A0A060WD91_ONCMY Loading...

116 kDa U5 small nuclear ribonucleoprotein component

Required for pre-mRNA splicing as component of the spliceosome, including pre-catalytic, catalytic and post-catalytic spliceosomal complexes. Component of the U5 snRNP and the U4/U6-U5 tri-snRNP complex, a building block of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A060WD91, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene eftud2, Length 970 aa.

						>A0A060WD91_ONCMY|A0A060WD91|eftud2
METDLYDEFGNYIGPELDSDEDDDLEADDRDVDEADEDDEDEPADADEDVPGMEVVLHEDKKYYPTAEEVYGPEVETLVQEEDAQPLTEPIIKPVRNKQFTLMEQELPSTVYDMEFLADLMDSPELIRNVTLCGHLHHGKTCFVDCLIEQTHPEIRKRDDMDLRYTDILFTEQERGVGIKSTPVTMVLPDSRGKSFLFNIMDTPGHVNFSDEVTSGIRLSDGIVLFIDAAEGVMLNTERLIKHAVQERLAITICINKVDRLIVELKLPPTDAYYKLRHIVDEVNAMLSTYSTDENLVVSPLLGNVCFASSQYCVCFTLGSFAKIYSDTYGDINYTEFAKRLWGDIYFNPKTRKFTKKAPTSNSQRSFVEFVLEPLYKILSQVVGDCDTSLPRVLDELGIHLVKEELKLNIRPLLRLVCKRFFGEFTGFVDMCVQHIPSPQGGAKNKIEHSYTGGLDSDLGEAMAECDPDGPLMCHTTKMYSTEDGVQFHAFGRVLSGTIQAGQPVKVLGENYTLEDEEDSQVCTVGRLWINVARYQIEVNRVPAGNWVLIEGCDQPIVKTATITEPRGNEEAQIFRPLKFNTASVIKIAVEPVNPSELPKMLDGLRKVNKSYPSLTTKVEESGEHVILGTGELYLDCVMHDLRKMYSEIDIKVADPVVTFCETVVETSSLKCFAETPNKKNKITMIAEPLEKGLAEDIENEVVQITWNRKKLGEFFQTKYDWDLLAARSIWAFGPDTTGPNILVDDTLPSEVDKALLGSVKDSIVQGFQWGTREGPLCDEPIRNVKFKILDAVIAQEPLHRGGGQVIPTARRVVYSAFLMATPRLMEPYYFVEVQAPADCVSAVYTVLARRRGHVTQDAPIPGSPLYTIKAFIPAIDSFGFETDLRTHTQGQAFSLSVFHHWQIVPGDPLDKSIVIRPLEPQPAPHLAREFMIKTRRRKGLSEDVSISKFFDDPMLLELAKQDVVLNYPM
					

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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	45.7	Very low	57.3	Low	241 Å²	241	130.9 Å²	130.9	100%	1.187	67%	0.668	S	S	*	*				0	110.8	0	-67.8	179.1	-174.9	0	0	104.9
2	E	42.7	Very low	58.5	Low	156 Å²	156	127.8 Å²	127.8	73%	0.729	64%	0.643	S	S	*	*			trans	-77	123.1	-174.4	-69.9	178.2	163.6	0	0	108.6	D4	E2-D4 PolarHBondContact O-N 2.99Å
3	T	53.4	Low	59.8	Low	123 Å²	123	126.8 Å²	126.8	76%	0.755	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-68.8	-5.8	-174.5	25.1	0	0	0	0	114.5
4	D	56.6	Low	60.4	Low	147 Å²	147	118.9 Å²	118.9	79%	0.786	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-95.5	0.8	-169.9	-59.5	-11.6	0	0	0	113	E2	E2-D4 PolarHBondContact O-N 2.99Å
5	L	51.9	Low	60.5	Low	60 Å²	60	118 Å²	118	31%	0.314	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-103.5	7.2	178.5	-66.7	166.7	0	0	0	112.9	Y12 I13	L5-Y12 HydrophobicContact CB-CD2 4.1Å; L5-Y12 HydrophobicContact CB-CE2 3.68Å; L5-Y12 HydrophobicContact CD1-CE2 4.3Å; L5-Y12 HydrophobicContact CG-CE2 4.46Å; L5-Y12 CarbonylContact O-C 3.56Å; L5-Y12 WeakPolarHBondContact O-CA 3.32Å; L5-Y12 WeakPolarHBondContact O-CD2 3.12Å; L5-I13 PolarHBondContact O-N 3.34Å
6	Y	72.1	Confident	59.7	Low	127 Å²	127	123 Å²	123	50%	0.498	63%	0.63	S	S	.	*	B	Isolated β-bridge	trans	-131.9	141.8	177.6	-70.1	-96.9	0	0	0	110	G10 N11 Y12	Y6-G10 WeakPolarHBondContact CD1-O 3.25Å; Y6-N11 CarbonylContact C-O 3.47Å; Y6-N11 WeakPolarHBondContact CA-O 3.44Å; Y6-Y12 HydrophobicContact CD1-CD2 4.25Å; Y6-Y12 AromaticContact CD2-CD2 3.98Å; Y6-Y12 HydrophobicContact CD2-CD2 3.98Å; Y6-Y12 AromaticContact CE1-CD2 3.79Å; Y6-Y12 HydrophobicContact CE1-CD2 3.79Å; Y6-Y12 HydrophobicContact CE1-CG 4.13Å; Y6-Y12 AromaticContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CD2 3.49Å; Y6-Y12 VanDerWaalsContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CE2 4.06Å; Y6-Y12 HydrophobicContact CG-CD2 4.34Å; Y6-Y12 AromaticContact CZ-CD2 3.37Å
7	D	75.7	Confident	59	Low	57 Å²	57	123.4 Å²	123.4	31%	0.305	63%	0.632	S	S	.	*			trans	-79.5	175.9	178.3	77.5	5.6	0	0	0	112.1	F9 G10 N11 I13	D7-F9 PolarHBondContact O-N 3.46Å; D7-F9 WeakPolarHBondContact OD1-CA 3.39Å; D7-F9 PolarHBondContact OD1-N 2.64Å; D7-G10 PolarHBondContact O-N 2.99Å; D7-G10 PolarHBondContact OD1-N 3.04Å; D7-G10 VanDerWaalsContact OD1-N 3.12Å; D7-N11 PolarHBondContact N-O 2.83Å; D7-N11 WeakPolarHBondContact OD1-CB 3.48Å; D7-N11 PolarHBondContact OD1-N 2.95Å; D7-N11 PolarHBondContact OD2-ND2 3.29Å; D7-I13 HydrophobicContact CB-CD1 3.61Å; D7-I13 HydrophobicContact CB-CG1 4.01Å
8	E	51	Low	58.1	Low	198 Å²	198	126.1 Å²	126.1	93%	0.925	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-1.8	-176.2	-62.8	-177.5	171.2	0	0	114.3
9	F	57	Low	56.9	Low	185 Å²	185	125.3 Å²	125.3	81%	0.811	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	0.7	171.9	-63.8	-81.3	0	0	0	113.1	D7	D7-F9 PolarHBondContact O-N 3.46Å; D7-F9 WeakPolarHBondContact OD1-CA 3.39Å; D7-F9 PolarHBondContact OD1-N 2.64Å
10	G	59.2	Low	56	Low	51 Å²	51	126.7 Å²	126.7	53%	0.526	66%	0.663	S	S	.	*	S	Bend	trans	89.3	16.2	178	0	0	0	0	0	114.4	Y6 D7	Y6-G10 WeakPolarHBondContact CD1-O 3.25Å; D7-G10 PolarHBondContact O-N 2.99Å; D7-G10 PolarHBondContact OD1-N 3.04Å; D7-G10 VanDerWaalsContact OD1-N 3.12Å
11	N	65.2	Low	55	Low	95 Å²	95	128.9 Å²	128.9	51%	0.508	67%	0.67	S	S	.	*			trans	-88.8	137.9	176.8	-54.9	-45.1	0	0	0	110.7	Y6 D7 I13	Y6-N11 CarbonylContact C-O 3.47Å; Y6-N11 WeakPolarHBondContact CA-O 3.44Å; D7-N11 PolarHBondContact N-O 2.83Å; D7-N11 WeakPolarHBondContact OD1-CB 3.48Å; D7-N11 PolarHBondContact OD1-N 2.95Å; D7-N11 PolarHBondContact OD2-ND2 3.29Å; N11-I13 PolarHBondContact O-N 3.29Å
12	Y	71.8	Confident	54.4	Low	94 Å²	94	124.6 Å²	124.6	37%	0.369	65%	0.652	S	S	.	*	B	Isolated β-bridge	trans	-72.3	127.1	179.7	-174.2	-110.9	0	0	0	111.2	L5 Y6 L17	L5-Y12 HydrophobicContact CB-CD2 4.1Å; L5-Y12 HydrophobicContact CB-CE2 3.68Å; L5-Y12 HydrophobicContact CD1-CE2 4.3Å; L5-Y12 HydrophobicContact CG-CE2 4.46Å; L5-Y12 CarbonylContact O-C 3.56Å; L5-Y12 WeakPolarHBondContact O-CA 3.32Å; L5-Y12 WeakPolarHBondContact O-CD2 3.12Å; Y6-Y12 HydrophobicContact CD1-CD2 4.25Å; Y6-Y12 AromaticContact CD2-CD2 3.98Å; Y6-Y12 HydrophobicContact CD2-CD2 3.98Å; Y6-Y12 AromaticContact CE1-CD2 3.79Å; Y6-Y12 HydrophobicContact CE1-CD2 3.79Å; Y6-Y12 HydrophobicContact CE1-CG 4.13Å; Y6-Y12 AromaticContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CD2 3.49Å; Y6-Y12 VanDerWaalsContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CE2 4.06Å; Y6-Y12 HydrophobicContact CG-CD2 4.34Å; Y6-Y12 AromaticContact CZ-CD2 3.37Å; Y12-L17 HydrophobicContact CE1-CD1 4.12Å; Y12-L17 HydrophobicContact CE1-CG 4.48Å
13	I	75	Confident	53.9	Low	115 Å²	115	125.3 Å²	125.3	59%	0.59	66%	0.661	S	S	*	*			trans	-116.5	13.5	179.6	12.4	166.7	0	0	0	112.6	L5 D7 N11	L5-I13 PolarHBondContact O-N 3.34Å; D7-I13 HydrophobicContact CB-CD1 3.61Å; D7-I13 HydrophobicContact CB-CG1 4.01Å; N11-I13 PolarHBondContact O-N 3.29Å
14	G	68.3	Low	52.9	Low	16 Å²	16	126.9 Å²	126.9	17%	0.165	67%	0.665	C	S	.	*	S	Bend	trans	-72.4	167	173.7	0	0	0	0	0	113.5
15	P	62.1	Low	51.7	Low	105 Å²	105	128 Å²	128	68%	0.682	67%	0.67	S	S	*	*	S	Bend	trans	-59.6	147.3	178.7	26.2	-33.1	0	0	0	111.3	L17	P15-L17 PolarHBondContact O-N 3.22Å
16	E	47	Very low	50.6	Low	198 Å²	198	134.7 Å²	134.7	93%	0.925	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-48.2	121.5	-177.6	-71.3	177.1	173.4	0	0	110.7
17	L	47.9	Very low	48.6	Very low	129 Å²	129	133.2 Å²	133.2	68%	0.675	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-78.3	125.2	171.8	-72.5	162.2	0	0	0	106.9	Y12 P15 S19	Y12-L17 HydrophobicContact CE1-CD1 4.12Å; Y12-L17 HydrophobicContact CE1-CG 4.48Å; P15-L17 PolarHBondContact O-N 3.22Å; L17-S19 PolarHBondContact O-N 3.19Å
18	D	43.9	Very low	46.3	Very low	172 Å²	172	138.1 Å²	138.1	92%	0.92	74%	0.74	S	S	*	*			trans	-57.8	102.9	168.5	-73.9	-36.8	0	0	0	108.4
19	S	34.7	Very low	45.4	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	73%	0.733	S	S	*	*			trans	-100.3	95.7	169.4	56.5	0	0	0	0	108.6	L17	L17-S19 PolarHBondContact O-N 3.19Å
20	D	37.8	Very low	44.1	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	73%	0.734	S	S	*	*			trans	-68.8	142.4	147.1	-76.7	-37	0	0	0	108.3
21	E	37	Very low	42.7	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	75%	0.746	S	S	*	*	S	Bend	trans	90.6	99.6	164.9	-61	178.1	177.2	0	0	118.1
22	D	31.7	Very low	41.2	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	76%	0.761	S	S	*	*			trans	112.9	116.7	132.4	-62.1	-17.8	0	0	0	118.4
23	D	33.3	Very low	39.2	Very low	170 Å²	170	146.8 Å²	146.8	91%	0.909	78%	0.783	S	S	*	*			trans	-77.5	141	-168.1	-79	-47.4	0	0	0	114.8
24	D	30.8	Very low	37.5	Very low	156 Å²	156	150 Å²	150	83%	0.834	80%	0.796	S	S	*	*			trans	-77.2	138.2	160.5	-77	-47.4	0	0	0	111.3
25	L	31.5	Very low	35.7	Very low	171 Å²	171	154 Å²	154	90%	0.895	83%	0.827	S	S	*	*			trans	-147.6	102.8	146.2	-81.9	178.4	0	0	0	109.1
26	E	29.8	Very low	34.5	Very low	201 Å²	201	156.6 Å²	156.6	94%	0.939	84%	0.835	S	S	*	*			trans	-139.9	144.3	145.8	-83.2	-160.6	162	0	0	111.5
