CG 4.5Å; Y585-P587 VanDerWaalsContact O-CD 3.3Å; Y585-P587 WeakPolarHBondContact O-CD 3.25Å
588	V	89.1	Confident	91.4	Very high	47 Å²	47	31.9 Å²	31.9	29%	0.285	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	6.9	-176.3	-155.9	0	0	0	0	112	D586 M590 T591 V592	D586-V588 VanDerWaalsContact C-N 3.25Å; D586-V588 PolarHBondContact O-N 2.72Å; D586-V588 WeakPolarHBondContact OD1-CA 3.42Å; D586-V588 PolarHBondContact OD1-N 3.05Å; V588-M590 PolarHBondContact O-N 3.3Å; V588-T591 VanDerWaalsContact CG1-OG1 3.22Å; V588-T591 WeakPolarHBondContact CG1-OG1 3.4Å; V588-T591 PolarHBondContact O-N 3.46Å; V588-T591 PolarHBondContact O-OG1 3.27Å; V588-V592 HydrophobicContact CG1-CB 3.76Å; V588-V592 HydrophobicContact CG1-CG2 3.67Å; V588-V592 PolarHBondContact O-N 3.18Å; V588-V592 VanDerWaalsContact O-N 3.1Å
589	W	90.8	Very high	91.1	Very high	28 Å²	28	35.9 Å²	35.9	11%	0.106	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-56.2	-173.5	174.4	-116.9	0	0	0	113.7	T582 Q583 D586 T591 T593 R594 H629	T582-W589 HydrophobicContact CG2-CE3 3.66Å; T582-W589 HydrophobicContact CG2-CZ3 3.62Å; Q583-W589 HydrophobicContact CG-CD2 4.18Å; Q583-W589 HydrophobicContact CG-CG 4.36Å; Q583-W589 HydrophobicContact CG-CZ2 4.07Å; D586-W589 HydrophobicContact CB-CB 4.45Å; D586-W589 WeakPolarHBondContact OD2-CA 3.33Å; D586-W589 PolarHBondContact OD2-N 3.31Å; W589-T591 PolarHBondContact O-N 3.15Å; W589-T593 HydrophobicContact CE3-CG2 4.18Å; W589-T593 HydrophobicContact CZ3-CG2 4.39Å; W589-R594 WeakPolarHBondContact O-CB 3.32Å; W589-R594 PolarHBondContact O-N 3.47Å; W589-H629 WeakPolarHBondContact CB-NE2 3.46Å; W589-H629 AromaticContact CD1-NE2 3.32Å; W589-H629 VanDerWaalsContact CD1-NE2 3.32Å; W589-H629 AromaticContact CG-NE2 3.53Å
590	M	88.7	Confident	91	Very high	25 Å²	25	37.4 Å²	37.4	12%	0.123	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.1	-174.4	-66.6	-61.4	-170.4	0	0	114.4	V588 H629 H644 P645 L646	V588-M590 PolarHBondContact O-N 3.3Å; M590-H629 HydrophobicContact CE-CB 3.73Å; M590-H629 VanDerWaalsContact CE-CD2 3.43Å; M590-H629 WeakPolarHBondContact CE-CD2 3.46Å; M590-H629 VanDerWaalsContact CE-CG 3.4Å; M590-H644 WeakPolarHBondContact CB-NE2 3.44Å; M590-H644 PolarHBondContact O-CD2 3.1Å; M590-H644 VanDerWaalsContact O-CD2 3.28Å; M590-P645 HydrophobicContact CB-CG 4.29Å; M590-P645 HydrophobicContact CG-CG 4.4Å; M590-P645 VanDerWaalsContact O-CD 3.31Å; M590-P645 WeakPolarHBondContact O-CD 3.4Å; M590-P645 HydrophobicContact SD-CB 4.45Å; M590-P645 HydrophobicContact SD-CG 3.32Å; M590-P645 WeakPolarHBondContact SD-CG 3.22Å; M590-L646 HydrophobicContact CE-CD1 4.34Å
591	T	87.8	Confident	90.9	Very high	18 Å²	18	43.3 Å²	43.3	11%	0.11	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-48.7	-169.5	62	0	0	0	0	114.9	V588 W589 K595 P635 L640	V588-T591 VanDerWaalsContact CG1-OG1 3.22Å; V588-T591 WeakPolarHBondContact CG1-OG1 3.4Å; V588-T591 PolarHBondContact O-N 3.46Å; V588-T591 PolarHBondContact O-OG1 3.27Å; W589-T591 PolarHBondContact O-N 3.15Å; T591-K595 WeakPolarHBondContact O-CD 3.36Å; T591-K595 WeakPolarHBondContact O-CE 3.46Å; T591-K595 PolarHBondContact O-NZ 3.01Å; T591-P635 HydrophobicContact CG2-CG 4.36Å; T591-L640 HydrophobicContact CG2-CB 3.98Å
592	V	87	Confident	90.9	Very high	68 Å²	68	46.4 Å²	46.4	41%	0.412	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-52.7	-174.7	-179.5	0	0	0	0	111	V588 R594 K595 C596 L640	V588-V592 HydrophobicContact CG1-CB 3.76Å; V588-V592 HydrophobicContact CG1-CG2 3.67Å; V588-V592 PolarHBondContact O-N 3.18Å; V588-V592 VanDerWaalsContact O-N 3.1Å; V592-R594 PolarHBondContact O-N 3.24Å; V592-K595 WeakPolarHBondContact O-CA 3.49Å; V592-K595 WeakPolarHBondContact O-CB 3.4Å; V592-K595 PolarHBondContact O-N 2.87Å; V592-C596 PolarHBondContact O-N 2.46Å; V592-L640 HydrophobicContact CG2-CD2 4.39Å
593	T	89.6	Confident	90.9	Very high	12 Å²	12	47 Å²	47	7%	0.074	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-63	-42.7	-168	-50.3	0	0	0	0	112.8	M566 D586 W589 K595 C596 R597	M566-T593 WeakPolarHBondContact O-CG2 3.33Å; D586-T593 WeakPolarHBondContact OD2-CB 3.16Å; D586-T593 WeakPolarHBondContact OD2-CG2 3.42Å; D586-T593 PolarHBondContact OD2-OG1 3.12Å; W589-T593 HydrophobicContact CE3-CG2 4.18Å; W589-T593 HydrophobicContact CZ3-CG2 4.39Å; T593-K595 PolarHBondContact O-N 3.48Å; T593-K595 VanDerWaalsContact O-N 3.09Å; T593-C596 PolarHBondContact O-N 3.12Å; T593-R597 PolarHBondContact O-N 2.98Å
594	R	88.7	Confident	90.9	Very high	132 Å²	132	47.2 Å²	47.2	50%	0.498	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52.8	-31.7	172.2	-176.2	176.9	177.3	-111.9	-4.2	113.2	W589 V592 C596	W589-R594 WeakPolarHBondContact O-CB 3.32Å; W589-R594 PolarHBondContact O-N 3.47Å; V592-R594 PolarHBondContact O-N 3.24Å; R594-C596 VanDerWaalsContact C-N 3.34Å
595	K	87	Confident	90.9	Very high	74 Å²	74	51.8 Å²	51.8	32%	0.322	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-84.4	-5.2	179.9	-60.6	170.8	-178.8	149.1	0	113.8	K325 T591 V592 T593 K642	K325-K595 PolarHBondContact NZ-O 2.82Å; T591-K595 WeakPolarHBondContact O-CD 3.36Å; T591-K595 WeakPolarHBondContact O-CE 3.46Å; T591-K595 PolarHBondContact O-NZ 3.01Å; V592-K595 WeakPolarHBondContact O-CA 3.49Å; V592-K595 WeakPolarHBondContact O-CB 3.4Å; V592-K595 PolarHBondContact O-N 2.87Å; T593-K595 PolarHBondContact O-N 3.48Å; T593-K595 VanDerWaalsContact O-N 3.09Å; K595-K642 VanDerWaalsContact CE-O 3.25Å; K595-K642 WeakPolarHBondContact CE-O 3.28Å; K595-K642 PolarHBondContact NZ-O 2.99Å
596	C	87.9	Confident	91	Very high	48 Å²	48	53 Å²	53	32%	0.324	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-105	-4.6	177.5	-68.3	0	0	0	0	112.9	T567 V592 T593 R594	T567-C596 HydrophobicContact CG2-CB 4.33Å; V592-C596 PolarHBondContact O-N 2.46Å; T593-C596 PolarHBondContact O-N 3.12Å; R594-C596 VanDerWaalsContact C-N 3.34Å
597	R	92.3	Very high	91.1	Very high	31 Å²	31	53.5 Å²	53.5	12%	0.117	28%	0.283	C	S	.	.	S	Bend	trans	-92.2	160.8	178.6	-68.4	173.3	60.4	132.3	-8.9	111.5	L324 T567 Y568 D580 T582 T593	L324-R597 VanDerWaalsContact CD2-C 3.44Å; L324-R597 WeakPolarHBondContact CD2-O 3.12Å; T567-R597 VanDerWaalsContact O-CD 3.29Å; T567-R597 WeakPolarHBondContact O-CD 3.47Å; T567-R597 PolarHBondContact O-NH1 3.26Å; T567-R597 VanDerWaalsContact O-NH1 3.11Å; Y568-R597 HydrophobicContact CD1-CG 4.36Å; Y568-R597 VanDerWaalsContact CD1-CZ 3.45Å; Y568-R597 HydrophobicContact CE1-CB 4.03Å; Y568-R597 HydrophobicContact CE1-CG 3.79Å; Y568-R597 HydrophobicContact CE2-CG 4.31Å; Y568-R597 WeakPolarHBondContact OH-CA 3.29Å; D580-R597 IonicContact OD1-NH1 3.78Å; D580-R597 IonicContact OD2-CZ 2.69Å; D580-R597 IonicContact OD2-NH1 3.24Å; D580-R597 PolarHBondContact OD2-NH1 3.07Å; D580-R597 IonicContact OD2-NH2 2.66Å; D580-R597 PolarHBondContact OD2-NH2 3.35Å; T582-R597 PolarHBondContact OG1-NH1 2.92Å; T582-R597 VanDerWaalsContact OG1-NH1 3.14Å; T593-R597 PolarHBondContact O-N 2.98Å
598	V	91.5	Very high	91.3	Very high	17 Å²	17	57.6 Å²	57.6	10%	0.103	29%	0.292	C	S	.	.			trans	-63.8	169.5	168.7	69.7	0	0	0	0	110.2	K207 Y568 A600 W602 W603	K207-V598 HydrophobicContact CD-CG2 4.31Å; K207-V598 HydrophobicContact CG-CG2 3.87Å; Y568-V598 HydrophobicContact CE1-CG1 4.31Å; Y568-V598 WeakPolarHBondContact OH-CG1 3.35Å; Y568-V598 PolarHBondContact OH-N 2.83Å; V598-A600 PolarHBondContact O-N 3.34Å; V598-W602 HydrophobicContact CG1-CE3 3.68Å; V598-W602 HydrophobicContact CG1-CZ3 3.91Å; V598-W602 HydrophobicContact CG2-CE3 4.02Å; V598-W603 HydrophobicContact CG1-CB 4.37Å
599	D	90.8	Very high	91.5	Very high	89 Å²	89	60 Å²	60	48%	0.476	31%	0.308	S	S	.	.			trans	-43.6	136.5	169.7	169.2	48.3	0	0	0	112.7	E601 W602 W603	D599-E601 PolarHBondContact OD1-N 3.05Å; D599-E601 PolarHBondContact OD2-N 2.99Å; D599-W602 HydrophobicContact CB-CB 4.34Å; D599-W602 WeakPolarHBondContact OD2-CB 3.43Å; D599-W602 PolarHBondContact OD2-N 2.92Å; D599-W603 PolarHBondContact O-N 3.12Å
600	A	91.5	Very high	91.6	Very high	68 Å²	68	63 Å²	63	56%	0.562	32%	0.32	S	S	*	.	H	α-helix	trans	-75.1	-33.8	-174.7	0	0	0	0	0	112	V598 W603 A604	V598-A600 PolarHBondContact O-N 3.34Å; A600-W603 PolarHBondContact O-N 2.89Å; A600-A604 WeakPolarHBondContact O-CB 3.18Å; A600-A604 PolarHBondContact O-N 2.94Å
601	E	93.3	Very high	91.8	Very high	149 Å²	149	65.8 Å²	65.8	70%	0.696	33%	0.333	S	S	*	.	H	α-helix	trans	-67.2	-53.2	179	-56.8	-167.8	167.4	0	0	109.6	D599 W603 A604 E605	D599-E601 PolarHBondContact OD1-N 3.05Å; D599-E601 PolarHBondContact OD2-N 2.99Å; E601-W603 VanDerWaalsContact C-N 3.25Å; E601-W603 PolarHBondContact O-N 2.95Å; E601-A604 PolarHBondContact O-N 2.9Å; E601-E605 WeakPolarHBondContact O-CG 3.34Å; E601-E605 PolarHBondContact O-N 2.89Å
602	W	95.1	Very high	91.9	Very high	66 Å²	66	65.4 Å²	65.4	25%	0.25	33%	0.331	C	S	.	.	H	α-helix	trans	-53	-39.9	175.4	-178.6	83	0	0	0	113.2	K207 L210 L211 V598 D599 T606	K207-W602 HydrophobicContact CB-CH2 3.6Å; K207-W602 HydrophobicContact CB-CZ2 3.74Å; K207-W602 HydrophobicContact CB-CZ3 4.23Å; K207-W602 HydrophobicContact CD-CD2 4.17Å; K207-W602 HydrophobicContact CD-CH2 4.36Å; K207-W602 HydrophobicContact CD-CZ2 3.99Å; K207-W602 HydrophobicContact CG-CD2 4.3Å; K207-W602 HydrophobicContact CG-CE3 4.16Å; K207-W602 HydrophobicContact CG-CH2 3.69Å; K207-W602 HydrophobicContact CG-CZ2 3.82Å; K207-W602 HydrophobicContact CG-CZ3 3.86Å; L210-W602 HydrophobicContact CD2-CZ3 4.4Å; L211-W602 HydrophobicContact CD1-CH2 4.49Å; L211-W602 HydrophobicContact CD1-CZ2 4.29Å; L211-W602 HydrophobicContact CD2-CH2 4.41Å; L211-W602 HydrophobicContact CG-CH2 4.25Å; V598-W602 HydrophobicContact CG1-CE3 3.68Å; V598-W602 HydrophobicContact CG1-CZ3 3.91Å; V598-W602 HydrophobicContact CG2-CE3 4.02Å; D599-W602 HydrophobicContact CB-CB 4.34Å; D599-W602 WeakPolarHBondContact OD2-CB 3.43Å; D599-W602 PolarHBondContact OD2-N 2.92Å; W602-T606 VanDerWaalsContact O-CB 3.32Å; W602-T606 WeakPolarHBondContact O-CB 3.32Å; W602-T606 PolarHBondContact O-N 2.99Å; W602-T606 PolarHBondContact O-OG1 3.05Å
603	W	94.8	Very high	92	Very high	11 Å²	11	66 Å²	66	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-41.9	177	-174.7	-114.5	0	0	0	112.5	L210 L319 Y568 V570 D580 V598 D599 A600 E601 T606 L607	L210-W603 HydrophobicContact CD1-CH2 4.16Å; L210-W603 HydrophobicContact CD1-CZ3 4.37Å; L210-W603 HydrophobicContact CD2-CE3 3.69Å; L210-W603 HydrophobicContact CD2-CH2 3.85Å; L210-W603 HydrophobicContact CD2-CZ3 3.31Å; L210-W603 HydrophobicContact CG-CE3 4.46Å; L210-W603 HydrophobicContact CG-CH2 3.88Å; L210-W603 HydrophobicContact CG-CZ3 3.6Å; L319-W603 HydrophobicContact CD1-CH2 4.44Å; Y568-W603 HydrophobicContact CD1-CD2 4.42Å; Y568-W603 HydrophobicContact CD1-CH2 4.5Å; Y568-W603 HydrophobicContact CD1-CZ2 4.03Å; Y568-W603 HydrophobicContact CE1-CD2 4.42Å; V570-W603 HydrophobicContact CG1-CH2 4.45Å; V570-W603 HydrophobicContact CG1-CZ2 3.9Å; D580-W603 PolarHBondContact OD2-NE1 3.12Å; V598-W603 HydrophobicContact CG1-CB 4.37Å; D599-W603 PolarHBondContact O-N 3.12Å; A600-W603 PolarHBondContact O-N 2.89Å; E601-W603 VanDerWaalsContact C-N 3.25Å; E601-W603 PolarHBondContact O-N 2.95Å; W603-T606 HydrophobicContact CE3-CG2 4.39Å; W603-T606 HydrophobicContact CZ3-CG2 4.31Å; W603-T606 PolarHBondContact O-N 3.49Å; W603-L607 HydrophobicContact CD2-CD1 4.46Å; W603-L607 HydrophobicContact CH2-CD2 4.38Å; W603-L607 HydrophobicContact CZ2-CD1 3.97Å; W603-L607 HydrophobicContact CZ2-CD2 4.3Å; W603-L607 HydrophobicContact CZ2-CG 4.32Å; W603-L607 PolarHBondContact O-N 2.75Å; W603-L607 VanDerWaalsContact O-N 3.13Å
604	A	93.6	Very high	91.9	Very high	49 Å²	49	70.8 Å²	70.8	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-40.8	174.8	0	0	0	0	0	111.8	A600 E601 T606 L607 R608	A600-A604 WeakPolarHBondContact O-CB 3.18Å; A600-A604 PolarHBondContact O-N 2.94Å; E601-A604 PolarHBondContact O-N 2.9Å; A604-T606 VanDerWaalsContact C-N 3.35Å; A604-L607 PolarHBondContact O-N 2.94Å; A604-R608 PolarHBondContact O-N 2.91Å
605	E	95.1	Very high	91.9	Very high	102 Å²	102	68.9 Å²	68.9	48%	0.477	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-40.7	174.2	-58.1	-133.2	114.5	0	0	112.1	E601 L607 R608	E601-E605 WeakPolarHBondContact O-CG 3.34Å; E601-E605 PolarHBondContact O-N 2.89Å; E605-L607 VanDerWaalsContact C-N 3.33Å; E605-L607 PolarHBondContact O-N 3.36Å; E605-R608 WeakPolarHBondContact O-CB 3.48Å; E605-R608 PolarHBondContact O-N 3.48Å; E605-R608 IonicContact OE1-CZ 2.77Å; E605-R608 VanDerWaalsContact OE1-CZ 3.3Å; E605-R608 IonicContact OE1-NH1 3.72Å; E605-R608 PolarHBondContact OE1-NH1 2.91Å; E605-R608 IonicContact OE1-NH2 3.83Å; E605-R608 PolarHBondContact OE1-NH2 3.41Å
606	T	94.8	Very high	92.1	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.16	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-37.6	178.6	-65.1	0	0	0	0	112.1	L211 W602 W603 A604 P609	L211-T606 HydrophobicContact CD2-CG2 3.53Å; W602-T606 VanDerWaalsContact O-CB 3.32Å; W602-T606 WeakPolarHBondContact O-CB 3.32Å; W602-T606 PolarHBondContact O-N 2.99Å; W602-T606 PolarHBondContact O-OG1 3.05Å; W603-T606 HydrophobicContact CE3-CG2 4.39Å; W603-T606 HydrophobicContact CZ3-CG2 4.31Å; W603-T606 PolarHBondContact O-N 3.49Å; A604-T606 VanDerWaalsContact C-N 3.35Å; T606-P609 WeakPolarHBondContact O-CD 3.25Å
607	L	94	Very high	92.2	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-85.7	-19.9	178.3	-64.1	-177.1	0	0	0	113.7	L214 V578 D580 W603 A604 E605 P609 Y610 Q611	L214-L607 HydrophobicContact CD2-CD2 4.04Å; V578-L607 HydrophobicContact CB-CD2 4.43Å; V578-L607 HydrophobicContact CG1-CD2 3.87Å; D580-L607 HydrophobicContact CB-CD1 4.18Å; W603-L607 HydrophobicContact CD2-CD1 4.46Å; W603-L607 HydrophobicContact CH2-CD2 4.38Å; W603-L607 HydrophobicContact CZ2-CD1 3.97Å; W603-L607 HydrophobicContact CZ2-CD2 4.3Å; W603-L607 HydrophobicContact CZ2-CG 4.32Å; W603-L607 PolarHBondContact O-N 2.75Å; W603-L607 VanDerWaalsContact O-N 3.13Å; A604-L607 PolarHBondContact O-N 2.94Å; E605-L607 VanDerWaalsContact C-N 3.33Å; E605-L607 PolarHBondContact O-N 3.36Å; L607-P609 VanDerWaalsContact C-N 3.33Å; L607-P609 VanDerWaalsContact O-N 3.14Å; L607-Y610 PolarHBondContact O-N 3.26Å; L607-Q611 PolarHBondContact O-N 2.9Å
608	R	93.8	Very high	92.2	Very high	138 Å²	138	69.7 Å²	69.7	52%	0.521	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-45.9	-42.3	-178.4	-165.5	-175.5	-68.8	146.2	0.3	114.6	A604 E605 Y610 Q611	A604-R608 PolarHBondContact O-N 2.91Å; E605-R608 WeakPolarHBondContact O-CB 3.48Å; E605-R608 PolarHBondContact O-N 3.48Å; E605-R608 IonicContact OE1-CZ 2.77Å; E605-R608 VanDerWaalsContact OE1-CZ 3.3Å; E605-R608 IonicContact OE1-NH1 3.72Å; E605-R608 PolarHBondContact OE1-NH1 2.91Å; E605-R608 IonicContact OE1-NH2 3.83Å; E605-R608 PolarHBondContact OE1-NH2 3.41Å; R608-Y610 PolarHBondContact O-N 3.41Å; R608-Q611 PolarHBondContact O-N 3.02Å
609	P	93.5	Very high	92.2	Very high	96 Å²	96	74.3 Å²	74.3	62%	0.623	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-69	-11.4	179.3	-20	34.3	0	0	0	115.3	T606 L607	T606-P609 WeakPolarHBondContact O-CD 3.25Å; L607-P609 VanDerWaalsContact C-N 3.33Å; L607-P609 VanDerWaalsContact O-N 3.14Å
610	Y	93.3	Very high	92.4	Very high	93 Å²	93	74.3 Å²	74.3	37%	0.365	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-119.2	11.8	-174.6	-51.3	-80.9	0	0	0	112.7	F218 W577 V578 L607 R608	F218-Y610 AromaticContact CE1-CD1 3.82Å; F218-Y610 HydrophobicContact CE1-CD1 3.82Å; F218-Y610 HydrophobicContact CE1-CE1 4.06Å; F218-Y610 HydrophobicContact CE1-CG 4.32Å; F218-Y610 HydrophobicContact CE2-CD1 4.32Å; F218-Y610 AromaticContact CE2-CE1 3.95Å; F218-Y610 HydrophobicContact CE2-CE1 3.95Å; F218-Y610 HydrophobicContact CE2-CE2 4.17Å; F218-Y610 AromaticContact CE2-CZ 3.87Å; F218-Y610 AromaticContact CZ-CD1 3.42Å; F218-Y610 HydrophobicContact CZ-CD1 3.42Å; F218-Y610 VanDerWaalsContact CZ-CD1 3.42Å; F218-Y610 AromaticContact CZ-CD2 3.94Å; F218-Y610 HydrophobicContact CZ-CD2 3.94Å; F218-Y610 AromaticContact CZ-CE1 3.48Å; F218-Y610 HydrophobicContact CZ-CE1 3.48Å; F218-Y610 VanDerWaalsContact CZ-CE1 3.48Å; F218-Y610 HydrophobicContact CZ-CE2 4.01Å; F218-Y610 AromaticContact CZ-CG 3.65Å; F218-Y610 HydrophobicContact CZ-CG 3.65Å; F218-Y610 AromaticContact CZ-CZ 3.78Å; W577-Y610 CarbonylContact C-O 3.59Å; W577-Y610 VanDerWaalsContact CA-O 3.29Å; W577-Y610 WeakPolarHBondContact CA-O 3.35Å; V578-Y610 HydrophobicContact CG2-CG 4.47Å; V578-Y610 PolarHBondContact N-O 3.44Å; L607-Y610 PolarHBondContact O-N 3.26Å; R608-Y610 PolarHBondContact O-N 3.41Å
611	Q	91.8	Very high	92.5	Very high	83 Å²	83	71.3 Å²	71.3	39%	0.388	35%	0.345	S	S	.	.			trans	-64.6	146.5	176	-73.2	176.4	-18.3	0	0	111.4	W577 L607 R608	W577-Q611 WeakPolarHBondContact CZ3-O 3.37Å; L607-Q611 PolarHBondContact O-N 2.9Å; R608-Q611 PolarHBondContact O-N 3.02Å
612	S	90.6	Very high	92.5	Very high	10 Å²	10	66.7 Å²	66.7	7%	0.07	33%	0.325	C	S	.	.			trans	-69.8	141.4	-179.5	-169.1	0	0	0	0	111.1	F614 E618	S612-F614 PolarHBondContact O-N 3.29Å; S612-F614 PolarHBondContact OG-N 2.9Å; S612-E618 VanDerWaalsContact CB-OE1 3.24Å; S612-E618 WeakPolarHBondContact CB-OE1 3.44Å; S612-E618 PolarHBondContact N-OE1 3.33Å
613	P	90	Very high	92.4	Very high	80 Å²	80	68.7 Å²	68.7	52%	0.519	34%	0.34	S	S	.	.	S	Bend	trans	-65.3	-17	168.5	28	-35.1	0	0	0	112.5	W577 M615	W577-P613 HydrophobicContact CZ2-CG 3.98Å; P613-M615 VanDerWaalsContact C-N 3.31Å; P613-M615 PolarHBondContact O-N 3.08Å; P613-M615 VanDerWaalsContact O-N 3.08Å
614	F	87.3	Confident	92.4	Very high	113 Å²	113	71.1 Å²	71.1	50%	0.496	35%	0.352	S	S	.	.			trans	-86.6	63.5	-178	-60.7	-73	0	0	0	112.5	S612 D616 R617 E618	S612-F614 PolarHBondContact O-N 3.29Å; S612-F614 PolarHBondContact OG-N 2.9Å; F614-D616 PolarHBondContact O-N 2.78Å; F614-R617 HydrophobicContact CB-CB 4.41Å; F614-R617 PolarHBondContact O-N 2.92Å; F614-E618 PolarHBondContact O-N 2.78Å
615	M	88.3	Confident	92.3	Very high	92 Å²	92	68.9 Å²	68.9	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-51.3	-33.6	-175.7	-61.9	-56.5	-59.7	0	0	114.3	P613 E618 K619	P613-M615 VanDerWaalsContact C-N 3.31Å; P613-M615 PolarHBondContact O-N 3.08Å; P613-M615 VanDerWaalsContact O-N 3.08Å; M615-E618 PolarHBondContact O-N 2.76Å; M615-K619 WeakPolarHBondContact O-CG 3.43Å; M615-K619 PolarHBondContact O-N 2.99Å
616	D	90.7	Very high	92.2	Very high	104 Å²	104	69.6 Å²	69.6	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-73.5	-29.7	-177.8	-59.9	-38.1	0	0	0	113.1	F614 K619 K620	F614-D616 PolarHBondContact O-N 2.78Å; D616-K619 IonicContact OD1-NZ 3.13Å; D616-K619 PolarHBondContact OD1-NZ 3.28Å; D616-K620 WeakPolarHBondContact O-CG 3.36Å; D616-K620 PolarHBondContact O-N 2.65Å; D616-K620 VanDerWaalsContact O-N 3.13Å
617	R	90.6	Very high	92.2	Very high	57 Å²	57	70.8 Å²	70.8	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-67.9	-40.6	170.5	-173.8	-174.9	-71.1	137	-2.8	110.3	L312 F535 F614 K620 E621	L312-R617 VanDerWaalsContact CD2-CZ 3.46Å; L312-R617 VanDerWaalsContact CD2-NH1 3.26Å; F535-R617 HydrophobicContact CD2-CG 4.37Å; F535-R617 HydrophobicContact CE2-CG 3.7Å; F535-R617 HydrophobicContact CZ-CG 4.05Å; F614-R617 HydrophobicContact CB-CB 4.41Å; F614-R617 PolarHBondContact O-N 2.92Å; R617-K620 PolarHBondContact O-N 3.18Å; R617-E621 WeakPolarHBondContact O-CB 3.21Å; R617-E621 PolarHBondContact O-N 2.84Å
618	E	91.2	Very high	92.1	Very high	9 Å²	9	72.7 Å²	72.7	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-41.4	176.6	-65	-160.1	156.1	0	0	112.3	R579 S612 F614 M615 K620 E621 D622	R579-E618 IonicContact CZ-OE2 2.64Å; R579-E618 IonicContact NH1-OE1 2.65Å; R579-E618 IonicContact NH1-OE2 3.64Å; R579-E618 PolarHBondContact NH1-OE2 2.8Å; S612-E618 VanDerWaalsContact CB-OE1 3.24Å; S612-E618 WeakPolarHBondContact CB-OE1 3.44Å; S612-E618 PolarHBondContact N-OE1 3.33Å; F614-E618 PolarHBondContact O-N 2.78Å; M615-E618 PolarHBondContact O-N 2.76Å; E618-K620 PolarHBondContact O-N 3.37Å; E618-E621 WeakPolarHBondContact O-CB 3.38Å; E618-E621 PolarHBondContact O-N 2.92Å; E618-D622 PolarHBondContact O-N 3.23Å
619	K	93.1	Very high	91.9	Very high	113 Å²	113	66.5 Å²	66.5	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-42.4	173.4	-69.4	168.7	-162.2	160.7	0	112.4	M615 D616 E621 D622 L623	M615-K619 WeakPolarHBondContact O-CG 3.43Å; M615-K619 PolarHBondContact O-N 2.99Å; D616-K619 IonicContact OD1-NZ 3.13Å; D616-K619 PolarHBondContact OD1-NZ 3.28Å; K619-E621 VanDerWaalsContact C-N 3.32Å; K619-D622 PolarHBondContact O-N 2.92Å; K619-L623 WeakPolarHBondContact O-CG 3.33Å; K619-L623 PolarHBondContact O-N 3.18Å
620	K	93.3	Very high	91.7	Very high	90 Å²	90	67.5 Å²	67.5	39%	0.391	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-39.9	175.9	-72.3	179.9	-173.2	-168.9	0	111.5	E540 D616 R617 E618 L623 E624	E540-K620 IonicContact OE1-NZ 3.99Å; E540-K620 PolarHBondContact OE1-NZ 3.46Å; E540-K620 IonicContact OE2-NZ 2.72Å; E540-K620 PolarHBondContact OE2-NZ 2.95Å; D616-K620 WeakPolarHBondContact O-CG 3.36Å; D616-K620 PolarHBondContact O-N 2.65Å; D616-K620 VanDerWaalsContact O-N 3.13Å; R617-K620 PolarHBondContact O-N 3.18Å; E618-K620 PolarHBondContact O-N 3.37Å; K620-L623 PolarHBondContact O-N 2.86Å; K620-E624 PolarHBondContact O-N 2.77Å
621	E	94	Very high	91.6	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-37.5	174.3	177.8	158.6	-127.1	0	0	112.5	R314 W542 R584 R617 E618 K619 E624 F625	R314-E621 IonicContact CZ-OE1 2.77Å; R314-E621 IonicContact CZ-OE2 3.15Å; R314-E621 IonicContact NH1-OE1 3.84Å; R314-E621 PolarHBondContact NH1-OE1 2.91Å; R314-E621 IonicContact NH1-OE2 2.68Å; R314-E621 PolarHBondContact NH1-OE2 2.72Å; R314-E621 VanDerWaalsContact NH1-OE2 3.13Å; R314-E621 IonicContact NH2-OE1 2.81Å; R314-E621 IonicContact NH2-OE2 2.85Å; R314-E621 PolarHBondContact NH2-OE2 2.71Å; W542-E621 VanDerWaalsContact CD1-OE1 3.27Å; R584-E621 IonicContact CZ-OE1 3.4Å; R584-E621 VanDerWaalsContact CZ-OE1 3.25Å; R584-E621 IonicContact NH1-OE1 2.65Å; R584-E621 PolarHBondContact NH1-OE1 2.67Å; R584-E621 IonicContact NH2-OE1 3.31Å; R584-E621 PolarHBondContact NH2-OE1 3.21Å; R617-E621 WeakPolarHBondContact O-CB 3.21Å; R617-E621 PolarHBondContact O-N 2.84Å; E618-E621 WeakPolarHBondContact O-CB 3.38Å; E618-E621 PolarHBondContact O-N 2.92Å; K619-E621 VanDerWaalsContact C-N 3.32Å; E621-E624 WeakPolarHBondContact O-CB 3.14Å; E621-E624 PolarHBondContact O-N 2.77Å; E621-F625 HydrophobicContact CG-CD2 4.48Å; E621-F625 HydrophobicContact CG-CE1 4.03Å; E621-F625 HydrophobicContact CG-CE2 3.7Å; E621-F625 HydrophobicContact CG-CZ 3.42Å; E621-F625 VanDerWaalsContact CG-CZ 3.42Å; E621-F625 WeakPolarHBondContact O-CD1 3.18Å; E621-F625 WeakPolarHBondContact O-CD2 3.39Å; E621-F625 VanDerWaalsContact O-CG 3.25Å; E621-F625 WeakPolarHBondContact O-CG 3.14Å; E621-F625 PolarHBondContact O-N 3.11Å; E621-F625 VanDerWaalsContact O-N 3.09Å
622	D	93.8	Very high	91.5	Very high	53 Å²	53	68.2 Å²	68.2	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-37.6	172.6	-75.1	-34.1	0	0	0	113.1	R579 E618 K619 F625 Q626	R579-D622 IonicContact CZ-OD1 3.54Å; R579-D622 IonicContact CZ-OD2 3.06Å; R579-D622 IonicContact NH2-OD1 2.69Å; R579-D622 PolarHBondContact NH2-OD1 3.42Å; R579-D622 IonicContact NH2-OD2 3.09Å; R579-D622 PolarHBondContact NH2-OD2 3.44Å; E618-D622 PolarHBondContact O-N 3.23Å; K619-D622 PolarHBondContact O-N 2.92Å; D622-F625 PolarHBondContact O-N 2.78Å; D622-Q626 VanDerWaalsContact O-CG 3.28Å; D622-Q626 WeakPolarHBondContact O-CG 3.29Å; D622-Q626 PolarHBondContact O-N 3.23Å
623	L	94	Very high	91.5	Very high	108 Å²	108	73.4 Å²	73.4	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-66.3	-38.4	174.1	-69.2	170.7	0	0	0	111.8	K619 K620 F625 Q626 A627	K619-L623 WeakPolarHBondContact O-CG 3.33Å; K619-L623 PolarHBondContact O-N 3.18Å; K620-L623 PolarHBondContact O-N 2.86Å; L623-F625 VanDerWaalsContact C-N 3.33Å; L623-F625 PolarHBondContact O-N 3.01Å; L623-Q626 PolarHBondContact O-N 3.14Å; L623-A627 WeakPolarHBondContact O-CB 3.36Å; L623-A627 PolarHBondContact O-N 2.87Å
624	E	92.8	Very high	91.6	Very high	61 Å²	61	72.4 Å²	72.4	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-56.5	-47.1	171	-174.1	-156.7	141.5	0	0	110.7	R584 K620 E621 K628	R584-E624 IonicContact CZ-OE1 2.74Å; R584-E624 IonicContact CZ-OE2 3.5Å; R584-E624 IonicContact NE-OE1 3.77Å; R584-E624 PolarHBondContact NE-OE1 3.46Å; R584-E624 VanDerWaalsContact NE-OE1 3.09Å; R584-E624 IonicContact NE-OE2 3.21Å; R584-E624 IonicContact NH2-OE1 3.15Å; R584-E624 PolarHBondContact NH2-OE1 3.44Å; R584-E624 IonicContact NH2-OE2 3.81Å; R584-E624 PolarHBondContact NH2-OE2 2.93Å; K620-E624 PolarHBondContact O-N 2.77Å; E621-E624 WeakPolarHBondContact O-CB 3.14Å; E621-E624 PolarHBondContact O-N 2.77Å; E624-K628 WeakPolarHBondContact O-CB 3.46Å; E624-K628 PolarHBondContact O-N 3.39Å
625	F	93.4	Very high	91.7	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-45.4	179	-60.1	-18.4	0	0	0	111.9	Q583 R584 E621 D622 L623 K628 H629	Q583-F625 HydrophobicContact CB-CB 4.07Å; Q583-F625 HydrophobicContact CB-CD1 4.17Å; Q583-F625 HydrophobicContact CB-CD2 3.79Å; Q583-F625 HydrophobicContact CB-CE2 4.24Å; Q583-F625 HydrophobicContact CB-CG 3.74Å; Q583-F625 HydrophobicContact CG-CD2 4.29Å; R584-F625 HydrophobicContact CB-CE1 3.75Å; R584-F625 HydrophobicContact CB-CZ 4.3Å; R584-F625 HydrophobicContact CG-CE1 4.49Å; E621-F625 HydrophobicContact CG-CD2 4.48Å; E621-F625 HydrophobicContact CG-CE1 4.03Å; E621-F625 HydrophobicContact CG-CE2 3.7Å; E621-F625 HydrophobicContact CG-CZ 3.42Å; E621-F625 VanDerWaalsContact CG-CZ 3.42Å; E621-F625 WeakPolarHBondContact O-CD1 3.18Å; E621-F625 WeakPolarHBondContact O-CD2 3.39Å; E621-F625 VanDerWaalsContact O-CG 3.25Å; E621-F625 WeakPolarHBondContact O-CG 3.14Å; E621-F625 PolarHBondContact O-N 3.11Å; E621-F625 VanDerWaalsContact O-N 3.09Å; D622-F625 PolarHBondContact O-N 2.78Å; L623-F625 VanDerWaalsContact C-N 3.33Å; L623-F625 PolarHBondContact O-N 3.01Å; F625-K628 PolarHBondContact O-N 3.25Å; F625-H629 PolarHBondContact O-CD2 3.28Å; F625-H629 PolarHBondContact O-N 3.35Å
626	Q	92.8	Very high	91.8	Very high	117 Å²	117	69.4 Å²	69.4	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-49.1	177.7	-72.9	172.3	36.3	0	0	111.5	D622 L623 K628 H629 M630	D622-Q626 VanDerWaalsContact O-CG 3.28Å; D622-Q626 WeakPolarHBondContact O-CG 3.29Å; D622-Q626 PolarHBondContact O-N 3.23Å; L623-Q626 PolarHBondContact O-N 3.14Å; Q626-K628 PolarHBondContact O-N 3.02Å; Q626-H629 PolarHBondContact O-N 3.24Å; Q626-H629 VanDerWaalsContact O-N 3.12Å; Q626-M630 WeakPolarHBondContact O-CG 3.23Å; Q626-M630 PolarHBondContact O-N 3.33Å
627	A	93.3	Very high	91.8	Very high	51 Å²	51	66.2 Å²	66.2	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-56.7	-50.6	176	0	0	0	0	0	111.4	L623 H629 M630 D631	L623-A627 WeakPolarHBondContact O-CB 3.36Å; L623-A627 PolarHBondContact O-N 2.87Å; A627-H629 PolarHBondContact O-N 3.33Å; A627-H629 VanDerWaalsContact O-N 3.14Å; A627-M630 PolarHBondContact O-N 3.41Å; A627-D631 PolarHBondContact O-N 2.81Å
628	K	91.7	Very high	91.9	Very high	53 Å²	53	64.6 Å²	64.6	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-56.5	-32	176.9	-174.7	-165.1	165.9	-162.5	0	113.2	Q583 R584 E624 F625 Q626 Q632	Q583-K628 PolarHBondContact O-NZ 3Å; R584-K628 VanDerWaalsContact C-NZ 3.26Å; R584-K628 PolarHBondContact O-NZ 2.78Å; E624-K628 WeakPolarHBondContact O-CB 3.46Å; E624-K628 PolarHBondContact O-N 3.39Å; F625-K628 PolarHBondContact O-N 3.25Å; Q626-K628 PolarHBondContact O-N 3.02Å; K628-Q632 WeakPolarHBondContact O-CG 3.49Å; K628-Q632 PolarHBondContact O-NE2 2.92Å
629	H	90.4	Very high	91.9	Very high	7 Å²	7	66.8 Å²	66.8	3%	0.032	37%	0.371	C	S	.	.	H	α-helix	trans	-82.3	-29.3	177.7	-70	-54.1	0	0	0	113.5	W589 M590 F625 Q626 A627 Q632 L646	W589-H629 WeakPolarHBondContact CB-NE2 3.46Å; W589-H629 AromaticContact CD1-NE2 3.32Å; W589-H629 VanDerWaalsContact CD1-NE2 3.32Å; W589-H629 AromaticContact CG-NE2 3.53Å; M590-H629 HydrophobicContact CE-CB 3.73Å; M590-H629 VanDerWaalsContact CE-CD2 3.43Å; M590-H629 WeakPolarHBondContact CE-CD2 3.46Å; M590-H629 VanDerWaalsContact CE-CG 3.4Å; F625-H629 PolarHBondContact O-CD2 3.28Å; F625-H629 PolarHBondContact O-N 3.35Å; Q626-H629 PolarHBondContact O-N 3.24Å; Q626-H629 VanDerWaalsContact O-N 3.12Å; A627-H629 PolarHBondContact O-N 3.33Å; A627-H629 VanDerWaalsContact O-N 3.14Å; H629-Q632 PolarHBondContact CE1-NE2 3.47Å; H629-Q632 PolarHBondContact CE1-OE1 3.14Å; H629-Q632 PolarHBondContact ND1-NE2 3.39Å; H629-Q632 VanDerWaalsContact ND1-NE2 3.12Å; H629-L646 HydrophobicContact CB-CD1 4.46Å
630	M	90.4	Very high	91.7	Very high	118 Å²	118	64.1 Å²	64.1	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-75	-32.8	173.1	-65.7	-60.9	-73.8	0	0	112.2	Q626 A627 Q632 L646	Q626-M630 WeakPolarHBondContact O-CG 3.23Å; Q626-M630 PolarHBondContact O-N 3.33Å; A627-M630 PolarHBondContact O-N 3.41Å; M630-Q632 PolarHBondContact O-N 3.16Å; M630-L646 HydrophobicContact SD-CD1 3.99Å
631	D	91.2	Very high	91.7	Very high	138 Å²	138	60 Å²	60	74%	0.738	34%	0.344	S	S	*	.	S	Bend	trans	-72.6	-10	174.8	-70	-21.4	0	0	0	113.6	A627	A627-D631 PolarHBondContact O-N 2.81Å
632	Q	88.9	Confident	91.5	Very high	52 Å²	52	64.4 Å²	64.4	24%	0.243	36%	0.363	C	S	.	.	S	Bend	trans	-72	139	179.3	-84.8	163.8	48.5	0	0	111.9	K628 H629 M630	K628-Q632 WeakPolarHBondContact O-CG 3.49Å; K628-Q632 PolarHBondContact O-NE2 2.92Å; H629-Q632 PolarHBondContact CE1-NE2 3.47Å; H629-Q632 PolarHBondContact CE1-OE1 3.14Å; H629-Q632 PolarHBondContact ND1-NE2 3.39Å; H629-Q632 VanDerWaalsContact ND1-NE2 3.12Å; M630-Q632 PolarHBondContact O-N 3.16Å
633	P	90.9	Very high	91.3	Very high	119 Å²	119	67 Å²	67	77%	0.773	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-65.2	140.2	178.5	27.9	-34.9	0	0	0	111.3
634	L	90.9	Very high	91.2	Very high	60 Å²	60	62.2 Å²	62.2	31%	0.314	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-51.3	132.8	177.8	-68.2	175.1	0	0	0	111.5	T636 Y647	L634-T636 PolarHBondContact O-N 2.9Å; L634-Y647 HydrophobicContact CD2-CD1 4.41Å; L634-Y647 HydrophobicContact CD2-CD2 4.13Å; L634-Y647 HydrophobicContact CD2-CE1 3.98Å; L634-Y647 HydrophobicContact CD2-CE2 3.66Å
635	P	90.7	Very high	91.2	Very high	18 Å²	18	61.2 Å²	61.2	12%	0.117	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-55	131.2	-177.4	-26.3	31.8	0	0	0	113.7	T591 L640 Y641	T591-P635 HydrophobicContact CG2-CG 4.36Å; P635-L640 HydrophobicContact CB-CB 3.85Å; P635-L640 HydrophobicContact CB-CD1 4Å; P635-Y641 HydrophobicContact CB-CD2 4.28Å; P635-Y641 HydrophobicContact CB-CE2 3.73Å; P635-Y641 WeakPolarHBondContact CD-OH 3.36Å; P635-Y641 HydrophobicContact CG-CE1 4.3Å; P635-Y641 HydrophobicContact CG-CE2 4.37Å; P635-Y641 WeakPolarHBondContact O-CE2 3.38Å; P635-Y641 VanDerWaalsContact O-CZ 3.28Å; P635-Y641 PolarHBondContact O-OH 2.87Å
636	T	89.2	Confident	91.1	Very high	123 Å²	123	63.2 Å²	63.2	76%	0.755	36%	0.361	S	S	*	.	S	Bend	trans	-82.4	-16.1	-176.8	-32.2	0	0	0	0	113.5	L634	L634-T636 PolarHBondContact O-N 2.9Å
637	A	91.5	Very high	91.2	Very high	38 Å²	38	58.7 Å²	58.7	31%	0.314	34%	0.339	S	S	.	.	S	Bend	trans	-111.8	125.1	-177.7	0	0	0	0	0	110.9	G639 L640	A637-G639 VanDerWaalsContact C-N 3.27Å; A637-G639 PolarHBondContact O-N 3.12Å; A637-L640 HydrophobicContact CB-CD1 4.01Å; A637-L640 HydrophobicContact CB-CG 4.14Å; A637-L640 WeakPolarHBondContact O-CB 3.38Å; A637-L640 PolarHBondContact O-N 3.15Å
638	I	92.4	Very high	91.2	Very high	22 Å²	22	56.5 Å²	56.5	11%	0.113	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-53.2	-42.4	-175.2	-61.1	-179	0	0	0	112.3	L640 Y641 L649 H652 R671	I638-L640 PolarHBondContact O-N 3.49Å; I638-Y641 WeakPolarHBondContact O-CB 3.25Å; I638-Y641 PolarHBondContact O-N 2.81Å; I638-L649 HydrophobicContact CG2-CD1 3.87Å; I638-H652 PolarHBondContact O-CE1 3.27Å; I638-R671 HydrophobicContact CD1-CB 4.22Å; I638-R671 HydrophobicContact CD1-CG 4.4Å; I638-R671 HydrophobicContact CG1-CG 4.41Å
639	G	90.6	Very high	91.4	Very high	56 Å²	56	54 Å²	54	58%	0.577	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.1	-178.8	0	0	0	0	0	115.1	A637 Y641 K642	A637-G639 VanDerWaalsContact C-N 3.27Å; A637-G639 PolarHBondContact O-N 3.12Å; G639-Y641 VanDerWaalsContact C-N 3.33Å; G639-K642 PolarHBondContact O-N 3.32Å
640	L	90.3	Very high	91.5	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.293	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-73.4	-25.9	176.4	-58.1	175.7	0	0	0	112.2	T591 V592 P635 A637 I638 K642	T591-L640 HydrophobicContact CG2-CB 3.98Å; V592-L640 HydrophobicContact CG2-CD2 4.39Å; P635-L640 HydrophobicContact CB-CB 3.85Å; P635-L640 HydrophobicContact CB-CD1 4Å; A637-L640 HydrophobicContact CB-CD1 4.01Å; A637-L640 HydrophobicContact CB-CG 4.14Å; A637-L640 WeakPolarHBondContact O-CB 3.38Å; A637-L640 PolarHBondContact O-N 3.15Å; I638-L640 PolarHBondContact O-N 3.49Å; L640-K642 VanDerWaalsContact C-N 3.3Å; L640-K642 PolarHBondContact O-N 2.97Å
641	Y	92.1	Very high	91.6	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.016	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-77.3	-8.6	174.7	-64.5	-91.2	0	0	0	113.8	P635 I638 G639 N643 H644 Y647 L649 H652 C670 V675	P635-Y641 HydrophobicContact CB-CD2 4.28Å; P635-Y641 HydrophobicContact CB-CE2 3.73Å; P635-Y641 WeakPolarHBondContact CD-OH 3.36Å; P635-Y641 HydrophobicContact CG-CE1 4.3Å; P635-Y641 HydrophobicContact CG-CE2 4.37Å; P635-Y641 WeakPolarHBondContact O-CE2 3.38Å; P635-Y641 VanDerWaalsContact O-CZ 3.28Å; P635-Y641 PolarHBondContact O-OH 2.87Å; I638-Y641 WeakPolarHBondContact O-CB 3.25Å; I638-Y641 PolarHBondContact O-N 2.81Å; G639-Y641 VanDerWaalsContact C-N 3.33Å; Y641-N643 PolarHBondContact O-N 2.63Å; Y641-H644 PolarHBondContact O-N 2.74Å; Y641-Y647 HydrophobicContact CE1-CD2 4.33Å; Y641-Y647 HydrophobicContact CE1-CG 4.46Å; Y641-L649 HydrophobicContact CD1-CD1 4.45Å; Y641-L649 HydrophobicContact CD1-CG 4.17Å; Y641-L649 HydrophobicContact CD2-CD1 3.76Å; Y641-L649 HydrophobicContact CD2-CG 4.35Å; Y641-L649 HydrophobicContact CE2-CD1 4.48Å; Y641-L649 HydrophobicContact CG-CD1 3.74Å; Y641-L649 HydrophobicContact CG-CG 3.91Å; Y641-H652 PolarHBondContact O-ND1 3.08Å; Y641-C670 HydrophobicContact CE2-CB 3.76Å; Y641-V675 HydrophobicContact CD1-CG1 4.38Å; Y641-V675 HydrophobicContact CE1-CB 4.48Å; Y641-V675 HydrophobicContact CE1-CG1 3.74Å; Y641-V675 HydrophobicContact CE1-CG2 3.83Å
642	K	90.7	Very high	91.7	Very high	97 Å²	97	55.9 Å²	55.9	42%	0.422	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	115.8	174.8	-173.8	173.1	-179.2	177.1	0	108	K595 G639 L640 H644	K595-K642 VanDerWaalsContact CE-O 3.25Å; K595-K642 WeakPolarHBondContact CE-O 3.28Å; K595-K642 PolarHBondContact NZ-O 2.99Å; G639-K642 PolarHBondContact O-N 3.32Å; L640-K642 VanDerWaalsContact C-N 3.3Å; L640-K642 PolarHBondContact O-N 2.97Å; K642-H644 VanDerWaalsContact C-N 3.3Å; K642-H644 PolarHBondContact O-N 2.9Å
643	N	88.4	Confident	91.9	Very high	106 Å²	106	55.3 Å²	55.3	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	38.4	-177.6	-51.6	18.4	0	0	0	113	Y641	Y641-N643 PolarHBondContact O-N 2.63Å
644	H	92.3	Very high	92.1	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.037	28%	0.284	C	S	.	.			trans	-75.9	137.9	172.9	-170	-92.2	0	0	0	110.2	M590 Y641 K642 L646 Y647	M590-H644 WeakPolarHBondContact CB-NE2 3.44Å; M590-H644 PolarHBondContact O-CD2 3.1Å; M590-H644 VanDerWaalsContact O-CD2 3.28Å; Y641-H644 PolarHBondContact O-N 2.74Å; K642-H644 VanDerWaalsContact C-N 3.3Å; K642-H644 PolarHBondContact O-N 2.9Å; H644-L646 PolarHBondContact ND1-N 3.33Å; H644-Y647 AromaticContact CE1-CD2 3.21Å; H644-Y647 WeakPolarHBondContact CE1-CD2 3.35Å; H644-Y647 AromaticContact CE1-CE2 3.69Å; H644-Y647 AromaticContact CE1-CG 3.98Å; H644-Y647 AromaticContact ND1-CD2 3.4Å; H644-Y647 WeakPolarHBondContact ND1-CD2 3.49Å; H644-Y647 AromaticContact ND1-CG 3.74Å; H644-Y647 PolarHBondContact ND1-N 3.33Å
645	P	92.1	Very high	92.1	Very high	40 Å²	40	53.3 Å²	53.3	26%	0.26	28%	0.283	S	S	.	.	S	Bend	trans	-69.7	-37.3	-173.6	24.7	-32.3	0	0	0	113.6	M590 R678	M590-P645 HydrophobicContact CB-CG 4.29Å; M590-P645 HydrophobicContact CG-CG 4.4Å; M590-P645 VanDerWaalsContact O-CD 3.31Å; M590-P645 WeakPolarHBondContact O-CD 3.4Å; M590-P645 HydrophobicContact SD-CB 4.45Å; M590-P645 HydrophobicContact SD-CG 3.32Å; M590-P645 WeakPolarHBondContact SD-CG 3.22Å; P645-R678 WeakPolarHBondContact O-CB 3.29Å; P645-R678 WeakPolarHBondContact O-CG 3.31Å
646	L	92.6	Very high	92.3	Very high	44 Å²	44	56 Å²	56	23%	0.23	29%	0.292	C	S	.	.	S	Bend	trans	-96.7	-18.3	-175.6	-59.1	175.6	0	0	0	114.7	M590 H629 M630 H644 S677 R678	M590-L646 HydrophobicContact CE-CD1 4.34Å; H629-L646 HydrophobicContact CB-CD1 4.46Å; M630-L646 HydrophobicContact SD-CD1 3.99Å; H644-L646 PolarHBondContact ND1-N 3.33Å; L646-S677 PolarHBondContact O-OG 3.33Å; L646-R678 PolarHBondContact O-N 3.17Å
647	Y	94.1	Very high	92.5	Very high	22 Å²	22	50.7 Å²	50.7	9%	0.086	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.4	-165.7	-56.3	-45.7	0	0	0	111.9	L634 Y641 H644 L667 V675 Y676	L634-Y647 HydrophobicContact CD2-CD1 4.41Å; L634-Y647 HydrophobicContact CD2-CD2 4.13Å; L634-Y647 HydrophobicContact CD2-CE1 3.98Å; L634-Y647 HydrophobicContact CD2-CE2 3.66Å; Y641-Y647 HydrophobicContact CE1-CD2 4.33Å; Y641-Y647 HydrophobicContact CE1-CG 4.46Å; H644-Y647 AromaticContact CE1-CD2 3.21Å; H644-Y647 WeakPolarHBondContact CE1-CD2 3.35Å; H644-Y647 AromaticContact CE1-CE2 3.69Å; H644-Y647 AromaticContact CE1-CG 3.98Å; H644-Y647 AromaticContact ND1-CD2 3.4Å; H644-Y647 WeakPolarHBondContact ND1-CD2 3.49Å; H644-Y647 AromaticContact ND1-CG 3.74Å; H644-Y647 PolarHBondContact ND1-N 3.33Å; Y647-L667 HydrophobicContact CD1-CD1 3.81Å; Y647-L667 HydrophobicContact CE1-CD1 3.83Å; Y647-V675 HydrophobicContact CD1-CG1 4.3Å; Y647-V675 HydrophobicContact CG-CG1 4.18Å; Y647-Y676 WeakPolarHBondContact CA-O 3.21Å
648	A	94.8	Very high	92.7	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.8	176.6	0	0	0	0	0	112	Y676 V681	A648-Y676 PolarHBondContact N-O 3.14Å; A648-Y676 PolarHBondContact O-N 2.75Å; A648-V681 HydrophobicContact CB-CG2 3.44Å; A648-V681 VanDerWaalsContact CB-CG2 3.44Å
649	L	94.7	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.1	168	-70.2	176.3	0	0	0	108.9	I638 Y641 R651 H652 E673 A674 V675	I638-L649 HydrophobicContact CG2-CD1 3.87Å; Y641-L649 HydrophobicContact CD1-CD1 4.45Å; Y641-L649 HydrophobicContact CD1-CG 4.17Å; Y641-L649 HydrophobicContact CD2-CD1 3.76Å; Y641-L649 HydrophobicContact CD2-CG 4.35Å; Y641-L649 HydrophobicContact CE2-CD1 4.48Å; Y641-L649 HydrophobicContact CG-CD1 3.74Å; Y641-L649 HydrophobicContact CG-CG 3.91Å; L649-R651 HydrophobicContact CB-CG 3.88Å; L649-R651 HydrophobicContact CD1-CG 4.4Å; L649-R651 PolarHBondContact O-N 3.46Å; L649-H652 PolarHBondContact O-N 2.99Å; L649-E673 HydrophobicContact CD2-CB 4.15Å; L649-A674 WeakPolarHBondContact CD2-O 3.46Å; L649-V675 HydrophobicContact CD2-CB 4.48Å; L649-V675 HydrophobicContact CD2-CG2 3.84Å
650	K	93.3	Very high	92.9	Very high	121 Å²	121	50.2 Å²	50.2	53%	0.526	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-52.4	-32	178.5	-82.2	175.1	169.4	170.3	0	113.7	H652 L653 I659 Y676	K650-H652 VanDerWaalsContact C-N 3.31Å; K650-H652 PolarHBondContact O-N 3.1Å; K650-L653 HydrophobicContact CG-CD1 4.29Å; K650-I659 HydrophobicContact CD-CD1 4.4Å; K650-I659 HydrophobicContact CG-CD1 3.6Å; K650-Y676 HydrophobicContact CD-CE2 3.8Å; K650-Y676 WeakPolarHBondContact CE-OH 3.35Å; K650-Y676 HydrophobicContact CG-CD2 4.4Å; K650-Y676 HydrophobicContact CG-CE2 3.9Å; K650-Y676 PolarHBondContact NZ-OH 3.4Å
651	R	92.5	Very high	93.1	Very high	133 Å²	133	50.2 Å²	50.2	50%	0.502	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-70.1	-17.6	176.8	65.4	158.3	68	-158	-1.2	115.8	L649 E673	L649-R651 HydrophobicContact CB-CG 3.88Å; L649-R651 HydrophobicContact CD1-CG 4.4Å; L649-R651 PolarHBondContact O-N 3.46Å; R651-E673 WeakPolarHBondContact CD-OE2 3.47Å; R651-E673 VanDerWaalsContact CG-OE2 3.31Å; R651-E673 WeakPolarHBondContact CG-OE2 3.39Å; R651-E673 IonicContact CZ-OE1 2.71Å; R651-E673 IonicContact CZ-OE2 3.92Å; R651-E673 IonicContact NE-OE1 2.64Å; R651-E673 PolarHBondContact NE-OE1 2.9Å; R651-E673 IonicContact NE-OE2 3.74Å; R651-E673 PolarHBondContact NE-OE2 3.31Å; R651-E673 IonicContact NH2-OE1 2.7Å; R651-E673 PolarHBondContact NH2-OE1 3.08Å; R651-E673 IonicContact NH2-OE2 3.91Å
652	H	93.4	Very high	92.8	Very high	50 Å²	50	57.1 Å²	57.1	23%	0.231	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-107.5	0.8	-176.8	-61.7	154	0	0	0	112.6	I638 Y641 L649 K650 L654	I638-H652 PolarHBondContact O-CE1 3.27Å; Y641-H652 PolarHBondContact O-ND1 3.08Å; L649-H652 PolarHBondContact O-N 2.99Å; K650-H652 VanDerWaalsContact C-N 3.31Å; K650-H652 PolarHBondContact O-N 3.1Å; H652-L654 PolarHBondContact O-N 2.89Å
653	L	93.4	Very high	92.8	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.209	29%	0.286	C	S	.	.			trans	-65.5	130	173.6	-60.6	174.3	0	0	0	109.2	K650 E657 I659 V681	K650-L653 HydrophobicContact CG-CD1 4.29Å; L653-E657 WeakPolarHBondContact CA-OE2 3.24Å; L653-E657 HydrophobicContact CB-CB 4.27Å; L653-E657 HydrophobicContact CD2-CB 4.46Å; L653-I659 HydrophobicContact CD1-CD1 3.86Å; L653-I659 HydrophobicContact CD1-CG1 3.91Å; L653-I659 HydrophobicContact CD2-CG1 4.19Å; L653-V681 HydrophobicContact CD2-CB 4.32Å; L653-V681 HydrophobicContact CD2-CG1 3.58Å; L653-V681 HydrophobicContact CD2-CG2 3.69Å
654	L	93.2	Very high	92.9	Very high	67 Å²	67	54 Å²	54	35%	0.351	26%	0.264	S	S	.	.			trans	-67	167	178.3	-62.4	167.6	0	0	0	111.7	H652 Y656 E657 K705	H652-L654 PolarHBondContact O-N 2.89Å; L654-Y656 PolarHBondContact O-N 2.91Å; L654-Y656 VanDerWaalsContact O-N 3.09Å; L654-E657 HydrophobicContact CB-CB 4.32Å; L654-E657 HydrophobicContact CB-CG 3.96Å; L654-E657 HydrophobicContact CD1-CG 4.45Å; L654-E657 PolarHBondContact N-OE2 2.97Å; L654-E657 VanDerWaalsContact N-OE2 3.11Å; L654-E657 PolarHBondContact O-N 3.39Å; L654-K705 PolarHBondContact O-NZ 3.32Å
655	K	91.5	Very high	93	Very high	70 Å²	70	57.2 Å²	57.2	30%	0.304	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-39.4	178.9	-177.5	-178.3	174.8	-162.1	0	112	K705 V707 K708	K655-K705 WeakPolarHBondContact O-CE 3.19Å; K655-K705 PolarHBondContact O-NZ 3.2Å; K655-V707 HydrophobicContact CD-CG1 4.13Å; K655-V707 HydrophobicContact CG-CG1 3.78Å; K655-K708 PolarHBondContact NZ-O 3.46Å
656	Y	94.5	Very high	93	Very high	75 Å²	75	59 Å²	59	29%	0.294	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7	-178	-59.5	-76.8	0	0	0	114	L654 L684 L732	L654-Y656 PolarHBondContact O-N 2.91Å; L654-Y656 VanDerWaalsContact O-N 3.09Å; Y656-L684 WeakPolarHBondContact O-CB 3.39Å; Y656-L684 PolarHBondContact O-N 3.16Å; Y656-L732 HydrophobicContact CD1-CD1 3.55Å; Y656-L732 HydrophobicContact CD1-CD2 3.8Å; Y656-L732 HydrophobicContact CD1-CG 4.34Å; Y656-L732 HydrophobicContact CE1-CD1 4.12Å; Y656-L732 HydrophobicContact CE1-CD2 3.96Å; Y656-L732 HydrophobicContact CG-CD1 4.5Å
657	E	94.9	Very high	93	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.047	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	154.2	174.1	-72.9	-179	160.9	0	0	112.2	L653 L654 R678 V681 H682 T683 K705	L653-E657 WeakPolarHBondContact CA-OE2 3.24Å; L653-E657 HydrophobicContact CB-CB 4.27Å; L653-E657 HydrophobicContact CD2-CB 4.46Å; L654-E657 HydrophobicContact CB-CB 4.32Å; L654-E657 HydrophobicContact CB-CG 3.96Å; L654-E657 HydrophobicContact CD1-CG 4.45Å; L654-E657 PolarHBondContact N-OE2 2.97Å; L654-E657 VanDerWaalsContact N-OE2 3.11Å; L654-E657 PolarHBondContact O-N 3.39Å; E657-R678 IonicContact OE1-CZ 3.46Å; E657-R678 VanDerWaalsContact OE1-CZ 3.31Å; E657-R678 IonicContact OE1-NH1 3.03Å; E657-R678 PolarHBondContact OE1-NH1 3.4Å; E657-R678 VanDerWaalsContact OE1-NH1 3.09Å; E657-R678 IonicContact OE1-NH2 2.75Å; E657-R678 PolarHBondContact OE1-NH2 3.02Å; E657-R678 IonicContact OE2-NH1 2.68Å; E657-R678 PolarHBondContact OE2-NH1 2.99Å; E657-R678 IonicContact OE2-NH2 2.78Å; E657-V681 HydrophobicContact CB-CG1 3.94Å; E657-V681 HydrophobicContact CG-CG1 4.05Å; E657-H682 WeakPolarHBondContact CA-O 3.26Å; E657-T683 HydrophobicContact CG-CG2 4.32Å; E657-K705 PolarHBondContact O-NZ 2.84Å
658	A	94.4	Very high	92.9	Very high	13 Å²	13	60.8 Å²	60.8	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.2	162.8	0	0	0	0	0	111.3	V681 H682 L684 Y704	A658-V681 WeakPolarHBondContact O-CA 3.3Å; A658-H682 PolarHBondContact N-O 3.33Å; A658-H682 PolarHBondContact O-N 3.19Å; A658-L684 HydrophobicContact CB-CD1 3.74Å; A658-L684 HydrophobicContact CB-CD2 4.49Å; A658-L684 HydrophobicContact CB-CG 4.25Å; A658-Y704 HydrophobicContact CB-CD1 4.03Å; A658-Y704 HydrophobicContact CB-CE1 3.62Å
659	I	95.2	Very high	92.9	Very high	13 Å²	13	68 Å²	68	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.2	172.6	-66.1	157.7	0	0	0	108.1	K650 L653 A664 Y676 C680 V681 Y704	K650-I659 HydrophobicContact CD-CD1 4.4Å; K650-I659 HydrophobicContact CG-CD1 3.6Å; L653-I659 HydrophobicContact CD1-CD1 3.86Å; L653-I659 HydrophobicContact CD1-CG1 3.91Å; L653-I659 HydrophobicContact CD2-CG1 4.19Å; I659-A664 HydrophobicContact CG2-CB 3.67Å; I659-Y676 HydrophobicContact CD1-CD1 4.3Å; I659-Y676 HydrophobicContact CD1-CD2 3.47Å; I659-Y676 VanDerWaalsContact CD1-CD2 3.47Å; I659-Y676 HydrophobicContact CD1-CE2 3.89Å; I659-Y676 HydrophobicContact CD1-CG 3.7Å; I659-Y676 HydrophobicContact CG2-CD1 4.22Å; I659-Y676 HydrophobicContact CG2-CG 4.49Å; I659-C680 CarbonylContact C-O 3.59Å; I659-C680 VanDerWaalsContact CA-O 3.24Å; I659-C680 WeakPolarHBondContact CA-O 3.29Å; I659-C680 HydrophobicContact CG2-CB 4.05Å; I659-V681 HydrophobicContact CG1-CG2 4.06Å; I659-Y704 PolarHBondContact O-OH 3.46Å
660	Y	93.1	Very high	92.7	Very high	81 Å²	81	68.3 Å²	68.3	32%	0.318	34%	0.341	S	S	.	.	S	Bend	trans	-134.1	142	173.5	172.8	-90.6	0	0	0	110.2	C680 Y704 W736	Y660-C680 PolarHBondContact N-O 3.48Å; Y660-Y704 HydrophobicContact CD2-CE2 4.25Å; Y660-W736 AromaticContact CD1-CD2 3.81Å; Y660-W736 HydrophobicContact CD1-CD2 3.81Å; Y660-W736 AromaticContact CD1-CE3 3.57Å; Y660-W736 HydrophobicContact CD1-CE3 3.57Å; Y660-W736 HydrophobicContact CD1-CG 4.49Å; Y660-W736 HydrophobicContact CD1-CH2 4.12Å; Y660-W736 HydrophobicContact CD1-CZ2 4.33Å; Y660-W736 AromaticContact CD1-CZ3 3.74Å; Y660-W736 HydrophobicContact CD1-CZ3 3.74Å; Y660-W736 AromaticContact CD2-CD2 3.83Å; Y660-W736 HydrophobicContact CD2-CD2 3.83Å; Y660-W736 AromaticContact CD2-CE2 3.32Å; Y660-W736 HydrophobicContact CD2-CE3 4.24Å; Y660-W736 HydrophobicContact CD2-CG 4.48Å; Y660-W736 AromaticContact CD2-CH2 3.8Å; Y660-W736 HydrophobicContact CD2-CH2 3.8Å; Y660-W736 AromaticContact CD2-CZ2 3.32Å; Y660-W736 HydrophobicContact CD2-CZ2 3.32Å; Y660-W736 HydrophobicContact CD2-CZ3 4.22Å; Y660-W736 AromaticContact CD2-NE1 3.69Å; Y660-W736 HydrophobicContact CE1-CB 4.33Å; Y660-W736 AromaticContact CE1-CD2 3.71Å; Y660-W736 HydrophobicContact CE1-CD2 3.71Å; Y660-W736 AromaticContact CE1-CE3 3.83Å; Y660-W736 HydrophobicContact CE1-CE3 3.83Å; Y660-W736 AromaticContact CE1-CG 3.92Å; Y660-W736 HydrophobicContact CE1-CG 3.92Å; Y660-W736 HydrophobicContact CE1-CZ3 4.45Å; Y660-W736 AromaticContact CE2-CD1 3.66Å; Y660-W736 AromaticContact CE2-CD2 3.74Å; Y660-W736 HydrophobicContact CE2-CD2 3.74Å; Y660-W736 AromaticContact CE2-CE2 3.42Å; Y660-W736 VanDerWaalsContact CE2-CE2 3.42Å; Y660-W736 HydrophobicContact CE2-CE3 4.47Å; Y660-W736 AromaticContact CE2-CG 3.91Å; Y660-W736 HydrophobicContact CE2-CG 3.91Å; Y660-W736 AromaticContact CE2-CZ2 3.94Å; Y660-W736 HydrophobicContact CE2-CZ2 3.94Å; Y660-W736 AromaticContact CE2-NE1 3.33Å; Y660-W736 VanDerWaalsContact CE2-NE1 3.33Å; Y660-W736 AromaticContact CG-CD2 3.87Å; Y660-W736 HydrophobicContact CG-CD2 3.87Å; Y660-W736 AromaticContact CG-CE2 3.72Å; Y660-W736 AromaticContact CG-CE3 3.79Å; Y660-W736 HydrophobicContact CG-CE3 3.79Å; Y660-W736 AromaticContact CG-CH2 3.48Å; Y660-W736 HydrophobicContact CG-CH2 3.48Å; Y660-W736 VanDerWaalsContact CG-CH2 3.48Å; Y660-W736 AromaticContact CG-CZ2 3.55Å; Y660-W736 HydrophobicContact CG-CZ2 3.55Å; Y660-W736 AromaticContact CG-CZ3 3.6Å; Y660-W736 HydrophobicContact CG-CZ3 3.6Å; Y660-W736 AromaticContact CZ-CD1 3.69Å; Y660-W736 AromaticContact CZ-CD2 3.67Å; Y660-W736 AromaticContact CZ-CE2 3.89Å; Y660-W736 AromaticContact CZ-CG 3.59Å; Y660-W736 AromaticContact CZ-NE1 3.85Å