27	A	29.9	Very low	33.8	Very low	95 Å²	95	156.3 Å²	156.3	79%	0.785	83%	0.834	S	S	*	*			trans	-71.9	158.5	-170.9	0	0	0	0	0	113.4
28	D	28.2	Very low	33.3	Very low	160 Å²	160	157.2 Å²	157.2	86%	0.856	84%	0.84	S	S	*	*			trans	-136.7	130.7	138.7	-150.2	8.4	0	0	0	109.3
29	D	31.8	Very low	32.7	Very low	146 Å²	146	156.5 Å²	156.5	78%	0.781	84%	0.836	S	S	*	*			trans	-66.8	138.6	174.5	-88.4	-46	0	0	0	110.3
30	R	28.4	Very low	33.1	Very low	223 Å²	223	159.7 Å²	159.7	84%	0.842	84%	0.838	S	S	*	*			trans	-140.5	116.7	144	-80.1	-162.3	-173	167.7	3.3	111.6
31	D	29.9	Very low	32.9	Very low	145 Å²	145	160.7 Å²	160.7	78%	0.775	84%	0.844	S	S	*	*				58.7	101.7	129.6	-60.5	-35.7	0	0	0	117.8
32	V	34	Very low	32.8	Very low	137 Å²	137	161 Å²	161	83%	0.83	85%	0.845	S	S	*	*			trans	-58.7	125.7	147.5	-178	0	0	0	0	108.8
33	D	29.6	Very low	33.5	Very low	155 Å²	155	159.8 Å²	159.8	83%	0.829	85%	0.845	S	S	*	*			trans	-152.3	143.1	140.6	-101.1	-23.5	0	0	0	111.7
34	E	40.7	Very low	33.4	Very low	183 Å²	183	156.6 Å²	156.6	86%	0.855	84%	0.842	S	S	*	*			trans	-50.9	141	-167.5	-60.8	168.1	152.3	0	0	116.6
35	A	29.4	Very low	33.7	Very low	100 Å²	100	157 Å²	157	83%	0.826	85%	0.845	S	S	*	*				-171.5	139.5	128.4	0	0	0	0	0	111.5
36	D	36.9	Very low	34.3	Very low	158 Å²	158	153.3 Å²	153.3	85%	0.845	84%	0.839	S	S	*	*			trans	-41	143.5	174.5	-56.6	-63.1	0	0	0	115.1
37	E	32	Very low	34.6	Very low	192 Å²	192	151.5 Å²	151.5	90%	0.897	84%	0.836	S	S	*	*				-171.2	135.4	118.2	-101.1	170	-169.2	0	0	110.9
38	D	37.9	Very low	35.6	Very low	149 Å²	149	156 Å²	156	80%	0.797	84%	0.841	S	S	*	*			trans	-49.5	143.1	174	-62	-62.1	0	0	0	112.3
39	D	32.3	Very low	36.1	Very low	157 Å²	157	155.6 Å²	155.6	84%	0.84	84%	0.838	S	S	*	*				-173.8	141.9	114.7	-94.5	-30.3	0	0	0	112.6
40	E	42.6	Very low	36.8	Very low	177 Å²	177	154.4 Å²	154.4	83%	0.827	84%	0.836	S	S	*	*			trans	-58.1	142.5	178.3	-59	170.5	147.5	0	0	112.1
41	D	33	Very low	37.9	Very low	174 Å²	174	149.7 Å²	149.7	93%	0.93	83%	0.834	S	S	*	*			trans	-153.7	122.2	141	-97.6	-32.9	0	0	0	112.1
42	E	34.7	Very low	38.5	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.9	161.1	174.4	-83.9	-174.4	157	0	0	112.8
43	P	46.1	Very low	39.7	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-81.1	128	-175.3	32.8	-31.4	0	0	0	111.4
44	A	32.8	Very low	41.4	Very low	103 Å²	103	149.4 Å²	149.4	85%	0.851	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-91.3	131.3	167.5	0	0	0	0	0	110.8
45	D	36	Very low	43.1	Very low	165 Å²	165	146.7 Å²	146.7	88%	0.882	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-50.3	151.9	-171.8	-78.5	-55.9	0	0	0	116.7
46	A	44.3	Very low	45.3	Very low	94 Å²	94	146.5 Å²	146.5	78%	0.777	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.9	169.1	0	0	0	0	0	112.7
47	D	35.3	Very low	47.7	Very low	163 Å²	163	143.3 Å²	143.3	87%	0.872	80%	0.8	S	S	*	*			trans	-105.7	119.9	151.1	-88.2	-34.2	0	0	0	108.6
48	E	52.3	Low	50.2	Low	189 Å²	189	141.4 Å²	141.4	88%	0.883	79%	0.791	S	S	*	*			trans	-70	119.2	166.2	-74.3	-178.9	150.5	0	0	109.6
49	D	38.8	Very low	52.3	Low	151 Å²	151	141.4 Å²	141.4	81%	0.807	79%	0.786	S	S	*	*			trans	-148.5	109.3	158.5	-101.5	-33.6	0	0	0	112.1
50	V	45.3	Very low	54.8	Low	121 Å²	121	138.7 Å²	138.7	73%	0.733	77%	0.771	S	S	*	*			trans	45.2	127.7	150.2	-164.3	0	0	0	0	119.7	G52	V50-G52 PolarHBondContact O-N 3.33Å
51	P	52.1	Low	56.9	Low	124 Å²	124	135.4 Å²	135.4	81%	0.805	75%	0.754	S	S	*	*			trans	-68.2	104.9	177.8	29.2	-32.8	0	0	0	110.7	M53	P51-M53 PolarHBondContact O-N 3.09Å
52	G	43.2	Very low	59.2	Low	63 Å²	63	135.6 Å²	135.6	65%	0.649	75%	0.747	S	S	*	*			trans	-60.8	126.4	162.2	0	0	0	0	0	108.8	V50 E54	V50-G52 PolarHBondContact O-N 3.33Å; G52-E54 PolarHBondContact O-N 3.13Å
53	M	58.6	Low	61.6	Low	189 Å²	189	133.2 Å²	133.2	93%	0.931	73%	0.731	S	S	*	*			trans	-66.5	83.8	161.9	-92.2	176.2	142.1	0	0	107.4	P51 V55	P51-M53 PolarHBondContact O-N 3.09Å; M53-V55 PolarHBondContact O-N 2.87Å
54	E	66.5	Low	63.6	Low	180 Å²	180	136.9 Å²	136.9	84%	0.841	73%	0.73	S	S	*	*			trans	-65.1	115.7	163.7	-74.4	-179.1	164.8	0	0	107.3	G52 V56	G52-E54 PolarHBondContact O-N 3.13Å; E54-V56 PolarHBondContact O-N 3.24Å
55	V	75.9	Confident	66.2	Low	126 Å²	126	135.9 Å²	135.9	76%	0.764	72%	0.715	S	S	*	*			trans	-78.6	107.2	178.6	177.7	0	0	0	0	107	M53 L57	M53-V55 PolarHBondContact O-N 2.87Å; V55-L57 PolarHBondContact O-N 3.15Å
56	V	75.3	Confident	68.6	Low	95 Å²	95	130.9 Å²	130.9	58%	0.576	69%	0.691	S	S	*	*			trans	-72.1	122.6	169.7	-173.4	0	0	0	0	107.9	E54 D60 K61	E54-V56 PolarHBondContact O-N 3.24Å; V56-D60 HydrophobicContact CG1-CB 3.96Å; V56-D60 WeakPolarHBondContact CG1-O 3.21Å; V56-K61 HydrophobicContact CG1-CB 4.44Å
57	L	87.7	Confident	70.7	Confident	91 Å²	91	128.4 Å²	128.4	48%	0.476	67%	0.67	S	S	.	*			trans	-60.6	159.5	174.9	-63.1	173.6	0	0	0	110.1	V55 E59 D60 K61	V55-L57 PolarHBondContact O-N 3.15Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 HydrophobicContact CB-CG 4.06Å; L57-E59 WeakPolarHBondContact CD1-OE1 3.48Å; L57-E59 PolarHBondContact O-N 3.05Å; L57-D60 PolarHBondContact O-N 2.96Å; L57-K61 PolarHBondContact O-N 3.39Å
58	H	82.8	Confident	73.2	Confident	152 Å²	152	126.8 Å²	126.8	70%	0.704	66%	0.657	S	S	*	*	S	Bend	trans	-65.5	-34	-176.4	-175.1	55.8	0	0	0	112.3	K61 Y63	H58-K61 WeakPolarHBondContact O-CB 3.41Å; H58-Y63 PolarHBondContact CE1-OH 3.12Å; H58-Y63 PolarHBondContact ND1-OH 3.16Å
59	E	83.8	Confident	74.9	Confident	150 Å²	150	124.3 Å²	124.3	70%	0.701	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-41.3	176.3	62.5	-144	144.4	0	0	112.7	L57 K61	L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 HydrophobicContact CB-CG 4.06Å; L57-E59 WeakPolarHBondContact CD1-OE1 3.48Å; L57-E59 PolarHBondContact O-N 3.05Å; E59-K61 PolarHBondContact O-N 3.38Å
60	D	84.7	Confident	77.3	Confident	99 Å²	99	121.1 Å²	121.1	53%	0.529	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	3.3	179.6	-60.8	-40.4	0	0	0	113.9	V56 L57 K62	V56-D60 HydrophobicContact CG1-CB 3.96Å; V56-D60 WeakPolarHBondContact CG1-O 3.21Å; L57-D60 PolarHBondContact O-N 2.96Å; D60-K62 PolarHBondContact O-N 3.07Å
61	K	86.4	Confident	79.4	Confident	108 Å²	108	122.8 Å²	122.8	47%	0.47	63%	0.626	S	S	.	*			trans	-71.1	93.3	-177	-170.7	162.3	178.5	176.9	0	109.9	V56 L57 H58 E59 Y63	V56-K61 HydrophobicContact CG1-CB 4.44Å; L57-K61 PolarHBondContact O-N 3.39Å; H58-K61 WeakPolarHBondContact O-CB 3.41Å; E59-K61 PolarHBondContact O-N 3.38Å; K61-Y63 HydrophobicContact CB-CE2 3.95Å; K61-Y63 HydrophobicContact CD-CD1 4.46Å; K61-Y63 HydrophobicContact CD-CE1 3.7Å; K61-Y63 HydrophobicContact CD-CE2 4.45Å; K61-Y63 HydrophobicContact CG-CD1 4.28Å; K61-Y63 HydrophobicContact CG-CD2 4.43Å; K61-Y63 HydrophobicContact CG-CE1 3.88Å; K61-Y63 HydrophobicContact CG-CE2 4.03Å; K61-Y63 WeakPolarHBondContact O-CD2 3.3Å; K61-Y63 WeakPolarHBondContact O-CE2 3.48Å; K61-Y63 PolarHBondContact O-N 3.21Å
62	K	80.8	Confident	81.1	Confident	179 Å²	179	117.9 Å²	117.9	78%	0.778	60%	0.598	S	S	*	*			trans	-65.5	97.5	168.9	-66.5	-175.3	-179.4	-178.3	0	109.8	D60 Y64	D60-K62 PolarHBondContact O-N 3.07Å; K62-Y64 VanDerWaalsContact C-N 3.31Å
63	Y	85.6	Confident	83.1	Confident	132 Å²	132	120.6 Å²	120.6	52%	0.518	60%	0.604	S	S	.	*			trans	-73.5	-24.8	179.2	-67.4	-83.4	0	0	0	113	H58 K61	H58-Y63 PolarHBondContact CE1-OH 3.12Å; H58-Y63 PolarHBondContact ND1-OH 3.16Å; K61-Y63 HydrophobicContact CB-CE2 3.95Å; K61-Y63 HydrophobicContact CD-CD1 4.46Å; K61-Y63 HydrophobicContact CD-CE1 3.7Å; K61-Y63 HydrophobicContact CD-CE2 4.45Å; K61-Y63 HydrophobicContact CG-CD1 4.28Å; K61-Y63 HydrophobicContact CG-CD2 4.43Å; K61-Y63 HydrophobicContact CG-CE1 3.88Å; K61-Y63 HydrophobicContact CG-CE2 4.03Å; K61-Y63 WeakPolarHBondContact O-CD2 3.3Å; K61-Y63 WeakPolarHBondContact O-CE2 3.48Å; K61-Y63 PolarHBondContact O-N 3.21Å
64	Y	88.5	Confident	84.6	Confident	200 Å²	200	121 Å²	121	78%	0.784	60%	0.604	S	S	*	*	S	Bend	trans	-129.8	144	-175.6	-58.3	-70.8	0	0	0	110.4	K62	K62-Y64 VanDerWaalsContact C-N 3.31Å
65	P	86.3	Confident	85.6	Confident	82 Å²	82	115.9 Å²	115.9	53%	0.532	59%	0.585	S	S	.	*			trans	-62.5	156	170.7	27.7	-33.7	0	0	0	110.4	E69 V70	P65-E69 WeakPolarHBondContact CA-OE2 3.38Å; P65-E69 HydrophobicContact CB-CB 4.32Å; P65-E69 VanDerWaalsContact CB-OE2 3.23Å; P65-E69 WeakPolarHBondContact CB-OE2 3.4Å; P65-V70 HydrophobicContact CB-CG2 4.25Å; P65-V70 HydrophobicContact CG-CG2 3.75Å
66	T	87.6	Confident	86.2	Confident	61 Å²	61	117.7 Å²	117.7	37%	0.374	59%	0.585	S	S	.	*			trans	-67.7	155.2	-179.5	62.8	0	0	0	0	110.3	E68 E69 V70	T66-E68 PolarHBondContact O-N 2.72Å; T66-E69 PolarHBondContact N-OE2 3.43Å; T66-E69 VanDerWaalsContact N-OE2 3.15Å; T66-E69 WeakPolarHBondContact O-CB 3.46Å; T66-E69 PolarHBondContact O-N 3.13Å; T66-E69 VanDerWaalsContact O-N 3.12Å; T66-E69 VanDerWaalsContact OG1-CD 3.24Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.39Å; T66-V70 WeakPolarHBondContact O-CG2 3.46Å; T66-V70 PolarHBondContact O-N 3.39Å; T66-V70 VanDerWaalsContact O-N 3.17Å