661	P	93.1	Very high	92.5	Very high	55 Å²	55	71.9 Å²	71.9	36%	0.357	35%	0.352	S	S	.	.	S	Bend	cis	-65.1	161.9	-10.6	30.9	-36.5	0	0	0	111.7	T663 A664	P661-T663 PolarHBondContact O-N 2.71Å; P661-T663 VanDerWaalsContact O-N 3.11Å; P661-A664 VanDerWaalsContact O-CB 3.25Å; P661-A664 WeakPolarHBondContact O-CB 3.44Å; P661-A664 PolarHBondContact O-N 2.96Å
662	E	87.5	Confident	92.4	Very high	150 Å²	150	68.7 Å²	68.7	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.4	176.6	-65.4	-169.7	179.9	0	0	112.7	A664 Y704	E662-A664 VanDerWaalsContact C-N 3.26Å; E662-A664 PolarHBondContact O-N 3.38Å; E662-Y704 HydrophobicContact CG-CE2 4.09Å; E662-Y704 WeakPolarHBondContact CG-OH 3.44Å
663	T	90.5	Very high	92.3	Very high	127 Å²	127	68.9 Å²	68.9	78%	0.779	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	6.9	175.1	52	0	0	0	0	114.2	P661 A665	P661-T663 PolarHBondContact O-N 2.71Å; P661-T663 VanDerWaalsContact O-N 3.11Å; T663-A665 PolarHBondContact O-N 2.95Å
664	A	90.9	Very high	92.4	Very high	11 Å²	11	67.8 Å²	67.8	9%	0.091	36%	0.358	C	S	.	.			trans	-49.9	135.7	-179.6	0	0	0	0	0	112.8	I659 P661 E662 Y676 C680	I659-A664 HydrophobicContact CG2-CB 3.67Å; P661-A664 VanDerWaalsContact O-CB 3.25Å; P661-A664 WeakPolarHBondContact O-CB 3.44Å; P661-A664 PolarHBondContact O-N 2.96Å; E662-A664 VanDerWaalsContact C-N 3.26Å; E662-A664 PolarHBondContact O-N 3.38Å; A664-Y676 HydrophobicContact CB-CD1 4.06Å; A664-Y676 HydrophobicContact CB-CE1 4.46Å; A664-Y676 WeakPolarHBondContact O-CE1 3.43Å; A664-C680 HydrophobicContact CB-CB 4.04Å
665	A	92.5	Very high	92.5	Very high	74 Å²	74	64.6 Å²	64.6	61%	0.612	34%	0.341	S	S	*	.			trans	-60.9	136.8	-175.4	0	0	0	0	0	112.1	T663	T663-A665 PolarHBondContact O-N 2.95Å
666	I	94.1	Very high	92.7	Very high	78 Å²	78	62 Å²	62	40%	0.4	33%	0.329	S	S	.	.			trans	-88.2	109.9	176.8	-59.5	172.7	0	0	0	108	G668 Y669 A674 Y676	I666-G668 VanDerWaalsContact C-N 3.29Å; I666-G668 WeakPolarHBondContact CG2-O 3.35Å; I666-G668 PolarHBondContact O-N 3.11Å; I666-Y669 HydrophobicContact CG2-CD2 4.49Å; I666-Y669 HydrophobicContact CG2-CE1 4.31Å; I666-Y669 HydrophobicContact CG2-CE2 3.95Å; I666-A674 HydrophobicContact CB-CB 4.5Å; I666-A674 HydrophobicContact CD1-CB 4.02Å; I666-A674 HydrophobicContact CG1-CB 4.06Å; I666-A674 HydrophobicContact CG2-CB 3.69Å; I666-Y676 HydrophobicContact CG1-CE1 3.89Å
667	L	91.7	Very high	92.7	Very high	88 Å²	88	59.4 Å²	59.4	46%	0.461	32%	0.322	S	S	.	.			trans	-72.6	-23.8	-178.7	-60.6	178.6	0	0	0	112.7	Y647 V675	Y647-L667 HydrophobicContact CD1-CD1 3.81Å; Y647-L667 HydrophobicContact CE1-CD1 3.83Å; L667-V675 PolarHBondContact N-O 3.15Å
668	G	92.8	Very high	92.7	Very high	15 Å²	15	62.7 Å²	62.7	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-169.4	179.2	0	0	0	0	0	112.3	I666 V675	I666-G668 VanDerWaalsContact C-N 3.29Å; I666-G668 WeakPolarHBondContact CG2-O 3.35Å; I666-G668 PolarHBondContact O-N 3.11Å; G668-V675 PolarHBondContact O-N 2.66Å
669	Y	93.6	Very high	92.6	Very high	157 Å²	157	68 Å²	68	62%	0.616	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.5	-178.9	-66.9	-90.7	0	0	0	112.2	I666 E673 A674	I666-Y669 HydrophobicContact CG2-CD2 4.49Å; I666-Y669 HydrophobicContact CG2-CE1 4.31Å; I666-Y669 HydrophobicContact CG2-CE2 3.95Å; Y669-E673 CarbonylContact C-O 3.58Å; Y669-E673 VanDerWaalsContact CA-O 3.25Å; Y669-E673 WeakPolarHBondContact CA-O 3.16Å; Y669-A674 HydrophobicContact CD1-CB 4.37Å; Y669-A674 HydrophobicContact CE1-CB 4.04Å
670	C	90.8	Very high	92.6	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.041	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.1	170.1	-167.6	0	0	0	0	109.8	Y641 G672 E673 V675	Y641-C670 HydrophobicContact CE2-CB 3.76Å; C670-G672 PolarHBondContact O-N 3.29Å; C670-G672 VanDerWaalsContact O-N 3.1Å; C670-E673 PolarHBondContact N-O 3.34Å; C670-E673 PolarHBondContact O-N 3.29Å; C670-V675 HydrophobicContact CB-CG2 4.23Å
671	R	89.2	Confident	92.6	Very high	197 Å²	197	65.9 Å²	65.9	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34	179.9	-54.6	-171.6	-178.7	-175.1	-4.6	114.6	I638	I638-R671 HydrophobicContact CD1-CB 4.22Å; I638-R671 HydrophobicContact CD1-CG 4.4Å; I638-R671 HydrophobicContact CG1-CG 4.41Å
672	G	89.6	Confident	92.7	Very high	66 Å²	66	66.4 Å²	66.4	68%	0.68	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-4.2	180	0	0	0	0	0	115.3	C670	C670-G672 PolarHBondContact O-N 3.29Å; C670-G672 VanDerWaalsContact O-N 3.1Å
673	E	93.1	Very high	93.1	Very high	54 Å²	54	62.5 Å²	62.5	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.7	173.6	-67.8	-170.8	-179.1	0	0	112.2	L649 R651 Y669 C670	L649-E673 HydrophobicContact CD2-CB 4.15Å; R651-E673 WeakPolarHBondContact CD-OE2 3.47Å; R651-E673 VanDerWaalsContact CG-OE2 3.31Å; R651-E673 WeakPolarHBondContact CG-OE2 3.39Å; R651-E673 IonicContact CZ-OE1 2.71Å; R651-E673 IonicContact CZ-OE2 3.92Å; R651-E673 IonicContact NE-OE1 2.64Å; R651-E673 PolarHBondContact NE-OE1 2.9Å; R651-E673 IonicContact NE-OE2 3.74Å; R651-E673 PolarHBondContact NE-OE2 3.31Å; R651-E673 IonicContact NH2-OE1 2.7Å; R651-E673 PolarHBondContact NH2-OE1 3.08Å; R651-E673 IonicContact NH2-OE2 3.91Å; Y669-E673 CarbonylContact C-O 3.58Å; Y669-E673 VanDerWaalsContact CA-O 3.25Å; Y669-E673 WeakPolarHBondContact CA-O 3.16Å; C670-E673 PolarHBondContact N-O 3.34Å; C670-E673 PolarHBondContact O-N 3.29Å
674	A	93.9	Very high	93.3	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.8	174.4	0	0	0	0	0	111.5	L649 I666 Y669 Y676	L649-A674 WeakPolarHBondContact CD2-O 3.46Å; I666-A674 HydrophobicContact CB-CB 4.5Å; I666-A674 HydrophobicContact CD1-CB 4.02Å; I666-A674 HydrophobicContact CG1-CB 4.06Å; I666-A674 HydrophobicContact CG2-CB 3.69Å; Y669-A674 HydrophobicContact CD1-CB 4.37Å; Y669-A674 HydrophobicContact CE1-CB 4.04Å; A674-Y676 HydrophobicContact CB-CD2 4.47Å; A674-Y676 HydrophobicContact CB-CE2 3.63Å; A674-Y676 WeakPolarHBondContact O-CD2 3.19Å; A674-Y676 WeakPolarHBondContact O-CE2 3.39Å
675	V	95.8	Very high	93.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.5	171.1	-177	0	0	0	0	108.5	Y641 Y647 L649 L667 G668 C670	Y641-V675 HydrophobicContact CD1-CG1 4.38Å; Y641-V675 HydrophobicContact CE1-CB 4.48Å; Y641-V675 HydrophobicContact CE1-CG1 3.74Å; Y641-V675 HydrophobicContact CE1-CG2 3.83Å; Y647-V675 HydrophobicContact CD1-CG1 4.3Å; Y647-V675 HydrophobicContact CG-CG1 4.18Å; L649-V675 HydrophobicContact CD2-CB 4.48Å; L649-V675 HydrophobicContact CD2-CG2 3.84Å; L667-V675 PolarHBondContact N-O 3.15Å; G668-V675 PolarHBondContact O-N 2.66Å; C670-V675 HydrophobicContact CB-CG2 4.23Å
676	Y	95.5	Very high	93.6	Very high	14 Å²	14	55 Å²	55	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	158.8	176.9	-62.6	-87.9	0	0	0	109.8	Y647 A648 K650 I659 A664 I666 A674	Y647-Y676 WeakPolarHBondContact CA-O 3.21Å; A648-Y676 PolarHBondContact N-O 3.14Å; A648-Y676 PolarHBondContact O-N 2.75Å; K650-Y676 HydrophobicContact CD-CE2 3.8Å; K650-Y676 WeakPolarHBondContact CE-OH 3.35Å; K650-Y676 HydrophobicContact CG-CD2 4.4Å; K650-Y676 HydrophobicContact CG-CE2 3.9Å; K650-Y676 PolarHBondContact NZ-OH 3.4Å; I659-Y676 HydrophobicContact CD1-CD1 4.3Å; I659-Y676 HydrophobicContact CD1-CD2 3.47Å; I659-Y676 VanDerWaalsContact CD1-CD2 3.47Å; I659-Y676 HydrophobicContact CD1-CE2 3.89Å; I659-Y676 HydrophobicContact CD1-CG 3.7Å; I659-Y676 HydrophobicContact CG2-CD1 4.22Å; I659-Y676 HydrophobicContact CG2-CG 4.49Å; A664-Y676 HydrophobicContact CB-CD1 4.06Å; A664-Y676 HydrophobicContact CB-CE1 4.46Å; A664-Y676 WeakPolarHBondContact O-CE1 3.43Å; I666-Y676 HydrophobicContact CG1-CE1 3.89Å; A674-Y676 HydrophobicContact CB-CD2 4.47Å; A674-Y676 HydrophobicContact CB-CE2 3.63Å; A674-Y676 WeakPolarHBondContact O-CD2 3.19Å; A674-Y676 WeakPolarHBondContact O-CE2 3.39Å
677	S	95	Very high	93.6	Very high	21 Å²	21	58.1 Å²	58.1	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	145.9	165.5	-172	0	0	0	0	109.7	L646 D679 C680	L646-S677 PolarHBondContact O-OG 3.33Å; S677-D679 PolarHBondContact O-N 3.05Å; S677-D679 VanDerWaalsContact OG-CG 3.27Å; S677-D679 PolarHBondContact OG-N 3.17Å; S677-D679 PolarHBondContact OG-OD2 3.12Å; S677-C680 PolarHBondContact O-N 2.84Å
678	R	93.9	Very high	93.6	Very high	80 Å²	80	59.3 Å²	59.3	30%	0.302	30%	0.298	S	S	.	.	S	Bend	trans	-67.3	-25.2	170.5	-174.1	62.2	178.1	164.8	5.4	111.4	P645 L646 E657 C680 V681	P645-R678 WeakPolarHBondContact O-CB 3.29Å; P645-R678 WeakPolarHBondContact O-CG 3.31Å; L646-R678 PolarHBondContact O-N 3.17Å; E657-R678 IonicContact OE1-CZ 3.46Å; E657-R678 VanDerWaalsContact OE1-CZ 3.31Å; E657-R678 IonicContact OE1-NH1 3.03Å; E657-R678 PolarHBondContact OE1-NH1 3.4Å; E657-R678 VanDerWaalsContact OE1-NH1 3.09Å; E657-R678 IonicContact OE1-NH2 2.75Å; E657-R678 PolarHBondContact OE1-NH2 3.02Å; E657-R678 IonicContact OE2-NH1 2.68Å; E657-R678 PolarHBondContact OE2-NH1 2.99Å; E657-R678 IonicContact OE2-NH2 2.78Å; R678-C680 PolarHBondContact O-N 2.96Å; R678-V681 WeakPolarHBondContact O-CB 3.49Å; R678-V681 PolarHBondContact O-N 3.47Å
679	D	93.7	Very high	93.6	Very high	124 Å²	124	60.9 Å²	60.9	66%	0.663	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.7	177	-44.9	-47	0	0	0	112.4	S677 V681	S677-D679 PolarHBondContact O-N 3.05Å; S677-D679 VanDerWaalsContact OG-CG 3.27Å; S677-D679 PolarHBondContact OG-N 3.17Å; S677-D679 PolarHBondContact OG-OD2 3.12Å; D679-V681 PolarHBondContact O-N 2.72Å
680	C	94.1	Very high	93.7	Very high	31 Å²	31	53.9 Å²	53.9	21%	0.209	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.5	175	-53.1	0	0	0	0	112.8	I659 Y660 A664 S677 R678 H682	I659-C680 CarbonylContact C-O 3.59Å; I659-C680 VanDerWaalsContact CA-O 3.24Å; I659-C680 WeakPolarHBondContact CA-O 3.29Å; I659-C680 HydrophobicContact CG2-CB 4.05Å; Y660-C680 PolarHBondContact N-O 3.48Å; A664-C680 HydrophobicContact CB-CB 4.04Å; S677-C680 PolarHBondContact O-N 2.84Å; R678-C680 PolarHBondContact O-N 2.96Å; C680-H682 PolarHBondContact O-CD2 3.49Å
681	V	94.6	Very high	93.8	Very high	19 Å²	19	55.9 Å²	55.9	12%	0.115	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.5	177.8	-175.7	0	0	0	0	110	A648 L653 E657 A658 I659 R678 D679	A648-V681 HydrophobicContact CB-CG2 3.44Å; A648-V681 VanDerWaalsContact CB-CG2 3.44Å; L653-V681 HydrophobicContact CD2-CB 4.32Å; L653-V681 HydrophobicContact CD2-CG1 3.58Å; L653-V681 HydrophobicContact CD2-CG2 3.69Å; E657-V681 HydrophobicContact CB-CG1 3.94Å; E657-V681 HydrophobicContact CG-CG1 4.05Å; A658-V681 WeakPolarHBondContact O-CA 3.3Å; I659-V681 HydrophobicContact CG1-CG2 4.06Å; R678-V681 WeakPolarHBondContact O-CB 3.49Å; R678-V681 PolarHBondContact O-N 3.47Å; D679-V681 PolarHBondContact O-N 2.72Å
682	H	95	Very high	93.9	Very high	66 Å²	66	50.8 Å²	50.8	31%	0.306	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.2	179	-64.4	-84.9	0	0	0	111.4	E657 A658 C680 W736	E657-H682 WeakPolarHBondContact CA-O 3.26Å; A658-H682 PolarHBondContact N-O 3.33Å; A658-H682 PolarHBondContact O-N 3.19Å; C680-H682 PolarHBondContact O-CD2 3.49Å; H682-W736 HydrophobicContact CB-CH2 4.21Å; H682-W736 HydrophobicContact CB-CZ3 3.67Å; H682-W736 AromaticContact CG-CZ3 3.77Å
683	T	95	Very high	94.1	Very high	67 Å²	67	50.9 Å²	50.9	41%	0.411	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.2	169.4	50.3	0	0	0	0	109.6	E657 H685	E657-T683 HydrophobicContact CG-CG2 4.32Å; T683-H685 PolarHBondContact OG1-NE2 2.64Å
684	L	95.6	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.			trans	-104	135.4	178.3	-46.9	177.3	0	0	0	109.2	Y656 A658 Y704 K705 L732 F733 W736	Y656-L684 WeakPolarHBondContact O-CB 3.39Å; Y656-L684 PolarHBondContact O-N 3.16Å; A658-L684 HydrophobicContact CB-CD1 3.74Å; A658-L684 HydrophobicContact CB-CD2 4.49Å; A658-L684 HydrophobicContact CB-CG 4.25Å; L684-Y704 HydrophobicContact CD1-CD1 3.91Å; L684-Y704 HydrophobicContact CD2-CD1 3.97Å; L684-K705 HydrophobicContact CD1-CB 3.46Å; L684-K705 VanDerWaalsContact CD1-CB 3.46Å; L684-K705 HydrophobicContact CD1-CD 3.82Å; L684-K705 HydrophobicContact CD1-CG 4.31Å; L684-L732 HydrophobicContact CB-CB 3.74Å; L684-L732 HydrophobicContact CB-CD1 4.35Å; L684-L732 HydrophobicContact CD1-CB 4.25Å; L684-F733 WeakPolarHBondContact CA-O 3.35Å; L684-W736 HydrophobicContact CD2-CH2 3.7Å; L684-W736 HydrophobicContact CD2-CZ2 4.3Å
685	H	95.2	Very high	94.2	Very high	44 Å²	44	49.8 Å²	49.8	20%	0.204	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-120.1	155.9	-179.2	-63.9	-56.8	0	0	0	111.3	T683 T689 W690 L732 F733	T683-H685 PolarHBondContact OG1-NE2 2.64Å; H685-T689 HydrophobicContact CB-CG2 3.78Å; H685-W690 HydrophobicContact CB-CD2 4.01Å; H685-W690 HydrophobicContact CB-CG 4.03Å; H685-W690 HydrophobicContact CB-CZ2 4.26Å; H685-W690 AromaticContact CD2-CE2 3.98Å; H685-W690 AromaticContact CD2-CH2 3.81Å; H685-W690 AromaticContact CD2-CZ2 3.75Å; H685-W690 PolarHBondContact O-NE1 2.96Å; H685-L732 WeakPolarHBondContact O-CA 3.48Å; H685-F733 PolarHBondContact N-O 3.08Å; H685-F733 VanDerWaalsContact N-O 3.08Å; H685-F733 PolarHBondContact O-N 2.74Å
686	S	94.4	Very high	94.2	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.084	26%	0.26	C	S	.	.			trans	-68.8	162.9	167.7	64.5	0	0	0	0	110.3	D688 T689 W690	S686-D688 PolarHBondContact O-N 2.95Å; S686-T689 PolarHBondContact O-N 3.02Å; S686-T689 PolarHBondContact OG-N 3.29Å; S686-T689 PolarHBondContact OG-OG1 3.28Å; S686-W690 PolarHBondContact O-N 2.65Å
687	R	93.3	Very high	94.2	Very high	143 Å²	143	52.1 Å²	52.1	54%	0.54	26%	0.259	S	S	.	.	H	α-helix	trans	-53.8	-42	177	-171.5	177.1	-71	170.7	-3.4	112.2	T689 W690 L691 V697 F733	R687-T689 PolarHBondContact O-N 2.87Å; R687-W690 PolarHBondContact O-N 2.69Å; R687-L691 PolarHBondContact O-N 3.46Å; R687-V697 HydrophobicContact CB-CG2 4.21Å; R687-V697 HydrophobicContact CG-CB 4.43Å; R687-V697 HydrophobicContact CG-CG2 4.05Å; R687-F733 HydrophobicContact CB-CE2 4.5Å
688	D	90.8	Very high	94.2	Very high	113 Å²	113	55.9 Å²	55.9	60%	0.604	27%	0.27	S	S	*	.	H	α-helix	trans	-66.4	-35.2	178.2	-43.1	-41.3	0	0	0	112.7	S686 L691 K692	S686-D688 PolarHBondContact O-N 2.95Å; D688-L691 PolarHBondContact O-N 2.8Å; D688-K692 PolarHBondContact O-N 3.15Å
689	T	92.7	Very high	94.1	Very high	48 Å²	48	60.8 Å²	60.8	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-77.7	-32.7	179	-61.5	0	0	0	0	111.5	H685 S686 R687 L691 K692 K693	H685-T689 HydrophobicContact CB-CG2 3.78Å; S686-T689 PolarHBondContact O-N 3.02Å; S686-T689 PolarHBondContact OG-N 3.29Å; S686-T689 PolarHBondContact OG-OG1 3.28Å; R687-T689 PolarHBondContact O-N 2.87Å; T689-L691 VanDerWaalsContact C-N 3.33Å; T689-K692 WeakPolarHBondContact O-CB 3.29Å; T689-K692 PolarHBondContact O-N 3.3Å; T689-K693 PolarHBondContact O-N 3.36Å
690	W	95.7	Very high	94	Very high	10 Å²	10	58.7 Å²	58.7	4%	0.038	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-39.2	167.6	-79.3	120.8	0	0	0	112.1	H685 S686 R687 K692 K693 A694 R695 F733 Y735 T738	H685-W690 HydrophobicContact CB-CD2 4.01Å; H685-W690 HydrophobicContact CB-CG 4.03Å; H685-W690 HydrophobicContact CB-CZ2 4.26Å; H685-W690 AromaticContact CD2-CE2 3.98Å; H685-W690 AromaticContact CD2-CH2 3.81Å; H685-W690 AromaticContact CD2-CZ2 3.75Å; H685-W690 PolarHBondContact O-NE1 2.96Å; S686-W690 PolarHBondContact O-N 2.65Å; R687-W690 PolarHBondContact O-N 2.69Å; W690-K692 VanDerWaalsContact C-N 3.26Å; W690-K692 PolarHBondContact O-N 3.43Å; W690-K693 HydrophobicContact CZ3-CD 4.42Å; W690-K693 CarbonylContact O-C 3.49Å; W690-K693 WeakPolarHBondContact O-CA 3.39Å; W690-K693 PolarHBondContact O-N 3.23Å; W690-A694 PolarHBondContact O-N 3.46Å; W690-R695 CarbonylContact C-O 3.48Å; W690-R695 HydrophobicContact CB-CB 4.48Å; W690-R695 HydrophobicContact CE3-CB 4.18Å; W690-R695 PolarHBondContact O-N 2.87Å; W690-R695 VanDerWaalsContact O-O 3.08Å; W690-F733 PolarHBondContact NE1-O 2.91Å; W690-Y735 HydrophobicContact CH2-CD2 4.06Å; W690-Y735 HydrophobicContact CZ3-CD2 4.08Å; W690-T738 HydrophobicContact CB-CG2 4.42Å; W690-T738 HydrophobicContact CD2-CG2 3.77Å; W690-T738 HydrophobicContact CE3-CG2 4.38Å; W690-T738 HydrophobicContact CG-CG2 3.77Å
691	L	92.9	Very high	94	Very high	47 Å²	47	60.3 Å²	60.3	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-35.6	175.8	-175.8	64.3	0	0	0	112.1	R687 D688 T689 K693 A694 R695 Y741 Y760 M766	R687-L691 PolarHBondContact O-N 3.46Å; D688-L691 PolarHBondContact O-N 2.8Å; T689-L691 VanDerWaalsContact C-N 3.33Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 3.47Å; L691-A694 PolarHBondContact O-N 2.9Å; L691-R695 WeakPolarHBondContact CA-O 3.4Å; L691-R695 PolarHBondContact N-O 3Å; L691-R695 VanDerWaalsContact N-O 3.16Å; L691-Y741 HydrophobicContact CD1-CD2 3.82Å; L691-Y741 HydrophobicContact CD1-CE2 4.04Å; L691-Y760 HydrophobicContact CD2-CD2 4.42Å; L691-M766 HydrophobicContact CD1-CE 3.86Å; L691-M766 HydrophobicContact CG-CE 4.2Å; L691-M766 WeakPolarHBondContact O-CE 3.35Å
692	K	92.6	Very high	94	Very high	91 Å²	91	64.7 Å²	64.7	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-31.7	172	-65.8	178.4	-179.6	-176.1	0	113.5	D688 T689 W690 A694 F762	D688-K692 PolarHBondContact O-N 3.15Å; T689-K692 WeakPolarHBondContact O-CB 3.29Å; T689-K692 PolarHBondContact O-N 3.3Å; W690-K692 VanDerWaalsContact C-N 3.26Å; W690-K692 PolarHBondContact O-N 3.43Å; K692-A694 PolarHBondContact O-N 2.92Å; K692-F762 HydrophobicContact CB-CD2 4.24Å; K692-F762 HydrophobicContact CB-CG 4.26Å; K692-F762 HydrophobicContact CG-CD1 4.32Å; K692-F762 HydrophobicContact CG-CD2 4.07Å; K692-F762 HydrophobicContact CG-CE1 4.32Å; K692-F762 HydrophobicContact CG-CE2 4.03Å; K692-F762 HydrophobicContact CG-CG 4.21Å; K692-F762 HydrophobicContact CG-CZ 4.18Å; K692-F762 VanDerWaalsContact O-CB 3.27Å; K692-F762 WeakPolarHBondContact O-CB 3.39Å
693	K	93.1	Very high	93.9	Very high	67 Å²	67	63.5 Å²	63.5	29%	0.291	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	20.7	174	-62.2	-165.5	177.5	-124	0	112.8	E120 T689 W690 L691 R695	E120-K693 WeakPolarHBondContact OE1-CE 3.3Å; E120-K693 IonicContact OE1-NZ 2.78Å; E120-K693 PolarHBondContact OE1-NZ 2.9Å; E120-K693 IonicContact OE2-NZ 3.87Å; T689-K693 PolarHBondContact O-N 3.36Å; W690-K693 HydrophobicContact CZ3-CD 4.42Å; W690-K693 CarbonylContact O-C 3.49Å; W690-K693 WeakPolarHBondContact O-CA 3.39Å; W690-K693 PolarHBondContact O-N 3.23Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 3.47Å; K693-R695 VanDerWaalsContact C-N 3.28Å; K693-R695 PolarHBondContact O-N 3.21Å
694	A	93.8	Very high	93.9	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.033	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	41.4	-175.5	0	0	0	0	0	113.7	W690 L691 K692 Y741 L763 M766	W690-A694 PolarHBondContact O-N 3.46Å; L691-A694 PolarHBondContact O-N 2.9Å; K692-A694 PolarHBondContact O-N 2.92Å; A694-Y741 VanDerWaalsContact C-CB 3.48Å; A694-Y741 VanDerWaalsContact O-CB 3.25Å; A694-Y741 WeakPolarHBondContact O-CB 3.42Å; A694-Y741 PolarHBondContact O-N 3.11Å; A694-L763 HydrophobicContact CB-CB 4.29Å; A694-L763 HydrophobicContact CB-CD1 3.74Å; A694-M766 HydrophobicContact CB-CG 3.58Å; A694-M766 HydrophobicContact CB-SD 4.06Å
695	R	95.7	Very high	93.8	Very high	44 Å²	44	65.8 Å²	65.8	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.7	175.5	-61.7	-174.3	78.6	89	-1.2	112	W690 L691 K693 Y735 T738 E739	W690-R695 CarbonylContact C-O 3.48Å; W690-R695 HydrophobicContact CB-CB 4.48Å; W690-R695 HydrophobicContact CE3-CB 4.18Å; W690-R695 PolarHBondContact O-N 2.87Å; W690-R695 VanDerWaalsContact O-O 3.08Å; L691-R695 WeakPolarHBondContact CA-O 3.4Å; L691-R695 PolarHBondContact N-O 3Å; L691-R695 VanDerWaalsContact N-O 3.16Å; K693-R695 VanDerWaalsContact C-N 3.28Å; K693-R695 PolarHBondContact O-N 3.21Å; R695-Y735 PolarHBondContact NH1-OH 2.85Å; R695-T738 PolarHBondContact NE-OG1 3.07Å; R695-T738 PolarHBondContact NH2-O 3.16Å; R695-E739 CarbonylContact C-O 3.55Å; R695-E739 WeakPolarHBondContact CA-O 3.44Å; R695-E739 WeakPolarHBondContact CB-O 3.37Å
696	V	95.1	Very high	93.7	Very high	59 Å²	59	67.8 Å²	67.8	36%	0.358	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	178.8	-173.5	0	0	0	0	109.1	R698 T738 E739 Y741	V696-R698 PolarHBondContact O-N 3.27Å; V696-T738 CarbonylContact O-C 3.53Å; V696-T738 VanDerWaalsContact O-CA 3.23Å; V696-T738 WeakPolarHBondContact O-CA 3.42Å; V696-E739 PolarHBondContact N-O 3.29Å; V696-E739 PolarHBondContact O-N 3.44Å; V696-Y741 HydrophobicContact CG2-CD2 3.65Å; V696-Y741 HydrophobicContact CG2-CG 4.4Å
697	V	95.9	Very high	93.5	Very high	5 Å²	5	68 Å²	68	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.9	172.5	178.1	0	0	0	0	108.9	R687 E701 F733 T738	R687-V697 HydrophobicContact CB-CG2 4.21Å; R687-V697 HydrophobicContact CG-CB 4.43Å; R687-V697 HydrophobicContact CG-CG2 4.05Å; V697-E701 HydrophobicContact CG1-CB 3.94Å; V697-F733 HydrophobicContact CB-CD1 4.47Å; V697-F733 HydrophobicContact CB-CG 4.43Å; V697-F733 HydrophobicContact CG1-CD1 3.45Å; V697-F733 VanDerWaalsContact CG1-CD1 3.45Å; V697-F733 HydrophobicContact CG1-CD2 4.34Å; V697-F733 HydrophobicContact CG1-CE1 3.57Å; V697-F733 HydrophobicContact CG1-CE2 4.45Å; V697-F733 HydrophobicContact CG1-CG 3.86Å; V697-F733 HydrophobicContact CG1-CZ 4.09Å; V697-F733 HydrophobicContact CG2-CB 3.95Å; V697-F733 HydrophobicContact CG2-CD1 4.14Å; V697-F733 HydrophobicContact CG2-CD2 3.65Å; V697-F733 HydrophobicContact CG2-CE2 4.17Å; V697-F733 HydrophobicContact CG2-CG 3.63Å; V697-T738 HydrophobicContact CG2-CG2 4.14Å
698	R	95.9	Very high	93.3	Very high	99 Å²	99	64.9 Å²	64.9	37%	0.374	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-56.3	147.4	179.3	-69.3	174.9	169.2	137.4	6.3	111.8	V696 G700 E701 W736 Q737 E739	V696-R698 PolarHBondContact O-N 3.27Å; R698-G700 PolarHBondContact O-N 2.83Å; R698-E701 HydrophobicContact CB-CG 3.61Å; R698-E701 PolarHBondContact O-N 3.06Å; R698-W736 PolarHBondContact NH1-O 2.97Å; R698-W736 VanDerWaalsContact NH1-O 3.09Å; R698-Q737 PolarHBondContact N-O 3.28Å; R698-E739 VanDerWaalsContact CG-CD 3.49Å; R698-E739 HydrophobicContact CG-CG 3.72Å; R698-E739 IonicContact CZ-OE1 2.65Å; R698-E739 IonicContact NE-OE1 3.65Å; R698-E739 PolarHBondContact NE-OE1 3.11Å; R698-E739 IonicContact NH2-OE1 3.71Å
699	L	91.5	Very high	92.9	Very high	183 Å²	183	59.7 Å²	59.7	96%	0.958	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	124.4	177.7	-61.4	177.4	0	0	0	110.3
700	G	91.8	Very high	92.3	Very high	80 Å²	80	63.2 Å²	63.2	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-4.4	-180	0	0	0	0	0	115.9	R698	R698-G700 PolarHBondContact O-N 2.83Å
701	E	93.4	Very high	91.5	Very high	66 Å²	66	66 Å²	66	31%	0.308	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-64.6	134	175.5	-75.2	-73.6	166.5	0	0	112.5	V697 R698 Q737	V697-E701 HydrophobicContact CG1-CB 3.94Å; R698-E701 HydrophobicContact CB-CG 3.61Å; R698-E701 PolarHBondContact O-N 3.06Å; E701-Q737 HydrophobicContact CB-CB 4.45Å; E701-Q737 HydrophobicContact CG-CB 4.08Å; E701-Q737 PolarHBondContact OE2-NE2 2.85Å
702	V	93.6	Very high	90.6	Very high	110 Å²	110	68.6 Å²	68.6	67%	0.667	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-84.5	131.5	173.9	179.7	0	0	0	0	108.8	Y704 Q737	V702-Y704 PolarHBondContact O-N 3.38Å; V702-Q737 PolarHBondContact O-NE2 2.87Å
703	P	94.4	Very high	89.9	Confident	41 Å²	41	72.8 Å²	72.8	27%	0.266	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.2	178.2	23.2	-33.5	0	0	0	111.6	K705 M706 L732 F733	P703-K705 VanDerWaalsContact C-N 3.28Å; P703-K705 PolarHBondContact O-N 3.45Å; P703-M706 HydrophobicContact CB-SD 3.81Å; P703-M706 HydrophobicContact CG-CG 4.42Å; P703-M706 HydrophobicContact CG-SD 3.36Å; P703-M706 WeakPolarHBondContact CG-SD 3.13Å; P703-L732 CarbonylContact C-O 3.51Å; P703-F733 VanDerWaalsContact CA-CE1 3.46Å; P703-F733 HydrophobicContact CB-CD1 4.34Å; P703-F733 HydrophobicContact CB-CE1 3.78Å; P703-F733 HydrophobicContact CB-CE2 4.32Å; P703-F733 HydrophobicContact CB-CZ 3.78Å; P703-F733 HydrophobicContact CG-CE1 4.49Å; P703-F733 HydrophobicContact CG-CZ 4.41Å
704	Y	93.5	Very high	89.2	Confident	55 Å²	55	70 Å²	70	22%	0.216	37%	0.365	C	S	.	.	S	Bend	trans	-64.6	-30.3	-178	-169.7	-112.8	0	0	0	113.2	A658 I659 Y660 E662 L684 V702 L732 W736	A658-Y704 HydrophobicContact CB-CD1 4.03Å; A658-Y704 HydrophobicContact CB-CE1 3.62Å; I659-Y704 PolarHBondContact O-OH 3.46Å; Y660-Y704 HydrophobicContact CD2-CE2 4.25Å; E662-Y704 HydrophobicContact CG-CE2 4.09Å; E662-Y704 WeakPolarHBondContact CG-OH 3.44Å; L684-Y704 HydrophobicContact CD1-CD1 3.91Å; L684-Y704 HydrophobicContact CD2-CD1 3.97Å; V702-Y704 PolarHBondContact O-N 3.38Å; Y704-L732 PolarHBondContact N-O 2.88Å; Y704-W736 HydrophobicContact CD1-CH2 4.25Å; Y704-W736 AromaticContact CD1-CZ2 3.84Å; Y704-W736 HydrophobicContact CD1-CZ2 3.84Å; Y704-W736 HydrophobicContact CD2-CZ2 4.11Å; Y704-W736 HydrophobicContact CE1-CH2 4.28Å; Y704-W736 HydrophobicContact CE1-CZ2 4.03Å; Y704-W736 HydrophobicContact CE2-CZ2 4.31Å; Y704-W736 AromaticContact CG-CZ2 3.87Å; Y704-W736 HydrophobicContact CG-CZ2 3.87Å
705	K	93.6	Very high	88.4	Confident	61 Å²	61	76.5 Å²	76.5	27%	0.265	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	123.1	177	-165.2	-176.7	-171.5	-177	0	110.4	L654 K655 E657 L684 P703 V707 L732	L654-K705 PolarHBondContact O-NZ 3.32Å; K655-K705 WeakPolarHBondContact O-CE 3.19Å; K655-K705 PolarHBondContact O-NZ 3.2Å; E657-K705 PolarHBondContact O-NZ 2.84Å; L684-K705 HydrophobicContact CD1-CB 3.46Å; L684-K705 VanDerWaalsContact CD1-CB 3.46Å; L684-K705 HydrophobicContact CD1-CD 3.82Å; L684-K705 HydrophobicContact CD1-CG 4.31Å; P703-K705 VanDerWaalsContact C-N 3.28Å; P703-K705 PolarHBondContact O-N 3.45Å; K705-V707 HydrophobicContact CD-CG2 4.03Å; K705-V707 HydrophobicContact CG-CG2 3.84Å; K705-L732 HydrophobicContact CB-CB 4.38Å; K705-L732 HydrophobicContact CB-CD1 4.49Å; K705-L732 HydrophobicContact CD-CD1 4.38Å; K705-L732 PolarHBondContact N-O 3.23Å; K705-L732 WeakPolarHBondContact O-CB 3.2Å; K705-L732 PolarHBondContact O-N 3.03Å
706	M	93.6	Very high	87.6	Confident	85 Å²	85	81.8 Å²	81.8	42%	0.419	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.7	170.9	-65	-60.4	-62.6	0	0	109.8	P703 N728 G731	P703-M706 HydrophobicContact CB-SD 3.81Å; P703-M706 HydrophobicContact CG-CG 4.42Å; P703-M706 HydrophobicContact CG-SD 3.36Å; P703-M706 WeakPolarHBondContact CG-SD 3.13Å; M706-N728 HydrophobicContact CB-CB 3.9Å; M706-N728 WeakPolarHBondContact CE-O 3.27Å; M706-N728 PolarHBondContact O-ND2 2.85Å; M706-G731 WeakPolarHBondContact SD-CA 3.41Å
707	V	90.8	Very high	86.8	Confident	17 Å²	17	80.9 Å²	80.9	10%	0.103	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.4	-178.5	-165.8	0	0	0	0	111.6	K655 K705 G709 N728 D729 L730 L732	K655-V707 HydrophobicContact CD-CG1 4.13Å; K655-V707 HydrophobicContact CG-CG1 3.78Å; K705-V707 HydrophobicContact CD-CG2 4.03Å; K705-V707 HydrophobicContact CG-CG2 3.84Å; V707-G709 PolarHBondContact O-N 3.32Å; V707-G709 VanDerWaalsContact O-N 3.17Å; V707-N728 WeakPolarHBondContact CA-OD1 3.43Å; V707-D729 PolarHBondContact O-N 2.91Å; V707-L730 PolarHBondContact N-O 3.17Å; V707-L730 WeakPolarHBondContact O-CA 3.37Å; V707-L730 VanDerWaalsContact O-CB 3.24Å; V707-L730 WeakPolarHBondContact O-CB 3.41Å; V707-L730 PolarHBondContact O-N 2.91Å; V707-L732 HydrophobicContact CB-CD1 4.28Å; V707-L732 HydrophobicContact CG2-CD1 3.5Å; V707-L732 VanDerWaalsContact CG2-CD1 3.5Å; V707-L732 HydrophobicContact CG2-CG 4.22Å
708	K	88.1	Confident	86.1	Confident	77 Å²	77	81.9 Å²	81.9	34%	0.335	42%	0.415	S	S	.	.			trans	-60.3	112.5	172.7	-168.6	169	178.3	166.7	0	112.3	K655 R725 N728 D729	K655-K708 PolarHBondContact NZ-O 3.46Å; K708-R725 WeakPolarHBondContact CE-O 3.28Å; K708-R725 PolarHBondContact NZ-O 3.01Å; K708-N728 PolarHBondContact N-OD1 3.45Å; K708-D729 WeakPolarHBondContact CA-OD1 3.33Å
709	G	83.4	Confident	85.2	Confident	4 Å²	4	83.6 Å²	83.6	4%	0.041	43%	0.431	C	S	.	.			trans	-78.4	146.1	177.1	0	0	0	0	0	112.7	V707 R718 D729	V707-G709 PolarHBondContact O-N 3.32Å; V707-G709 VanDerWaalsContact O-N 3.17Å; G709-R718 VanDerWaalsContact O-CZ 3.31Å; G709-R718 PolarHBondContact O-NH1 2.87Å; G709-R718 PolarHBondContact O-NH2 3.07Å; G709-D729 PolarHBondContact N-OD1 3.05Å
710	F	79.2	Confident	84.9	Confident	122 Å²	122	78.8 Å²	78.8	54%	0.535	42%	0.417	S	S	.	.			trans	-102.2	0.8	-177.8	-71.6	-56.1	0	0	0	115	R715	F710-R715 PolarHBondContact O-NH2 2.88Å
711	S	78.7	Confident	84.3	Confident	70 Å²	70	80.1 Å²	80.1	49%	0.49	40%	0.402	S	S	.	.	S	Bend	trans	-55.5	153.9	-178.5	77.4	0	0	0	0	112.4	R713 A714 R715	S711-R713 PolarHBondContact O-N 3Å; S711-A714 WeakPolarHBondContact O-CB 3.39Å; S711-A714 PolarHBondContact O-N 3.13Å; S711-A714 VanDerWaalsContact OG-CB 3.3Å; S711-A714 WeakPolarHBondContact OG-CB 3.36Å; S711-A714 PolarHBondContact OG-N 2.66Å; S711-A714 VanDerWaalsContact OG-N 3.17Å; S711-R715 WeakPolarHBondContact O-CB 3.41Å; S711-R715 PolarHBondContact O-N 3.18Å
712	N	75.9	Confident	83.5	Confident	100 Å²	100	81 Å²	81	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-27.4	179.1	-75.9	-35.4	0	0	0	112.5	R715 K716	N712-R715 PolarHBondContact OD1-NH1 2.92Å; N712-R715 PolarHBondContact OD1-NH2 3.31Å; N712-K716 WeakPolarHBondContact O-CB 3.29Å; N712-K716 VanDerWaalsContact O-CG 3.22Å; N712-K716 WeakPolarHBondContact O-CG 3.47Å; N712-K716 PolarHBondContact O-N 3.46Å; N712-K716 VanDerWaalsContact O-N 3.13Å
713	R	77.1	Confident	82.6	Confident	180 Å²	180	84.6 Å²	84.6	68%	0.679	42%	0.423	S	S	*	.	H	α-helix	trans	-67.4	-54.3	172.2	-176	177.2	-101	-177.3	-5.2	110.7	E432 S711 R715 K716 A717	E432-R713 IonicContact OE1-CZ 3.91Å; E432-R713 IonicContact OE1-NH2 3.78Å; E432-R713 PolarHBondContact OE1-NH2 2.87Å; S711-R713 PolarHBondContact O-N 3Å; R713-R715 VanDerWaalsContact C-N 3.31Å; R713-R715 PolarHBondContact O-N 2.9Å; R713-K716 PolarHBondContact O-N 3.46Å; R713-K716 VanDerWaalsContact O-N 3.14Å; R713-A717 PolarHBondContact O-N 2.87Å
714	A	77.4	Confident	81.5	Confident	7 Å²	7	84.8 Å²	84.8	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-52.3	-46.2	174.9	0	0	0	0	0	113.1	S711 K716 A717 R718 D729	S711-A714 WeakPolarHBondContact O-CB 3.39Å; S711-A714 PolarHBondContact O-N 3.13Å; S711-A714 VanDerWaalsContact OG-CB 3.3Å; S711-A714 WeakPolarHBondContact OG-CB 3.36Å; S711-A714 PolarHBondContact OG-N 2.66Å; S711-A714 VanDerWaalsContact OG-N 3.17Å; A714-K716 PolarHBondContact O-N 3.35Å; A714-A717 PolarHBondContact O-N 3.39Å; A714-R718 WeakPolarHBondContact O-CG 3.49Å; A714-R718 PolarHBondContact O-N 3.48Å; A714-R718 VanDerWaalsContact O-N 3.12Å; A714-D729 WeakPolarHBondContact CB-OD2 3.07Å
715	R	77.4	Confident	80.3	Confident	142 Å²	142	89 Å²	89	54%	0.536	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-37.1	-179.8	-161.1	-174.5	-48.5	164.3	9	112.7	F710 S711 N712 R713 L719	F710-R715 PolarHBondContact O-NH2 2.88Å; S711-R715 WeakPolarHBondContact O-CB 3.41Å; S711-R715 PolarHBondContact O-N 3.18Å; N712-R715 PolarHBondContact OD1-NH1 2.92Å; N712-R715 PolarHBondContact OD1-NH2 3.31Å; R713-R715 VanDerWaalsContact C-N 3.31Å; R713-R715 PolarHBondContact O-N 2.9Å; R715-L719 WeakPolarHBondContact O-CB 3.47Å; R715-L719 PolarHBondContact O-N 3.14Å
716	K	79.6	Confident	79.3	Confident	154 Å²	154	94.5 Å²	94.5	67%	0.67	46%	0.464	S	S	*	.	H	α-helix	trans	-70	-44.1	174.7	-77.1	173.6	179.5	-178	0	111.7	N712 R713 A714 R718 L719 A720	N712-K716 WeakPolarHBondContact O-CB 3.29Å; N712-K716 VanDerWaalsContact O-CG 3.22Å; N712-K716 WeakPolarHBondContact O-CG 3.47Å; N712-K716 PolarHBondContact O-N 3.46Å; N712-K716 VanDerWaalsContact O-N 3.13Å; R713-K716 PolarHBondContact O-N 3.46Å; R713-K716 VanDerWaalsContact O-N 3.14Å; A714-K716 PolarHBondContact O-N 3.35Å; K716-R718 PolarHBondContact O-N 3.49Å; K716-L719 WeakPolarHBondContact O-CB 3.5Å; K716-L719 PolarHBondContact O-N 2.82Å; K716-A720 PolarHBondContact O-N 2.94Å
717	A	79	Confident	78.5	Confident	41 Å²	41	95.9 Å²	95.9	34%	0.339	47%	0.469	S	S	.	.	H	α-helix	trans	-56.7	-50.5	177.3	0	0	0	0	0	111.6	R713 A714 L719 A720 E721	R713-A717 PolarHBondContact O-N 2.87Å; A714-A717 PolarHBondContact O-N 3.39Å; A717-L719 PolarHBondContact O-N 3.17Å; A717-L719 VanDerWaalsContact O-N 3.16Å; A717-A720 PolarHBondContact O-N 2.93Å; A717-A720 VanDerWaalsContact O-N 3.14Å; A717-E721 PolarHBondContact O-N 2.86Å
718	R	79.4	Confident	78.1	Confident	26 Å²	26	98.8 Å²	98.8	10%	0.098	48%	0.484	C	S	.	.	H	α-helix	trans	-68.4	-11.2	176.3	-62.2	-171.6	-62.2	-109	-5.4	115.2	G709 A714 K716 L724 D729	G709-R718 VanDerWaalsContact O-CZ 3.31Å; G709-R718 PolarHBondContact O-NH1 2.87Å; G709-R718 PolarHBondContact O-NH2 3.07Å; A714-R718 WeakPolarHBondContact O-CG 3.49Å; A714-R718 PolarHBondContact O-N 3.48Å; A714-R718 VanDerWaalsContact O-N 3.12Å; K716-R718 PolarHBondContact O-N 3.49Å; R718-L724 WeakPolarHBondContact CD-O 3.28Å; R718-L724 HydrophobicContact CG-CB 4.13Å; R718-L724 VanDerWaalsContact CG-O 3.28Å; R718-L724 WeakPolarHBondContact CG-O 3.35Å; R718-D729 VanDerWaalsContact NH1-CG 3.33Å; R718-D729 IonicContact NH1-OD1 3.06Å; R718-D729 PolarHBondContact NH1-OD1 2.99Å; R718-D729 IonicContact NH1-OD2 2.76Å; R718-D729 PolarHBondContact NH1-OD2 3.1Å
719	L	78.5	Confident	78	Confident	135 Å²	135	98.6 Å²	98.6	71%	0.707	49%	0.487	S	S	*	.	H	α-helix	trans	-90	-36.5	172.2	-175.7	64.7	0	0	0	111.2	R715 K716 A717	R715-L719 WeakPolarHBondContact O-CB 3.47Å; R715-L719 PolarHBondContact O-N 3.14Å; K716-L719 WeakPolarHBondContact O-CB 3.5Å; K716-L719 PolarHBondContact O-N 2.82Å; A717-L719 PolarHBondContact O-N 3.17Å; A717-L719 VanDerWaalsContact O-N 3.16Å
720	A	83.6	Confident	78.3	Confident	81 Å²	81	100.8 Å²	100.8	67%	0.669	50%	0.497	S	S	*	.	H	α-helix	trans	-68.6	-43.5	173.9	0	0	0	0	0	111.6	K716 A717	K716-A720 PolarHBondContact O-N 2.94Å; A717-A720 PolarHBondContact O-N 2.93Å; A717-A720 VanDerWaalsContact O-N 3.14Å
721	E	80.8	Confident	79	Confident	108 Å²	108	95.7 Å²	95.7	51%	0.505	48%	0.479	S	S	.	.			trans	-116.9	103.9	-177.3	-69.8	178.1	-146	0	0	111	A717 Q723 L724	A717-E721 PolarHBondContact O-N 2.86Å; E721-Q723 PolarHBondContact O-N 3.24Å; E721-Q723 VanDerWaalsContact O-N 3.11Å; E721-L724 HydrophobicContact CB-CD1 3.85Å; E721-L724 HydrophobicContact CB-CG 3.8Å; E721-L724 HydrophobicContact CG-CD1 4.48Å; E721-L724 PolarHBondContact O-N 3.19Å; E721-L724 WeakPolarHBondContact OE2-CD1 3.42Å
722	P	75.6	Confident	79.8	Confident	85 Å²	85	92.4 Å²	92.4	55%	0.552	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20	179.9	-26.3	35.7	0	0	0	114.7	R725	P722-R725 WeakPolarHBondContact O-CB 3.42Å; P722-R725 WeakPolarHBondContact O-CD 3.26Å; P722-R725 VanDerWaalsContact O-CG 3.28Å; P722-R725 WeakPolarHBondContact O-CG 3.33Å
723	Q	75	Confident	80.8	Confident	185 Å²	185	88.2 Å²	88.2	86%	0.864	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-70.4	-36.1	178.4	-64.1	-179.2	-1.2	0	0	111.9	E721 R725	E721-Q723 PolarHBondContact O-N 3.24Å; E721-Q723 VanDerWaalsContact O-N 3.11Å; Q723-R725 PolarHBondContact O-N 3.34Å; Q723-R725 VanDerWaalsContact O-N 3.15Å
724	L	72	Confident	81.6	Confident	46 Å²	46	79.6 Å²	79.6	24%	0.241	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-74.8	0.4	-179.6	-51.2	-178.6	0	0	0	113.6	R718 E721 E726 E727	R718-L724 WeakPolarHBondContact CD-O 3.28Å; R718-L724 HydrophobicContact CG-CB 4.13Å; R718-L724 VanDerWaalsContact CG-O 3.28Å; R718-L724 WeakPolarHBondContact CG-O 3.35Å; E721-L724 HydrophobicContact CB-CD1 3.85Å; E721-L724 HydrophobicContact CB-CG 3.8Å; E721-L724 HydrophobicContact CG-CD1 4.48Å; E721-L724 PolarHBondContact O-N 3.19Å; E721-L724 WeakPolarHBondContact OE2-CD1 3.42Å; L724-E726 PolarHBondContact O-N 2.84Å; L724-E726 VanDerWaalsContact O-N 3.13Å; L724-E727 WeakPolarHBondContact CD2-OE2 3.43Å; L724-E727 PolarHBondContact O-N 3.18Å; L724-E727 VanDerWaalsContact O-N 3.1Å
725	R	68.3	Low	82.5	Confident	142 Å²	142	85.4 Å²	85.4	54%	0.536	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-59.1	-30.1	-170	-83	-179.5	175.2	-167.3	2.7	114.8	K708 P722 Q723	K708-R725 WeakPolarHBondContact CE-O 3.28Å; K708-R725 PolarHBondContact NZ-O 3.01Å; P722-R725 WeakPolarHBondContact O-CB 3.42Å; P722-R725 WeakPolarHBondContact O-CD 3.26Å; P722-R725 VanDerWaalsContact O-CG 3.28Å; P722-R725 WeakPolarHBondContact O-CG 3.33Å; Q723-R725 PolarHBondContact O-N 3.34Å; Q723-R725 VanDerWaalsContact O-N 3.15Å
726	E	71.3	Confident	83.3	Confident	177 Å²	177	81.2 Å²	81.2	83%	0.827	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-107	1.9	-179.8	-63.9	-172.7	173.4	0	0	113	L724	L724-E726 PolarHBondContact O-N 2.84Å; L724-E726 VanDerWaalsContact O-N 3.13Å
727	E	78	Confident	84.1	Confident	114 Å²	114	74.2 Å²	74.2	53%	0.533	38%	0.376	S	S	.	.			trans	-74.6	140.1	-177.5	-166.5	160.6	-168.9	0	0	112.2	L724 D729	L724-E727 WeakPolarHBondContact CD2-OE2 3.43Å; L724-E727 PolarHBondContact O-N 3.18Å; L724-E727 VanDerWaalsContact O-N 3.1Å; E727-D729 PolarHBondContact O-N 3.4Å
728	N	82.7	Confident	84.9	Confident	79 Å²	79	72.4 Å²	72.4	42%	0.422	36%	0.361	S	S	.	.			trans	-90.2	95.9	177.6	-77.9	-34.5	0	0	0	108.8	M706 V707 K708	M706-N728 HydrophobicContact CB-CB 3.9Å; M706-N728 WeakPolarHBondContact CE-O 3.27Å; M706-N728 PolarHBondContact O-ND2 2.85Å; V707-N728 WeakPolarHBondContact CA-OD1 3.43Å; K708-N728 PolarHBondContact N-OD1 3.45Å
729	D	85.6	Confident	85.6	Confident	73 Å²	73	75.8 Å²	75.8	39%	0.39	38%	0.377	S	S	.	.			trans	-94.4	-12.8	-169.7	56.2	-30.3	0	0	0	114.9	V707 K708 G709 A714 R718 E727	V707-D729 PolarHBondContact O-N 2.91Å; K708-D729 WeakPolarHBondContact CA-OD1 3.33Å; G709-D729 PolarHBondContact N-OD1 3.05Å; A714-D729 WeakPolarHBondContact CB-OD2 3.07Å; R718-D729 VanDerWaalsContact NH1-CG 3.33Å; R718-D729 IonicContact NH1-OD1 3.06Å; R718-D729 PolarHBondContact NH1-OD1 2.99Å; R718-D729 IonicContact NH1-OD2 2.76Å; R718-D729 PolarHBondContact NH1-OD2 3.1Å; E727-D729 PolarHBondContact O-N 3.4Å
730	L	88.9	Confident	86.4	Confident	49 Å²	49	75.6 Å²	75.6	26%	0.257	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112	179.2	-173.1	66.7	0	0	0	111.1	V707 L732	V707-L730 PolarHBondContact N-O 3.17Å; V707-L730 WeakPolarHBondContact O-CA 3.37Å; V707-L730 VanDerWaalsContact O-CB 3.24Å; V707-L730 WeakPolarHBondContact O-CB 3.41Å; V707-L730 PolarHBondContact O-N 2.91Å; L730-L732 HydrophobicContact CD2-CD2 4.11Å; L730-L732 HydrophobicContact CG-CD2 4.2Å
731	G	93.2	Very high	86.9	Confident	15 Å²	15	74.5 Å²	74.5	16%	0.155	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.8	169.1	0	0	0	0	0	111.9	M706	M706-G731 WeakPolarHBondContact SD-CA 3.41Å
732	L	95.8	Very high	87.5	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.5	173.5	-53	176.1	0	0	0	110.1	Y656 L684 H685 P703 Y704 K705 V707 L730	Y656-L732 HydrophobicContact CD1-CD1 3.55Å; Y656-L732 HydrophobicContact CD1-CD2 3.8Å; Y656-L732 HydrophobicContact CD1-CG 4.34Å; Y656-L732 HydrophobicContact CE1-CD1 4.12Å; Y656-L732 HydrophobicContact CE1-CD2 3.96Å; Y656-L732 HydrophobicContact CG-CD1 4.5Å; L684-L732 HydrophobicContact CB-CB 3.74Å; L684-L732 HydrophobicContact CB-CD1 4.35Å; L684-L732 HydrophobicContact CD1-CB 4.25Å; H685-L732 WeakPolarHBondContact O-CA 3.48Å; P703-L732 CarbonylContact C-O 3.51Å; Y704-L732 PolarHBondContact N-O 2.88Å; K705-L732 HydrophobicContact CB-CB 4.38Å; K705-L732 HydrophobicContact CB-CD1 4.49Å; K705-L732 HydrophobicContact CD-CD1 4.38Å; K705-L732 PolarHBondContact N-O 3.23Å; K705-L732 WeakPolarHBondContact O-CB 3.2Å; K705-L732 PolarHBondContact O-N 3.03Å; V707-L732 HydrophobicContact CB-CD1 4.28Å; V707-L732 HydrophobicContact CG2-CD1 3.5Å; V707-L732 VanDerWaalsContact CG2-CD1 3.5Å; V707-L732 HydrophobicContact CG2-CG 4.22Å; L730-L732 HydrophobicContact CD2-CD2 4.11Å; L730-L732 HydrophobicContact CG-CD2 4.2Å
733	F	97	Very high	88.3	Confident	12 Å²	12	75 Å²	75	5%	0.053	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-121.7	145.5	-176.1	-57.4	-90.5	0	0	0	110	L684 H685 R687 W690 V697 P703 Q737	L684-F733 WeakPolarHBondContact CA-O 3.35Å; H685-F733 PolarHBondContact N-O 3.08Å; H685-F733 VanDerWaalsContact N-O 3.08Å; H685-F733 PolarHBondContact O-N 2.74Å; R687-F733 HydrophobicContact CB-CE2 4.5Å; W690-F733 PolarHBondContact NE1-O 2.91Å; V697-F733 HydrophobicContact CB-CD1 4.47Å; V697-F733 HydrophobicContact CB-CG 4.43Å; V697-F733 HydrophobicContact CG1-CD1 3.45Å; V697-F733 VanDerWaalsContact CG1-CD1 3.45Å; V697-F733 HydrophobicContact CG1-CD2 4.34Å; V697-F733 HydrophobicContact CG1-CE1 3.57Å; V697-F733 HydrophobicContact CG1-CE2 4.45Å; V697-F733 HydrophobicContact CG1-CG 3.86Å; V697-F733 HydrophobicContact CG1-CZ 4.09Å; V697-F733 HydrophobicContact CG2-CB 3.95Å; V697-F733 HydrophobicContact CG2-CD1 4.14Å; V697-F733 HydrophobicContact CG2-CD2 3.65Å; V697-F733 HydrophobicContact CG2-CE2 4.17Å; V697-F733 HydrophobicContact CG2-CG 3.63Å; P703-F733 VanDerWaalsContact CA-CE1 3.46Å; P703-F733 HydrophobicContact CB-CD1 4.34Å; P703-F733 HydrophobicContact CB-CE1 3.78Å; P703-F733 HydrophobicContact CB-CE2 4.32Å; P703-F733 HydrophobicContact CB-CZ 3.78Å; P703-F733 HydrophobicContact CG-CE1 4.49Å; P703-F733 HydrophobicContact CG-CZ 4.41Å; F733-Q737 HydrophobicContact CB-CB 4.4Å
734	G	95.4	Very high	89.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.323	C	S	.	.			trans	-86.5	165	173.1	0	0	0	0	0	112.9	W736 Q737	G734-W736 PolarHBondContact O-N 3.09Å; G734-Q737 VanDerWaalsContact N-OE1 3.12Å; G734-Q737 WeakPolarHBondContact O-CB 3.42Å; G734-Q737 PolarHBondContact O-N 2.86Å
735	Y	95	Very high	90.1	Very high	129 Å²	129	70.5 Å²	70.5	51%	0.506	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-54.1	-40.5	179.1	-179.5	-99.5	0	0	0	112.6	W690 R695 Q737 T738	W690-Y735 HydrophobicContact CH2-CD2 4.06Å; W690-Y735 HydrophobicContact CZ3-CD2 4.08Å; R695-Y735 PolarHBondContact NH1-OH 2.85Å; Y735-Q737 PolarHBondContact O-N 3.07Å; Y735-Q737 VanDerWaalsContact O-N 3.16Å; Y735-T738 PolarHBondContact O-N 3.06Å; Y735-T738 PolarHBondContact O-OG1 2.98Å
736	W	94.2	Very high	91.2	Very high	53 Å²	53	64.7 Å²	64.7	20%	0.201	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.9	-17.8	178.6	59.8	92.5	0	0	0	114.7	Y660 H682 L684 R698 Y704 G734	Y660-W736 AromaticContact CD1-CD2 3.81Å; Y660-W736 HydrophobicContact CD1-CD2 3.81Å; Y660-W736 AromaticContact CD1-CE3 3.57Å; Y660-W736 HydrophobicContact CD1-CE3 3.57Å; Y660-W736 HydrophobicContact CD1-CG 4.49Å; Y660-W736 HydrophobicContact CD1-CH2 4.12Å; Y660-W736 HydrophobicContact CD1-CZ2 4.33Å; Y660-W736 AromaticContact CD1-CZ3 3.74Å; Y660-W736 HydrophobicContact CD1-CZ3 3.74Å; Y660-W736 AromaticContact CD2-CD2 3.83Å; Y660-W736 HydrophobicContact CD2-CD2 3.83Å; Y660-W736 AromaticContact CD2-CE2 3.32Å; Y660-W736 HydrophobicContact CD2-CE3 4.24Å; Y660-W736 HydrophobicContact CD2-CG 4.48Å; Y660-W736 AromaticContact CD2-CH2 3.8Å; Y660-W736 HydrophobicContact CD2-CH2 3.8Å; Y660-W736 AromaticContact CD2-CZ2 3.32Å; Y660-W736 HydrophobicContact CD2-CZ2 3.32Å; Y660-W736 HydrophobicContact CD2-CZ3 4.22Å; Y660-W736 AromaticContact CD2-NE1 3.69Å; Y660-W736 HydrophobicContact CE1-CB 4.33Å; Y660-W736 AromaticContact CE1-CD2 3.71Å; Y660-W736 HydrophobicContact CE1-CD2 3.71Å; Y660-W736 AromaticContact CE1-CE3 3.83Å; Y660-W736 HydrophobicContact CE1-CE3 3.83Å; Y660-W736 AromaticContact CE1-CG 3.92Å; Y660-W736 HydrophobicContact CE1-CG 3.92Å; Y660-W736 HydrophobicContact CE1-CZ3 4.45Å; Y660-W736 AromaticContact CE2-CD1 3.66Å; Y660-W736 AromaticContact CE2-CD2 3.74Å; Y660-W736 HydrophobicContact CE2-CD2 3.74Å; Y660-W736 AromaticContact CE2-CE2 3.42Å; Y660-W736 VanDerWaalsContact CE2-CE2 3.42Å; Y660-W736 HydrophobicContact CE2-CE3 4.47Å; Y660-W736 AromaticContact CE2-CG 3.91Å; Y660-W736 HydrophobicContact CE2-CG 3.91Å; Y660-W736 AromaticContact CE2-CZ2 3.94Å; Y660-W736 HydrophobicContact CE2-CZ2 3.94Å; Y660-W736 AromaticContact CE2-NE1 3.33Å; Y660-W736 VanDerWaalsContact CE2-NE1 3.33Å; Y660-W736 AromaticContact CG-CD2 3.87Å; Y660-W736 HydrophobicContact CG-CD2 3.87Å; Y660-W736 AromaticContact CG-CE2 3.72Å; Y660-W736 AromaticContact CG-CE3 3.79Å; Y660-W736 HydrophobicContact CG-CE3 3.79Å; Y660-W736 AromaticContact CG-CH2 3.48Å; Y660-W736 HydrophobicContact CG-CH2 3.48Å; Y660-W736 VanDerWaalsContact CG-CH2 3.48Å; Y660-W736 AromaticContact CG-CZ2 3.55Å; Y660-W736 HydrophobicContact CG-CZ2 3.55Å; Y660-W736 AromaticContact CG-CZ3 3.6Å; Y660-W736 HydrophobicContact CG-CZ3 3.6Å; Y660-W736 AromaticContact CZ-CD1 3.69Å; Y660-W736 AromaticContact CZ-CD2 3.67Å; Y660-W736 AromaticContact CZ-CE2 3.89Å; Y660-W736 AromaticContact CZ-CG 3.59Å; Y660-W736 AromaticContact CZ-NE1 3.85Å; H682-W736 HydrophobicContact CB-CH2 4.21Å; H682-W736 HydrophobicContact CB-CZ3 3.67Å; H682-W736 AromaticContact CG-CZ3 3.77Å; L684-W736 HydrophobicContact CD2-CH2 3.7Å; L684-W736 HydrophobicContact CD2-CZ2 4.3Å; R698-W736 PolarHBondContact NH1-O 2.97Å; R698-W736 VanDerWaalsContact NH1-O 3.09Å; Y704-W736 HydrophobicContact CD1-CH2 4.25Å; Y704-W736 AromaticContact CD1-CZ2 3.84Å; Y704-W736 HydrophobicContact CD1-CZ2 3.84Å; Y704-W736 HydrophobicContact CD2-CZ2 4.11Å; Y704-W736 HydrophobicContact CE1-CH2 4.28Å; Y704-W736 HydrophobicContact CE1-CZ2 4.03Å; Y704-W736 HydrophobicContact CE2-CZ2 4.31Å; Y704-W736 AromaticContact CG-CZ2 3.87Å; Y704-W736 HydrophobicContact CG-CZ2 3.87Å; G734-W736 PolarHBondContact O-N 3.09Å
737	Q	95.9	Very high	92.1	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.037	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-93.5	4.4	177.4	-50.1	-169.3	-87.1	0	0	112.8	R698 E701 V702 F733 G734 Y735	R698-Q737 PolarHBondContact N-O 3.28Å; E701-Q737 HydrophobicContact CB-CB 4.45Å; E701-Q737 HydrophobicContact CG-CB 4.08Å; E701-Q737 PolarHBondContact OE2-NE2 2.85Å; V702-Q737 PolarHBondContact O-NE2 2.87Å; F733-Q737 HydrophobicContact CB-CB 4.4Å; G734-Q737 VanDerWaalsContact N-OE1 3.12Å; G734-Q737 WeakPolarHBondContact O-CB 3.42Å; G734-Q737 PolarHBondContact O-N 2.86Å; Y735-Q737 PolarHBondContact O-N 3.07Å; Y735-Q737 VanDerWaalsContact O-N 3.16Å
738	T	95.9	Very high	92.4	Very high	3 Å²	3	62 Å²	62	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.5	-172.6	65.7	0	0	0	0	112.3	W690 R695 V696 V697 Y735	W690-T738 HydrophobicContact CB-CG2 4.42Å; W690-T738 HydrophobicContact CD2-CG2 3.77Å; W690-T738 HydrophobicContact CE3-CG2 4.38Å; W690-T738 HydrophobicContact CG-CG2 3.77Å; R695-T738 PolarHBondContact NE-OG1 3.07Å; R695-T738 PolarHBondContact NH2-O 3.16Å; V696-T738 CarbonylContact O-C 3.53Å; V696-T738 VanDerWaalsContact O-CA 3.23Å; V696-T738 WeakPolarHBondContact O-CA 3.42Å; V697-T738 HydrophobicContact CG2-CG2 4.14Å; Y735-T738 PolarHBondContact O-N 3.06Å; Y735-T738 PolarHBondContact O-OG1 2.98Å
739	E	95.7	Very high	92.6	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	162.4	170.8	-75.8	170.7	175.2	0	0	110.1	R695 V696 R698	R695-E739 CarbonylContact C-O 3.55Å; R695-E739 WeakPolarHBondContact CA-O 3.44Å; R695-E739 WeakPolarHBondContact CB-O 3.37Å; V696-E739 PolarHBondContact N-O 3.29Å; V696-E739 PolarHBondContact O-N 3.44Å; R698-E739 VanDerWaalsContact CG-CD 3.49Å; R698-E739 HydrophobicContact CG-CG 3.72Å; R698-E739 IonicContact CZ-OE1 2.65Å; R698-E739 IonicContact NE-OE1 3.65Å; R698-E739 PolarHBondContact NE-OE1 3.11Å; R698-E739 IonicContact NH2-OE1 3.71Å
740	E	94.8	Very high	92.8	Very high	132 Å²	132	61.5 Å²	61.5	62%	0.617	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.9	174.5	-170.3	165.3	-171	0	0	110.5	Q742	E740-Q742 PolarHBondContact O-N 2.99Å
741	Y	93.9	Very high	92.9	Very high	58 Å²	58	59.4 Å²	59.4	23%	0.227	30%	0.301	C	S	.	.			trans	-67.1	118.7	178.2	174.5	-101.5	0	0	0	109.6	L691 A694 V696 P743 P744 M766	L691-Y741 HydrophobicContact CD1-CD2 3.82Å; L691-Y741 HydrophobicContact CD1-CE2 4.04Å; A694-Y741 VanDerWaalsContact C-CB 3.48Å; A694-Y741 VanDerWaalsContact O-CB 3.25Å; A694-Y741 WeakPolarHBondContact O-CB 3.42Å; A694-Y741 PolarHBondContact O-N 3.11Å; V696-Y741 HydrophobicContact CG2-CD2 3.65Å; V696-Y741 HydrophobicContact CG2-CG 4.4Å; Y741-P743 HydrophobicContact CE1-CB 4.06Å; Y741-P743 VanDerWaalsContact O-CD 3.23Å; Y741-P743 WeakPolarHBondContact O-CD 3.45Å; Y741-P744 WeakPolarHBondContact OH-CD 3.47Å; Y741-M766 HydrophobicContact CD1-CB 4.24Å; Y741-M766 HydrophobicContact CD1-CE 4.11Å; Y741-M766 HydrophobicContact CD1-CG 4.02Å; Y741-M766 HydrophobicContact CE1-CB 4.19Å; Y741-M766 HydrophobicContact CE1-CE 4.09Å; Y741-M766 HydrophobicContact CE1-CG 4.4Å; Y741-M766 HydrophobicContact CG-CE 4.41Å