67	A	87.5	Confident	86.8	Confident	42 Å²	42	116 Å²	116	35%	0.347	58%	0.575	S	S	.	*	H	α-helix	trans	-62.6	-31.7	-177.8	0	0	0	0	0	112.6	V70 Y71 T77	A67-V70 PolarHBondContact O-N 2.89Å; A67-Y71 VanDerWaalsContact O-CD2 3.25Å; A67-Y71 WeakPolarHBondContact O-CD2 3.43Å; A67-Y71 PolarHBondContact O-N 3.05Å; A67-T77 HydrophobicContact CB-CG2 3.62Å
68	E	87.7	Confident	86.8	Confident	128 Å²	128	117 Å²	117	60%	0.598	58%	0.58	S	S	*	*	H	α-helix	trans	-66.5	-38.3	174.6	-168.1	175.2	-176.4	0	0	112.4	T66 V70 G72	T66-E68 PolarHBondContact O-N 2.72Å; E68-V70 VanDerWaalsContact C-N 3.26Å; E68-V70 PolarHBondContact O-N 2.76Å; E68-G72 WeakPolarHBondContact O-CA 3.45Å; E68-G72 PolarHBondContact O-N 3.15Å
69	E	87.3	Confident	87.1	Confident	137 Å²	137	114.9 Å²	114.9	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-65.9	-30	173.3	-72.9	166.8	-175.5	0	0	112.5	P65 T66	P65-E69 WeakPolarHBondContact CA-OE2 3.38Å; P65-E69 HydrophobicContact CB-CB 4.32Å; P65-E69 VanDerWaalsContact CB-OE2 3.23Å; P65-E69 WeakPolarHBondContact CB-OE2 3.4Å; T66-E69 PolarHBondContact N-OE2 3.43Å; T66-E69 VanDerWaalsContact N-OE2 3.15Å; T66-E69 WeakPolarHBondContact O-CB 3.46Å; T66-E69 PolarHBondContact O-N 3.13Å; T66-E69 VanDerWaalsContact O-N 3.12Å; T66-E69 VanDerWaalsContact OG1-CD 3.24Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.39Å
70	V	90.2	Very high	87.3	Confident	85 Å²	85	114.6 Å²	114.6	52%	0.515	58%	0.576	S	S	.	*	H	α-helix	trans	-79.5	-43.5	-178.9	175.3	0	0	0	0	111.8	P65 T66 A67 E68	P65-V70 HydrophobicContact CB-CG2 4.25Å; P65-V70 HydrophobicContact CG-CG2 3.75Å; T66-V70 WeakPolarHBondContact O-CG2 3.46Å; T66-V70 PolarHBondContact O-N 3.39Å; T66-V70 VanDerWaalsContact O-N 3.17Å; A67-V70 PolarHBondContact O-N 2.89Å; E68-V70 VanDerWaalsContact C-N 3.26Å; E68-V70 PolarHBondContact O-N 2.76Å
71	Y	88.3	Confident	87.7	Confident	155 Å²	155	118.4 Å²	118.4	61%	0.608	59%	0.591	S	S	*	*	H	α-helix	trans	-99.1	-17.6	-174.2	-64.5	-69.3	0	0	0	114	A67	A67-Y71 VanDerWaalsContact O-CD2 3.25Å; A67-Y71 WeakPolarHBondContact O-CD2 3.43Å; A67-Y71 PolarHBondContact O-N 3.05Å
72	G	88.1	Confident	87.9	Confident	22 Å²	22	121.4 Å²	121.4	23%	0.227	61%	0.607	C	S	.	*			trans	84.1	165.9	-178.4	0	0	0	0	0	113.4	E68 E74 V75	E68-G72 WeakPolarHBondContact O-CA 3.45Å; E68-G72 PolarHBondContact O-N 3.15Å; G72-E74 PolarHBondContact O-N 3.18Å; G72-E74 VanDerWaalsContact O-N 3.13Å; G72-V75 PolarHBondContact O-N 2.96Å; G72-V75 VanDerWaalsContact O-N 3.16Å
73	P	86.4	Confident	88.2	Confident	120 Å²	120	120.2 Å²	120.2	78%	0.779	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-9.6	-173.6	29.5	-36.4	0	0	0	114	V75	P73-V75 VanDerWaalsContact C-N 3.31Å
74	E	88.6	Confident	88.3	Confident	196 Å²	196	119.1 Å²	119.1	92%	0.916	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-13.3	175.2	-64.1	-175.4	179.7	0	0	112.7	G72	G72-E74 PolarHBondContact O-N 3.18Å; G72-E74 VanDerWaalsContact O-N 3.13Å
75	V	87.6	Confident	88.4	Confident	74 Å²	74	113.7 Å²	113.7	45%	0.448	61%	0.609	S	S	.	*	S	Bend	trans	-114.4	110.7	-176.3	-178.3	0	0	0	0	110.1	G72 P73 T77	G72-V75 PolarHBondContact O-N 2.96Å; G72-V75 VanDerWaalsContact O-N 3.16Å; P73-V75 VanDerWaalsContact C-N 3.31Å; V75-T77 PolarHBondContact O-N 3.47Å
76	E	88.6	Confident	88.6	Confident	163 Å²	163	113.4 Å²	113.4	76%	0.762	61%	0.607	S	S	*	*			trans	-68.1	112.5	172.7	-172.8	-179.6	-164.5	0	0	109.7	L78	E76-L78 HydrophobicContact CG-CD2 4.06Å; E76-L78 HydrophobicContact CG-CG 4.21Å
77	T	87.6	Confident	88.7	Confident	59 Å²	59	119.2 Å²	119.2	36%	0.362	64%	0.635	S	S	.	*			trans	-92.6	112	174.1	-54	0	0	0	0	109.3	A67 V75	A67-T77 HydrophobicContact CB-CG2 3.62Å; V75-T77 PolarHBondContact O-N 3.47Å
78	L	87.7	Confident	88.9	Confident	112 Å²	112	123.4 Å²	123.4	59%	0.586	66%	0.657	S	S	*	*			trans	-97.3	122.5	175.1	-63	173.4	0	0	0	110.2	E76	E76-L78 HydrophobicContact CG-CD2 4.06Å; E76-L78 HydrophobicContact CG-CG 4.21Å
79	V	89.6	Confident	89	Confident	108 Å²	108	120.9 Å²	120.9	66%	0.655	65%	0.645	S	S	*	*			trans	-100.3	118.8	167.6	-174.3	0	0	0	0	107.1	E81	V79-E81 HydrophobicContact CG1-CG 3.95Å
80	Q	89.1	Confident	89.2	Confident	144 Å²	144	117.2 Å²	117.2	67%	0.673	63%	0.633	S	S	*	*			trans	-122.8	99.8	-178.7	-65.3	-71.3	-43.2	0	0	107.5
81	E	91.8	Very high	89.2	Confident	179 Å²	179	120.4 Å²	120.4	84%	0.836	65%	0.646	S	S	*	*			trans	-89.6	-29.2	-176.1	-56.7	-167.5	159.3	0	0	112.2	V79	V79-E81 HydrophobicContact CG1-CG 3.95Å
82	E	91.1	Very high	89.4	Confident	172 Å²	172	120.2 Å²	120.2	80%	0.804	65%	0.653	S	S	*	*	S	Bend	trans	-120	154.2	179.3	-59.6	-165.6	157.3	0	0	112
83	D	87.9	Confident	89.5	Confident	153 Å²	153	126.2 Å²	126.2	82%	0.818	67%	0.673	S	S	*	*			trans	-74	133.3	176.1	-70.6	-33.2	0	0	0	110.5	Q85	D83-Q85 PolarHBondContact O-N 3.24Å; D83-Q85 VanDerWaalsContact O-N 3.11Å
84	A	87.4	Confident	89.7	Confident	110 Å²	110	124 Å²	124	91%	0.909	66%	0.659	S	S	*	*	S	Bend	trans	-67.2	-10.3	178.1	0	0	0	0	0	114.8
85	Q	89.2	Confident	89.8	Confident	85 Å²	85	121.4 Å²	121.4	40%	0.397	66%	0.656	S	S	.	*	S	Bend	trans	-142.7	143.8	178.7	68.1	-176.7	4.9	0	0	111.2	D83	D83-Q85 PolarHBondContact O-N 3.24Å; D83-Q85 VanDerWaalsContact O-N 3.11Å
86	P	90.5	Very high	89.6	Confident	77 Å²	77	127.6 Å²	127.6	50%	0.5	67%	0.671	S	S	.	*			trans	-72.1	154.9	179.6	30.5	-35.5	0	0	0	111.8	T88 E89	P86-T88 PolarHBondContact O-N 2.86Å; P86-E89 HydrophobicContact CG-CB 4.48Å; P86-E89 PolarHBondContact O-N 2.94Å
87	L	91.3	Very high	89.4	Confident	182 Å²	182	127 Å²	127	95%	0.953	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-22.3	179.1	-171.9	65.1	0	0	0	114	E89	L87-E89 VanDerWaalsContact C-N 3.32Å
88	T	91.8	Very high	89.3	Confident	131 Å²	131	128.8 Å²	128.8	80%	0.804	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-24.5	176.2	49.5	0	0	0	0	113.2	P86 P90	P86-T88 PolarHBondContact O-N 2.86Å; T88-P90 WeakPolarHBondContact O-CD 3.17Å
89	E	89.4	Confident	89.2	Confident	74 Å²	74	128.2 Å²	128.2	35%	0.346	67%	0.67	S	S	.	*	S	Bend	trans	-84.4	116.6	174.2	-173.3	164.7	-170.7	0	0	109.7	P86 L87 I91 K93	P86-E89 HydrophobicContact CG-CB 4.48Å; P86-E89 PolarHBondContact O-N 2.94Å; L87-E89 VanDerWaalsContact C-N 3.32Å; E89-I91 PolarHBondContact O-N 3.23Å; E89-K93 WeakPolarHBondContact OE1-CE 3.44Å; E89-K93 IonicContact OE1-NZ 3.02Å; E89-K93 PolarHBondContact OE1-NZ 3.42Å
90	P	90.6	Very high	89.2	Confident	60 Å²	60	124.8 Å²	124.8	39%	0.39	65%	0.647	S	S	.	*			trans	-72	134.3	-178.1	29.3	-34.4	0	0	0	110.9	T88 I92	T88-P90 WeakPolarHBondContact O-CD 3.17Å; P90-I92 PolarHBondContact O-N 3.45Å
91	I	91.2	Very high	89.2	Confident	153 Å²	153	118.4 Å²	118.4	79%	0.785	62%	0.618	S	S	*	*	S	Bend	trans	-54.5	-41.1	175.8	-58.2	173.6	0	0	0	111.3	E89	E89-I91 PolarHBondContact O-N 3.23Å
92	I	92	Very high	89	Confident	150 Å²	150	112.3 Å²	112.3	77%	0.769	59%	0.591	S	S	*	*	S	Bend	trans	-108.8	109	172.9	-59.4	174	0	0	0	107.8	P90	P90-I92 PolarHBondContact O-N 3.45Å
93	K	90	Very high	88.8	Confident	148 Å²	148	105.6 Å²	105.6	64%	0.643	56%	0.56	S	S	*	*			trans	-63.7	124.5	179.8	-66.5	-172.8	178.9	-170.9	0	110	E89	E89-K93 WeakPolarHBondContact OE1-CE 3.44Å; E89-K93 IonicContact OE1-NZ 3.02Å; E89-K93 PolarHBondContact OE1-NZ 3.42Å
94	P	91.4	Very high	88.6	Confident	73 Å²	73	101.3 Å²	101.3	47%	0.474	54%	0.535	S	S	.	.			trans	-66.3	144.9	175.6	27.9	-33.9	0	0	0	109.9	R96	P94-R96 HydrophobicContact CG-CG 4.39Å; P94-R96 PolarHBondContact O-N 3.21Å
95	V	89.7	Confident	88.2	Confident	143 Å²	143	104.8 Å²	104.8	87%	0.867	53%	0.532	S	S	*	.			trans	-66.9	109.8	172.7	-176.1	0	0	0	0	108
96	R	84.6	Confident	88.1	Confident	203 Å²	203	108.8 Å²	108.8	77%	0.766	55%	0.551	S	S	*	*			trans	-111.9	123.3	175.9	-68.1	-176.8	178.4	179.2	2.2	108.6	P94	P94-R96 HydrophobicContact CG-CG 4.39Å; P94-R96 PolarHBondContact O-N 3.21Å
97	N	84.3	Confident	88.1	Confident	151 Å²	151	109.5 Å²	109.5	81%	0.807	55%	0.55	S	S	*	.			trans	-90	117.2	169.1	-65.6	-15.8	0	0	0	107.5
98	K	83.9	Confident	88.1	Confident	97 Å²	97	101.8 Å²	101.8	42%	0.422	51%	0.511	S	S	.	.			trans	-79.8	121.2	173.9	-61.5	-176.4	-173.7	-170.7	0	107.8	F100 E648	K98-F100 HydrophobicContact CB-CE2 3.99Å; K98-F100 HydrophobicContact CB-CZ 4.3Å; K98-F100 HydrophobicContact CD-CE2 4.47Å; K98-E648 WeakPolarHBondContact CD-OE1 3.4Å; K98-E648 WeakPolarHBondContact CE-OE1 3.24Å; K98-E648 WeakPolarHBondContact CE-OE2 3.39Å; K98-E648 IonicContact NZ-OE1 2.73Å; K98-E648 PolarHBondContact NZ-OE1 3.16Å; K98-E648 IonicContact NZ-OE2 3.99Å; K98-E648 PolarHBondContact NZ-OE2 3.37Å