742	Q	92.4	Very high	92.8	Very high	171 Å²	171	60.5 Å²	60.5	80%	0.799	31%	0.306	S	S	*	.			trans	-84.7	110.6	172.5	-64.9	-179.3	8.4	0	0	108.6	E740	E740-Q742 PolarHBondContact O-N 2.99Å
743	P	92.7	Very high	92.6	Very high	31 Å²	31	67.4 Å²	67.4	20%	0.201	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.2	141.7	178.8	25.9	-33.3	0	0	0	111.1	Y741 M767 I769	Y741-P743 HydrophobicContact CE1-CB 4.06Å; Y741-P743 VanDerWaalsContact O-CD 3.23Å; Y741-P743 WeakPolarHBondContact O-CD 3.45Å; P743-M767 WeakPolarHBondContact CB-O 3.45Å; P743-I769 HydrophobicContact CG-CD1 4.21Å; P743-I769 HydrophobicContact CG-CG1 3.95Å
744	P	92.4	Very high	92.3	Very high	49 Å²	49	68.6 Å²	68.6	32%	0.318	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.6	176.9	29.4	-35.9	0	0	0	110.9	Y741 P752 P768 I769	Y741-P744 WeakPolarHBondContact OH-CD 3.47Å; P744-P752 HydrophobicContact CB-CB 3.76Å; P744-P752 HydrophobicContact CB-CG 3.88Å; P744-P752 HydrophobicContact CG-CB 3.52Å; P744-P752 HydrophobicContact CG-CG 3.91Å; P744-P768 HydrophobicContact CG-CB 4.47Å; P744-P768 CarbonylContact O-C 3.52Å; P744-P768 WeakPolarHBondContact O-CA 3.25Å; P744-P768 WeakPolarHBondContact O-CB 3.34Å; P744-I769 PolarHBondContact O-N 2.84Å
745	V	92.2	Very high	92	Very high	88 Å²	88	77.6 Å²	77.6	53%	0.533	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-83	136.6	174	-171.8	0	0	0	0	109.3	P752 I769	V745-P752 WeakPolarHBondContact O-CG 3.33Å; V745-I769 HydrophobicContact CB-CB 4.5Å; V745-I769 HydrophobicContact CG1-CB 4.45Å; V745-I769 HydrophobicContact CG2-CB 4.19Å; V745-I769 HydrophobicContact CG2-CD1 4.18Å
746	A	91.9	Very high	91.7	Very high	21 Å²	21	78.1 Å²	78.1	17%	0.174	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-73.1	136.8	170.8	0	0	0	0	0	110.8	I769	A746-I769 PolarHBondContact N-O 3.17Å
747	V	89.8	Confident	91.5	Very high	92 Å²	92	77 Å²	77	56%	0.558	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-134.7	144.6	-177.2	-174.2	0	0	0	0	108.5	G749 K750	V747-G749 PolarHBondContact O-N 3.12Å; V747-K750 PolarHBondContact O-N 3.31Å
748	D	85.7	Confident	91.3	Very high	141 Å²	141	78.6 Å²	78.6	75%	0.754	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.5	-179.7	-52.5	-31.5	0	0	0	114.4	K750	D748-K750 PolarHBondContact O-N 3.41Å
749	G	85.3	Confident	91.1	Very high	12 Å²	12	78.9 Å²	78.9	12%	0.124	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	15	-179.5	0	0	0	0	0	114.9	V747 C814	V747-G749 PolarHBondContact O-N 3.12Å; G749-C814 PolarHBondContact O-SG 3.44Å
750	K	90	Very high	91	Very high	130 Å²	130	77 Å²	77	57%	0.565	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-109	139.2	-179.3	-67.5	167.1	-173	164.2	0	111.8	V747 D748 D789	V747-K750 PolarHBondContact O-N 3.31Å; D748-K750 PolarHBondContact O-N 3.41Å; K750-D789 WeakPolarHBondContact CA-OD2 3.36Å
751	V	92	Very high	90.9	Very high	6 Å²	6	71.1 Å²	71.1	4%	0.036	36%	0.363	C	S	.	.			trans	-84.3	125.5	-179.5	-177.4	0	0	0	0	109.3	R753 V759 D789 V791 I812	V751-R753 VanDerWaalsContact O-CG 3.25Å; V751-R753 WeakPolarHBondContact O-CG 3.48Å; V751-R753 PolarHBondContact O-N 3.02Å; V751-V759 HydrophobicContact CG1-CG2 3.69Å; V751-D789 PolarHBondContact N-OD2 2.82Å; V751-V791 HydrophobicContact CB-CB 4.48Å; V751-V791 HydrophobicContact CB-CG2 3.9Å; V751-V791 HydrophobicContact CG1-CB 4.35Å; V751-V791 HydrophobicContact CG1-CG2 4.25Å; V751-V791 HydrophobicContact CG2-CG2 4.45Å; V751-I812 HydrophobicContact CG1-CB 4.22Å; V751-I812 HydrophobicContact CG1-CG2 3.81Å; V751-I812 HydrophobicContact CG2-CG2 4.49Å
752	P	91.6	Very high	90.8	Very high	37 Å²	37	69.6 Å²	69.6	24%	0.24	36%	0.358	C	S	.	.			trans	-61.1	125.4	176.3	-24	34.6	0	0	0	111.8	P744 V745 V759 P768	P744-P752 HydrophobicContact CB-CB 3.76Å; P744-P752 HydrophobicContact CB-CG 3.88Å; P744-P752 HydrophobicContact CG-CB 3.52Å; P744-P752 HydrophobicContact CG-CG 3.91Å; V745-P752 WeakPolarHBondContact O-CG 3.33Å; P752-V759 WeakPolarHBondContact O-CG2 3.44Å; P752-P768 HydrophobicContact CG-CB 4.29Å
753	R	90.9	Very high	90.7	Very high	146 Å²	146	64 Å²	64	55%	0.551	33%	0.333	S	S	*	.			trans	-110.6	153	-174	-50.8	-175.1	-174.8	177.4	-1.3	112.4	V751 D789 V791	V751-R753 VanDerWaalsContact O-CG 3.25Å; V751-R753 WeakPolarHBondContact O-CG 3.48Å; V751-R753 PolarHBondContact O-N 3.02Å; R753-D789 IonicContact CZ-OD1 3.5Å; R753-D789 IonicContact NE-OD1 2.74Å; R753-D789 IonicContact NH2-OD1 3.58Å; R753-D789 PolarHBondContact NH2-OD1 3.32Å; R753-D789 IonicContact NH2-OD2 3.97Å; R753-V791 HydrophobicContact CG-CG1 4.45Å; R753-V791 HydrophobicContact CG-CG2 4.16Å
754	N	91	Very high	90.7	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	35%	0.351	C	S	.	.			trans	-79.6	177.6	168.6	70.9	17.1	0	0	0	112.2	F756 G757 N758 Y760	N754-F756 PolarHBondContact O-N 3.38Å; N754-F756 WeakPolarHBondContact OD1-CA 3.46Å; N754-F756 WeakPolarHBondContact OD1-CB 3.5Å; N754-F756 PolarHBondContact OD1-N 2.79Å; N754-G757 PolarHBondContact O-N 3.42Å; N754-G757 PolarHBondContact OD1-N 3.07Å; N754-N758 PolarHBondContact N-O 3.38Å; N754-N758 PolarHBondContact ND2-O 2.95Å; N754-N758 PolarHBondContact OD1-N 3.41Å; N754-N758 PolarHBondContact OD1-O 3.44Å; N754-N758 VanDerWaalsContact OD1-O 3.05Å; N754-Y760 HydrophobicContact CB-CD2 4.35Å; N754-Y760 HydrophobicContact CB-CE2 4.17Å; N754-Y760 WeakPolarHBondContact ND2-CE1 3.3Å; N754-Y760 VanDerWaalsContact ND2-CE2 3.27Å; N754-Y760 WeakPolarHBondContact ND2-CE2 3.24Å
755	E	89.1	Confident	90.6	Very high	189 Å²	189	67.3 Å²	67.3	88%	0.883	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.6	177.4	-62.2	173.8	-173.8	0	0	114.4
756	F	88.3	Confident	90.6	Very high	140 Å²	140	63.2 Å²	63.2	61%	0.614	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	4.8	178.9	-57.1	-77.1	0	0	0	113.3	N754 N758 Y760	N754-F756 PolarHBondContact O-N 3.38Å; N754-F756 WeakPolarHBondContact OD1-CA 3.46Å; N754-F756 WeakPolarHBondContact OD1-CB 3.5Å; N754-F756 PolarHBondContact OD1-N 2.79Å; F756-N758 VanDerWaalsContact C-N 3.3Å; F756-N758 PolarHBondContact O-N 3.2Å; F756-N758 PolarHBondContact O-ND2 3.29Å; F756-Y760 WeakPolarHBondContact CD2-OH 3.47Å; F756-Y760 WeakPolarHBondContact CE2-OH 3.46Å
757	G	89.4	Confident	90.6	Very high	30 Å²	30	64.6 Å²	64.6	31%	0.309	33%	0.334	S	S	.	.	S	Bend	trans	74.1	14.4	-178	0	0	0	0	0	114.9	N754 V791	N754-G757 PolarHBondContact O-N 3.42Å; N754-G757 PolarHBondContact OD1-N 3.07Å; G757-V791 WeakPolarHBondContact O-CG1 3.18Å
758	N	92.4	Very high	90.8	Very high	41 Å²	41	60.3 Å²	60.3	22%	0.219	31%	0.309	C	S	.	.	S	Bend	trans	-116.8	178.2	179	-63.6	-63.8	0	0	0	110.9	N754 F756 I794	N754-N758 PolarHBondContact N-O 3.38Å; N754-N758 PolarHBondContact ND2-O 2.95Å; N754-N758 PolarHBondContact OD1-N 3.41Å; N754-N758 PolarHBondContact OD1-O 3.44Å; N754-N758 VanDerWaalsContact OD1-O 3.05Å; F756-N758 VanDerWaalsContact C-N 3.3Å; F756-N758 PolarHBondContact O-N 3.2Å; F756-N758 PolarHBondContact O-ND2 3.29Å; N758-I794 HydrophobicContact CB-CD1 3.67Å; N758-I794 HydrophobicContact CB-CG1 4.11Å
759	V	92.4	Very high	91.1	Very high	10 Å²	10	58 Å²	58	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.3	169.6	-169.7	0	0	0	0	109.9	V751 P752 P768 V791 Q792 I794 I812	V751-V759 HydrophobicContact CG1-CG2 3.69Å; P752-V759 WeakPolarHBondContact O-CG2 3.44Å; V759-P768 HydrophobicContact CG1-CG 4.07Å; V759-V791 HydrophobicContact CG2-CB 4.23Å; V759-V791 HydrophobicContact CG2-CG1 3.82Å; V759-Q792 PolarHBondContact N-O 3.3Å; V759-I794 PolarHBondContact O-N 3.36Å; V759-I812 HydrophobicContact CB-CD1 3.69Å; V759-I812 HydrophobicContact CG1-CD1 3.69Å; V759-I812 HydrophobicContact CG2-CD1 4.11Å
760	Y	93	Very high	91.4	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.1	169.7	-68.2	-48	0	0	0	109.8	L691 N754 F756 F762 I794 F797	L691-Y760 HydrophobicContact CD2-CD2 4.42Å; N754-Y760 HydrophobicContact CB-CD2 4.35Å; N754-Y760 HydrophobicContact CB-CE2 4.17Å; N754-Y760 WeakPolarHBondContact ND2-CE1 3.3Å; N754-Y760 VanDerWaalsContact ND2-CE2 3.27Å; N754-Y760 WeakPolarHBondContact ND2-CE2 3.24Å; F756-Y760 WeakPolarHBondContact CD2-OH 3.47Å; F756-Y760 WeakPolarHBondContact CE2-OH 3.46Å; Y760-F762 HydrophobicContact CD1-CE1 4.31Å; Y760-F762 AromaticContact CD1-CE2 3.95Å; Y760-F762 HydrophobicContact CD1-CE2 3.95Å; Y760-F762 AromaticContact CD1-CZ 3.5Å; Y760-F762 HydrophobicContact CD1-CZ 3.5Å; Y760-F762 VanDerWaalsContact CD1-CZ 3.5Å; Y760-F762 HydrophobicContact CD2-CE2 4.42Å; Y760-F762 HydrophobicContact CE1-CZ 4.11Å; Y760-F762 AromaticContact CG-CE2 3.76Å; Y760-F762 HydrophobicContact CG-CE2 3.76Å; Y760-F762 AromaticContact CG-CZ 3.83Å; Y760-F762 HydrophobicContact CG-CZ 3.83Å; Y760-I794 HydrophobicContact CD1-CB 4.13Å; Y760-I794 HydrophobicContact CD1-CD1 4.46Å; Y760-I794 HydrophobicContact CD1-CG2 4.24Å; Y760-I794 HydrophobicContact CE1-CD1 4.19Å; Y760-I794 HydrophobicContact CE1-CG2 4.43Å; Y760-F797 HydrophobicContact CE1-CZ 4.2Å
761	L	92.3	Very high	91.5	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	28%	0.284	C	S	.	.			trans	-130.1	60.3	-177.7	-165.2	78.3	0	0	0	109.6	M767 Q773 A793 I794 I812	L761-M767 HydrophobicContact CD1-CB 3.85Å; L761-M767 HydrophobicContact CD1-CE 4.38Å; L761-M767 HydrophobicContact CD1-CG 4.26Å; L761-M767 HydrophobicContact CD2-CE 4.48Å; L761-Q773 HydrophobicContact CD2-CB 4.44Å; L761-Q773 VanDerWaalsContact CD2-CD 3.5Å; L761-Q773 HydrophobicContact CD2-CG 4.1Å; L761-A793 HydrophobicContact CB-CB 4.16Å; L761-A793 HydrophobicContact CD2-CB 4.05Å; L761-I794 PolarHBondContact N-O 2.89Å; L761-I812 HydrophobicContact CB-CD1 4.43Å; L761-I812 HydrophobicContact CD1-CD1 4.14Å; L761-I812 HydrophobicContact CD2-CD1 4.26Å
762	F	91.4	Very high	91.6	Very high	25 Å²	25	54.8 Å²	54.8	11%	0.11	29%	0.292	C	S	.	.	S	Bend	trans	-73.1	-29.8	-178.2	-54.6	-62.6	0	0	0	112.7	M118 K692 Y760 M766 F797	M118-F762 VanDerWaalsContact CE-O 3.28Å; M118-F762 WeakPolarHBondContact CE-O 3.45Å; K692-F762 HydrophobicContact CB-CD2 4.24Å; K692-F762 HydrophobicContact CB-CG 4.26Å; K692-F762 HydrophobicContact CG-CD1 4.32Å; K692-F762 HydrophobicContact CG-CD2 4.07Å; K692-F762 HydrophobicContact CG-CE1 4.32Å; K692-F762 HydrophobicContact CG-CE2 4.03Å; K692-F762 HydrophobicContact CG-CG 4.21Å; K692-F762 HydrophobicContact CG-CZ 4.18Å; K692-F762 VanDerWaalsContact O-CB 3.27Å; K692-F762 WeakPolarHBondContact O-CB 3.39Å; Y760-F762 HydrophobicContact CD1-CE1 4.31Å; Y760-F762 AromaticContact CD1-CE2 3.95Å; Y760-F762 HydrophobicContact CD1-CE2 3.95Å; Y760-F762 AromaticContact CD1-CZ 3.5Å; Y760-F762 HydrophobicContact CD1-CZ 3.5Å; Y760-F762 VanDerWaalsContact CD1-CZ 3.5Å; Y760-F762 HydrophobicContact CD2-CE2 4.42Å; Y760-F762 HydrophobicContact CE1-CZ 4.11Å; Y760-F762 AromaticContact CG-CE2 3.76Å; Y760-F762 HydrophobicContact CG-CE2 3.76Å; Y760-F762 AromaticContact CG-CZ 3.83Å; Y760-F762 HydrophobicContact CG-CZ 3.83Å; F762-M766 HydrophobicContact CB-SD 3.89Å; F762-M766 HydrophobicContact CD2-CE 4.01Å; F762-M766 HydrophobicContact CD2-SD 3.75Å; F762-M766 HydrophobicContact CG-SD 4.28Å; F762-F797 HydrophobicContact CE1-CD2 4.43Å; F762-F797 HydrophobicContact CE1-CE2 4.02Å; F762-F797 HydrophobicContact CZ-CE2 4.08Å
763	L	91.4	Very high	91.6	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.288	29%	0.293	S	S	.	.	S	Bend	trans	-133	152.2	174	-72.4	171.8	0	0	0	109.4	M118 A694 S765 M766	M118-L763 HydrophobicContact CE-CD2 3.83Å; M118-L763 HydrophobicContact SD-CD2 3.95Å; A694-L763 HydrophobicContact CB-CB 4.29Å; A694-L763 HydrophobicContact CB-CD1 3.74Å; L763-S765 PolarHBondContact O-N 3.32Å; L763-S765 VanDerWaalsContact O-N 3.15Å; L763-M766 HydrophobicContact CB-CG 4.42Å; L763-M766 WeakPolarHBondContact O-CB 3.46Å; L763-M766 PolarHBondContact O-N 3.32Å
764	P	91.4	Very high	91.7	Very high	89 Å²	89	49.7 Å²	49.7	58%	0.578	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-56.1	-30.7	178.2	-27	35.4	0	0	0	114.2	M118 M766 M767	M118-P764 HydrophobicContact SD-CG 4.33Å; P764-M766 PolarHBondContact O-N 2.98Å; P764-M767 WeakPolarHBondContact O-CB 3.46Å; P764-M767 PolarHBondContact O-N 3.45Å
765	S	91.5	Very high	91.7	Very high	60 Å²	60	52 Å²	52	42%	0.42	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68	-13.1	176.8	52.8	0	0	0	0	114.7	L763 M767	L763-S765 PolarHBondContact O-N 3.32Å; L763-S765 VanDerWaalsContact O-N 3.15Å; S765-M767 VanDerWaalsContact C-N 3.29Å
766	M	92.3	Very high	91.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-84.2	-2.1	176.1	-59.4	-172.7	70.3	0	0	113.5	L691 A694 Y741 F762 L763 P764	L691-M766 HydrophobicContact CD1-CE 3.86Å; L691-M766 HydrophobicContact CG-CE 4.2Å; L691-M766 WeakPolarHBondContact O-CE 3.35Å; A694-M766 HydrophobicContact CB-CG 3.58Å; A694-M766 HydrophobicContact CB-SD 4.06Å; Y741-M766 HydrophobicContact CD1-CB 4.24Å; Y741-M766 HydrophobicContact CD1-CE 4.11Å; Y741-M766 HydrophobicContact CD1-CG 4.02Å; Y741-M766 HydrophobicContact CE1-CB 4.19Å; Y741-M766 HydrophobicContact CE1-CE 4.09Å; Y741-M766 HydrophobicContact CE1-CG 4.4Å; Y741-M766 HydrophobicContact CG-CE 4.41Å; F762-M766 HydrophobicContact CB-SD 3.89Å; F762-M766 HydrophobicContact CD2-CE 4.01Å; F762-M766 HydrophobicContact CD2-SD 3.75Å; F762-M766 HydrophobicContact CG-SD 4.28Å; L763-M766 HydrophobicContact CB-CG 4.42Å; L763-M766 WeakPolarHBondContact O-CB 3.46Å; L763-M766 PolarHBondContact O-N 3.32Å; P764-M766 PolarHBondContact O-N 2.98Å
767	M	91.8	Very high	91.5	Very high	49 Å²	49	42 Å²	42	24%	0.241	25%	0.247	C	C	.	.	S	Bend	trans	-63.3	128.5	-179.3	-163.8	170.8	-56.3	0	0	110.5	P743 L761 P764 S765 I769 C771 Q773	P743-M767 WeakPolarHBondContact CB-O 3.45Å; L761-M767 HydrophobicContact CD1-CB 3.85Å; L761-M767 HydrophobicContact CD1-CE 4.38Å; L761-M767 HydrophobicContact CD1-CG 4.26Å; L761-M767 HydrophobicContact CD2-CE 4.48Å; P764-M767 WeakPolarHBondContact O-CB 3.46Å; P764-M767 PolarHBondContact O-N 3.45Å; S765-M767 VanDerWaalsContact C-N 3.29Å; M767-I769 PolarHBondContact O-N 2.9Å; M767-C771 VanDerWaalsContact SD-O 3.36Å; M767-Q773 HydrophobicContact CE-CB 3.84Å
768	P	93.4	Very high	91.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.013	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-54.9	137.8	174.4	-26.3	35.1	0	0	0	111.6	P744 P752 V759 G770 C771	P744-P768 HydrophobicContact CG-CB 4.47Å; P744-P768 CarbonylContact O-C 3.52Å; P744-P768 WeakPolarHBondContact O-CA 3.25Å; P744-P768 WeakPolarHBondContact O-CB 3.34Å; P752-P768 HydrophobicContact CG-CB 4.29Å; V759-P768 HydrophobicContact CG1-CG 4.07Å; P768-G770 PolarHBondContact O-N 3.32Å; P768-C771 HydrophobicContact CB-CB 4.17Å; P768-C771 WeakPolarHBondContact O-CB 3.44Å; P768-C771 PolarHBondContact O-N 2.84Å
769	I	92.5	Very high	91	Very high	94 Å²	94	43.3 Å²	43.3	48%	0.482	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-69	128.2	-176.9	-58.6	171	0	0	0	108.4	P743 P744 V745 A746 M767	P743-I769 HydrophobicContact CG-CD1 4.21Å; P743-I769 HydrophobicContact CG-CG1 3.95Å; P744-I769 PolarHBondContact O-N 2.84Å; V745-I769 HydrophobicContact CB-CB 4.5Å; V745-I769 HydrophobicContact CG1-CB 4.45Å; V745-I769 HydrophobicContact CG2-CB 4.19Å; V745-I769 HydrophobicContact CG2-CD1 4.18Å; A746-I769 PolarHBondContact N-O 3.17Å; M767-I769 PolarHBondContact O-N 2.9Å
770	G	91.2	Very high	90.8	Very high	37 Å²	37	45.7 Å²	45.7	38%	0.381	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.8	-172.2	0	0	0	0	0	114.5	P768 C814 E815	P768-G770 PolarHBondContact O-N 3.32Å; G770-C814 CarbonylContact O-C 3.41Å; G770-C814 WeakPolarHBondContact O-CA 3.32Å; G770-E815 PolarHBondContact O-N 3.09Å
771	C	92.9	Very high	90.6	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	158.6	173	-70.4	0	0	0	0	112.9	M767 P768 I812 V813	M767-C771 VanDerWaalsContact SD-O 3.36Å; P768-C771 HydrophobicContact CB-CB 4.17Å; P768-C771 WeakPolarHBondContact O-CB 3.44Å; P768-C771 PolarHBondContact O-N 2.84Å; C771-I812 HydrophobicContact CB-CG2 3.51Å; C771-V813 CarbonylContact C-O 3.52Å; C771-V813 WeakPolarHBondContact CA-O 3.27Å
772	V	92.6	Very high	90.5	Very high	32 Å²	32	48.7 Å²	48.7	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.9	176.2	179.1	0	0	0	0	109.7	L774 V813 E815 K818	V772-L774 HydrophobicContact CG1-CD2 4.35Å; V772-V813 PolarHBondContact N-O 2.83Å; V772-V813 PolarHBondContact O-N 3.28Å; V772-V813 VanDerWaalsContact O-N 3.16Å; V772-E815 HydrophobicContact CG2-CB 4.01Å; V772-E815 HydrophobicContact CG2-CG 3.98Å; V772-K818 HydrophobicContact CG1-CD 4.37Å; V772-K818 HydrophobicContact CG2-CD 4.43Å
773	Q	93.3	Very high	90.5	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.271	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.1	172.3	-170.9	-171.7	7.1	0	0	110.8	L761 M767 N775 D809 Y811	L761-Q773 HydrophobicContact CD2-CB 4.44Å; L761-Q773 VanDerWaalsContact CD2-CD 3.5Å; L761-Q773 HydrophobicContact CD2-CG 4.1Å; M767-Q773 HydrophobicContact CE-CB 3.84Å; Q773-N775 WeakPolarHBondContact CG-OD1 3.27Å; Q773-N775 PolarHBondContact NE2-OD1 3.16Å; Q773-D809 PolarHBondContact NE2-O 3.05Å; Q773-Y811 CarbonylContact C-O 3.58Å; Q773-Y811 WeakPolarHBondContact CA-O 3.3Å
774	L	92	Very high	90.5	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.1	178.9	-65.2	176.7	0	0	0	110.9	V772 L776 L779 G810 Y811 K818 L821 L822	V772-L774 HydrophobicContact CG1-CD2 4.35Å; L774-L776 VanDerWaalsContact C-N 3.3Å; L774-L776 PolarHBondContact O-N 3.23Å; L774-L776 VanDerWaalsContact O-N 3.12Å; L774-L779 HydrophobicContact CB-CD2 3.57Å; L774-L779 HydrophobicContact CD1-CD2 4Å; L774-L779 HydrophobicContact CG-CD2 4.46Å; L774-G810 WeakPolarHBondContact O-CA 3.46Å; L774-Y811 PolarHBondContact N-O 3.29Å; L774-Y811 PolarHBondContact O-N 2.86Å; L774-K818 HydrophobicContact CD2-CG 4.48Å; L774-L821 HydrophobicContact CD1-CD2 3.81Å; L774-L822 HydrophobicContact CD2-CD2 4.47Å
775	N	90.5	Very high	90.4	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	27%	0.269	S	S	.	.			trans	-90.6	61	-177.9	-65.9	16.9	0	0	0	111	Q773 D809 G810	Q773-N775 WeakPolarHBondContact CG-OD1 3.27Å; Q773-N775 PolarHBondContact NE2-OD1 3.16Å; N775-D809 PolarHBondContact ND2-OD1 2.72Å; N775-D809 VanDerWaalsContact ND2-OD1 3.15Å; N775-D809 PolarHBondContact ND2-OD2 3.05Å; N775-G810 WeakPolarHBondContact OD1-CA 3.3Å
776	L	87.7	Confident	90.4	Very high	39 Å²	39	52.9 Å²	52.9	20%	0.204	27%	0.267	C	S	.	.			trans	-113.4	134.2	-177.6	-61.5	175.2	0	0	0	112.1	L774 L779 L822 W825	L774-L776 VanDerWaalsContact C-N 3.3Å; L774-L776 PolarHBondContact O-N 3.23Å; L774-L776 VanDerWaalsContact O-N 3.12Å; L776-L779 HydrophobicContact CB-CB 4.22Å; L776-L779 HydrophobicContact CB-CD1 4.21Å; L776-L779 HydrophobicContact CB-CD2 4.25Å; L776-L779 HydrophobicContact CB-CG 4.48Å; L776-L779 HydrophobicContact CD1-CD1 4.06Å; L776-L779 WeakPolarHBondContact O-CB 3.47Å; L776-L822 HydrophobicContact CD1-CD2 3.59Å; L776-W825 HydrophobicContact CB-CD2 4.46Å; L776-W825 HydrophobicContact CB-CZ2 4.31Å; L776-W825 HydrophobicContact CD1-CD2 4.04Å; L776-W825 HydrophobicContact CD1-CE3 4.27Å; L776-W825 HydrophobicContact CD1-CG 4.25Å; L776-W825 HydrophobicContact CD2-CH2 4.11Å; L776-W825 HydrophobicContact CD2-CZ2 4.13Å; L776-W825 HydrophobicContact CD2-CZ3 4.34Å
777	P	86.4	Confident	90.3	Very high	81 Å²	81	60.2 Å²	60.2	53%	0.526	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	141.9	179.5	28.4	-35.3	0	0	0	111.1	L779 W825	P777-L779 PolarHBondContact O-N 3.43Å; P777-L779 VanDerWaalsContact O-N 3.12Å; P777-W825 HydrophobicContact CG-CZ2 4.01Å; P777-W825 PolarHBondContact O-NE1 2.96Å
778	N	82.7	Confident	90.3	Very high	98 Å²	98	58.7 Å²	58.7	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	15.2	178.5	-57.4	-28.3	0	0	0	115.6	H780 R781	N778-H780 VanDerWaalsContact C-N 3.32Å; N778-H780 PolarHBondContact O-N 3.44Å; N778-R781 VanDerWaalsContact O-CB 3.29Å; N778-R781 WeakPolarHBondContact O-CB 3.4Å; N778-R781 PolarHBondContact O-N 3.45Å
779	L	88.7	Confident	90.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-39.3	-175.8	-166.9	66.3	0	0	0	113.2	L774 L776 P777 R781 V782 A783 Y811 L821 W825	L774-L779 HydrophobicContact CB-CD2 3.57Å; L774-L779 HydrophobicContact CD1-CD2 4Å; L774-L779 HydrophobicContact CG-CD2 4.46Å; L776-L779 HydrophobicContact CB-CB 4.22Å; L776-L779 HydrophobicContact CB-CD1 4.21Å; L776-L779 HydrophobicContact CB-CD2 4.25Å; L776-L779 HydrophobicContact CB-CG 4.48Å; L776-L779 HydrophobicContact CD1-CD1 4.06Å; L776-L779 WeakPolarHBondContact O-CB 3.47Å; P777-L779 PolarHBondContact O-N 3.43Å; P777-L779 VanDerWaalsContact O-N 3.12Å; L779-R781 PolarHBondContact O-N 2.95Å; L779-R781 VanDerWaalsContact O-N 3.17Å; L779-V782 WeakPolarHBondContact O-CA 3.25Å; L779-V782 WeakPolarHBondContact O-CB 3.34Å; L779-V782 PolarHBondContact O-N 3.26Å; L779-A783 PolarHBondContact O-N 3.2Å; L779-Y811 HydrophobicContact CB-CD2 3.7Å; L779-Y811 HydrophobicContact CB-CE2 3.9Å; L779-Y811 HydrophobicContact CD2-CD2 4.13Å; L779-Y811 HydrophobicContact CG-CD2 4.48Å; L779-L821 HydrophobicContact CD1-CD2 3.7Å; L779-L821 HydrophobicContact CD1-CG 3.89Å; L779-L821 HydrophobicContact CD2-CD2 3.68Å; L779-L821 HydrophobicContact CG-CD2 3.69Å; L779-L821 HydrophobicContact CG-CG 4.32Å; L779-W825 HydrophobicContact CD1-CB 3.91Å; L779-W825 HydrophobicContact CD1-CG 3.94Å
780	H	87.4	Confident	90.1	Very high	60 Å²	60	56 Å²	56	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-30.8	173.1	175.4	-104	0	0	0	113.6	N778 R784 Y811	N778-H780 VanDerWaalsContact C-N 3.32Å; N778-H780 PolarHBondContact O-N 3.44Å; H780-R784 PolarHBondContact CE1-NE 2.69Å; H780-R784 WeakPolarHBondContact O-CB 3.24Å; H780-R784 VanDerWaalsContact O-CG 3.3Å; H780-R784 WeakPolarHBondContact O-CG 3.45Å; H780-R784 PolarHBondContact O-N 2.91Å; H780-Y811 HydrophobicContact CB-CD1 4.21Å; H780-Y811 HydrophobicContact CB-CE1 3.49Å; H780-Y811 VanDerWaalsContact CB-CE1 3.49Å
781	R	88.7	Confident	90.2	Very high	123 Å²	123	54.6 Å²	54.6	46%	0.464	27%	0.27	S	S	.	.	H	α-helix	trans	-70.3	-34.3	174.2	-173.4	-177.8	-178.1	157.8	6.7	111.9	D459 N778 L779 K785	D459-R781 IonicContact OD2-NH1 3.59Å; N778-R781 VanDerWaalsContact O-CB 3.29Å; N778-R781 WeakPolarHBondContact O-CB 3.4Å; N778-R781 PolarHBondContact O-N 3.45Å; L779-R781 PolarHBondContact O-N 2.95Å; L779-R781 VanDerWaalsContact O-N 3.17Å; R781-K785 WeakPolarHBondContact O-CG 3.25Å
782	V	90.6	Very high	90.2	Very high	6 Å²	6	57.4 Å²	57.4	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-73.7	-45.5	176.4	-176.8	0	0	0	0	109.8	L779 R784 K785 L786 A824 W825 E828	L779-V782 WeakPolarHBondContact O-CA 3.25Å; L779-V782 WeakPolarHBondContact O-CB 3.34Å; L779-V782 PolarHBondContact O-N 3.26Å; V782-R784 PolarHBondContact O-N 2.88Å; V782-K785 WeakPolarHBondContact O-CB 3.19Å; V782-K785 PolarHBondContact O-N 3.18Å; V782-L786 HydrophobicContact CG1-CD1 4.43Å; V782-L786 PolarHBondContact O-N 3Å; V782-A824 HydrophobicContact CG1-CB 3.64Å; V782-W825 HydrophobicContact CG1-CB 4.49Å; V782-W825 HydrophobicContact CG2-CB 4.42Å; V782-E828 HydrophobicContact CG2-CB 3.95Å; V782-E828 HydrophobicContact CG2-CG 4.08Å
783	A	91.2	Very high	90.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-55.4	-47.8	175.1	0	0	0	0	0	112.4	L779 K785 L786 D787 I788 C790 L821	L779-A783 PolarHBondContact O-N 3.2Å; A783-K785 PolarHBondContact O-N 2.89Å; A783-K785 VanDerWaalsContact O-N 3.11Å; A783-L786 PolarHBondContact O-N 3Å; A783-D787 PolarHBondContact O-N 2.83Å; A783-D787 VanDerWaalsContact O-N 3.12Å; A783-I788 PolarHBondContact O-N 3.11Å; A783-C790 HydrophobicContact CB-CB 3.33Å; A783-L821 HydrophobicContact CB-CD1 3.87Å
784	R	90.8	Very high	90.2	Very high	129 Å²	129	53.5 Å²	53.5	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-12.9	175	-74.6	-165.8	-58.8	171.7	7.7	115	D457 H780 V782	D457-R784 IonicContact OD2-CZ 2.75Å; D457-R784 IonicContact OD2-NH1 3.68Å; D457-R784 PolarHBondContact OD2-NH1 3.3Å; D457-R784 IonicContact OD2-NH2 2.96Å; D457-R784 PolarHBondContact OD2-NH2 2.99Å; H780-R784 PolarHBondContact CE1-NE 2.69Å; H780-R784 WeakPolarHBondContact O-CB 3.24Å; H780-R784 VanDerWaalsContact O-CG 3.3Å; H780-R784 WeakPolarHBondContact O-CG 3.45Å; H780-R784 PolarHBondContact O-N 2.91Å; V782-R784 PolarHBondContact O-N 2.88Å
785	K	90.8	Very high	90.2	Very high	114 Å²	114	54.8 Å²	54.8	50%	0.496	27%	0.271	S	S	.	.	H	α-helix	trans	-92.4	-14.3	172.5	-69	-177.5	-169.6	-172.1	0	113.5	R781 V782 A783 E828	R781-K785 WeakPolarHBondContact O-CG 3.25Å; V782-K785 WeakPolarHBondContact O-CB 3.19Å; V782-K785 PolarHBondContact O-N 3.18Å; A783-K785 PolarHBondContact O-N 2.89Å; A783-K785 VanDerWaalsContact O-N 3.11Å; K785-E828 IonicContact NZ-OE1 3.68Å; K785-E828 PolarHBondContact NZ-OE1 3.41Å; K785-E828 IonicContact NZ-OE2 2.66Å; K785-E828 PolarHBondContact NZ-OE2 2.92Å
786	L	90.4	Very high	90.3	Very high	72 Å²	72	51.7 Å²	51.7	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-112.6	1.8	-176.5	-63.3	178.4	0	0	0	112.3	V782 A783 I788 V820 L821 A824	V782-L786 HydrophobicContact CG1-CD1 4.43Å; V782-L786 PolarHBondContact O-N 3Å; A783-L786 PolarHBondContact O-N 3Å; L786-I788 HydrophobicContact CB-CD1 3.68Å; L786-I788 HydrophobicContact CB-CG1 3.9Å; L786-I788 HydrophobicContact CD1-CD1 3.73Å; L786-I788 HydrophobicContact CG-CD1 4.4Å; L786-I788 PolarHBondContact O-N 2.82Å; L786-V820 HydrophobicContact CD1-CG1 4.37Å; L786-L821 HydrophobicContact CD1-CD1 4.46Å; L786-A824 HydrophobicContact CD1-CB 3.53Å
787	D	90.4	Very high	90.5	Very high	156 Å²	156	53.2 Å²	53.2	83%	0.834	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	30.2	-172.8	-60	-37.4	0	0	0	114.2	A783	A783-D787 PolarHBondContact O-N 2.83Å; A783-D787 VanDerWaalsContact O-N 3.12Å
788	I	91.7	Very high	90.7	Very high	18 Å²	18	53.2 Å²	53.2	9%	0.092	26%	0.26	C	S	.	.			trans	-87.4	134	175.9	-65.7	166.5	0	0	0	109.8	A783 L786 C790 V813 F817 V820 L821	A783-I788 PolarHBondContact O-N 3.11Å; L786-I788 HydrophobicContact CB-CD1 3.68Å; L786-I788 HydrophobicContact CB-CG1 3.9Å; L786-I788 HydrophobicContact CD1-CD1 3.73Å; L786-I788 HydrophobicContact CG-CD1 4.4Å; L786-I788 PolarHBondContact O-N 2.82Å; I788-C790 PolarHBondContact O-N 3.45Å; I788-V813 HydrophobicContact CG2-CG1 3.87Å; I788-F817 HydrophobicContact CD1-CB 4.2Å; I788-F817 HydrophobicContact CD1-CD1 4.24Å; I788-F817 HydrophobicContact CD1-CG 4.37Å; I788-F817 HydrophobicContact CG1-CB 4.48Å; I788-F817 HydrophobicContact CG1-CD1 4.12Å; I788-F817 HydrophobicContact CG1-CG 4.21Å; I788-F817 HydrophobicContact CG2-CB 3.74Å; I788-F817 HydrophobicContact CG2-CD2 3.85Å; I788-F817 HydrophobicContact CG2-CG 3.81Å; I788-V820 HydrophobicContact CD1-CG1 4.2Å; I788-L821 HydrophobicContact CB-CD1 4.36Å; I788-L821 HydrophobicContact CD1-CD1 3.94Å; I788-L821 HydrophobicContact CG2-CD1 4.26Å
789	D	91.9	Very high	90.9	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.144	27%	0.266	C	S	.	.			trans	-69.4	123.5	175.7	-168.1	22.4	0	0	0	111.6	K750 V751 R753	K750-D789 WeakPolarHBondContact CA-OD2 3.36Å; V751-D789 PolarHBondContact N-OD2 2.82Å; R753-D789 IonicContact CZ-OD1 3.5Å; R753-D789 IonicContact NE-OD1 2.74Å; R753-D789 IonicContact NH2-OD1 3.58Å; R753-D789 PolarHBondContact NH2-OD1 3.32Å; R753-D789 IonicContact NH2-OD2 3.97Å
790	C	90.9	Very high	90.7	Very high	13 Å²	13	60.3 Å²	60.3	9%	0.088	29%	0.288	C	S	.	.			trans	-146.2	108.8	-171.3	176.4	0	0	0	0	109.6	A783 I788 Y811 V813	A783-C790 HydrophobicContact CB-CB 3.33Å; I788-C790 PolarHBondContact O-N 3.45Å; C790-Y811 VanDerWaalsContact SG-CB 3.6Å; C790-V813 HydrophobicContact CB-CG2 4.04Å
791	V	92.5	Very high	90.2	Very high	6 Å²	6	61 Å²	61	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	145.3	-169	-175.4	0	0	0	0	110.5	V751 R753 G757 V759 Y811 I812	V751-V791 HydrophobicContact CB-CB 4.48Å; V751-V791 HydrophobicContact CB-CG2 3.9Å; V751-V791 HydrophobicContact CG1-CB 4.35Å; V751-V791 HydrophobicContact CG1-CG2 4.25Å; V751-V791 HydrophobicContact CG2-CG2 4.45Å; R753-V791 HydrophobicContact CG-CG1 4.45Å; R753-V791 HydrophobicContact CG-CG2 4.16Å; G757-V791 WeakPolarHBondContact O-CG1 3.18Å; V759-V791 HydrophobicContact CG2-CB 4.23Å; V759-V791 HydrophobicContact CG2-CG1 3.82Å; V791-Y811 CarbonylContact O-C 3.52Å; V791-Y811 VanDerWaalsContact O-CA 3.27Å; V791-Y811 WeakPolarHBondContact O-CA 3.38Å; V791-I812 PolarHBondContact N-O 3.22Å; V791-I812 PolarHBondContact O-N 3.49Å
792	Q	92.7	Very high	89.8	Confident	70 Å²	70	58.6 Å²	58.6	33%	0.327	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.9	178	-72.2	175.3	63.2	0	0	111.3	V759 T808 Y811	V759-Q792 PolarHBondContact N-O 3.3Å; Q792-T808 HydrophobicContact CB-CG2 4.15Å; Q792-Y811 HydrophobicContact CG-CD1 3.78Å; Q792-Y811 HydrophobicContact CG-CE1 3.43Å; Q792-Y811 VanDerWaalsContact CG-CE1 3.43Å
793	A	93.3	Very high	89.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.1	172.1	0	0	0	0	0	109.9	L761 T808 D809 G810 I812	L761-A793 HydrophobicContact CB-CB 4.16Å; L761-A793 HydrophobicContact CD2-CB 4.05Å; A793-T808 VanDerWaalsContact O-CA 3.24Å; A793-T808 WeakPolarHBondContact O-CA 3.47Å; A793-D809 PolarHBondContact O-N 3.31Å; A793-D809 VanDerWaalsContact O-N 3.08Å; A793-G810 PolarHBondContact N-O 3.2Å; A793-I812 HydrophobicContact CB-CD1 4.11Å; A793-I812 HydrophobicContact CB-CG1 3.87Å
794	I	93.6	Very high	89.1	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.041	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.9	169.9	-60.8	174.2	0	0	0	107.9	N758 V759 Y760 L761 G796 F797 P806 V807 T808	N758-I794 HydrophobicContact CB-CD1 3.67Å; N758-I794 HydrophobicContact CB-CG1 4.11Å; V759-I794 PolarHBondContact O-N 3.36Å; Y760-I794 HydrophobicContact CD1-CB 4.13Å; Y760-I794 HydrophobicContact CD1-CD1 4.46Å; Y760-I794 HydrophobicContact CD1-CG2 4.24Å; Y760-I794 HydrophobicContact CE1-CD1 4.19Å; Y760-I794 HydrophobicContact CE1-CG2 4.43Å; L761-I794 PolarHBondContact N-O 2.89Å; I794-G796 WeakPolarHBondContact CG2-O 3.23Å; I794-F797 HydrophobicContact CG2-CE2 4.31Å; I794-F797 HydrophobicContact CG2-CZ 4.25Å; I794-P806 HydrophobicContact CD1-CB 4.07Å; I794-P806 HydrophobicContact CG1-CB 4.23Å; I794-P806 HydrophobicContact CG2-CB 3.99Å; I794-V807 WeakPolarHBondContact CA-O 3.29Å; I794-T808 HydrophobicContact CG1-CG2 4.15Å
795	T	91.8	Very high	89	Confident	45 Å²	45	66.8 Å²	66.8	28%	0.276	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-16.5	179.8	54.1	0	0	0	0	113.2	V807 D809	T795-V807 PolarHBondContact N-O 2.99Å; T795-D809 HydrophobicContact CG2-CB 3.81Å
796	G	92.1	Very high	89.1	Confident	20 Å²	20	64.7 Å²	64.7	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	-169	-179.2	0	0	0	0	0	113.7	I794 V807	I794-G796 WeakPolarHBondContact CG2-O 3.23Å; G796-V807 PolarHBondContact O-N 3.44Å
797	F	91.5	Very high	89.2	Confident	71 Å²	71	64.1 Å²	64.1	31%	0.311	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.9	175.5	-68.5	-92.1	0	0	0	109.9	Y760 F762 I794 F799 H805 P806	Y760-F797 HydrophobicContact CE1-CZ 4.2Å; F762-F797 HydrophobicContact CE1-CD2 4.43Å; F762-F797 HydrophobicContact CE1-CE2 4.02Å; F762-F797 HydrophobicContact CZ-CE2 4.08Å; I794-F797 HydrophobicContact CG2-CE2 4.31Å; I794-F797 HydrophobicContact CG2-CZ 4.25Å; F797-F799 HydrophobicContact CB-CE2 4.23Å; F797-F799 HydrophobicContact CB-CZ 4.31Å; F797-H805 CarbonylContact C-O 3.5Å; F797-H805 VanDerWaalsContact CA-O 3.28Å; F797-H805 WeakPolarHBondContact CA-O 3.27Å; F797-P806 HydrophobicContact CD1-CB 4.22Å; F797-P806 HydrophobicContact CE1-CB 4.01Å
798	D	91.9	Very high	89.3	Confident	81 Å²	81	59.9 Å²	59.9	43%	0.433	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	151.1	172.8	-166.9	-9.1	0	0	0	109.7	H800 S804 H805 V807	D798-H800 IonicContact OD2-CD2 3.32Å; D798-H800 PolarHBondContact OD2-CD2 3.33Å; D798-H800 VanDerWaalsContact OD2-CD2 3.24Å; D798-S804 CarbonylContact O-C 3.05Å; D798-S804 WeakPolarHBondContact O-CA 3.34Å; D798-H805 PolarHBondContact N-O 2.9Å; D798-H805 PolarHBondContact O-N 2.8Å; D798-V807 HydrophobicContact CB-CG2 3.94Å
799	F	85.8	Confident	89.1	Confident	147 Å²	147	62.8 Å²	62.8	65%	0.645	36%	0.361	S	S	*	.			trans	-121.2	40.6	-173.1	-66.5	-85.8	0	0	0	112.6	F797 Y803 S804	F797-F799 HydrophobicContact CB-CE2 4.23Å; F797-F799 HydrophobicContact CB-CZ 4.31Å; F799-Y803 CarbonylContact C-O 3.55Å; F799-Y803 WeakPolarHBondContact CA-O 3.39Å; F799-S804 VanDerWaalsContact CE1-OG 3.28Å; F799-S804 WeakPolarHBondContact CE1-OG 3.22Å
800	H	84.8	Confident	89.1	Confident	100 Å²	100	62.2 Å²	62.2	46%	0.463	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-84.5	151	176.4	64.3	42.3	0	0	0	113.4	D798 G802 Y803 H805	D798-H800 IonicContact OD2-CD2 3.32Å; D798-H800 PolarHBondContact OD2-CD2 3.33Å; D798-H800 VanDerWaalsContact OD2-CD2 3.24Å; H800-G802 PolarHBondContact O-N 3.09Å; H800-Y803 PolarHBondContact O-N 2.83Å; H800-H805 AromaticContact CE1-CD2 3.2Å; H800-H805 PolarHBondContact CE1-CD2 3.41Å; H800-H805 AromaticContact CE1-CE1 4Å; H800-H805 AromaticContact CE1-CG 3.55Å; H800-H805 AromaticContact CE1-NE2 3.52Å; H800-H805 AromaticContact ND1-CD2 3.29Å; H800-H805 PolarHBondContact ND1-CD2 2.87Å; H800-H805 VanDerWaalsContact ND1-CD2 3.29Å; H800-H805 AromaticContact ND1-NE2 3.55Å
801	G	77.5	Confident	89.1	Confident	75 Å²	75	63.6 Å²	63.6	77%	0.773	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	70.2	11.3	174.5	0	0	0	0	0	115.7	Y803	G801-Y803 WeakPolarHBondContact O-CD2 3.46Å
802	G	79.4	Confident	89.2	Confident	71 Å²	71	63.3 Å²	63.3	73%	0.732	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	83.9	6.8	179.8	0	0	0	0	0	115	H800	H800-G802 PolarHBondContact O-N 3.09Å
803	Y	80.7	Confident	89.2	Confident	171 Å²	171	60 Å²	60	67%	0.671	35%	0.348	S	S	*	.	S	Bend	trans	-126.2	163.9	175.6	-63.6	-82.8	0	0	0	110.1	F799 H800 G801	F799-Y803 CarbonylContact C-O 3.55Å; F799-Y803 WeakPolarHBondContact CA-O 3.39Å; H800-Y803 PolarHBondContact O-N 2.83Å; G801-Y803 WeakPolarHBondContact O-CD2 3.46Å
804	S	86.8	Confident	89.3	Confident	60 Å²	60	60.2 Å²	60.2	42%	0.42	35%	0.349	S	S	.	.			trans	-99	131.8	174	-172.8	0	0	0	0	109.2	D798 F799	D798-S804 CarbonylContact O-C 3.05Å; D798-S804 WeakPolarHBondContact O-CA 3.34Å; F799-S804 VanDerWaalsContact CE1-OG 3.28Å; F799-S804 WeakPolarHBondContact CE1-OG 3.22Å
805	H	89.4	Confident	89.2	Confident	77 Å²	77	65.4 Å²	65.4	36%	0.356	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.2	-177.2	-66	-91.1	0	0	0	109.2	F797 D798 H800 V807	F797-H805 CarbonylContact C-O 3.5Å; F797-H805 VanDerWaalsContact CA-O 3.28Å; F797-H805 WeakPolarHBondContact CA-O 3.27Å; D798-H805 PolarHBondContact N-O 2.9Å; D798-H805 PolarHBondContact O-N 2.8Å; H800-H805 AromaticContact CE1-CD2 3.2Å; H800-H805 PolarHBondContact CE1-CD2 3.41Å; H800-H805 AromaticContact CE1-CE1 4Å; H800-H805 AromaticContact CE1-CG 3.55Å; H800-H805 AromaticContact CE1-NE2 3.52Å; H800-H805 AromaticContact ND1-CD2 3.29Å; H800-H805 PolarHBondContact ND1-CD2 2.87Å; H800-H805 VanDerWaalsContact ND1-CD2 3.29Å; H800-H805 AromaticContact ND1-NE2 3.55Å; H805-V807 PolarHBondContact O-N 3.47Å
806	P	92.2	Very high	89.3	Confident	70 Å²	70	70.7 Å²	70.7	46%	0.455	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.1	176.7	28.1	-33.1	0	0	0	110	I794 F797	I794-P806 HydrophobicContact CD1-CB 4.07Å; I794-P806 HydrophobicContact CG1-CB 4.23Å; I794-P806 HydrophobicContact CG2-CB 3.99Å; F797-P806 HydrophobicContact CD1-CB 4.22Å; F797-P806 HydrophobicContact CE1-CB 4.01Å
807	V	92.5	Very high	89.3	Confident	61 Å²	61	72.9 Å²	72.9	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.1	170.9	-179.6	0	0	0	0	107.2	I794 T795 G796 D798 H805	I794-V807 WeakPolarHBondContact CA-O 3.29Å; T795-V807 PolarHBondContact N-O 2.99Å; G796-V807 PolarHBondContact O-N 3.44Å; D798-V807 HydrophobicContact CB-CG2 3.94Å; H805-V807 PolarHBondContact O-N 3.47Å
808	T	91.6	Very high	89.3	Confident	67 Å²	67	72.9 Å²	72.9	41%	0.411	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.2	175.7	51	0	0	0	0	110.6	Q792 A793 I794	Q792-T808 HydrophobicContact CB-CG2 4.15Å; A793-T808 VanDerWaalsContact O-CA 3.24Å; A793-T808 WeakPolarHBondContact O-CA 3.47Å; I794-T808 HydrophobicContact CG1-CG2 4.15Å
809	D	88.8	Confident	89.4	Confident	78 Å²	78	74.1 Å²	74.1	42%	0.417	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	98.3	177.2	-172.1	20.1	0	0	0	110.3	Q773 N775 A793 T795	Q773-D809 PolarHBondContact NE2-O 3.05Å; N775-D809 PolarHBondContact ND2-OD1 2.72Å; N775-D809 VanDerWaalsContact ND2-OD1 3.15Å; N775-D809 PolarHBondContact ND2-OD2 3.05Å; A793-D809 PolarHBondContact O-N 3.31Å; A793-D809 VanDerWaalsContact O-N 3.08Å; T795-D809 HydrophobicContact CG2-CB 3.81Å
810	G	90.4	Very high	89.7	Confident	15 Å²	15	70.8 Å²	70.8	16%	0.155	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-172.3	-177.4	0	0	0	0	0	115	L774 N775 A793	L774-G810 WeakPolarHBondContact O-CA 3.46Å; N775-G810 WeakPolarHBondContact OD1-CA 3.3Å; A793-G810 PolarHBondContact N-O 3.2Å
811	Y	92.5	Very high	90.1	Very high	42 Å²	42	66 Å²	66	17%	0.165	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.4	-178	-60.8	-86.3	0	0	0	110.7	Q773 L774 L779 H780 C790 V791 Q792	Q773-Y811 CarbonylContact C-O 3.58Å; Q773-Y811 WeakPolarHBondContact CA-O 3.3Å; L774-Y811 PolarHBondContact N-O 3.29Å; L774-Y811 PolarHBondContact O-N 2.86Å; L779-Y811 HydrophobicContact CB-CD2 3.7Å; L779-Y811 HydrophobicContact CB-CE2 3.9Å; L779-Y811 HydrophobicContact CD2-CD2 4.13Å; L779-Y811 HydrophobicContact CG-CD2 4.48Å; H780-Y811 HydrophobicContact CB-CD1 4.21Å; H780-Y811 HydrophobicContact CB-CE1 3.49Å; H780-Y811 VanDerWaalsContact CB-CE1 3.49Å; C790-Y811 VanDerWaalsContact SG-CB 3.6Å; V791-Y811 CarbonylContact O-C 3.52Å; V791-Y811 VanDerWaalsContact O-CA 3.27Å; V791-Y811 WeakPolarHBondContact O-CA 3.38Å; Q792-Y811 HydrophobicContact CG-CD1 3.78Å; Q792-Y811 HydrophobicContact CG-CE1 3.43Å; Q792-Y811 VanDerWaalsContact CG-CE1 3.43Å
812	I	93.6	Very high	90.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.4	172.9	-51.3	-165.9	0	0	0	108.4	V751 V759 L761 C771 V791 A793	V751-I812 HydrophobicContact CG1-CB 4.22Å; V751-I812 HydrophobicContact CG1-CG2 3.81Å; V751-I812 HydrophobicContact CG2-CG2 4.49Å; V759-I812 HydrophobicContact CB-CD1 3.69Å; V759-I812 HydrophobicContact CG1-CD1 3.69Å; V759-I812 HydrophobicContact CG2-CD1 4.11Å; L761-I812 HydrophobicContact CB-CD1 4.43Å; L761-I812 HydrophobicContact CD1-CD1 4.14Å; L761-I812 HydrophobicContact CD2-CD1 4.26Å; C771-I812 HydrophobicContact CB-CG2 3.51Å; V791-I812 PolarHBondContact N-O 3.22Å; V791-I812 PolarHBondContact O-N 3.49Å; A793-I812 HydrophobicContact CB-CD1 4.11Å; A793-I812 HydrophobicContact CB-CG1 3.87Å
813	V	93.3	Very high	91.4	Very high	2 Å²	2	65 Å²	65	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.2	-179.5	-175.4	0	0	0	0	107.8	C771 V772 I788 C790 F817 L821	C771-V813 CarbonylContact C-O 3.52Å; C771-V813 WeakPolarHBondContact CA-O 3.27Å; V772-V813 PolarHBondContact N-O 2.83Å; V772-V813 PolarHBondContact O-N 3.28Å; V772-V813 VanDerWaalsContact O-N 3.16Å; I788-V813 HydrophobicContact CG2-CG1 3.87Å; C790-V813 HydrophobicContact CB-CG2 4.04Å; V813-F817 HydrophobicContact CG1-CB 3.94Å; V813-L821 HydrophobicContact CB-CD2 4.48Å; V813-L821 HydrophobicContact CG1-CD2 4.29Å; V813-L821 HydrophobicContact CG2-CD2 3.8Å
814	C	94.1	Very high	92	Very high	4 Å²	4	58 Å²	58	3%	0.027	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.1	173.6	-58.5	0	0	0	0	111.1	G749 G770 E816 F817	G749-C814 PolarHBondContact O-SG 3.44Å; G770-C814 CarbonylContact O-C 3.41Å; G770-C814 WeakPolarHBondContact O-CA 3.32Å; C814-E816 PolarHBondContact O-N 2.66Å; C814-F817 HydrophobicContact CB-CD2 4.17Å; C814-F817 PolarHBondContact O-N 2.8Å; C814-F817 VanDerWaalsContact O-N 3.07Å
815	E	93.4	Very high	92.3	Very high	117 Å²	117	57.4 Å²	57.4	55%	0.547	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-57.2	-37.1	-174	-174.5	166.2	-157.3	0	0	112.3	G770 V772 F817 K818	G770-E815 PolarHBondContact O-N 3.09Å; V772-E815 HydrophobicContact CG2-CB 4.01Å; V772-E815 HydrophobicContact CG2-CG 3.98Å; E815-F817 PolarHBondContact O-N 3.31Å; E815-F817 VanDerWaalsContact O-N 3.17Å; E815-K818 WeakPolarHBondContact O-CB 3.36Å; E815-K818 PolarHBondContact O-N 2.99Å; E815-K818 VanDerWaalsContact O-N 3.11Å
816	E	92.3	Very high	92.4	Very high	156 Å²	156	59.5 Å²	59.5	73%	0.729	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-53.1	-34	176.6	-58.7	177	166.7	0	0	113.9	C814	C814-E816 PolarHBondContact O-N 2.66Å
817	F	92.5	Very high	92.4	Very high	65 Å²	65	60.7 Å²	60.7	29%	0.285	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-96	-6.3	-176.6	-63.6	-57.2	0	0	0	114	I788 V813 C814 E815 D819 V820 L821	I788-F817 HydrophobicContact CD1-CB 4.2Å; I788-F817 HydrophobicContact CD1-CD1 4.24Å; I788-F817 HydrophobicContact CD1-CG 4.37Å; I788-F817 HydrophobicContact CG1-CB 4.48Å; I788-F817 HydrophobicContact CG1-CD1 4.12Å; I788-F817 HydrophobicContact CG1-CG 4.21Å; I788-F817 HydrophobicContact CG2-CB 3.74Å; I788-F817 HydrophobicContact CG2-CD2 3.85Å; I788-F817 HydrophobicContact CG2-CG 3.81Å; V813-F817 HydrophobicContact CG1-CB 3.94Å; C814-F817 HydrophobicContact CB-CD2 4.17Å; C814-F817 PolarHBondContact O-N 2.8Å; C814-F817 VanDerWaalsContact O-N 3.07Å; E815-F817 PolarHBondContact O-N 3.31Å; E815-F817 VanDerWaalsContact O-N 3.17Å; F817-D819 PolarHBondContact O-N 3.42Å; F817-V820 PolarHBondContact O-N 2.75Å; F817-L821 VanDerWaalsContact O-CB 3.26Å; F817-L821 WeakPolarHBondContact O-CB 3.44Å; F817-L821 PolarHBondContact O-N 2.96Å
818	K	92.1	Very high	92.3	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-50.9	-53.4	-174.6	178.7	-169.8	173.2	-168	0	112.2	V772 L774 E815 L821 L822	V772-K818 HydrophobicContact CG1-CD 4.37Å; V772-K818 HydrophobicContact CG2-CD 4.43Å; L774-K818 HydrophobicContact CD2-CG 4.48Å; E815-K818 WeakPolarHBondContact O-CB 3.36Å; E815-K818 PolarHBondContact O-N 2.99Å; E815-K818 VanDerWaalsContact O-N 3.11Å; K818-L821 PolarHBondContact O-N 3.11Å; K818-L822 HydrophobicContact CG-CD1 4.01Å; K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 VanDerWaalsContact O-CG 3.26Å; K818-L822 WeakPolarHBondContact O-CG 3.28Å; K818-L822 PolarHBondContact O-N 3.39Å
819	D	93.4	Very high	92.2	Very high	107 Å²	107	57.9 Å²	57.9	57%	0.572	29%	0.294	S	S	*	.	H	α-helix	trans	-73.2	-35	-172.6	-62	-16.8	0	0	0	112.1	F817 T823	F817-D819 PolarHBondContact O-N 3.42Å; D819-T823 WeakPolarHBondContact O-CB 3.28Å; D819-T823 PolarHBondContact O-N 3.21Å; D819-T823 PolarHBondContact O-OG1 3.16Å
820	V	92.9	Very high	92.3	Very high	78 Å²	78	56 Å²	56	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-46.6	172.6	-178	0	0	0	0	110.2	L786 I788 F817 A824	L786-V820 HydrophobicContact CD1-CG1 4.37Å; I788-V820 HydrophobicContact CD1-CG1 4.2Å; F817-V820 PolarHBondContact O-N 2.75Å; V820-A824 WeakPolarHBondContact O-CB 3.48Å; V820-A824 PolarHBondContact O-N 2.76Å
821	L	92	Very high	92.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-39.2	-177.9	-161	84.9	0	0	0	112.2	L774 L779 A783 L786 I788 V813 F817 K818 W825	L774-L821 HydrophobicContact CD1-CD2 3.81Å; L779-L821 HydrophobicContact CD1-CD2 3.7Å; L779-L821 HydrophobicContact CD1-CG 3.89Å; L779-L821 HydrophobicContact CD2-CD2 3.68Å; L779-L821 HydrophobicContact CG-CD2 3.69Å; L779-L821 HydrophobicContact CG-CG 4.32Å; A783-L821 HydrophobicContact CB-CD1 3.87Å; L786-L821 HydrophobicContact CD1-CD1 4.46Å; I788-L821 HydrophobicContact CB-CD1 4.36Å; I788-L821 HydrophobicContact CD1-CD1 3.94Å; I788-L821 HydrophobicContact CG2-CD1 4.26Å; V813-L821 HydrophobicContact CB-CD2 4.48Å; V813-L821 HydrophobicContact CG1-CD2 4.29Å; V813-L821 HydrophobicContact CG2-CD2 3.8Å; F817-L821 VanDerWaalsContact O-CB 3.26Å; F817-L821 WeakPolarHBondContact O-CB 3.44Å; F817-L821 PolarHBondContact O-N 2.96Å; K818-L821 PolarHBondContact O-N 3.11Å; L821-W825 VanDerWaalsContact O-CB 3.24Å; L821-W825 WeakPolarHBondContact O-CB 3.49Å; L821-W825 PolarHBondContact O-N 3.05Å
822	L	92.5	Very high	92.2	Very high	47 Å²	47	57.6 Å²	57.6	25%	0.246	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-52.6	172.7	-75.3	171.6	0	0	0	110.9	L774 L776 K818 A824 W825 E826	L774-L822 HydrophobicContact CD2-CD2 4.47Å; L776-L822 HydrophobicContact CD1-CD2 3.59Å; K818-L822 HydrophobicContact CG-CD1 4.01Å; K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 VanDerWaalsContact O-CG 3.26Å; K818-L822 WeakPolarHBondContact O-CG 3.28Å; K818-L822 PolarHBondContact O-N 3.39Å; L822-A824 VanDerWaalsContact C-N 3.29Å; L822-A824 PolarHBondContact O-N 2.79Å; L822-W825 PolarHBondContact O-N 2.73Å; L822-W825 VanDerWaalsContact O-N 3.08Å; L822-E826 WeakPolarHBondContact O-CG 3.31Å; L822-E826 PolarHBondContact O-N 3.01Å
823	T	92.9	Very high	92.1	Very high	78 Å²	78	62.4 Å²	62.4	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-58.1	-42.2	178.9	-55	0	0	0	0	111.5	D819 N827	D819-T823 WeakPolarHBondContact O-CB 3.28Å; D819-T823 PolarHBondContact O-N 3.21Å; D819-T823 PolarHBondContact O-OG1 3.16Å; T823-N827 PolarHBondContact O-N 3.43Å; T823-N827 VanDerWaalsContact O-N 3.14Å; T823-N827 PolarHBondContact O-ND2 3.44Å
824	A	92.5	Very high	92.1	Very high	23 Å²	23	69 Å²	69	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-33.9	177.2	0	0	0	0	0	113.1	V782 L786 V820 L822 N827 E828	V782-A824 HydrophobicContact CG1-CB 3.64Å; L786-A824 HydrophobicContact CD1-CB 3.53Å; V820-A824 WeakPolarHBondContact O-CB 3.48Å; V820-A824 PolarHBondContact O-N 2.76Å; L822-A824 VanDerWaalsContact C-N 3.29Å; L822-A824 PolarHBondContact O-N 2.79Å; A824-N827 PolarHBondContact O-N 3.05Å; A824-E828 WeakPolarHBondContact O-CB 3.49Å; A824-E828 PolarHBondContact O-N 3.16Å
825	W	92.7	Very high	92	Very high	47 Å²	47	74 Å²	74	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-45.1	175.4	179.5	90.9	0	0	0	111.2	L776 P777 L779 V782 L821 L822 N827 E828 Q829	L776-W825 HydrophobicContact CB-CD2 4.46Å; L776-W825 HydrophobicContact CB-CZ2 4.31Å; L776-W825 HydrophobicContact CD1-CD2 4.04Å; L776-W825 HydrophobicContact CD1-CE3 4.27Å; L776-W825 HydrophobicContact CD1-CG 4.25Å; L776-W825 HydrophobicContact CD2-CH2 4.11Å; L776-W825 HydrophobicContact CD2-CZ2 4.13Å; L776-W825 HydrophobicContact CD2-CZ3 4.34Å; P777-W825 HydrophobicContact CG-CZ2 4.01Å; P777-W825 PolarHBondContact O-NE1 2.96Å; L779-W825 HydrophobicContact CD1-CB 3.91Å; L779-W825 HydrophobicContact CD1-CG 3.94Å; V782-W825 HydrophobicContact CG1-CB 4.49Å; V782-W825 HydrophobicContact CG2-CB 4.42Å; L821-W825 VanDerWaalsContact O-CB 3.24Å; L821-W825 WeakPolarHBondContact O-CB 3.49Å; L821-W825 PolarHBondContact O-N 3.05Å; L822-W825 PolarHBondContact O-N 2.73Å; L822-W825 VanDerWaalsContact O-N 3.08Å; W825-N827 VanDerWaalsContact C-N 3.3Å; W825-N827 PolarHBondContact O-N 2.84Å; W825-E828 PolarHBondContact O-N 3.05Å; W825-E828 VanDerWaalsContact O-N 3.16Å; W825-Q829 HydrophobicContact CD2-CG 3.77Å; W825-Q829 VanDerWaalsContact CE2-NE2 3.32Å; W825-Q829 HydrophobicContact CE3-CG 3.97Å; W825-Q829 HydrophobicContact CG-CG 4.47Å; W825-Q829 HydrophobicContact CH2-CG 3.72Å; W825-Q829 HydrophobicContact CZ2-CG 3.5Å; W825-Q829 HydrophobicContact CZ3-CG 3.95Å; W825-Q829 VanDerWaalsContact NE1-NE2 3.13Å; W825-Q829 WeakPolarHBondContact O-CG 3.43Å; W825-Q829 PolarHBondContact O-N 3.48Å
826	E	92.9	Very high	91.9	Very high	121 Å²	121	72.7 Å²	72.7	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-57.9	-43.4	174.2	-71	178.8	177.3	0	0	111.7	L822 Q829 A830	L822-E826 WeakPolarHBondContact O-CG 3.31Å; L822-E826 PolarHBondContact O-N 3.01Å; E826-Q829 PolarHBondContact O-N 3.06Å; E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 3.26Å
827	N	91.8	Very high	91.9	Very high	95 Å²	95	70.2 Å²	70.2	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-44.5	174.3	-80.4	-57.3	0	0	0	112.6	T823 A824 W825 A830 V831	T823-N827 PolarHBondContact O-N 3.43Å; T823-N827 VanDerWaalsContact O-N 3.14Å; T823-N827 PolarHBondContact O-ND2 3.44Å; A824-N827 PolarHBondContact O-N 3.05Å; W825-N827 VanDerWaalsContact C-N 3.3Å; W825-N827 PolarHBondContact O-N 2.84Å; N827-A830 PolarHBondContact O-N 2.83Å; N827-V831 WeakPolarHBondContact O-CG2 3.45Å; N827-V831 PolarHBondContact O-N 3.08Å