99	Q	87.4	Confident	88.2	Confident	99 Å²	99	97.9 Å²	97.9	46%	0.463	49%	0.489	S	S	.	.			trans	-136.6	118	175.8	-169.9	173.1	20.4	0	0	106.8	T101 F170	Q99-T101 WeakPolarHBondContact CG-O 3.36Å; Q99-T101 PolarHBondContact NE2-O 2.81Å; Q99-F170 HydrophobicContact CG-CE2 4.43Å; Q99-F170 VanDerWaalsContact O-CE2 3.29Å; Q99-F170 WeakPolarHBondContact O-CE2 3.48Å
100	F	89	Confident	88.4	Confident	37 Å²	37	95.9 Å²	95.9	16%	0.162	48%	0.482	C	S	.	.			trans	-110.9	-14.5	178.9	-59.3	-68.8	0	0	0	113	K98 F170 E483 K644 M645	K98-F100 HydrophobicContact CB-CE2 3.99Å; K98-F100 HydrophobicContact CB-CZ 4.3Å; K98-F100 HydrophobicContact CD-CE2 4.47Å; F100-F170 WeakPolarHBondContact O-CD2 3.43Å; F100-F170 PolarHBondContact O-N 3.47Å; F100-E483 VanDerWaalsContact CD2-O 3.29Å; F100-E483 WeakPolarHBondContact CD2-O 3.36Å; F100-E483 PolarHBondContact N-O 3.19Å; F100-K644 WeakPolarHBondContact CE1-O 3.42Å; F100-K644 VanDerWaalsContact CZ-O 3.27Å; F100-K644 WeakPolarHBondContact CZ-O 3.34Å; F100-M645 HydrophobicContact CB-CE 3.88Å; F100-M645 HydrophobicContact CB-CG 4.27Å; F100-M645 HydrophobicContact CB-SD 4.41Å; F100-M645 HydrophobicContact CD1-CG 3.82Å; F100-M645 HydrophobicContact CD2-CB 4.36Å; F100-M645 HydrophobicContact CD2-CE 4.43Å; F100-M645 HydrophobicContact CD2-CG 4.24Å; F100-M645 HydrophobicContact CE1-CG 4.18Å; F100-M645 HydrophobicContact CE2-CB 4.38Å; F100-M645 HydrophobicContact CG-CB 4.46Å; F100-M645 HydrophobicContact CG-CE 4.25Å; F100-M645 HydrophobicContact CG-CG 3.85Å; F100-M645 HydrophobicContact CZ-CB 4.49Å
101	T	89.2	Confident	88.6	Confident	9 Å²	9	97.5 Å²	97.5	6%	0.055	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-122.3	144	-178.6	48.2	0	0	0	0	110.8	Q99 M103 I168 L169 E483	Q99-T101 WeakPolarHBondContact CG-O 3.36Å; Q99-T101 PolarHBondContact NE2-O 2.81Å; T101-M103 PolarHBondContact O-N 2.65Å; T101-I168 CarbonylContact C-O 3.55Å; T101-I168 WeakPolarHBondContact CA-O 3.48Å; T101-I168 HydrophobicContact CG2-CD1 4.39Å; T101-I168 HydrophobicContact CG2-CG1 4.45Å; T101-L169 HydrophobicContact CG2-CD2 3.48Å; T101-L169 VanDerWaalsContact CG2-CD2 3.48Å; T101-L169 HydrophobicContact CG2-CG 4.34Å; T101-E483 WeakPolarHBondContact OG1-CA 3.33Å; T101-E483 WeakPolarHBondContact OG1-CG 3.27Å
102	L	87.8	Confident	88.8	Confident	51 Å²	51	91 Å²	91	27%	0.267	46%	0.456	S	S	.	.			trans	-84.4	90.6	171.3	-162.8	155.8	0	0	0	109.1	I168 F170	L102-I168 PolarHBondContact N-O 3.29Å; L102-F170 HydrophobicContact CB-CE1 4.15Å; L102-F170 HydrophobicContact CD1-CE1 4.44Å
103	M	85.7	Confident	88.9	Confident	32 Å²	32	89.8 Å²	89.8	16%	0.158	45%	0.451	C	S	.	.			trans	-111.7	143.4	178.8	-67.3	-70.2	-79.2	0	0	110.9	T101 E483 R534 Q536	T101-M103 PolarHBondContact O-N 2.65Å; M103-E483 HydrophobicContact CB-CG 4.19Å; M103-E483 WeakPolarHBondContact CB-OE1 3.46Å; M103-E483 HydrophobicContact CG-CG 3.84Å; M103-E483 WeakPolarHBondContact CG-OE1 3.41Å; M103-R534 CarbonylContact C-O 3.55Å; M103-R534 VanDerWaalsContact CA-O 3.29Å; M103-R534 WeakPolarHBondContact CA-O 3.46Å; M103-Q536 HydrophobicContact CE-CG 3.89Å; M103-Q536 VanDerWaalsContact CE-NE2 3.28Å
104	E	84.9	Confident	89.1	Confident	62 Å²	62	85.1 Å²	85.1	29%	0.29	43%	0.432	S	S	.	.			trans	-102.7	119.6	177.3	-66.8	170.8	-166.3	0	0	108	R534	E104-R534 HydrophobicContact CG-CB 4.31Å; E104-R534 PolarHBondContact N-O 3.43Å
105	Q	78.6	Confident	89.2	Confident	184 Å²	184	89.2 Å²	89.2	86%	0.86	45%	0.445	S	S	*	.	S	Bend	trans	-76.8	-29.5	-179	-66.5	-174.3	-4.7	0	0	112.8
106	E	87.4	Confident	89.6	Confident	168 Å²	168	86.5 Å²	86.5	79%	0.785	42%	0.422	S	S	*	.	S	Bend	trans	-95.6	141.6	177.8	-66.3	-174.2	174.6	0	0	110.2	P108	E106-P108 WeakPolarHBondContact O-CD 3.24Å
107	L	89.9	Confident	90.1	Very high	92 Å²	92	77 Å²	77	48%	0.482	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.6	123.9	177	-63.1	177	0	0	0	109.9	Y535 I537	L107-Y535 HydrophobicContact CD2-CD2 3.47Å; L107-Y535 VanDerWaalsContact CD2-CD2 3.47Å; L107-Y535 HydrophobicContact CD2-CE2 3.98Å; L107-Y535 HydrophobicContact CD2-CG 4.42Å; L107-I537 HydrophobicContact CD2-CG1 4.16Å
108	P	91.9	Very high	90.6	Very high	21 Å²	21	71.7 Å²	71.7	14%	0.136	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-70.6	159.6	177.9	29.4	-35	0	0	0	111.7	E106 I155 Y535	E106-P108 WeakPolarHBondContact O-CD 3.24Å; P108-I155 HydrophobicContact CB-CD1 4.28Å; P108-I155 HydrophobicContact CG-CD1 4.45Å; P108-Y535 HydrophobicContact CG-CD1 3.52Å; P108-Y535 HydrophobicContact CG-CE1 3.39Å; P108-Y535 HydrophobicContact CG-CE2 4.45Å; P108-Y535 HydrophobicContact CG-CG 4.13Å
109	S	92.6	Very high	91.2	Very high	49 Å²	49	72 Å²	72	34%	0.343	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-73	129.2	175.6	69.8	0	0	0	0	111.6	E154	S109-E154 WeakPolarHBondContact OG-CG 3.34Å; S109-E154 PolarHBondContact OG-OE1 3.35Å
110	T	94.7	Very high	91.7	Very high	32 Å²	32	67.7 Å²	67.7	20%	0.196	35%	0.35	C	S	.	.			trans	-113.3	159.9	-179.1	44.1	0	0	0	0	111.6	Y112 M114 T151 H152	T110-Y112 WeakPolarHBondContact CB-O 3.36Å; T110-Y112 HydrophobicContact CG2-CE2 4.27Å; T110-Y112 PolarHBondContact O-N 2.86Å; T110-Y112 PolarHBondContact OG1-O 3.32Å; T110-M114 HydrophobicContact CG2-CE 3.76Å; T110-T151 CarbonylContact C-O 3.59Å; T110-T151 WeakPolarHBondContact CA-O 3.37Å; T110-H152 VanDerWaalsContact CG2-NE2 3.25Å; T110-H152 WeakPolarHBondContact CG2-NE2 3.41Å
111	V	94.7	Very high	92	Very high	94 Å²	94	66.1 Å²	66.1	57%	0.57	34%	0.343	S	S	*	.	S	Bend	trans	-72.8	-17.6	172	-62.7	0	0	0	0	113.4	T151 P153	V111-T151 PolarHBondContact N-O 3.4Å; V111-P153 HydrophobicContact CG1-CG 3.76Å
112	Y	94.6	Very high	92.4	Very high	17 Å²	17	68.6 Å²	68.6	7%	0.067	36%	0.356	C	S	.	.	S	Bend	trans	-117	155.6	176.8	55.7	-99.3	0	0	0	110.3	T110 M114 L117 T151 M186 V187	T110-Y112 WeakPolarHBondContact CB-O 3.36Å; T110-Y112 HydrophobicContact CG2-CE2 4.27Å; T110-Y112 PolarHBondContact O-N 2.86Å; T110-Y112 PolarHBondContact OG1-O 3.32Å; Y112-M114 HydrophobicContact CE2-SD 4.38Å; Y112-L117 HydrophobicContact CD2-CB 4.42Å; Y112-L117 HydrophobicContact CE2-CB 4.32Å; Y112-L117 HydrophobicContact CE2-CD1 3.66Å; Y112-T151 HydrophobicContact CE1-CG2 4.03Å; Y112-M186 HydrophobicContact CE1-CB 4.46Å; Y112-M186 WeakPolarHBondContact OH-CA 3.28Å; Y112-V187 HydrophobicContact CD1-CB 3.7Å; Y112-V187 HydrophobicContact CD1-CG2 4.35Å; Y112-V187 HydrophobicContact CD2-CB 4.27Å; Y112-V187 HydrophobicContact CD2-CG2 4.05Å; Y112-V187 HydrophobicContact CE1-CB 3.92Å; Y112-V187 HydrophobicContact CE1-CG2 4.44Å; Y112-V187 HydrophobicContact CE2-CB 4.5Å; Y112-V187 HydrophobicContact CE2-CG2 4.17Å; Y112-V187 HydrophobicContact CG-CB 3.89Å; Y112-V187 HydrophobicContact CG-CG2 4.16Å
113	D	94.9	Very high	92.7	Very high	124 Å²	124	68.6 Å²	68.6	66%	0.663	36%	0.36	S	S	*	.			trans	-81.4	145.7	175.3	-63.2	-43.2	0	0	0	111.2	E115 F116 L117	D113-E115 VanDerWaalsContact C-N 3.26Å; D113-E115 PolarHBondContact O-N 2.99Å; D113-F116 HydrophobicContact CB-CB 4.45Å; D113-F116 WeakPolarHBondContact O-CB 3.46Å; D113-F116 PolarHBondContact O-N 2.95Å; D113-F116 VanDerWaalsContact O-N 3.12Å; D113-L117 PolarHBondContact O-N 3.28Å; D113-L117 VanDerWaalsContact O-N 3.16Å
114	M	93.6	Very high	93.1	Very high	50 Å²	50	67.7 Å²	67.7	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-28.8	179.3	-59.4	-60.6	177	0	0	112.4	T110 Y112 L117 A118 Y535 I537	T110-M114 HydrophobicContact CG2-CE 3.76Å; Y112-M114 HydrophobicContact CE2-SD 4.38Å; M114-L117 WeakPolarHBondContact O-CB 3.29Å; M114-L117 PolarHBondContact O-N 3.44Å; M114-A118 PolarHBondContact O-N 3.49Å; M114-A118 VanDerWaalsContact O-N 3.07Å; M114-Y535 HydrophobicContact CE-CE2 4.37Å; M114-I537 HydrophobicContact CE-CD1 4.48Å; M114-I537 HydrophobicContact SD-CD1 3.67Å; M114-I537 HydrophobicContact SD-CG1 4.38Å
115	E	94.8	Very high	93.6	Very high	158 Å²	158	70.8 Å²	70.8	74%	0.738	37%	0.371	S	S	*	.	H	α-helix	trans	-63	-42.6	171.5	-66.8	-177.9	177	0	0	111.1	D113 L117 A118 D119	D113-E115 VanDerWaalsContact C-N 3.26Å; D113-E115 PolarHBondContact O-N 2.99Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.23Å; E115-A118 PolarHBondContact O-N 3.37Å; E115-A118 VanDerWaalsContact O-N 3.14Å; E115-D119 PolarHBondContact O-N 3.14Å
116	F	96.5	Very high	94.5	Very high	86 Å²	86	63.5 Å²	63.5	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-34.4	176.9	-177.2	-115.7	0	0	0	112.3	D113 L120 V187	D113-F116 HydrophobicContact CB-CB 4.45Å; D113-F116 WeakPolarHBondContact O-CB 3.46Å; D113-F116 PolarHBondContact O-N 2.95Å; D113-F116 VanDerWaalsContact O-N 3.12Å; F116-L120 HydrophobicContact CD1-CD1 4.15Å; F116-L120 HydrophobicContact CE1-CD1 3.69Å; F116-L120 HydrophobicContact CE1-CG 4.31Å; F116-L120 HydrophobicContact CE2-CG 4.35Å; F116-L120 HydrophobicContact CZ-CD1 3.92Å; F116-L120 HydrophobicContact CZ-CD2 4.28Å; F116-L120 HydrophobicContact CZ-CG 4.14Å; F116-L120 WeakPolarHBondContact O-CG 3.28Å; F116-L120 PolarHBondContact O-N 3.47Å; F116-L120 VanDerWaalsContact O-N 3.08Å; F116-V187 HydrophobicContact CD1-CG1 4.33Å; F116-V187 HydrophobicContact CE1-CG1 3.94Å