828	E	89.7	Confident	92	Very high	30 Å²	30	71.1 Å²	71.1	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-42.1	176.5	-171.1	72.7	-173.3	0	0	111.2	V782 K785 A824 W825 V831 I832	V782-E828 HydrophobicContact CG2-CB 3.95Å; V782-E828 HydrophobicContact CG2-CG 4.08Å; K785-E828 IonicContact NZ-OE1 3.68Å; K785-E828 PolarHBondContact NZ-OE1 3.41Å; K785-E828 IonicContact NZ-OE2 2.66Å; K785-E828 PolarHBondContact NZ-OE2 2.92Å; A824-E828 WeakPolarHBondContact O-CB 3.49Å; A824-E828 PolarHBondContact O-N 3.16Å; W825-E828 PolarHBondContact O-N 3.05Å; W825-E828 VanDerWaalsContact O-N 3.16Å; E828-V831 CarbonylContact O-C 3.52Å; E828-V831 WeakPolarHBondContact O-CB 3.45Å; E828-V831 PolarHBondContact O-N 3.33Å; E828-V831 VanDerWaalsContact O-N 3.14Å; E828-I832 HydrophobicContact CG-CD1 3.93Å; E828-I832 HydrophobicContact CG-CG1 4.44Å; E828-I832 VanDerWaalsContact O-CG1 3.29Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 2.68Å
829	Q	90.1	Very high	92	Very high	40 Å²	40	73.6 Å²	73.6	19%	0.187	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-45	174.4	-67	-52.8	-30.9	0	0	111.4	W825 E826 V831 I832 E833	W825-Q829 HydrophobicContact CD2-CG 3.77Å; W825-Q829 VanDerWaalsContact CE2-NE2 3.32Å; W825-Q829 HydrophobicContact CE3-CG 3.97Å; W825-Q829 HydrophobicContact CG-CG 4.47Å; W825-Q829 HydrophobicContact CH2-CG 3.72Å; W825-Q829 HydrophobicContact CZ2-CG 3.5Å; W825-Q829 HydrophobicContact CZ3-CG 3.95Å; W825-Q829 VanDerWaalsContact NE1-NE2 3.13Å; W825-Q829 WeakPolarHBondContact O-CG 3.43Å; W825-Q829 PolarHBondContact O-N 3.48Å; E826-Q829 PolarHBondContact O-N 3.06Å; Q829-V831 PolarHBondContact O-N 2.89Å; Q829-I832 PolarHBondContact O-N 2.87Å; Q829-I832 VanDerWaalsContact O-N 3.11Å; Q829-E833 WeakPolarHBondContact O-CB 3.27Å; Q829-E833 PolarHBondContact O-N 2.85Å
830	A	91.1	Very high	91.9	Very high	38 Å²	38	74.2 Å²	74.2	31%	0.314	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-29.8	175.4	0	0	0	0	0	112.5	E826 N827 R834	E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 3.26Å; N827-A830 PolarHBondContact O-N 2.83Å; A830-R834 WeakPolarHBondContact O-CB 3.34Å; A830-R834 WeakPolarHBondContact O-CG 3.36Å; A830-R834 PolarHBondContact O-N 2.64Å; A830-R834 PolarHBondContact O-NE 3.22Å
831	V	91.2	Very high	92	Very high	44 Å²	44	76 Å²	76	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-77.7	-39.5	173.1	168.3	0	0	0	0	111.8	N827 E828 Q829 R834 K835	N827-V831 WeakPolarHBondContact O-CG2 3.45Å; N827-V831 PolarHBondContact O-N 3.08Å; E828-V831 CarbonylContact O-C 3.52Å; E828-V831 WeakPolarHBondContact O-CB 3.45Å; E828-V831 PolarHBondContact O-N 3.33Å; E828-V831 VanDerWaalsContact O-N 3.14Å; Q829-V831 PolarHBondContact O-N 2.89Å; V831-R834 PolarHBondContact O-N 3.31Å; V831-K835 HydrophobicContact CG1-CD 3.94Å; V831-K835 WeakPolarHBondContact O-CB 3.46Å; V831-K835 VanDerWaalsContact O-CG 3.28Å; V831-K835 WeakPolarHBondContact O-CG 3.41Å; V831-K835 PolarHBondContact O-N 3.06Å
832	I	89.3	Confident	92	Very high	47 Å²	47	82.3 Å²	82.3	24%	0.241	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-49.6	174.3	-71.2	164.2	0	0	0	109.7	E828 Q829 R834 K835 E836	E828-I832 HydrophobicContact CG-CD1 3.93Å; E828-I832 HydrophobicContact CG-CG1 4.44Å; E828-I832 VanDerWaalsContact O-CG1 3.29Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 2.68Å; Q829-I832 PolarHBondContact O-N 2.87Å; Q829-I832 VanDerWaalsContact O-N 3.11Å; I832-R834 PolarHBondContact O-N 2.84Å; I832-K835 CarbonylContact O-C 3.59Å; I832-K835 PolarHBondContact O-N 2.84Å; I832-E836 WeakPolarHBondContact O-CB 3.46Å; I832-E836 PolarHBondContact O-N 3.48Å
833	E	91.1	Very high	92.1	Very high	101 Å²	101	88.2 Å²	88.2	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-58	-44	175.3	-81.1	-161.8	-162.4	0	0	112.7	Q829 E836 K837	Q829-E833 WeakPolarHBondContact O-CB 3.27Å; Q829-E833 PolarHBondContact O-N 2.85Å; E833-E836 PolarHBondContact O-N 3.01Å; E833-K837 WeakPolarHBondContact O-CB 3.25Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.48Å; E833-K837 PolarHBondContact O-N 3.09Å; E833-K837 IonicContact OE2-NZ 2.75Å; E833-K837 PolarHBondContact OE2-NZ 2.84Å
834	R	93	Very high	92.1	Very high	139 Å²	139	86.4 Å²	86.4	53%	0.525	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-47.9	175.1	-85.6	176.9	-83.4	170	-10.7	111.1	A830 V831 I832 E836 K837 E838	A830-R834 WeakPolarHBondContact O-CB 3.34Å; A830-R834 WeakPolarHBondContact O-CG 3.36Å; A830-R834 PolarHBondContact O-N 2.64Å; A830-R834 PolarHBondContact O-NE 3.22Å; V831-R834 PolarHBondContact O-N 3.31Å; I832-R834 PolarHBondContact O-N 2.84Å; R834-E836 VanDerWaalsContact C-N 3.27Å; R834-E836 PolarHBondContact O-N 3.01Å; R834-K837 PolarHBondContact O-N 3.11Å; R834-E838 WeakPolarHBondContact O-CB 3.13Å; R834-E838 WeakPolarHBondContact O-CG 3.47Å; R834-E838 PolarHBondContact O-N 3Å
835	K	92.9	Very high	92.1	Very high	111 Å²	111	91 Å²	91	48%	0.483	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-33.4	175.2	-73.5	168.9	-179.4	169.9	0	112.3	V831 I832 K839	V831-K835 HydrophobicContact CG1-CD 3.94Å; V831-K835 WeakPolarHBondContact O-CB 3.46Å; V831-K835 VanDerWaalsContact O-CG 3.28Å; V831-K835 WeakPolarHBondContact O-CG 3.41Å; V831-K835 PolarHBondContact O-N 3.06Å; I832-K835 CarbonylContact O-C 3.59Å; I832-K835 PolarHBondContact O-N 2.84Å; K835-K839 VanDerWaalsContact O-CB 3.29Å; K835-K839 WeakPolarHBondContact O-CB 3.23Å; K835-K839 WeakPolarHBondContact O-CD 3.42Å; K835-K839 WeakPolarHBondContact O-CG 3.47Å; K835-K839 PolarHBondContact O-N 3.25Å
836	E	91.6	Very high	92.2	Very high	88 Å²	88	90.6 Å²	90.6	41%	0.411	44%	0.435	S	S	.	.	H	α-helix	trans	-71.1	-45.1	173.3	-83.9	-156.3	-170.1	0	0	113.1	I832 E833 R834 K839 K840	I832-E836 WeakPolarHBondContact O-CB 3.46Å; I832-E836 PolarHBondContact O-N 3.48Å; E833-E836 PolarHBondContact O-N 3.01Å; R834-E836 VanDerWaalsContact C-N 3.27Å; R834-E836 PolarHBondContact O-N 3.01Å; E836-K839 CarbonylContact O-C 3.57Å; E836-K839 PolarHBondContact O-N 2.87Å; E836-K840 WeakPolarHBondContact O-CB 3.25Å; E836-K840 WeakPolarHBondContact O-CD 3.44Å; E836-K840 VanDerWaalsContact O-CG 3.23Å; E836-K840 WeakPolarHBondContact O-CG 3.38Å; E836-K840 PolarHBondContact O-N 3.27Å; E836-K840 IonicContact OE2-NZ 3.91Å; E836-K840 PolarHBondContact OE2-NZ 3.47Å
837	K	92.6	Very high	92.2	Very high	104 Å²	104	90.1 Å²	90.1	45%	0.452	44%	0.436	S	S	.	.	H	α-helix	trans	-59	-48.9	175.1	-73	163.5	-170.7	162.8	0	109.2	E833 R834 K839 K840 E841	E833-K837 WeakPolarHBondContact O-CB 3.25Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.48Å; E833-K837 PolarHBondContact O-N 3.09Å; E833-K837 IonicContact OE2-NZ 2.75Å; E833-K837 PolarHBondContact OE2-NZ 2.84Å; R834-K837 PolarHBondContact O-N 3.11Å; K837-K839 PolarHBondContact O-N 2.74Å; K837-K840 CarbonylContact O-C 3.5Å; K837-K840 WeakPolarHBondContact O-CB 3.36Å; K837-K840 PolarHBondContact O-N 3.05Å; K837-K840 VanDerWaalsContact O-N 3.13Å; K837-E841 WeakPolarHBondContact O-CB 3.33Å; K837-E841 WeakPolarHBondContact O-CG 3.32Å; K837-E841 PolarHBondContact O-N 2.89Å
838	E	93.1	Very high	92.3	Very high	84 Å²	84	93.7 Å²	93.7	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-43.6	171	-77	-176.1	-131.7	0	0	113.5	R834 K840 E841 K842	R834-E838 WeakPolarHBondContact O-CB 3.13Å; R834-E838 WeakPolarHBondContact O-CG 3.47Å; R834-E838 PolarHBondContact O-N 3Å; E838-K840 VanDerWaalsContact C-N 3.34Å; E838-E841 PolarHBondContact O-N 2.83Å; E838-K842 WeakPolarHBondContact O-CB 3.49Å; E838-K842 WeakPolarHBondContact O-CD 3.36Å; E838-K842 WeakPolarHBondContact O-CG 3.23Å; E838-K842 PolarHBondContact O-N 3.35Å; E838-K842 IonicContact OE2-NZ 3.58Å; E838-K842 PolarHBondContact OE2-NZ 2.65Å
839	K	93.2	Very high	92.4	Very high	124 Å²	124	99 Å²	99	54%	0.539	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176.4	-79.7	167.1	-177.6	178.7	0	111.1	K835 E836 K837 R843	K835-K839 VanDerWaalsContact O-CB 3.29Å; K835-K839 WeakPolarHBondContact O-CB 3.23Å; K835-K839 WeakPolarHBondContact O-CD 3.42Å; K835-K839 WeakPolarHBondContact O-CG 3.47Å; K835-K839 PolarHBondContact O-N 3.25Å; E836-K839 CarbonylContact O-C 3.57Å; E836-K839 PolarHBondContact O-N 2.87Å; K837-K839 PolarHBondContact O-N 2.74Å; K839-R843 WeakPolarHBondContact O-CB 3.49Å; K839-R843 WeakPolarHBondContact O-CD 3.5Å; K839-R843 WeakPolarHBondContact O-CG 3.24Å; K839-R843 PolarHBondContact O-N 3.04Å
840	K	91.8	Very high	92.5	Very high	119 Å²	119	103 Å²	103	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-44	176.7	-74.2	159.2	176.3	158.7	0	110.5	E836 K837 E838 R843 A844	E836-K840 WeakPolarHBondContact O-CB 3.25Å; E836-K840 WeakPolarHBondContact O-CD 3.44Å; E836-K840 VanDerWaalsContact O-CG 3.23Å; E836-K840 WeakPolarHBondContact O-CG 3.38Å; E836-K840 PolarHBondContact O-N 3.27Å; E836-K840 IonicContact OE2-NZ 3.91Å; E836-K840 PolarHBondContact OE2-NZ 3.47Å; K837-K840 CarbonylContact O-C 3.5Å; K837-K840 WeakPolarHBondContact O-CB 3.36Å; K837-K840 PolarHBondContact O-N 3.05Å; K837-K840 VanDerWaalsContact O-N 3.13Å; E838-K840 VanDerWaalsContact C-N 3.34Å; K840-R843 PolarHBondContact O-N 2.94Å; K840-A844 WeakPolarHBondContact O-CB 3.49Å; K840-A844 PolarHBondContact O-N 3.29Å
841	E	93.2	Very high	92.5	Very high	117 Å²	117	105.6 Å²	105.6	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-47.8	174.6	-74	168.2	-166.4	0	0	112.4	K837 E838 R843 A844 L845	K837-E841 WeakPolarHBondContact O-CB 3.33Å; K837-E841 WeakPolarHBondContact O-CG 3.32Å; K837-E841 PolarHBondContact O-N 2.89Å; E838-E841 PolarHBondContact O-N 2.83Å; E841-R843 VanDerWaalsContact C-N 3.28Å; E841-R843 PolarHBondContact O-N 3.16Å; E841-A844 CarbonylContact O-C 3.57Å; E841-A844 WeakPolarHBondContact O-CB 3.48Å; E841-A844 PolarHBondContact O-N 2.88Å; E841-L845 WeakPolarHBondContact O-CB 3.37Å; E841-L845 WeakPolarHBondContact O-CG 3.34Å; E841-L845 PolarHBondContact O-N 3.45Å
842	K	93.6	Very high	92.7	Very high	132 Å²	132	105.8 Å²	105.8	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-60.3	-37.7	175.5	-73.3	162	-179.4	164	0	111.4	E838 G846	E838-K842 WeakPolarHBondContact O-CB 3.49Å; E838-K842 WeakPolarHBondContact O-CD 3.36Å; E838-K842 WeakPolarHBondContact O-CG 3.23Å; E838-K842 PolarHBondContact O-N 3.35Å; E838-K842 IonicContact OE2-NZ 3.58Å; E838-K842 PolarHBondContact OE2-NZ 2.65Å; K842-G846 PolarHBondContact O-N 2.93Å
843	R	93.1	Very high	92.8	Very high	170 Å²	170	109 Å²	109	64%	0.642	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-44.6	170.4	-74	167.6	-175.7	177.9	2	111.9	K839 K840 E841 G846 N847	K839-R843 WeakPolarHBondContact O-CB 3.49Å; K839-R843 WeakPolarHBondContact O-CD 3.5Å; K839-R843 WeakPolarHBondContact O-CG 3.24Å; K839-R843 PolarHBondContact O-N 3.04Å; K840-R843 PolarHBondContact O-N 2.94Å; E841-R843 VanDerWaalsContact C-N 3.28Å; E841-R843 PolarHBondContact O-N 3.16Å; R843-G846 PolarHBondContact O-N 3.45Å; R843-N847 WeakPolarHBondContact O-CB 3.37Å; R843-N847 PolarHBondContact O-N 3.39Å; R843-N847 PolarHBondContact O-ND2 3.01Å
844	A	93.4	Very high	92.9	Very high	41 Å²	41	106 Å²	106	34%	0.339	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-49.4	177.9	0	0	0	0	0	111.6	K840 E841 G846 N847 W848	K840-A844 WeakPolarHBondContact O-CB 3.49Å; K840-A844 PolarHBondContact O-N 3.29Å; E841-A844 CarbonylContact O-C 3.57Å; E841-A844 WeakPolarHBondContact O-CB 3.48Å; E841-A844 PolarHBondContact O-N 2.88Å; A844-G846 VanDerWaalsContact C-N 3.32Å; A844-G846 PolarHBondContact O-N 3.33Å; A844-N847 CarbonylContact O-C 3.55Å; A844-N847 WeakPolarHBondContact O-CB 3.41Å; A844-N847 PolarHBondContact O-N 3.1Å; A844-N847 VanDerWaalsContact O-N 3.14Å; A844-W848 WeakPolarHBondContact O-CB 3.44Å; A844-W848 PolarHBondContact O-N 2.91Å
845	L	93.6	Very high	92.9	Very high	119 Å²	119	103.5 Å²	103.5	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-38.6	174.6	-69.5	173.6	0	0	0	112	E841 W848 K849	E841-L845 WeakPolarHBondContact O-CB 3.37Å; E841-L845 WeakPolarHBondContact O-CG 3.34Å; E841-L845 PolarHBondContact O-N 3.45Å; L845-W848 PolarHBondContact O-N 2.94Å; L845-K849 VanDerWaalsContact O-CB 3.25Å; L845-K849 WeakPolarHBondContact O-CB 3.45Å; L845-K849 PolarHBondContact O-N 2.86Å
846	G	94	Very high	92.8	Very high	38 Å²	38	103.7 Å²	103.7	39%	0.392	51%	0.512	S	S	.	.	H	α-helix	trans	-60.1	-45.4	171.4	0	0	0	0	0	112.6	K842 R843 A844 K849 L850	K842-G846 PolarHBondContact O-N 2.93Å; R843-G846 PolarHBondContact O-N 3.45Å; A844-G846 VanDerWaalsContact C-N 3.32Å; A844-G846 PolarHBondContact O-N 3.33Å; G846-K849 PolarHBondContact O-N 3.29Å; G846-L850 PolarHBondContact O-N 2.99Å
847	N	92.5	Very high	92.6	Very high	111 Å²	111	102.9 Å²	102.9	59%	0.594	51%	0.51	S	S	*	.	H	α-helix	trans	-66.6	-41.4	176	-68.6	-14.3	0	0	0	112.2	R843 A844 L850 L851	R843-N847 WeakPolarHBondContact O-CB 3.37Å; R843-N847 PolarHBondContact O-N 3.39Å; R843-N847 PolarHBondContact O-ND2 3.01Å; A844-N847 CarbonylContact O-C 3.55Å; A844-N847 WeakPolarHBondContact O-CB 3.41Å; A844-N847 PolarHBondContact O-N 3.1Å; A844-N847 VanDerWaalsContact O-N 3.14Å; N847-L850 WeakPolarHBondContact O-CB 3.47Å; N847-L850 PolarHBondContact O-N 3.23Å; N847-L851 WeakPolarHBondContact O-CB 3.41Å; N847-L851 PolarHBondContact O-N 3.34Å
848	W	93.3	Very high	92.4	Very high	170 Å²	170	105.4 Å²	105.4	64%	0.644	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-41.3	174.2	-81.6	113.7	0	0	0	112	A844 L845 L850 L851 A852	A844-W848 WeakPolarHBondContact O-CB 3.44Å; A844-W848 PolarHBondContact O-N 2.91Å; L845-W848 PolarHBondContact O-N 2.94Å; W848-L850 VanDerWaalsContact C-N 3.31Å; W848-L850 PolarHBondContact O-N 3.03Å; W848-L851 HydrophobicContact CE3-CD2 3.86Å; W848-L851 HydrophobicContact CZ3-CD2 3.77Å; W848-L851 PolarHBondContact O-N 2.79Å; W848-A852 VanDerWaalsContact O-CB 3.29Å; W848-A852 WeakPolarHBondContact O-CB 3.47Å; W848-A852 PolarHBondContact O-N 3.25Å
849	K	92.8	Very high	92.1	Very high	141 Å²	141	105.5 Å²	105.5	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-37.6	174	-171.7	175.6	-175.3	177.3	0	111.4	L845 G846 K853	L845-K849 VanDerWaalsContact O-CB 3.25Å; L845-K849 WeakPolarHBondContact O-CB 3.45Å; L845-K849 PolarHBondContact O-N 2.86Å; G846-K849 PolarHBondContact O-N 3.29Å; K849-K853 WeakPolarHBondContact O-CB 3.24Å; K849-K853 WeakPolarHBondContact O-CG 3.49Å; K849-K853 PolarHBondContact O-N 3.17Å
850	L	91	Very high	91.7	Very high	125 Å²	125	103.8 Å²	103.8	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-45.8	173.4	-162.1	82.2	0	0	0	111.5	G846 N847 W848 G854	G846-L850 PolarHBondContact O-N 2.99Å; N847-L850 WeakPolarHBondContact O-CB 3.47Å; N847-L850 PolarHBondContact O-N 3.23Å; W848-L850 VanDerWaalsContact C-N 3.31Å; W848-L850 PolarHBondContact O-N 3.03Å; L850-G854 PolarHBondContact O-N 3.4Å
851	L	93.1	Very high	91.4	Very high	93 Å²	93	102.3 Å²	102.3	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-48	178.4	-175.2	68.7	0	0	0	111.8	N847 W848 G854 L855	N847-L851 WeakPolarHBondContact O-CB 3.41Å; N847-L851 PolarHBondContact O-N 3.34Å; W848-L851 HydrophobicContact CE3-CD2 3.86Å; W848-L851 HydrophobicContact CZ3-CD2 3.77Å; W848-L851 PolarHBondContact O-N 2.79Å; L851-G854 CarbonylContact O-C 3.55Å; L851-G854 WeakPolarHBondContact O-CA 3.4Å; L851-G854 PolarHBondContact O-N 2.81Å; L851-G854 VanDerWaalsContact O-N 3.14Å; L851-L855 HydrophobicContact CG-CD1 4.39Å; L851-L855 WeakPolarHBondContact O-CG 3.48Å; L851-L855 PolarHBondContact O-N 2.84Å
852	A	93.7	Very high	91	Very high	48 Å²	48	103.6 Å²	103.6	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-44	178	0	0	0	0	0	111.8	W848 G854 L855 L856	W848-A852 VanDerWaalsContact O-CB 3.29Å; W848-A852 WeakPolarHBondContact O-CB 3.47Å; W848-A852 PolarHBondContact O-N 3.25Å; A852-G854 VanDerWaalsContact C-N 3.32Å; A852-G854 PolarHBondContact O-N 3.32Å; A852-L855 PolarHBondContact O-N 3.31Å; A852-L856 WeakPolarHBondContact O-CB 3.37Å; A852-L856 WeakPolarHBondContact O-CG 3.43Å; A852-L856 PolarHBondContact O-N 3.05Å
853	K	91.6	Very high	90.5	Very high	115 Å²	115	106.5 Å²	106.5	50%	0.5	52%	0.516	S	S	.	.	H	α-helix	trans	-58.3	-44	170.5	-80.5	-171.6	171.5	-163.5	0	111.5	K849 L855 L856 I857	K849-K853 WeakPolarHBondContact O-CB 3.24Å; K849-K853 WeakPolarHBondContact O-CG 3.49Å; K849-K853 PolarHBondContact O-N 3.17Å; K853-L855 PolarHBondContact O-N 2.84Å; K853-L856 PolarHBondContact O-N 3.19Å; K853-I857 WeakPolarHBondContact O-CB 3.3Å; K853-I857 WeakPolarHBondContact O-CD1 2.96Å; K853-I857 WeakPolarHBondContact O-CG1 3.46Å; K853-I857 PolarHBondContact O-N 2.75Å
854	G	93.4	Very high	89.8	Confident	38 Å²	38	103 Å²	103	39%	0.392	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-41.8	176.3	0	0	0	0	0	113.4	L850 L851 A852 R858	L850-G854 PolarHBondContact O-N 3.4Å; L851-G854 CarbonylContact O-C 3.55Å; L851-G854 WeakPolarHBondContact O-CA 3.4Å; L851-G854 PolarHBondContact O-N 2.81Å; L851-G854 VanDerWaalsContact O-N 3.14Å; A852-G854 VanDerWaalsContact C-N 3.32Å; A852-G854 PolarHBondContact O-N 3.32Å; G854-R858 WeakPolarHBondContact O-CB 3.49Å; G854-R858 PolarHBondContact O-N 3.46Å
855	L	93	Very high	89.2	Confident	86 Å²	86	109.6 Å²	109.6	45%	0.45	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-45	176.2	-71.3	172.3	0	0	0	112.2	L851 A852 K853 I857 R858 E859	L851-L855 HydrophobicContact CG-CD1 4.39Å; L851-L855 WeakPolarHBondContact O-CG 3.48Å; L851-L855 PolarHBondContact O-N 2.84Å; A852-L855 PolarHBondContact O-N 3.31Å; K853-L855 PolarHBondContact O-N 2.84Å; L855-I857 VanDerWaalsContact C-N 3.34Å; L855-I857 PolarHBondContact O-N 2.97Å; L855-R858 WeakPolarHBondContact O-CB 3.47Å; L855-R858 PolarHBondContact O-N 2.83Å; L855-R858 VanDerWaalsContact O-N 3.15Å; L855-E859 PolarHBondContact O-N 3.49Å
856	L	90.8	Very high	87.8	Confident	114 Å²	114	105.1 Å²	105.1	60%	0.597	50%	0.503	S	S	*	.	H	α-helix	trans	-63.2	-38.5	175.5	-71.4	171	0	0	0	112.1	A852 K853 E859 R860	A852-L856 WeakPolarHBondContact O-CB 3.37Å; A852-L856 WeakPolarHBondContact O-CG 3.43Å; A852-L856 PolarHBondContact O-N 3.05Å; K853-L856 PolarHBondContact O-N 3.19Å; L856-E859 PolarHBondContact O-N 3.41Å; L856-R860 WeakPolarHBondContact O-CB 3.24Å; L856-R860 PolarHBondContact O-N 2.92Å
857	I	86.9	Confident	86.2	Confident	72 Å²	72	109.7 Å²	109.7	37%	0.369	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-43.4	172.5	-71	165.3	0	0	0	110.2	K853 L855 E859 R860 L861	K853-I857 WeakPolarHBondContact O-CB 3.3Å; K853-I857 WeakPolarHBondContact O-CD1 2.96Å; K853-I857 WeakPolarHBondContact O-CG1 3.46Å; K853-I857 PolarHBondContact O-N 2.75Å; L855-I857 VanDerWaalsContact C-N 3.34Å; L855-I857 PolarHBondContact O-N 2.97Å; I857-E859 PolarHBondContact O-N 2.81Å; I857-R860 PolarHBondContact O-N 3.28Å; I857-L861 HydrophobicContact CG2-CD1 3.84Å; I857-L861 HydrophobicContact CG2-CG 4.45Å; I857-L861 WeakPolarHBondContact O-CB 3.5Å; I857-L861 VanDerWaalsContact O-CG 3.28Å; I857-L861 WeakPolarHBondContact O-CG 3.36Å; I857-L861 PolarHBondContact O-N 3.1Å
858	R	88.7	Confident	84.2	Confident	156 Å²	156	113.4 Å²	113.4	59%	0.589	54%	0.536	S	S	*	.	H	α-helix	trans	-62.1	-40.6	176.3	-167.8	-179.9	76.3	157.6	1.6	112.3	G854 L855 K862	G854-R858 WeakPolarHBondContact O-CB 3.49Å; G854-R858 PolarHBondContact O-N 3.46Å; L855-R858 WeakPolarHBondContact O-CB 3.47Å; L855-R858 PolarHBondContact O-N 2.83Å; L855-R858 VanDerWaalsContact O-N 3.15Å; R858-K862 PolarHBondContact O-N 3.46Å
859	E	88.3	Confident	82	Confident	87 Å²	87	110.9 Å²	110.9	41%	0.407	54%	0.544	S	S	.	.	H	α-helix	trans	-70.6	-43.2	176.5	-160.3	-164.9	142	0	0	111.8	L855 L856 I857 L861 K862 R863	L855-E859 PolarHBondContact O-N 3.49Å; L856-E859 PolarHBondContact O-N 3.41Å; I857-E859 PolarHBondContact O-N 2.81Å; E859-L861 VanDerWaalsContact C-N 3.29Å; E859-L861 PolarHBondContact O-N 3.5Å; E859-K862 CarbonylContact O-C 3.6Å; E859-K862 WeakPolarHBondContact O-CA 3.49Å; E859-K862 WeakPolarHBondContact O-CB 3.32Å; E859-K862 PolarHBondContact O-N 3.37Å; E859-K862 VanDerWaalsContact O-N 3.08Å; E859-R863 PolarHBondContact O-N 3.12Å; E859-R863 IonicContact OE1-CZ 3.73Å; E859-R863 VanDerWaalsContact OE1-CZ 3.29Å; E859-R863 IonicContact OE1-NE 3.09Å; E859-R863 PolarHBondContact OE1-NE 3.47Å; E859-R863 IonicContact OE1-NH2 3.25Å; E859-R863 PolarHBondContact OE1-NH2 3.48Å
860	R	84.3	Confident	79.5	Confident	87 Å²	87	112.6 Å²	112.6	33%	0.328	56%	0.555	S	S	.	*	H	α-helix	trans	-59.3	-39	173.9	-179.2	-178.4	-76.4	-164.6	-6.1	111.9	L856 I857 R863 R864 I899 S903	L856-R860 WeakPolarHBondContact O-CB 3.24Å; L856-R860 PolarHBondContact O-N 2.92Å; I857-R860 PolarHBondContact O-N 3.28Å; R860-R863 PolarHBondContact O-N 3.26Å; R860-R864 WeakPolarHBondContact O-CG 3.41Å; R860-R864 PolarHBondContact O-N 3.1Å; R860-R864 VanDerWaalsContact O-N 3.08Å; R860-I899 PolarHBondContact NH1-O 3.18Å; R860-S903 PolarHBondContact NH1-OG 2.83Å; R860-S903 VanDerWaalsContact NH1-OG 3.12Å
861	L	85.4	Confident	77.1	Confident	88 Å²	88	111.4 Å²	111.4	46%	0.461	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-44.5	172	-76.8	164.6	0	0	0	111.3	I857 E859 R863 R864 Y865	I857-L861 HydrophobicContact CG2-CD1 3.84Å; I857-L861 HydrophobicContact CG2-CG 4.45Å; I857-L861 WeakPolarHBondContact O-CB 3.5Å; I857-L861 VanDerWaalsContact O-CG 3.28Å; I857-L861 WeakPolarHBondContact O-CG 3.36Å; I857-L861 PolarHBondContact O-N 3.1Å; E859-L861 VanDerWaalsContact C-N 3.29Å; E859-L861 PolarHBondContact O-N 3.5Å; L861-R863 VanDerWaalsContact C-N 3.31Å; L861-R863 PolarHBondContact O-N 3.17Å; L861-R864 PolarHBondContact O-N 3Å; L861-Y865 HydrophobicContact CD2-CD2 3.81Å; L861-Y865 HydrophobicContact CD2-CE2 3.89Å; L861-Y865 PolarHBondContact O-N 3.36Å
862	K	85.3	Confident	74.5	Confident	145 Å²	145	111.3 Å²	111.3	63%	0.63	58%	0.576	S	S	*	*	H	α-helix	trans	-60.1	-34.9	172.5	-81.8	-169.3	171	-163.7	0	113.3	R858 E859 G866	R858-K862 PolarHBondContact O-N 3.46Å; E859-K862 CarbonylContact O-C 3.6Å; E859-K862 WeakPolarHBondContact O-CA 3.49Å; E859-K862 WeakPolarHBondContact O-CB 3.32Å; E859-K862 PolarHBondContact O-N 3.37Å; E859-K862 VanDerWaalsContact O-N 3.08Å; K862-G866 WeakPolarHBondContact O-CA 3.45Å; K862-G866 PolarHBondContact O-N 3.16Å
863	R	81.7	Confident	71.9	Confident	193 Å²	193	113.5 Å²	113.5	73%	0.728	59%	0.594	S	S	*	*	H	α-helix	trans	-75.9	-29.7	176.8	-66.9	-170.4	-169.1	-152	5.3	113.4	E859 R860 L861	E859-R863 PolarHBondContact O-N 3.12Å; E859-R863 IonicContact OE1-CZ 3.73Å; E859-R863 VanDerWaalsContact OE1-CZ 3.29Å; E859-R863 IonicContact OE1-NE 3.09Å; E859-R863 PolarHBondContact OE1-NE 3.47Å; E859-R863 IonicContact OE1-NH2 3.25Å; E859-R863 PolarHBondContact OE1-NH2 3.48Å; R860-R863 PolarHBondContact O-N 3.26Å; L861-R863 VanDerWaalsContact C-N 3.31Å; L861-R863 PolarHBondContact O-N 3.17Å
864	R	79	Confident	69.4	Low	96 Å²	96	113.5 Å²	113.5	36%	0.362	61%	0.605	S	S	.	*	H	α-helix	trans	-87.2	-37.2	178.8	-68.9	-174	-162.9	-130.4	6.2	114	R860 L861 A896 L900	R860-R864 WeakPolarHBondContact O-CG 3.41Å; R860-R864 PolarHBondContact O-N 3.1Å; R860-R864 VanDerWaalsContact O-N 3.08Å; L861-R864 PolarHBondContact O-N 3Å; R864-A896 PolarHBondContact NH2-O 2.87Å; R864-L900 VanDerWaalsContact NH1-CD1 3.31Å
865	Y	80	Confident	67	Low	179 Å²	179	120.3 Å²	120.3	70%	0.702	63%	0.627	S	S	*	*	H	α-helix	trans	-127.6	3.5	-171.5	-54	-75.7	0	0	0	113.5	L861	L861-Y865 HydrophobicContact CD2-CD2 3.81Å; L861-Y865 HydrophobicContact CD2-CE2 3.89Å; L861-Y865 PolarHBondContact O-N 3.36Å
866	G	64.1	Low	64.4	Low	25 Å²	25	121.3 Å²	121.3	26%	0.258	64%	0.637	S	S	.	*	S	Bend	trans	-64.1	151.7	162.3	0	0	0	0	0	109.5	K862 K868	K862-G866 WeakPolarHBondContact O-CA 3.45Å; K862-G866 PolarHBondContact O-N 3.16Å; G866-K868 PolarHBondContact O-N 2.67Å
867	P	61.7	Low	62	Low	134 Å²	134	123.5 Å²	123.5	87%	0.87	65%	0.649	S	S	*	*			trans	-59.9	112.9	179.3	25.5	-33.3	0	0	0	108.8	S869	P867-S869 PolarHBondContact O-N 2.85Å; P867-S869 VanDerWaalsContact O-N 3.07Å
868	K	50.5	Low	59.8	Low	189 Å²	189	124.7 Å²	124.7	82%	0.822	67%	0.67	S	S	*	*			trans	-64.6	107.5	161.2	-73.6	-176.5	176.4	-177.1	0	105.5	G866 E870	G866-K868 PolarHBondContact O-N 2.67Å; K868-E870 PolarHBondContact O-N 2.76Å