117	L	96.2	Very high	95	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-47	171.7	-176.3	154.7	0	0	0	110.6	Y112 D113 M114 E115 L120 M121 T185 V187 L197 I537	Y112-L117 HydrophobicContact CD2-CB 4.42Å; Y112-L117 HydrophobicContact CE2-CB 4.32Å; Y112-L117 HydrophobicContact CE2-CD1 3.66Å; D113-L117 PolarHBondContact O-N 3.28Å; D113-L117 VanDerWaalsContact O-N 3.16Å; M114-L117 WeakPolarHBondContact O-CB 3.29Å; M114-L117 PolarHBondContact O-N 3.44Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.23Å; L117-L120 PolarHBondContact O-N 3.06Å; L117-M121 HydrophobicContact CD2-CG 4.28Å; L117-M121 HydrophobicContact CD2-SD 3.67Å; L117-M121 WeakPolarHBondContact O-CG 3.31Å; L117-M121 PolarHBondContact O-N 3.22Å; L117-M121 VanDerWaalsContact O-N 3.13Å; L117-T185 HydrophobicContact CD1-CG2 4.41Å; L117-V187 HydrophobicContact CB-CG2 4.07Å; L117-V187 HydrophobicContact CD1-CG2 4.29Å; L117-V187 HydrophobicContact CG-CG2 4.16Å; L117-L197 HydrophobicContact CD2-CD1 4.25Å; L117-L197 HydrophobicContact CG-CD1 4.08Å; L117-L197 WeakPolarHBondContact O-CD1 3.46Å; L117-I537 HydrophobicContact CD1-CD1 4.27Å
118	A	95.3	Very high	95.4	Very high	40 Å²	40	52.1 Å²	52.1	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-40	177.7	0	0	0	0	0	112.7	M114 E115 L120 M121 D122	M114-A118 PolarHBondContact O-N 3.49Å; M114-A118 VanDerWaalsContact O-N 3.07Å; E115-A118 PolarHBondContact O-N 3.37Å; E115-A118 VanDerWaalsContact O-N 3.14Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 3.2Å; A118-M121 VanDerWaalsContact O-CB 3.3Å; A118-M121 WeakPolarHBondContact O-CB 3.27Å; A118-M121 PolarHBondContact O-N 3.11Å; A118-M121 VanDerWaalsContact O-N 3.1Å; A118-D122 PolarHBondContact O-N 2.91Å
119	D	96.6	Very high	95.7	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-36.5	175.9	-71.9	-20.2	0	0	0	112.2	E115 M121 D122	E115-D119 PolarHBondContact O-N 3.14Å; D119-M121 VanDerWaalsContact C-N 3.3Å; D119-D122 PolarHBondContact O-N 3.14Å
120	L	96.4	Very high	96	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-29.4	174.1	-73.6	176.4	0	0	0	112.4	F116 L117 A118 D122 S123 L126 V187 L197	F116-L120 HydrophobicContact CD1-CD1 4.15Å; F116-L120 HydrophobicContact CE1-CD1 3.69Å; F116-L120 HydrophobicContact CE1-CG 4.31Å; F116-L120 HydrophobicContact CE2-CG 4.35Å; F116-L120 HydrophobicContact CZ-CD1 3.92Å; F116-L120 HydrophobicContact CZ-CD2 4.28Å; F116-L120 HydrophobicContact CZ-CG 4.14Å; F116-L120 WeakPolarHBondContact O-CG 3.28Å; F116-L120 PolarHBondContact O-N 3.47Å; F116-L120 VanDerWaalsContact O-N 3.08Å; L117-L120 PolarHBondContact O-N 3.06Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 3.2Å; L120-D122 PolarHBondContact O-N 2.85Å; L120-S123 PolarHBondContact O-N 3Å; L120-S123 VanDerWaalsContact O-N 3.13Å; L120-L126 HydrophobicContact CD2-CB 4.24Å; L120-L126 HydrophobicContact CD2-CD1 3.71Å; L120-V187 HydrophobicContact CD1-CB 4.45Å; L120-V187 HydrophobicContact CD1-CG1 3.69Å; L120-V187 HydrophobicContact CD1-CG2 3.88Å; L120-L197 HydrophobicContact CB-CB 4.04Å; L120-L197 HydrophobicContact CB-CD1 4.09Å; L120-L197 HydrophobicContact CD1-CB 4.41Å
121	M	96.6	Very high	96.2	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-33.1	176	-67.1	166.7	52	0	0	111.8	L117 A118 D119 S123 I127 L197 I530 V542 P543 N546	L117-M121 HydrophobicContact CD2-CG 4.28Å; L117-M121 HydrophobicContact CD2-SD 3.67Å; L117-M121 WeakPolarHBondContact O-CG 3.31Å; L117-M121 PolarHBondContact O-N 3.22Å; L117-M121 VanDerWaalsContact O-N 3.13Å; A118-M121 VanDerWaalsContact O-CB 3.3Å; A118-M121 WeakPolarHBondContact O-CB 3.27Å; A118-M121 PolarHBondContact O-N 3.11Å; A118-M121 VanDerWaalsContact O-N 3.1Å; D119-M121 VanDerWaalsContact C-N 3.3Å; M121-S123 PolarHBondContact O-N 2.84Å; M121-I127 WeakPolarHBondContact O-CD1 3.43Å; M121-L197 HydrophobicContact CB-CD1 4.48Å; M121-L197 HydrophobicContact CG-CD1 3.48Å; M121-L197 VanDerWaalsContact CG-CD1 3.48Å; M121-I530 HydrophobicContact CE-CD1 3.58Å; M121-I530 HydrophobicContact CE-CG1 3.87Å; M121-I530 HydrophobicContact SD-CD1 4.16Å; M121-I530 HydrophobicContact SD-CG1 3.94Å; M121-V542 HydrophobicContact CE-CB 4.4Å; M121-V542 HydrophobicContact CE-CG1 3.97Å; M121-V542 HydrophobicContact CE-CG2 4.12Å; M121-P543 HydrophobicContact CB-CG 4.24Å; M121-P543 VanDerWaalsContact O-CG 3.28Å; M121-P543 WeakPolarHBondContact O-CG 3.2Å; M121-N546 WeakPolarHBondContact CG-OD1 3.41Å; M121-N546 PolarHBondContact O-ND2 3.21Å
122	D	96	Very high	96.3	Very high	60 Å²	60	42.8 Å²	42.8	32%	0.321	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9	177.9	-73.7	-30.9	0	0	0	113.6	A118 D119 L120 P124 R541	A118-D122 PolarHBondContact O-N 2.91Å; D119-D122 PolarHBondContact O-N 3.14Å; L120-D122 PolarHBondContact O-N 2.85Å; D122-P124 VanDerWaalsContact O-CD 3.26Å; D122-P124 WeakPolarHBondContact O-CD 3.27Å; D122-R541 IonicContact OD1-CZ 3.92Å; D122-R541 VanDerWaalsContact OD1-CZ 3.22Å; D122-R541 IonicContact OD1-NH1 2.89Å; D122-R541 PolarHBondContact OD1-NH1 2.69Å; D122-R541 IonicContact OD1-NH2 2.65Å; D122-R541 PolarHBondContact OD1-NH2 3.41Å; D122-R541 IonicContact OD2-CZ 3.08Å; D122-R541 IonicContact OD2-NH1 2.65Å; D122-R541 IonicContact OD2-NH2 2.74Å; D122-R541 PolarHBondContact OD2-NH2 2.77Å
123	S	95.5	Very high	96.5	Very high	52 Å²	52	42 Å²	42	36%	0.364	22%	0.219	S	C	.	.			trans	-114.3	87.9	-179.1	-65.9	0	0	0	0	111.9	L120 M121 E125 L126	L120-S123 PolarHBondContact O-N 3Å; L120-S123 VanDerWaalsContact O-N 3.13Å; M121-S123 PolarHBondContact O-N 2.84Å; S123-E125 PolarHBondContact O-N 3.06Å; S123-L126 PolarHBondContact O-N 3.12Å
124	P	93.9	Very high	96.5	Very high	13 Å²	13	36 Å²	36	8%	0.084	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-50.3	-31.6	179.9	-30.1	35.3	0	0	0	115.1	D122 L126 I127 P439 Q440 P468	D122-P124 VanDerWaalsContact O-CD 3.26Å; D122-P124 WeakPolarHBondContact O-CD 3.27Å; P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.09Å; P124-I127 PolarHBondContact O-N 3.45Å; P124-P439 WeakPolarHBondContact O-CD 3.41Å; P124-Q440 HydrophobicContact CB-CB 4.19Å; P124-P468 HydrophobicContact CG-CG 4.45Å
125	E	95.9	Very high	96.7	Very high	126 Å²	126	34 Å²	34	59%	0.589	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-65.4	-27.9	177.8	-65.9	-168.6	163.4	0	0	114.1	S123 R128 Q440	S123-E125 PolarHBondContact O-N 3.06Å; E125-R128 PolarHBondContact O-NH1 3.03Å; E125-Q440 VanDerWaalsContact CG-OE1 3.28Å
126	L	97.1	Very high	96.7	Very high	31 Å²	31	27 Å²	27	16%	0.162	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-94.7	0.9	-176.2	-56.4	-174.6	0	0	0	113.2	L120 S123 P124 K194 F196 L197	L120-L126 HydrophobicContact CD2-CB 4.24Å; L120-L126 HydrophobicContact CD2-CD1 3.71Å; S123-L126 PolarHBondContact O-N 3.12Å; P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.09Å; L126-K194 VanDerWaalsContact CD2-CE 3.5Å; L126-K194 VanDerWaalsContact CD2-NZ 3.27Å; L126-F196 HydrophobicContact CB-CD1 4.32Å; L126-F196 HydrophobicContact CD2-CD1 4.17Å; L126-F196 HydrophobicContact CD2-CE1 3.83Å; L126-F196 WeakPolarHBondContact O-CA 3.46Å; L126-F196 WeakPolarHBondContact O-CB 3.32Å; L126-F196 WeakPolarHBondContact O-CD1 3.44Å; L126-L197 PolarHBondContact O-N 2.85Å
127	I	97.8	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.6	178.4	-61.2	162.5	0	0	0	109.5	M121 P124 L197 P439 N546	M121-I127 WeakPolarHBondContact O-CD1 3.43Å; P124-I127 PolarHBondContact O-N 3.45Å; I127-L197 CarbonylContact C-O 3.6Å; I127-L197 WeakPolarHBondContact CA-O 3.47Å; I127-L197 HydrophobicContact CG1-CB 4.2Å; I127-L197 HydrophobicContact CG1-CD2 4.14Å; I127-L197 HydrophobicContact CG2-CD2 3.92Å; I127-P439 HydrophobicContact CB-CG 3.94Å; I127-P439 HydrophobicContact CG2-CG 3.82Å; I127-P439 WeakPolarHBondContact O-CD 3.31Å; I127-N546 WeakPolarHBondContact CD1-ND2 3.29Å; I127-N546 VanDerWaalsContact CD1-OD1 3.25Å; I127-N546 WeakPolarHBondContact CD1-OD1 3.41Å
128	R	98.1	Very high	96.7	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118	168.3	-68.4	-62.5	-179.4	-76	-0.3	109.8	E125 V130 L197 F198 N199 V433 I436	E125-R128 PolarHBondContact O-NH1 3.03Å; R128-V130 HydrophobicContact CB-CG2 3.99Å; R128-L197 PolarHBondContact N-O 2.79Å; R128-F198 HydrophobicContact CB-CD1 4.16Å; R128-F198 HydrophobicContact CB-CE1 4.04Å; R128-F198 HydrophobicContact CB-CG 4.49Å; R128-F198 HydrophobicContact CB-CZ 4.26Å; R128-F198 HydrophobicContact CG-CE1 4.49Å; R128-F198 HydrophobicContact CG-CZ 4.26Å; R128-N199 PolarHBondContact O-N 2.98Å; R128-V433 HydrophobicContact CG-CG2 4.46Å; R128-V433 PolarHBondContact NH2-O 3.01Å; R128-V433 VanDerWaalsContact NH2-O 3.09Å; R128-I436 WeakPolarHBondContact CD-O 3.33Å; R128-I436 PolarHBondContact NE-O 3.03Å