869	S	46	Very low	57.2	Low	117 Å²	117	121.2 Å²	121.2	82%	0.818	68%	0.682	S	S	*	*			trans	-60.2	123.6	166.7	-168.8	0	0	0	0	107.2	P867	P867-S869 PolarHBondContact O-N 2.85Å; P867-S869 VanDerWaalsContact O-N 3.07Å
870	E	41.6	Very low	54.7	Low	178 Å²	178	121 Å²	121	83%	0.832	70%	0.704	S	S	*	*			trans	-63.4	169.1	161.5	-66.2	178.7	138.9	0	0	109.8	K868	K868-E870 PolarHBondContact O-N 2.76Å
871	A	40.6	Very low	52.4	Low	100 Å²	100	120.5 Å²	120.5	83%	0.826	73%	0.725	S	S	*	*			trans	-8.5	144.9	170.7	0	0	0	0	0	118.7
872	A	38.3	Very low	50.1	Low	91 Å²	91	124.4 Å²	124.4	75%	0.752	75%	0.746	S	S	*	*			cis	-142.9	132.3	32.2	0	0	0	0	0	111.6
873	A	37.7	Very low	48	Very low	94 Å²	94	122.8 Å²	122.8	78%	0.777	75%	0.752	S	S	*	*				79.8	112.6	98	0	0	0	0	0	113.7
874	P	40.3	Very low	46.2	Very low	114 Å²	114	118.1 Å²	118.1	74%	0.74	75%	0.749	S	S	*	*			trans	-99.9	151.5	-175.5	37.7	-33.4	0	0	0	114.3
875	H	42.3	Very low	44.4	Very low	181 Å²	181	120.3 Å²	120.3	84%	0.838	77%	0.768	S	S	*	*			trans	-133.9	101.6	155.3	-72.9	-72.1	0	0	0	105.5
876	T	39	Very low	42.6	Very low	108 Å²	108	120 Å²	120	66%	0.663	77%	0.773	S	S	*	*				75	140.1	81.2	58.2	0	0	0	0	114.3
877	D	39.7	Very low	41.6	Very low	159 Å²	159	127.2 Å²	127.2	85%	0.85	80%	0.8	S	S	*	*			trans	72	139.3	178.4	-54	-22.4	0	0	0	118.2
878	A	40.8	Very low	40.5	Very low	98 Å²	98	129.7 Å²	129.7	81%	0.81	80%	0.8	S	S	*	*			cis	-167.3	143.6	-23.7	0	0	0	0	0	108.3
879	G	35.2	Very low	39.9	Very low	82 Å²	82	123.4 Å²	123.4	85%	0.845	79%	0.789	S	S	*	*			trans	152.7	90	165.7	0	0	0	0	0	118.3
880	G	34.6	Very low	39.7	Very low	84 Å²	84	125.4 Å²	125.4	87%	0.866	80%	0.796	S	S	*	*			trans	74.2	116.4	167.5	0	0	0	0	0	114.5
881	G	36.2	Very low	40.1	Very low	75 Å²	75	120.3 Å²	120.3	77%	0.773	78%	0.78	S	S	*	*			cis	100.3	120.6	44.2	0	0	0	0	0	107.3
882	L	38	Very low	41.3	Very low	171 Å²	171	120.1 Å²	120.1	90%	0.895	77%	0.773	S	S	*	*			cis	-139.3	127.1	28.5	-59.8	158.9	0	0	0	108.9
883	S	41	Very low	42.5	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	77%	0.774	S	S	*	*				68.2	100.5	94.9	-159.5	0	0	0	0	114.2
884	S	43.6	Very low	43.9	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	76%	0.762	S	S	*	*				73.8	136.5	85.7	-119.5	0	0	0	0	113.3
885	D	40.9	Very low	45.3	Very low	142 Å²	142	121.7 Å²	121.7	76%	0.759	75%	0.75	S	S	*	*			cis	-127.4	156.3	8.9	-62	-51.2	0	0	0	110
886	E	42.1	Very low	46.6	Very low	172 Å²	172	114.7 Å²	114.7	80%	0.804	72%	0.723	S	S	*	*			cis	69.5	88.4	34.6	-66.2	-64.4	154.8	0	0	116
887	E	43.2	Very low	48.2	Very low	178 Å²	178	112.1 Å²	112.1	83%	0.832	71%	0.713	S	S	*	*			trans	-148	140.2	144	-82.3	-146.9	151.6	0	0	111.9
888	E	39.3	Very low	49.7	Very low	186 Å²	186	114.1 Å²	114.1	87%	0.869	71%	0.708	S	S	*	*			trans	43.5	126	162.5	-53.7	-165.2	143.3	0	0	119.6
889	G	38.1	Very low	51.2	Low	57 Å²	57	113.2 Å²	113.2	59%	0.588	69%	0.689	S	S	*	*			cis	127.6	124.2	25.3	0	0	0	0	0	109.6	S891	G889-S891 PolarHBondContact O-N 2.97Å; G889-S891 VanDerWaalsContact O-N 3.12Å
890	T	40.9	Very low	52.6	Low	158 Å²	158	112.2 Å²	112.2	97%	0.969	66%	0.664	S	S	*	*	S	Bend	trans	68.1	-15.1	171.4	70	0	0	0	0	121.8
891	S	50.5	Low	54.1	Low	71 Å²	71	111.2 Å²	111.2	50%	0.497	65%	0.647	S	S	.	*			trans	-76.6	-22.1	-177.5	-173.7	0	0	0	0	116.3	G889 Q893 A894 E895	G889-S891 PolarHBondContact O-N 2.97Å; G889-S891 VanDerWaalsContact O-N 3.12Å; S891-Q893 PolarHBondContact O-N 2.92Å; S891-Q893 VanDerWaalsContact O-N 3.08Å; S891-A894 PolarHBondContact O-N 2.91Å; S891-A894 VanDerWaalsContact O-N 3.14Å; S891-E895 PolarHBondContact O-N 3.5Å; S891-E895 VanDerWaalsContact O-N 3.1Å
892	S	64.7	Low	55.5	Low	96 Å²	96	111.7 Å²	111.7	67%	0.671	64%	0.644	S	S	*	*	H	α-helix	trans	-59.7	-32.7	-157	67.9	0	0	0	0	116.5	A896	S892-A896 WeakPolarHBondContact O-CB 3.44Å; S892-A896 PolarHBondContact O-N 3.46Å
893	Q	65	Low	56.5	Low	166 Å²	166	105.4 Å²	105.4	78%	0.776	62%	0.615	S	S	*	*	H	α-helix	trans	-77.8	-37.2	-179.6	-168.4	173.2	1.9	0	0	112.6	S891 A896 A897	S891-Q893 PolarHBondContact O-N 2.92Å; S891-Q893 VanDerWaalsContact O-N 3.08Å; Q893-A896 PolarHBondContact O-N 3.26Å; Q893-A897 WeakPolarHBondContact O-CB 3.4Å; Q893-A897 PolarHBondContact O-N 3.17Å
894	A	67.4	Low	56.8	Low	63 Å²	63	108.7 Å²	108.7	52%	0.521	61%	0.61	S	S	.	*	H	α-helix	trans	-69	-38.9	175.5	0	0	0	0	0	110.8	S891 A897 R898	S891-A894 PolarHBondContact O-N 2.91Å; S891-A894 VanDerWaalsContact O-N 3.14Å; A894-A897 WeakPolarHBondContact O-CB 3.41Å; A894-A897 PolarHBondContact O-N 3.27Å; A894-R898 PolarHBondContact O-N 2.75Å
895	E	68.5	Low	57.2	Low	104 Å²	104	109.1 Å²	109.1	49%	0.486	61%	0.61	S	S	.	*	H	α-helix	trans	-67.1	-44	173	-171	164.3	-161.3	0	0	111.8	S891 A897 R898 I899	S891-E895 PolarHBondContact O-N 3.5Å; S891-E895 VanDerWaalsContact O-N 3.1Å; E895-A897 PolarHBondContact O-N 2.73Å; E895-A897 VanDerWaalsContact O-N 3.16Å; E895-R898 PolarHBondContact O-N 2.87Å; E895-I899 HydrophobicContact CG-CD1 3.78Å; E895-I899 HydrophobicContact CG-CG1 4.42Å; E895-I899 VanDerWaalsContact O-CB 3.3Å; E895-I899 WeakPolarHBondContact O-CB 3.39Å; E895-I899 VanDerWaalsContact O-CG1 3.29Å; E895-I899 WeakPolarHBondContact O-CG1 3.42Å; E895-I899 PolarHBondContact O-N 2.96Å
896	A	70.3	Confident	57.5	Low	34 Å²	34	108.4 Å²	108.4	28%	0.281	60%	0.603	S	S	.	*	H	α-helix	trans	-63.6	-18.6	173	0	0	0	0	0	114.1	R864 S892 Q893 L900	R864-A896 PolarHBondContact NH2-O 2.87Å; S892-A896 WeakPolarHBondContact O-CB 3.44Å; S892-A896 PolarHBondContact O-N 3.46Å; Q893-A896 PolarHBondContact O-N 3.26Å; A896-L900 WeakPolarHBondContact O-CB 3.32Å; A896-L900 PolarHBondContact O-N 2.87Å
897	A	71.9	Confident	57.9	Low	53 Å²	53	104.3 Å²	104.3	44%	0.438	59%	0.586	S	S	.	*	H	α-helix	trans	-85.6	-44.2	171.4	0	0	0	0	0	112.3	Q893 A894 E895 I899 L900 A901	Q893-A897 WeakPolarHBondContact O-CB 3.4Å; Q893-A897 PolarHBondContact O-N 3.17Å; A894-A897 WeakPolarHBondContact O-CB 3.41Å; A894-A897 PolarHBondContact O-N 3.27Å; E895-A897 PolarHBondContact O-N 2.73Å; E895-A897 VanDerWaalsContact O-N 3.16Å; A897-I899 VanDerWaalsContact C-N 3.33Å; A897-I899 PolarHBondContact O-N 3Å; A897-L900 WeakPolarHBondContact O-CA 3.43Å; A897-L900 WeakPolarHBondContact O-CB 3.15Å; A897-L900 PolarHBondContact O-N 3.42Å; A897-A901 PolarHBondContact O-N 3.17Å
898	R	72	Confident	58	Low	202 Å²	202	105.7 Å²	105.7	76%	0.762	58%	0.584	S	S	*	*	H	α-helix	trans	-57.8	-45.3	171	-75.6	179.5	174.5	171.5	-0.3	111.5	A894 E895 L900 A901 A902	A894-R898 PolarHBondContact O-N 2.75Å; E895-R898 PolarHBondContact O-N 2.87Å; R898-L900 PolarHBondContact O-N 3.45Å; R898-A901 PolarHBondContact O-N 3.22Å; R898-A902 WeakPolarHBondContact O-CB 3.44Å; R898-A902 PolarHBondContact O-N 2.89Å
899	I	71.9	Confident	58.4	Low	78 Å²	78	102.6 Å²	102.6	40%	0.4	57%	0.569	S	S	.	*	H	α-helix	trans	-67.7	-19.5	174.5	-67	170.8	0	0	0	112.2	R860 E895 A897 S903	R860-I899 PolarHBondContact NH1-O 3.18Å; E895-I899 HydrophobicContact CG-CD1 3.78Å; E895-I899 HydrophobicContact CG-CG1 4.42Å; E895-I899 VanDerWaalsContact O-CB 3.3Å; E895-I899 WeakPolarHBondContact O-CB 3.39Å; E895-I899 VanDerWaalsContact O-CG1 3.29Å; E895-I899 WeakPolarHBondContact O-CG1 3.42Å; E895-I899 PolarHBondContact O-N 2.96Å; A897-I899 VanDerWaalsContact C-N 3.33Å; A897-I899 PolarHBondContact O-N 3Å; I899-S903 VanDerWaalsContact O-CB 3.29Å; I899-S903 WeakPolarHBondContact O-CB 3.48Å; I899-S903 PolarHBondContact O-OG 2.93Å
900	L	63.8	Low	58.9	Low	62 Å²	62	103.1 Å²	103.1	33%	0.325	56%	0.559	S	S	.	*	H	α-helix	trans	-77.5	-51.4	171.6	-133.2	177	0	0	0	110.7	R864 A896 A897 R898 A902 S903 W904	R864-L900 VanDerWaalsContact NH1-CD1 3.31Å; A896-L900 WeakPolarHBondContact O-CB 3.32Å; A896-L900 PolarHBondContact O-N 2.87Å; A897-L900 WeakPolarHBondContact O-CA 3.43Å; A897-L900 WeakPolarHBondContact O-CB 3.15Å; A897-L900 PolarHBondContact O-N 3.42Å; R898-L900 PolarHBondContact O-N 3.45Å; L900-A902 PolarHBondContact O-N 3.1Å; L900-S903 WeakPolarHBondContact CA-OG 3.31Å; L900-S903 WeakPolarHBondContact O-CA 3.38Å; L900-S903 PolarHBondContact O-N 3.09Å; L900-S903 PolarHBondContact O-OG 3.35Å; L900-W904 PolarHBondContact O-N 2.79Å
901	A	67.1	Low	59.4	Low	62 Å²	62	101 Å²	101	51%	0.512	54%	0.538	S	S	.	.	H	α-helix	trans	-57.1	-47.8	177.3	0	0	0	0	0	111.3	A897 R898 S903 W904	A897-A901 PolarHBondContact O-N 3.17Å; R898-A901 PolarHBondContact O-N 3.22Å; A901-S903 PolarHBondContact O-N 2.74Å; A901-S903 VanDerWaalsContact O-N 3.11Å; A901-W904 PolarHBondContact O-N 3.08Å
902	A	65.5	Low	59.5	Low	85 Å²	85	104 Å²	104	70%	0.702	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.8	175.3	0	0	0	0	0	114.7	R898 L900	R898-A902 WeakPolarHBondContact O-CB 3.44Å; R898-A902 PolarHBondContact O-N 2.89Å; L900-A902 PolarHBondContact O-N 3.1Å
903	S	58.3	Low	59	Low	40 Å²	40	104 Å²	104	28%	0.28	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-8	178.7	69.6	0	0	0	0	114.7	R860 I899 L900 A901	R860-S903 PolarHBondContact NH1-OG 2.83Å; R860-S903 VanDerWaalsContact NH1-OG 3.12Å; I899-S903 VanDerWaalsContact O-CB 3.29Å; I899-S903 WeakPolarHBondContact O-CB 3.48Å; I899-S903 PolarHBondContact O-OG 2.93Å; L900-S903 WeakPolarHBondContact CA-OG 3.31Å; L900-S903 WeakPolarHBondContact O-CA 3.38Å; L900-S903 PolarHBondContact O-N 3.09Å; L900-S903 PolarHBondContact O-OG 3.35Å; A901-S903 PolarHBondContact O-N 2.74Å; A901-S903 VanDerWaalsContact O-N 3.11Å
904	W	48.8	Very low	58.6	Low	179 Å²	179	102.8 Å²	102.8	68%	0.678	53%	0.526	S	S	*	.	S	Bend	trans	-78.4	145.6	173.9	-106.1	73.8	0	0	0	111.6	L900 A901 Q906	L900-W904 PolarHBondContact O-N 2.79Å; A901-W904 PolarHBondContact O-N 3.08Å; W904-Q906 PolarHBondContact O-N 3.29Å
905	P	51.1	Low	57.9	Low	103 Å²	103	107.4 Å²	107.4	67%	0.669	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	53.8	-175.1	33.2	-37.4	0	0	0	114	N907	P905-N907 VanDerWaalsContact C-N 3.28Å
906	Q	47.2	Very low	57	Low	127 Å²	127	108.3 Å²	108.3	59%	0.593	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.1	167.4	-78	177.7	-87.3	0	0	112.4	W904 R908 E909 D910	W904-Q906 PolarHBondContact O-N 3.29Å; Q906-R908 PolarHBondContact O-N 3.35Å; Q906-E909 PolarHBondContact O-N 2.82Å; Q906-D910 PolarHBondContact O-N 3.48Å
907	N	49.6	Very low	56.2	Low	86 Å²	86	115.4 Å²	115.4	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-52.6	-19.8	-179.6	-69.7	48.3	0	0	0	115.4	P905 D910 E911	P905-N907 VanDerWaalsContact C-N 3.28Å; N907-D910 PolarHBondContact O-N 2.88Å; N907-E911 WeakPolarHBondContact O-CB 3.22Å; N907-E911 WeakPolarHBondContact O-CG 3.41Å; N907-E911 PolarHBondContact O-N 3.44Å
908	R	45.2	Very low	55.3	Low	207 Å²	207	116.3 Å²	116.3	78%	0.781	58%	0.581	S	S	*	*	H	α-helix	trans	-70	-36	178.1	-147.5	175.7	-165.6	134.7	4.7	112.1	Q906	Q906-R908 PolarHBondContact O-N 3.35Å
909	E	47.7	Very low	53.9	Low	121 Å²	121	108.9 Å²	108.9	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-78.9	-36.4	171.4	-67.2	-174.1	-156.4	0	0	111.7	Q906 E912 K913	Q906-E909 PolarHBondContact O-N 2.82Å; E909-E912 PolarHBondContact O-N 3.17Å; E909-K913 HydrophobicContact CB-CD 4.49Å; E909-K913 WeakPolarHBondContact O-CB 3.44Å; E909-K913 VanDerWaalsContact O-CG 3.22Å; E909-K913 WeakPolarHBondContact O-CG 3.39Å; E909-K913 PolarHBondContact O-N 3.44Å; E909-K913 IonicContact OE2-NZ 2.8Å; E909-K913 PolarHBondContact OE2-NZ 3.1Å
910	D	50.1	Low	53.1	Low	69 Å²	69	111.1 Å²	111.1	37%	0.369	59%	0.587	S	S	.	*	H	α-helix	trans	-75	-30.8	-176.5	-66.1	-36.7	0	0	0	113.2	Q906 N907 K913 Q914	Q906-D910 PolarHBondContact O-N 3.48Å; N907-D910 PolarHBondContact O-N 2.88Å; D910-K913 PolarHBondContact O-N 2.96Å; D910-Q914 VanDerWaalsContact O-CB 3.27Å; D910-Q914 WeakPolarHBondContact O-CB 3.28Å; D910-Q914 VanDerWaalsContact O-CG 3.3Å; D910-Q914 WeakPolarHBondContact O-CG 3.12Å; D910-Q914 PolarHBondContact O-N 3.49Å
911	E	51.7	Low	52.7	Low	112 Å²	112	118.2 Å²	118.2	52%	0.523	62%	0.615	S	S	.	*	H	α-helix	trans	-67.4	-34.4	169.1	-77.4	-175.8	-162.5	0	0	112.1	N907 K915	N907-E911 WeakPolarHBondContact O-CB 3.22Å; N907-E911 WeakPolarHBondContact O-CG 3.41Å; N907-E911 PolarHBondContact O-N 3.44Å; E911-K915 WeakPolarHBondContact O-CB 3.43Å; E911-K915 VanDerWaalsContact O-CG 3.32Å; E911-K915 WeakPolarHBondContact O-CG 3.44Å; E911-K915 PolarHBondContact O-N 3.34Å
912	E	50.9	Low	52.4	Low	134 Å²	134	120.8 Å²	120.8	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-71.1	-43.9	172.5	-73.3	-174.7	169.2	0	0	111.3	E909 Q914 K915 L916	E909-E912 PolarHBondContact O-N 3.17Å; E912-Q914 VanDerWaalsContact C-N 3.35Å; E912-Q914 PolarHBondContact O-N 3.14Å; E912-K915 PolarHBondContact O-N 3.21Å; E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 VanDerWaalsContact O-CG 3.23Å; E912-L916 WeakPolarHBondContact O-CG 3.47Å; E912-L916 PolarHBondContact O-N 3.11Å
913	K	55.4	Low	52.9	Low	97 Å²	97	120.3 Å²	120.3	42%	0.422	60%	0.603	S	S	.	*	H	α-helix	trans	-65	-33.9	175.5	-69.7	164.5	-167.1	164.7	0	112.4	E909 D910 K917	E909-K913 HydrophobicContact CB-CD 4.49Å; E909-K913 WeakPolarHBondContact O-CB 3.44Å; E909-K913 VanDerWaalsContact O-CG 3.22Å; E909-K913 WeakPolarHBondContact O-CG 3.39Å; E909-K913 PolarHBondContact O-N 3.44Å; E909-K913 IonicContact OE2-NZ 2.8Å; E909-K913 PolarHBondContact OE2-NZ 3.1Å; D910-K913 PolarHBondContact O-N 2.96Å; K913-K917 WeakPolarHBondContact O-CB 3.21Å; K913-K917 WeakPolarHBondContact O-CG 3.26Å; K913-K917 PolarHBondContact O-N 3.19Å; K913-K917 VanDerWaalsContact O-N 3.16Å
914	Q	55.3	Low	53.7	Low	141 Å²	141	127.5 Å²	127.5	66%	0.659	63%	0.629	S	S	*	*	H	α-helix	trans	-73.4	-42.6	173.5	-77.2	-175.5	-3.7	0	0	112.1	D910 E912 L916 K917 G918	D910-Q914 VanDerWaalsContact O-CB 3.27Å; D910-Q914 WeakPolarHBondContact O-CB 3.28Å; D910-Q914 VanDerWaalsContact O-CG 3.3Å; D910-Q914 WeakPolarHBondContact O-CG 3.12Å; D910-Q914 PolarHBondContact O-N 3.49Å; E912-Q914 VanDerWaalsContact C-N 3.35Å; E912-Q914 PolarHBondContact O-N 3.14Å; Q914-L916 PolarHBondContact O-N 3.13Å; Q914-K917 PolarHBondContact O-N 3.3Å; Q914-G918 PolarHBondContact O-N 2.69Å
915	K	52.5	Low	55	Low	160 Å²	160	129.3 Å²	129.3	70%	0.696	64%	0.636	S	S	*	*	H	α-helix	trans	-61	-33.2	172	-78.5	174.6	178.2	170.1	0	112.6	E911 E912 K917	E911-K915 WeakPolarHBondContact O-CB 3.43Å; E911-K915 VanDerWaalsContact O-CG 3.32Å; E911-K915 WeakPolarHBondContact O-CG 3.44Å; E911-K915 PolarHBondContact O-N 3.34Å; E912-K915 PolarHBondContact O-N 3.21Å; K915-K917 VanDerWaalsContact C-N 3.34Å
916	L	51.5	Low	56.1	Low	123 Å²	123	128.7 Å²	128.7	64%	0.644	62%	0.624	S	S	*	*	H	α-helix	trans	-73.9	-20.2	173.2	-72.6	167.7	0	0	0	113.9	E912 Q914	E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 VanDerWaalsContact O-CG 3.23Å; E912-L916 WeakPolarHBondContact O-CG 3.47Å; E912-L916 PolarHBondContact O-N 3.11Å; Q914-L916 PolarHBondContact O-N 3.13Å
917	K	53.1	Low	57.4	Low	183 Å²	183	129.5 Å²	129.5	80%	0.796	63%	0.626	S	S	*	*	H	α-helix	trans	-93.9	-22.2	178.4	-78.5	179.2	176.7	-176	0	114.6	K913 Q914 K915	K913-K917 WeakPolarHBondContact O-CB 3.21Å; K913-K917 WeakPolarHBondContact O-CG 3.26Å; K913-K917 PolarHBondContact O-N 3.19Å; K913-K917 VanDerWaalsContact O-N 3.16Å; Q914-K917 PolarHBondContact O-N 3.3Å; K915-K917 VanDerWaalsContact C-N 3.34Å
918	G	51.7	Low	58.7	Low	71 Å²	71	133.2 Å²	133.2	73%	0.732	64%	0.638	S	S	*	*	H	α-helix	trans	-98.5	-4.8	-178	0	0	0	0	0	116.4	Q914	Q914-G918 PolarHBondContact O-N 2.69Å
919	G	44.1	Very low	60.3	Low	46 Å²	46	125.6 Å²	125.6	47%	0.474	62%	0.619	S	S	.	*	S	Bend	trans	-82.8	152.1	-177.2	0	0	0	0	0	114
920	P	53.8	Low	61.5	Low	125 Å²	125	122.5 Å²	122.5	81%	0.812	61%	0.614	S	S	*	*			trans	-57	151.7	171	25.6	-34	0	0	0	111.2	K922	P920-K922 PolarHBondContact O-N 2.94Å
921	K	55	Low	62.7	Low	211 Å²	211	121.3 Å²	121.3	92%	0.917	61%	0.614	S	S	*	*			trans	-58.3	100	-173.9	-72.4	177.4	179	171.8	0	111.3	T923	K921-T923 PolarHBondContact O-N 3.43Å
922	K	60.8	Low	63.9	Low	116 Å²	116	120 Å²	120	50%	0.504	62%	0.618	S	S	.	*			trans	-46.6	129.7	177.6	-69.3	-171	176.7	-174.1	0	112	P920 E926 K927	P920-K922 PolarHBondContact O-N 2.94Å; K922-E926 WeakPolarHBondContact CA-OE2 3.43Å; K922-E926 HydrophobicContact CB-CB 4.35Å; K922-K927 HydrophobicContact CB-CG 4.47Å
923	T	76.7	Confident	65	Low	76 Å²	76	121.1 Å²	121.1	47%	0.466	62%	0.622	S	S	.	*			trans	-62.3	157.9	-178.6	63.8	0	0	0	0	111.7	K921 R925 E926 K927	K921-T923 PolarHBondContact O-N 3.43Å; T923-R925 PolarHBondContact O-N 3.31Å; T923-R925 VanDerWaalsContact O-N 3.11Å; T923-E926 PolarHBondContact N-OE2 3.43Å; T923-E926 PolarHBondContact O-N 3.12Å; T923-E926 WeakPolarHBondContact OG1-CG 3.33Å; T923-E926 PolarHBondContact OG1-N 3.06Å; T923-E926 PolarHBondContact OG1-OE2 2.76Å; T923-K927 PolarHBondContact O-N 3.27Å; T923-K927 VanDerWaalsContact O-N 3.1Å
924	K	76	Confident	66.1	Low	190 Å²	190	120.5 Å²	120.5	83%	0.826	62%	0.623	S	S	*	*	H	α-helix	trans	-60.1	-22.4	175.4	-159.3	173.9	-174.7	176.7	0	112.3	K928	K924-K928 PolarHBondContact O-N 3.42Å
925	R	75.6	Confident	66.6	Low	218 Å²	218	120 Å²	120	82%	0.823	62%	0.619	S	S	*	*	H	α-helix	trans	-77.2	-47.3	176.1	-169.3	174	176.5	178.6	-3.8	111.8	T923 K927 K928 A929	T923-R925 PolarHBondContact O-N 3.31Å; T923-R925 VanDerWaalsContact O-N 3.11Å; R925-K927 VanDerWaalsContact C-N 3.35Å; R925-K927 PolarHBondContact O-N 3.21Å; R925-K928 PolarHBondContact O-N 3.08Å; R925-A929 PolarHBondContact O-N 3.24Å
926	E	74.3	Confident	67.5	Low	90 Å²	90	116.9 Å²	116.9	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-60.4	-41.1	173.7	-74.2	168.9	93.4	0	0	112.6	K922 T923 K928 A929 A930	K922-E926 WeakPolarHBondContact CA-OE2 3.43Å; K922-E926 HydrophobicContact CB-CB 4.35Å; T923-E926 PolarHBondContact N-OE2 3.43Å; T923-E926 PolarHBondContact O-N 3.12Å; T923-E926 WeakPolarHBondContact OG1-CG 3.33Å; T923-E926 PolarHBondContact OG1-N 3.06Å; T923-E926 PolarHBondContact OG1-OE2 2.76Å; E926-K928 VanDerWaalsContact C-N 3.27Å; E926-K928 PolarHBondContact O-N 3.1Å; E926-A929 PolarHBondContact O-N 3.13Å; E926-A929 VanDerWaalsContact O-N 3.16Å; E926-A930 WeakPolarHBondContact O-CB 3.44Å; E926-A930 PolarHBondContact O-N 3.28Å
927	K	73.8	Confident	69	Low	143 Å²	143	117.9 Å²	117.9	62%	0.622	61%	0.614	S	S	*	*	H	α-helix	trans	-60.8	-36.9	176.1	-70.4	-171.9	179.5	-174	0	112.2	K922 T923 R925 A931	K922-K927 HydrophobicContact CB-CG 4.47Å; T923-K927 PolarHBondContact O-N 3.27Å; T923-K927 VanDerWaalsContact O-N 3.1Å; R925-K927 VanDerWaalsContact C-N 3.35Å; R925-K927 PolarHBondContact O-N 3.21Å; K927-A931 WeakPolarHBondContact O-CB 3.28Å; K927-A931 PolarHBondContact O-N 3Å; K927-A931 VanDerWaalsContact O-N 3.1Å
928	K	78.4	Confident	70	Confident	164 Å²	164	113.4 Å²	113.4	71%	0.713	60%	0.596	S	S	*	*	H	α-helix	trans	-70.1	-38.8	172.8	-87	-169.3	170.5	-171.5	0	112.9	K924 R925 E926 A931 S932	K924-K928 PolarHBondContact O-N 3.42Å; R925-K928 PolarHBondContact O-N 3.08Å; E926-K928 VanDerWaalsContact C-N 3.27Å; E926-K928 PolarHBondContact O-N 3.1Å; K928-A931 PolarHBondContact O-N 2.95Å; K928-S932 PolarHBondContact O-N 2.93Å; K928-S932 VanDerWaalsContact O-N 3.1Å
929	A	77.1	Confident	71.1	Confident	47 Å²	47	115.8 Å²	115.8	39%	0.388	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-50	175.8	0	0	0	0	0	111	R925 E926 A931 S932 H933	R925-A929 PolarHBondContact O-N 3.24Å; E926-A929 PolarHBondContact O-N 3.13Å; E926-A929 VanDerWaalsContact O-N 3.16Å; A929-A931 VanDerWaalsContact C-N 3.34Å; A929-A931 PolarHBondContact O-N 3.1Å; A929-S932 WeakPolarHBondContact O-CB 3.44Å; A929-S932 PolarHBondContact O-N 3.14Å; A929-S932 PolarHBondContact O-OG 3.05Å; A929-H933 PolarHBondContact O-CD2 2.93Å; A929-H933 PolarHBondContact O-N 3.16Å
930	A	73.8	Confident	72	Confident	57 Å²	57	123.6 Å²	123.6	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-56.9	-44.9	175.6	0	0	0	0	0	112.4	E926 S932 H933	E926-A930 WeakPolarHBondContact O-CB 3.44Å; E926-A930 PolarHBondContact O-N 3.28Å; A930-S932 PolarHBondContact O-N 2.69Å; A930-H933 PolarHBondContact O-N 2.93Å; A930-H933 VanDerWaalsContact O-N 3.12Å
931	A	74.8	Confident	72.9	Confident	43 Å²	43	123.5 Å²	123.5	36%	0.355	61%	0.608	S	S	.	*	H	α-helix	trans	-62.3	-27.3	176	0	0	0	0	0	113.6	K927 K928 A929 H933 Q939	K927-A931 WeakPolarHBondContact O-CB 3.28Å; K927-A931 PolarHBondContact O-N 3Å; K927-A931 VanDerWaalsContact O-N 3.1Å; K928-A931 PolarHBondContact O-N 2.95Å; A929-A931 VanDerWaalsContact C-N 3.34Å; A929-A931 PolarHBondContact O-N 3.1Å; A931-H933 VanDerWaalsContact C-N 3.29Å; A931-H933 PolarHBondContact O-N 3.47Å; A931-Q939 PolarHBondContact O-NE2 2.6Å
932	S	78.1	Confident	73.9	Confident	86 Å²	86	118.9 Å²	118.9	60%	0.601	59%	0.592	S	S	*	*	H	α-helix	trans	-77.5	-9.9	176.8	74.9	0	0	0	0	114.8	K928 A929 A930	K928-S932 PolarHBondContact O-N 2.93Å; K928-S932 VanDerWaalsContact O-N 3.1Å; A929-S932 WeakPolarHBondContact O-CB 3.44Å; A929-S932 PolarHBondContact O-N 3.14Å; A929-S932 PolarHBondContact O-OG 3.05Å; A930-S932 PolarHBondContact O-N 2.69Å
933	H	73.5	Confident	74.6	Confident	157 Å²	157	119.1 Å²	119.1	73%	0.727	60%	0.597	S	S	*	*	H	α-helix	trans	-99	-12	175.1	-69.1	-67.9	0	0	0	114	A929 A930 A931	A929-H933 PolarHBondContact O-CD2 2.93Å; A929-H933 PolarHBondContact O-N 3.16Å; A930-H933 PolarHBondContact O-N 2.93Å; A930-H933 VanDerWaalsContact O-N 3.12Å; A931-H933 VanDerWaalsContact C-N 3.29Å; A931-H933 PolarHBondContact O-N 3.47Å
934	L	77.4	Confident	74.5	Confident	83 Å²	83	121.6 Å²	121.6	44%	0.435	61%	0.605	S	S	.	*	S	Bend	trans	-73.3	139.5	173.9	-69.3	170.8	0	0	0	110.8	E938 Q939	L934-E938 WeakPolarHBondContact CA-OE2 3.2Å; L934-E938 HydrophobicContact CB-CB 4.13Å; L934-E938 HydrophobicContact CD2-CB 3.98Å; L934-Q939 HydrophobicContact CB-CG 4.02Å
935	F	66.6	Low	74.4	Confident	132 Å²	132	117.3 Å²	117.3	58%	0.579	59%	0.591	S	S	*	*			trans	-67.8	156.8	171.7	-81.5	-88.5	0	0	0	111.1	F937 E938 Q939	F935-F937 HydrophobicContact CB-CD1 3.68Å; F935-F937 HydrophobicContact CB-CE1 3.44Å; F935-F937 VanDerWaalsContact CB-CE1 3.44Å; F935-F937 HydrophobicContact CB-CZ 4.23Å; F935-F937 HydrophobicContact CD1-CE1 4.44Å; F935-F937 HydrophobicContact CD2-CE1 4.44Å; F935-F937 HydrophobicContact CG-CD1 4.48Å; F935-F937 AromaticContact CG-CE1 3.89Å; F935-F937 HydrophobicContact CG-CE1 3.89Å; F935-F937 PolarHBondContact O-N 3.19Å; F935-E938 HydrophobicContact CB-CG 4.21Å; F935-E938 PolarHBondContact N-OE2 3.46Å; F935-E938 CarbonylContact O-C 3.59Å; F935-E938 WeakPolarHBondContact O-CA 3.43Å; F935-E938 WeakPolarHBondContact O-CB 3.19Å; F935-E938 PolarHBondContact O-N 3.11Å; F935-Q939 PolarHBondContact O-N 3.15Å
936	P	72.4	Confident	74.3	Confident	94 Å²	94	110.6 Å²	110.6	61%	0.61	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-23.3	-179.6	-27.6	36.1	0	0	0	115.5
937	F	82.5	Confident	74.3	Confident	144 Å²	144	112.1 Å²	112.1	63%	0.632	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-10.9	174.2	75.6	-92.3	0	0	0	113.6	F935	F935-F937 HydrophobicContact CB-CD1 3.68Å; F935-F937 HydrophobicContact CB-CE1 3.44Å; F935-F937 VanDerWaalsContact CB-CE1 3.44Å; F935-F937 HydrophobicContact CB-CZ 4.23Å; F935-F937 HydrophobicContact CD1-CE1 4.44Å; F935-F937 HydrophobicContact CD2-CE1 4.44Å; F935-F937 HydrophobicContact CG-CD1 4.48Å; F935-F937 AromaticContact CG-CE1 3.89Å; F935-F937 HydrophobicContact CG-CE1 3.89Å; F935-F937 PolarHBondContact O-N 3.19Å
938	E	74.1	Confident	74.3	Confident	89 Å²	89	109.7 Å²	109.7	42%	0.416	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-3.4	172.1	-53.9	173	142.4	0	0	111.4	L934 F935	L934-E938 WeakPolarHBondContact CA-OE2 3.2Å; L934-E938 HydrophobicContact CB-CB 4.13Å; L934-E938 HydrophobicContact CD2-CB 3.98Å; F935-E938 HydrophobicContact CB-CG 4.21Å; F935-E938 PolarHBondContact N-OE2 3.46Å; F935-E938 CarbonylContact O-C 3.59Å; F935-E938 WeakPolarHBondContact O-CA 3.43Å; F935-E938 WeakPolarHBondContact O-CB 3.19Å; F935-E938 PolarHBondContact O-N 3.11Å
939	Q	74.7	Confident	74	Confident	121 Å²	121	105.2 Å²	105.2	57%	0.565	57%	0.573	S	S	*	*			trans	-96.5	-6.6	171	-68.7	-175.5	-9.4	0	0	112.9	A931 L934 F935	A931-Q939 PolarHBondContact O-NE2 2.6Å; L934-Q939 HydrophobicContact CB-CG 4.02Å; F935-Q939 PolarHBondContact O-N 3.15Å
940	L	62.6	Low	73.7	Confident	209 Å²	209	110.5 Å²	110.5	100%	1.094	59%	0.59	S	S	*	*			trans	-96.9	0	172	-75.3	166.4	0	0	0	109.9

Retrieved 940 of 940 residues in 148.9 ms (Link to these results)

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