129	N	98.3	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.1	172.6	-59.5	-37.3	0	0	0	108.9	N199 D221 G222 P439 R493 G545 W547	N129-N199 VanDerWaalsContact OD1-CB 3.29Å; N129-N199 WeakPolarHBondContact OD1-CB 3.23Å; N129-N199 PolarHBondContact OD1-ND2 2.97Å; N129-D221 WeakPolarHBondContact CB-OD2 3.38Å; N129-D221 PolarHBondContact ND2-OD2 3.18Å; N129-D221 PolarHBondContact O-N 3.05Å; N129-G222 PolarHBondContact O-N 2.85Å; N129-P439 WeakPolarHBondContact ND2-CG 3.49Å; N129-R493 PolarHBondContact ND2-NH1 3.39Å; N129-G545 PolarHBondContact ND2-O 3.24Å; N129-G545 PolarHBondContact OD1-O 3.5Å; N129-W547 HydrophobicContact CB-CZ2 3.84Å
130	V	98.2	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.1	-169.2	-175.5	0	0	0	0	110.2	R128 L132 F198 N199 I200 M201 V224 I436	R128-V130 HydrophobicContact CB-CG2 3.99Å; V130-L132 HydrophobicContact CG1-CD2 4.09Å; V130-F198 HydrophobicContact CG2-CD1 4.25Å; V130-F198 HydrophobicContact CG2-CE1 4.27Å; V130-N199 PolarHBondContact N-O 2.85Å; V130-I200 CarbonylContact O-C 3.58Å; V130-I200 VanDerWaalsContact O-CA 3.3Å; V130-I200 WeakPolarHBondContact O-CA 3.34Å; V130-M201 PolarHBondContact O-N 3.32Å; V130-V224 HydrophobicContact CG1-CB 4.33Å; V130-V224 HydrophobicContact CG1-CG2 3.41Å; V130-V224 VanDerWaalsContact CG1-CG2 3.41Å; V130-I436 HydrophobicContact CB-CD1 4.3Å; V130-I436 HydrophobicContact CG1-CD1 3.78Å; V130-I436 HydrophobicContact CG2-CD1 3.66Å; V130-I436 HydrophobicContact CG2-CG2 4.46Å
131	T	98.5	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.4	168.3	-76.3	0	0	0	0	110.5	C133 T203 G216 I217 S220 G222 I223 V224	T131-C133 HydrophobicContact CG2-CB 4.13Å; T131-T203 HydrophobicContact CG2-CG2 3.57Å; T131-G216 VanDerWaalsContact OG1-C 3.24Å; T131-G216 PolarHBondContact OG1-O 2.98Å; T131-I217 HydrophobicContact CG2-CG1 4.28Å; T131-S220 PolarHBondContact OG1-OG 2.91Å; T131-G222 PolarHBondContact N-O 3.3Å; T131-G222 VanDerWaalsContact N-O 3.11Å; T131-I223 CarbonylContact O-C 3.15Å; T131-I223 WeakPolarHBondContact O-CA 3.45Å; T131-V224 PolarHBondContact O-N 2.94Å
132	L	98.3	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115	168.4	-45.9	-173.4	0	0	0	107.8	V130 F143 V144 I200 M201 T203 V224 F226 F428	V130-L132 HydrophobicContact CG1-CD2 4.09Å; L132-F143 HydrophobicContact CD1-CD1 4.42Å; L132-V144 HydrophobicContact CD1-CG2 3.47Å; L132-V144 VanDerWaalsContact CD1-CG2 3.47Å; L132-I200 HydrophobicContact CD1-CG2 3.63Å; L132-I200 HydrophobicContact CD2-CG2 3.95Å; L132-I200 HydrophobicContact CG-CG2 3.51Å; L132-M201 PolarHBondContact N-O 3.13Å; L132-T203 PolarHBondContact O-N 3.42Å; L132-T203 PolarHBondContact O-OG1 2.96Å; L132-V224 HydrophobicContact CD2-CB 3.83Å; L132-V224 HydrophobicContact CD2-CG1 4.46Å; L132-V224 HydrophobicContact CD2-CG2 4.11Å; L132-F226 HydrophobicContact CB-CD2 4.25Å; L132-F226 HydrophobicContact CB-CE2 3.85Å; L132-F226 HydrophobicContact CD1-CE2 4.11Å; L132-F226 HydrophobicContact CD1-CZ 4.34Å; L132-F226 HydrophobicContact CD2-CE2 3.96Å; L132-F226 HydrophobicContact CG-CE2 4.16Å; L132-F428 HydrophobicContact CD2-CE2 4.1Å; L132-F428 HydrophobicContact CD2-CZ 4.03Å
133	C	97.3	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.2	-179.6	68.6	0	0	0	0	110.4	T131 T203 V213 V224 L225 F226 L240	T131-C133 HydrophobicContact CG2-CB 4.13Å; C133-T203 WeakPolarHBondContact CA-OG1 3.45Å; C133-V213 HydrophobicContact CB-CG1 3.75Å; C133-V224 PolarHBondContact N-O 2.87Å; C133-L225 CarbonylContact O-C 3.58Å; C133-L225 WeakPolarHBondContact O-CA 3.01Å; C133-F226 PolarHBondContact O-N 3.37Å; C133-L240 HydrophobicContact CB-CD1 3.84Å; C133-L240 HydrophobicContact CB-CD2 4.49Å
134	G	96.6	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	170.6	-177.7	0	0	0	0	0	111	K140 G205 L240	G134-K140 PolarHBondContact O-NZ 2.8Å; G134-G205 VanDerWaalsContact O-CA 3.29Å; G134-G205 WeakPolarHBondContact O-CA 3.38Å; G134-L240 VanDerWaalsContact N-CD1 3.27Å
135	H	97.4	Very high	96.6	Very high	7 Å²	7	17.5 Å²	17.5	3%	0.032	9%	0.088	C	C	.	.	S	Bend	trans	-63.4	167.4	-176.1	-179.5	-94.1	0	0	0	114	H137 H138 K140 G205 M234 N236 L896	H135-H137 PolarHBondContact O-N 2.99Å; H135-H138 VanDerWaalsContact CB-CE1 3.5Å; H135-H138 WeakPolarHBondContact CB-CE1 3.46Å; H135-H138 AromaticContact CG-NE2 3.76Å; H135-H138 AromaticContact ND1-CD2 3.7Å; H135-H138 AromaticContact ND1-NE2 3.29Å; H135-H138 PolarHBondContact ND1-NE2 3.27Å; H135-H138 PolarHBondContact O-N 3.37Å; H135-K140 PolarHBondContact O-NZ 3.44Å; H135-G205 CarbonylContact C-O 3.55Å; H135-M234 HydrophobicContact CB-CB 4.11Å; H135-N236 HydrophobicContact CB-CB 4.21Å; H135-L896 WeakPolarHBondContact NE2-CD1 3.18Å
136	L	95.3	Very high	96.6	Very high	12 Å²	12	11.7 Å²	11.7	6%	0.063	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.1	-177.1	-178.6	64.6	0	0	0	110.5	H138 V177 G205 H206 F894 L896	L136-H138 PolarHBondContact O-CD2 2.95Å; L136-H138 VanDerWaalsContact O-CD2 3.25Å; L136-H138 PolarHBondContact O-N 3.05Å; L136-V177 HydrophobicContact CD1-CG1 4Å; L136-V177 HydrophobicContact CD1-CG2 4.42Å; L136-G205 PolarHBondContact N-O 3.27Å; L136-G205 VanDerWaalsContact N-O 3.09Å; L136-H206 HydrophobicContact CD1-CB 4.09Å; L136-F894 HydrophobicContact CD2-CE1 3.63Å; L136-F894 HydrophobicContact CD2-CZ 3.43Å; L136-F894 VanDerWaalsContact CD2-CZ 3.43Å; L136-L896 HydrophobicContact CB-CD1 4.32Å; L136-L896 HydrophobicContact CD2-CD2 4.28Å
137	H	94	Very high	96.5	Very high	103 Å²	103	10.2 Å²	10.2	48%	0.477	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	23.2	178.9	-56.8	-42.7	0	0	0	116.5	H135 G139 G176 K257	H135-H137 PolarHBondContact O-N 2.99Å; H137-G139 PolarHBondContact O-N 2.93Å; H137-G139 VanDerWaalsContact O-N 3.07Å; H137-G176 PolarHBondContact CE1-O 2.9Å; H137-G176 VanDerWaalsContact CE1-O 3.26Å; H137-K257 WeakPolarHBondContact O-CE 3.2Å; H137-K257 PolarHBondContact O-NZ 3.18Å
138	H	96.8	Very high	96.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-72.3	7.4	170.9	-74.7	-157.5	0	0	0	114.2	H135 L136 F226 I227 D228 E231 N256	H135-H138 VanDerWaalsContact CB-CE1 3.5Å; H135-H138 WeakPolarHBondContact CB-CE1 3.46Å; H135-H138 AromaticContact CG-NE2 3.76Å; H135-H138 AromaticContact ND1-CD2 3.7Å; H135-H138 AromaticContact ND1-NE2 3.29Å; H135-H138 PolarHBondContact ND1-NE2 3.27Å; H135-H138 PolarHBondContact O-N 3.37Å; L136-H138 PolarHBondContact O-CD2 2.95Å; L136-H138 VanDerWaalsContact O-CD2 3.25Å; L136-H138 PolarHBondContact O-N 3.05Å; H138-F226 HydrophobicContact CB-CB 4.21Å; H138-F226 PolarHBondContact ND1-O 3.45Å; H138-I227 WeakPolarHBondContact ND1-CA 3.43Å; H138-D228 PolarHBondContact CE1-N 2.92Å; H138-D228 PolarHBondContact ND1-N 3.27Å; H138-E231 IonicContact NE2-OE2 3.71Å; H138-N256 PolarHBondContact O-ND2 3.19Å
139	G	94.3	Very high	96.2	Very high	9 Å²	9	9.5 Å²	9.5	9%	0.093	5%	0.051	C	C	.	.	S	Bend	trans	84.7	30.2	170.6	0	0	0	0	0	115.8	H137 F143 N256	H137-G139 PolarHBondContact O-N 2.93Å; H137-G139 VanDerWaalsContact O-N 3.07Å; G139-F143 WeakPolarHBondContact O-CB 3.23Å; G139-F143 PolarHBondContact O-N 3.03Å; G139-N256 WeakPolarHBondContact CA-ND2 3.38Å; G139-N256 PolarHBondContact O-ND2 3.05Å
140	K	95.9	Very high	96	Very high	9 Å²	9	11 Å²	11	4%	0.039	6%	0.058	C	C	.	.	H	α-helix	trans	-63	-59.4	177	-59.8	-177.8	-66.5	-72.7	0	112.1	G134 H135 C142 F143 V144 D202 T203 F226	G134-K140 PolarHBondContact O-NZ 2.8Å; H135-K140 PolarHBondContact O-NZ 3.44Å; K140-C142 VanDerWaalsContact C-N 3.34Å; K140-C142 PolarHBondContact O-N 2.92Å; K140-F143 WeakPolarHBondContact O-CA 3.11Å; K140-F143 WeakPolarHBondContact O-CB 3.16Å; K140-F143 PolarHBondContact O-N 2.93Å; K140-V144 PolarHBondContact O-N 3.19Å; K140-D202 WeakPolarHBondContact CB-OD1 3.44Å; K140-T203 WeakPolarHBondContact CE-O 3.46Å; K140-F226 HydrophobicContact CG-CB 3.82Å; K140-F226 HydrophobicContact CG-CD1 4.41Å; K140-F226 HydrophobicContact CG-CD2 3.96Å; K140-F226 HydrophobicContact CG-CG 3.8Å
141	T	95.5	Very high	95.8	Very high	25 Å²	25	11.1 Å²	11.1	15%	0.153	6%	0.059	C	C	.	.	H	α-helix	trans	-53.1	-47.6	175.6	-41.5	0	0	0	0	112.1	F143 V144 D145 R164 T166 D167 D202	T141-F143 PolarHBondContact O-N 3.12Å; T141-V144 PolarHBondContact O-N 3.06Å; T141-V144 VanDerWaalsContact O-N 3.13Å; T141-D145 PolarHBondContact O-N 3.11Å; T141-R164 HydrophobicContact CG2-CB 3.95Å; T141-R164 HydrophobicContact CG2-CG 4.08Å; T141-T166 WeakPolarHBondContact CG2-OG1 3.28Å; T141-D167 WeakPolarHBondContact CG2-OD1 3.37Å; T141-D202 VanDerWaalsContact CA-OD2 3.29Å; T141-D202 WeakPolarHBondContact CA-OD2 3.39Å; T141-D202 PolarHBondContact OG1-OD2 3.03Å
142	C	94.6	Very high	95.6	Very high	22 Å²	22	11.1 Å²	11.1	15%	0.149	6%	0.059	C	C	.	.	H	α-helix	trans	-64.7	-26.3	176.7	-59.3	0	0	0	0	113.5	K140 D145 C146	K140-C142 VanDerWaalsContact C-N 3.34Å; K140-C142 PolarHBondContact O-N 2.92Å; C142-D145 WeakPolarHBondContact O-CB 3.43Å; C142-C146 PolarHBondContact O-N 2.83Å; C142-C146 PolarHBondContact O-SG 3.24Å
143	F	96.8	Very high	95.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-72.8	-42.4	174.3	-172.6	-88.9	0	0	0	110.4	L132 G139 K140 T141 D145 C146 L147 F226 A308 C315 F425 F428	L132-F143 HydrophobicContact CD1-CD1 4.42Å; G139-F143 WeakPolarHBondContact O-CB 3.23Å; G139-F143 PolarHBondContact O-N 3.03Å; K140-F143 WeakPolarHBondContact O-CA 3.11Å; K140-F143 WeakPolarHBondContact O-CB 3.16Å; K140-F143 PolarHBondContact O-N 2.93Å; T141-F143 PolarHBondContact O-N 3.12Å; F143-D145 VanDerWaalsContact C-N 3.3Å; F143-D145 PolarHBondContact O-N 3.05Å; F143-C146 WeakPolarHBondContact O-CB 3.45Å; F143-C146 PolarHBondContact O-N 2.78Å; F143-C146 VanDerWaalsContact O-N 3.09Å; F143-L147 HydrophobicContact CD1-CD1 4.13Å; F143-L147 HydrophobicContact CD1-CG 4.41Å; F143-L147 HydrophobicContact CE1-CD1 3.93Å; F143-L147 HydrophobicContact CE1-CD2 4.48Å; F143-L147 HydrophobicContact CE1-CG 4.24Å; F143-L147 PolarHBondContact O-N 3.24Å; F143-F226 HydrophobicContact CB-CE1 3.65Å; F143-F226 HydrophobicContact CB-CZ 3.89Å; F143-F226 HydrophobicContact CD1-CE1 4.14Å; F143-F226 AromaticContact CD1-CZ 3.63Å; F143-F226 HydrophobicContact CD1-CZ 3.63Å; F143-F226 AromaticContact CD2-CE1 3.74Å; F143-F226 HydrophobicContact CD2-CE1 3.74Å; F143-F226 HydrophobicContact CD2-CZ 4.01Å; F143-F226 HydrophobicContact CE1-CZ 4.1Å; F143-F226 HydrophobicContact CE2-CE1 4.41Å; F143-F226 HydrophobicContact CE2-CZ 4.45Å; F143-F226 AromaticContact CG-CE1 3.58Å; F143-F226 HydrophobicContact CG-CE1 3.58Å; F143-F226 AromaticContact CG-CZ 3.57Å; F143-F226 HydrophobicContact CG-CZ 3.57Å; F143-F226 HydrophobicContact CZ-CZ 4.49Å; F143-A308 HydrophobicContact CD2-CB 4.27Å; F143-A308 HydrophobicContact CE2-CB 3.97Å; F143-C315 HydrophobicContact CE2-CB 4.31Å; F143-F425 HydrophobicContact CD2-CD2 4.47Å; F143-F425 AromaticContact CD2-CE2 3.94Å; F143-F425 HydrophobicContact CD2-CE2 3.94Å; F143-F425 HydrophobicContact CE1-CD2 4.25Å; F143-F425 AromaticContact CE2-CD2 3.78Å; F143-F425 HydrophobicContact CE2-CD2 3.78Å; F143-F425 AromaticContact CE2-CE2 3.6Å; F143-F425 HydrophobicContact CE2-CE2 3.6Å; F143-F425 AromaticContact CZ-CD2 3.65Å; F143-F425 HydrophobicContact CZ-CD2 3.65Å; F143-F425 AromaticContact CZ-CE2 3.96Å; F143-F425 HydrophobicContact CZ-CE2 3.96Å; F143-F428 HydrophobicContact CE1-CD1 4.33Å; F143-F428 AromaticContact CE1-CD2 3.71Å; F143-F428 HydrophobicContact CE1-CD2 3.71Å; F143-F428 AromaticContact CE1-CE2 3.91Å; F143-F428 HydrophobicContact CE1-CE2 3.91Å; F143-F428 AromaticContact CE1-CG 3.93Å; F143-F428 HydrophobicContact CE1-CG 3.93Å; F143-F428 HydrophobicContact CE1-CZ 4.32Å; F143-F428 HydrophobicContact CZ-CB 3.95Å; F143-F428 AromaticContact CZ-CD2 3.72Å; F143-F428 HydrophobicContact CZ-CD2 3.72Å; F143-F428 HydrophobicContact CZ-CE2 4.36Å; F143-F428 AromaticContact CZ-CG 3.84Å; F143-F428 HydrophobicContact CZ-CG 3.84Å
144	V	96.7	Very high	94.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-39.6	171.9	-177	0	0	0	0	110.9	L132 K140 T141 C146 L147 I148 T166 V184 D202	L132-V144 HydrophobicContact CD1-CG2 3.47Å; L132-V144 VanDerWaalsContact CD1-CG2 3.47Å; K140-V144 PolarHBondContact O-N 3.19Å; T141-V144 PolarHBondContact O-N 3.06Å; T141-V144 VanDerWaalsContact O-N 3.13Å; V144-C146 PolarHBondContact O-N 3.33Å; V144-L147 WeakPolarHBondContact O-CA 3.45Å; V144-L147 WeakPolarHBondContact O-CB 3.35Å; V144-L147 PolarHBondContact O-N 3.33Å; V144-I148 HydrophobicContact CG1-CG1 4.2Å; V144-I148 WeakPolarHBondContact O-CG1 3.42Å; V144-I148 PolarHBondContact O-N 3.45Å; V144-T166 HydrophobicContact CB-CG2 4.33Å; V144-T166 HydrophobicContact CG1-CG2 3.73Å; V144-V184 HydrophobicContact CG1-CG2 4.13Å; V144-D202 HydrophobicContact CG2-CB 4.15Å
145	D	95.1	Very high	94.5	Very high	3 Å²	3	22 Å²	22	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-54.4	-39.1	173	-68	-16.8	0	0	0	111.9	T141 C142 F143 I148 E149 R164 Y165	T141-D145 PolarHBondContact O-N 3.11Å; C142-D145 WeakPolarHBondContact O-CB 3.43Å; F143-D145 VanDerWaalsContact C-N 3.3Å; F143-D145 PolarHBondContact O-N 3.05Å; D145-I148 PolarHBondContact O-N 2.79Å; D145-E149 WeakPolarHBondContact O-CB 3.1Å; D145-E149 WeakPolarHBondContact O-CG 3.32Å; D145-E149 PolarHBondContact O-N 3.37Å; D145-R164 PolarHBondContact OD1-N 3.23Å; D145-R164 PolarHBondContact OD2-N 3.48Å; D145-Y165 WeakPolarHBondContact OD1-CB 3.34Å; D145-Y165 PolarHBondContact OD1-N 2.95Å
146	C	95.4	Very high	93.7	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-37.9	177.3	-63.1	0	0	0	0	112.4	C142 F143 V144 Q150 S310 C313 F425	C142-C146 PolarHBondContact O-N 2.83Å; C142-C146 PolarHBondContact O-SG 3.24Å; F143-C146 WeakPolarHBondContact O-CB 3.45Å; F143-C146 PolarHBondContact O-N 2.78Å; F143-C146 VanDerWaalsContact O-N 3.09Å; V144-C146 PolarHBondContact O-N 3.33Å; C146-Q150 WeakPolarHBondContact O-CB 3.42Å; C146-Q150 PolarHBondContact O-N 3.3Å; C146-S310 PolarHBondContact SG-O 3.2Å; C146-C313 VanDerWaalsContact SG-SG 3.66Å; C146-F425 HydrophobicContact CB-CD2 4.36Å; C146-F425 HydrophobicContact CB-CE1 4.22Å; C146-F425 HydrophobicContact CB-CE2 3.46Å; C146-F425 VanDerWaalsContact CB-CE2 3.46Å; C146-F425 HydrophobicContact CB-CZ 3.38Å
147	L	96.1	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.8	-40.1	175.8	-62.5	177.2	0	0	0	111.4	F143 V144 Q150 T151 M186 L188 I200 F425 F428	F143-L147 HydrophobicContact CD1-CD1 4.13Å; F143-L147 HydrophobicContact CD1-CG 4.41Å; F143-L147 HydrophobicContact CE1-CD1 3.93Å; F143-L147 HydrophobicContact CE1-CD2 4.48Å; F143-L147 HydrophobicContact CE1-CG 4.24Å; F143-L147 PolarHBondContact O-N 3.24Å; V144-L147 WeakPolarHBondContact O-CA 3.45Å; V144-L147 WeakPolarHBondContact O-CB 3.35Å; V144-L147 PolarHBondContact O-N 3.33Å; L147-Q150 WeakPolarHBondContact O-CB 3.47Å; L147-Q150 PolarHBondContact O-N 2.94Å; L147-T151 WeakPolarHBondContact O-CG2 3.47Å; L147-T151 PolarHBondContact O-N 3.24Å; L147-T151 PolarHBondContact O-OG1 3.47Å; L147-M186 HydrophobicContact CB-CE 4.13Å; L147-M186 HydrophobicContact CB-SD 3.73Å; L147-L188 HydrophobicContact CD1-CD1 4.39Å; L147-L188 HydrophobicContact CD2-CD1 4.19Å; L147-L188 HydrophobicContact CD2-CD2 4.38Å; L147-I200 HydrophobicContact CD1-CD1 3.64Å; L147-F425 HydrophobicContact CD2-CB 3.75Å; L147-F425 HydrophobicContact CD2-CD2 3.73Å; L147-F425 HydrophobicContact CD2-CG 4.05Å; L147-F425 HydrophobicContact CG-CD2 4.43Å; L147-F428 HydrophobicContact CD1-CE1 4.21Å
148	I	95.1	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-47.9	173.8	-69.1	-67.4	0	0	0	110.2	V144 D145 Q150 T151 H152 I155 Y165 V184 M186 V532	V144-I148 HydrophobicContact CG1-CG1 4.2Å; V144-I148 WeakPolarHBondContact O-CG1 3.42Å; V144-I148 PolarHBondContact O-N 3.45Å; D145-I148 PolarHBondContact O-N 2.79Å; I148-Q150 PolarHBondContact O-N 3.2Å; I148-T151 WeakPolarHBondContact CA-OG1 3.31Å; I148-T151 PolarHBondContact O-N 3.17Å; I148-T151 VanDerWaalsContact O-N 3.12Å; I148-T151 PolarHBondContact O-OG1 2.88Å; I148-T151 VanDerWaalsContact O-OG1 3.1Å; I148-H152 HydrophobicContact CG2-CB 4.45Å; I148-H152 WeakPolarHBondContact O-CA 3.46Å; I148-H152 VanDerWaalsContact O-CB 3.29Å; I148-H152 WeakPolarHBondContact O-CB 3.4Å; I148-H152 PolarHBondContact O-N 3.15Å; I148-H152 PolarHBondContact O-ND1 2.77Å; I148-I155 HydrophobicContact CG2-CB 4.33Å; I148-I155 HydrophobicContact CG2-CD1 4.2Å; I148-I155 HydrophobicContact CG2-CG2 3.92Å; I148-Y165 HydrophobicContact CD1-CD1 4Å; I148-Y165 HydrophobicContact CD1-CE1 4Å; I148-Y165 HydrophobicContact CG1-CD1 3.82Å; I148-Y165 HydrophobicContact CG1-CE1 4.3Å; I148-Y165 HydrophobicContact CG1-CG 4.26Å; I148-Y165 HydrophobicContact CG2-CD1 4.18Å; I148-Y165 HydrophobicContact CG2-CD2 4.17Å; I148-Y165 HydrophobicContact CG2-CE1 4.31Å; I148-Y165 HydrophobicContact CG2-CE2 4.31Å; I148-Y165 HydrophobicContact CG2-CG 4.09Å; I148-V184 HydrophobicContact CD1-CG1 3.84Å; I148-M186 HydrophobicContact CD1-CE 3.59Å; I148-M186 HydrophobicContact CG1-CE 4.12Å; I148-V532 HydrophobicContact CD1-CG1 4.4Å
149	E	93.4	Very high	90.8	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.028	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-29.2	175.6	-77.9	-176.2	-156.4	0	0	113.6	D145 R156 K157 R415 K419	D145-E149 WeakPolarHBondContact O-CB 3.1Å; D145-E149 WeakPolarHBondContact O-CG 3.32Å; D145-E149 PolarHBondContact O-N 3.37Å; E149-R156 PolarHBondContact O-NH1 3.42Å; E149-K157 WeakPolarHBondContact OE1-CB 3.37Å; E149-K157 PolarHBondContact OE1-N 3Å; E149-K157 VanDerWaalsContact OE1-N 3.15Å; E149-R415 IonicContact OE1-CZ 3.84Å; E149-R415 IonicContact OE1-NE 2.75Å; E149-R415 IonicContact OE1-NH2 3.86Å; E149-R415 PolarHBondContact OE1-NH2 2.78Å; E149-R415 IonicContact OE2-CZ 3.46Å; E149-R415 IonicContact OE2-NE 3.08Å; E149-R415 IonicContact OE2-NH2 2.74Å; E149-R415 PolarHBondContact OE2-NH2 2.82Å; E149-K419 IonicContact OE2-NZ 3.34Å; E149-K419 PolarHBondContact OE2-NZ 2.86Å
150	Q	94.1	Very high	89.8	Confident	32 Å²	32	44 Å²	44	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-42.5	174.7	-179.9	-176.1	-43.2	0	0	111	C146 L147 I148 E424	C146-Q150 WeakPolarHBondContact O-CB 3.42Å; C146-Q150 PolarHBondContact O-N 3.3Å; L147-Q150 WeakPolarHBondContact O-CB 3.47Å; L147-Q150 PolarHBondContact O-N 2.94Å; I148-Q150 PolarHBondContact O-N 3.2Å; Q150-E424 HydrophobicContact CG-CG 4.11Å
151	T	94.8	Very high	88.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-86.6	-24.1	-174	48.5	0	0	0	0	113.9	T110 V111 Y112 L147 I148 M186 L188	T110-T151 CarbonylContact C-O 3.59Å; T110-T151 WeakPolarHBondContact CA-O 3.37Å; V111-T151 PolarHBondContact N-O 3.4Å; Y112-T151 HydrophobicContact CE1-CG2 4.03Å; L147-T151 WeakPolarHBondContact O-CG2 3.47Å; L147-T151 PolarHBondContact O-N 3.24Å; L147-T151 PolarHBondContact O-OG1 3.47Å; I148-T151 WeakPolarHBondContact CA-OG1 3.31Å; I148-T151 PolarHBondContact O-N 3.17Å; I148-T151 VanDerWaalsContact O-N 3.12Å; I148-T151 PolarHBondContact O-OG1 2.88Å; I148-T151 VanDerWaalsContact O-OG1 3.1Å; T151-M186 HydrophobicContact CG2-CB 4.43Å; T151-M186 HydrophobicContact CG2-SD 4.09Å; T151-L188 HydrophobicContact CG2-CD2 3.73Å
152	H	94.9	Very high	88	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.			trans	-121.9	99.9	-176.9	-60.8	77.7	0	0	0	109.7	T110 I148 E154 I155 R156 Y535	T110-H152 VanDerWaalsContact CG2-NE2 3.25Å; T110-H152 WeakPolarHBondContact CG2-NE2 3.41Å; I148-H152 HydrophobicContact CG2-CB 4.45Å; I148-H152 WeakPolarHBondContact O-CA 3.46Å; I148-H152 VanDerWaalsContact O-CB 3.29Å; I148-H152 WeakPolarHBondContact O-CB 3.4Å; I148-H152 PolarHBondContact O-N 3.15Å; I148-H152 PolarHBondContact O-ND1 2.77Å; H152-E154 VanDerWaalsContact C-N 3.28Å; H152-E154 PolarHBondContact O-N 3.46Å; H152-I155 HydrophobicContact CB-CB 3.97Å; H152-I155 HydrophobicContact CB-CD1 3.74Å; H152-I155 HydrophobicContact CB-CG1 3.93Å; H152-I155 PolarHBondContact O-N 3.33Å; H152-R156 PolarHBondContact O-NH1 3Å; H152-Y535 AromaticContact NE2-CE1 3.51Å; H152-Y535 AromaticContact NE2-CZ 3.62Å; H152-Y535 PolarHBondContact NE2-OH 3.04Å
153	P	90.5	Very high	87.3	Confident	60 Å²	60	52 Å²	52	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-64.2	-28.8	-174.4	-25.7	36.4	0	0	0	114.8	V111 R156	V111-P153 HydrophobicContact CG1-CG 3.76Å; P153-R156 PolarHBondContact O-NE 2.72Å; P153-R156 PolarHBondContact O-NH2 3.47Å
154	E	89.9	Confident	86.8	Confident	146 Å²	146	55.5 Å²	55.5	68%	0.682	26%	0.261	S	S	*	.	S	Bend	trans	-81.6	-27.7	-178.5	-68.5	177.2	-157.1	0	0	112.8	S109 H152 R156	S109-E154 WeakPolarHBondContact OG-CG 3.34Å; S109-E154 PolarHBondContact OG-OE1 3.35Å; H152-E154 VanDerWaalsContact C-N 3.28Å; H152-E154 PolarHBondContact O-N 3.46Å; E154-R156 PolarHBondContact O-N 3.17Å
155	I	88.1	Confident	86.6	Confident	23 Å²	23	55.5 Å²	55.5	12%	0.118	26%	0.261	C	S	.	.			trans	-80.7	119.2	178.6	-57.2	175.9	0	0	0	108.3	P108 I148 H152 L163 Y165	P108-I155 HydrophobicContact CB-CD1 4.28Å; P108-I155 HydrophobicContact CG-CD1 4.45Å; I148-I155 HydrophobicContact CG2-CB 4.33Å; I148-I155 HydrophobicContact CG2-CD1 4.2Å; I148-I155 HydrophobicContact CG2-CG2 3.92Å; H152-I155 HydrophobicContact CB-CB 3.97Å; H152-I155 HydrophobicContact CB-CD1 3.74Å; H152-I155 HydrophobicContact CB-CG1 3.93Å; H152-I155 PolarHBondContact O-N 3.33Å; I155-L163 HydrophobicContact CG2-CD2 3.64Å; I155-Y165 HydrophobicContact CD1-CE2 3.75Å; I155-Y165 HydrophobicContact CG2-CD2 4.22Å; I155-Y165 HydrophobicContact CG2-CE2 4.16Å
156	R	81.5	Confident	86.5	Confident	113 Å²	113	55.4 Å²	55.4	43%	0.426	26%	0.261	S	S	.	.			trans	-139.6	136.7	-176.5	-65	-70.5	174.4	-115	6.8	110.6	E149 H152 P153 E154	E149-R156 PolarHBondContact O-NH1 3.42Å; H152-R156 PolarHBondContact O-NH1 3Å; P153-R156 PolarHBondContact O-NE 2.72Å; P153-R156 PolarHBondContact O-NH2 3.47Å; E154-R156 PolarHBondContact O-N 3.17Å
157	K	77.7	Confident	86.5	Confident	34 Å²	34	55.5 Å²	55.5	15%	0.148	26%	0.261	C	S	.	.			trans	-60.2	137.2	167.4	177.8	174.8	176.2	166.1	0	110.9	E149 M161 D162 L163	E149-K157 WeakPolarHBondContact OE1-CB 3.37Å; E149-K157 PolarHBondContact OE1-N 3Å; E149-K157 VanDerWaalsContact OE1-N 3.15Å; K157-M161 WeakPolarHBondContact CG-O 3.43Å; K157-D162 WeakPolarHBondContact CE-OD1 3.44Å; K157-D162 IonicContact NZ-OD1 2.68Å; K157-D162 PolarHBondContact NZ-OD1 3.33Å; K157-L163 HydrophobicContact CB-CB 4.49Å
158	R	76.4	Confident	86.3	Confident	201 Å²	201	56.4 Å²	56.4	76%	0.758	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-78.2	151.3	174.1	-64.7	-177.1	-178.8	175.3	1.8	109.9	D160 M161	R158-D160 PolarHBondContact O-N 2.69Å; R158-D160 VanDerWaalsContact O-N 3.11Å; R158-M161 PolarHBondContact O-N 3.06Å; R158-M161 VanDerWaalsContact O-O 3.06Å
159	D	70.3	Confident	86.2	Confident	98 Å²	98	57.1 Å²	57.1	52%	0.524	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.2	-169.7	-70.7	-33.9	0	0	0	114.6	P412	D159-P412 HydrophobicContact CB-CG 3.95Å
160	D	72.2	Confident	86.2	Confident	145 Å²	145	60.1 Å²	60.1	78%	0.775	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-1.9	-173.7	-63.7	-39.1	0	0	0	114.6	R158	R158-D160 PolarHBondContact O-N 2.69Å; R158-D160 VanDerWaalsContact O-N 3.11Å
161	M	74.7	Confident	86.1	Confident	128 Å²	128	59.1 Å²	59.1	63%	0.631	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-135	132.9	-178.8	-75.3	-173.6	70.3	0	0	111.8	K157 R158	K157-M161 WeakPolarHBondContact CG-O 3.43Å; R158-M161 PolarHBondContact O-N 3.06Å; R158-M161 VanDerWaalsContact O-O 3.06Å
162	D	79.3	Confident	86	Confident	62 Å²	62	59 Å²	59	33%	0.332	28%	0.277	S	S	.	.			trans	-63.7	137.7	169.6	-59.7	-26.2	0	0	0	110.1	K157 R164	K157-D162 WeakPolarHBondContact CE-OD1 3.44Å; K157-D162 IonicContact NZ-OD1 2.68Å; K157-D162 PolarHBondContact NZ-OD1 3.33Å; D162-R164 HydrophobicContact CB-CG 4.2Å
163	L	80.4	Confident	85.8	Confident	36 Å²	36	62 Å²	62	19%	0.188	29%	0.291	C	S	.	.			trans	-68.7	-46	-177	177.4	65.4	0	0	0	111.3	I155 K157 Y165 R534	I155-L163 HydrophobicContact CG2-CD2 3.64Å; K157-L163 HydrophobicContact CB-CB 4.49Å; L163-Y165 HydrophobicContact CD2-CD2 3.96Å; L163-Y165 HydrophobicContact CD2-CG 4.43Å; L163-Y165 HydrophobicContact CG-CD2 4.33Å; L163-R534 PolarHBondContact O-NH2 3.06Å
164	R	87.2	Confident	85.8	Confident	72 Å²	72	66.9 Å²	66.9	27%	0.272	31%	0.309	S	S	.	.			trans	47.5	63.9	-175.6	-65	-172.9	-100.4	-163.1	3.1	111	T141 D145 D162 T166 D167 G176 R534	T141-R164 HydrophobicContact CG2-CB 3.95Å; T141-R164 HydrophobicContact CG2-CG 4.08Å; D145-R164 PolarHBondContact OD1-N 3.23Å; D145-R164 PolarHBondContact OD2-N 3.48Å; D162-R164 HydrophobicContact CB-CG 4.2Å; R164-T166 VanDerWaalsContact C-N 3.31Å; R164-T166 PolarHBondContact O-N 3.28Å; R164-D167 HydrophobicContact CB-CB 4.02Å; R164-D167 VanDerWaalsContact CD-OD2 3.25Å; R164-D167 WeakPolarHBondContact CD-OD2 3.46Å; R164-D167 PolarHBondContact O-N 3.1Å; R164-G176 PolarHBondContact NH1-O 2.82Å; R164-R534 PolarHBondContact O-NH2 2.96Å; R164-R534 VanDerWaalsContact O-NH2 3.15Å
165	Y	91.8	Very high	85.9	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-39.4	-170.6	-166	-100.3	0	0	0	112.3	D145 I148 I155 L163 A533 R534	D145-Y165 WeakPolarHBondContact OD1-CB 3.34Å; D145-Y165 PolarHBondContact OD1-N 2.95Å; I148-Y165 HydrophobicContact CD1-CD1 4Å; I148-Y165 HydrophobicContact CD1-CE1 4Å; I148-Y165 HydrophobicContact CG1-CD1 3.82Å; I148-Y165 HydrophobicContact CG1-CE1 4.3Å; I148-Y165 HydrophobicContact CG1-CG 4.26Å; I148-Y165 HydrophobicContact CG2-CD1 4.18Å; I148-Y165 HydrophobicContact CG2-CD2 4.17Å; I148-Y165 HydrophobicContact CG2-CE1 4.31Å; I148-Y165 HydrophobicContact CG2-CE2 4.31Å; I148-Y165 HydrophobicContact CG2-CG 4.09Å; I155-Y165 HydrophobicContact CD1-CE2 3.75Å; I155-Y165 HydrophobicContact CG2-CD2 4.22Å; I155-Y165 HydrophobicContact CG2-CE2 4.16Å; L163-Y165 HydrophobicContact CD2-CD2 3.96Å; L163-Y165 HydrophobicContact CD2-CG 4.43Å; L163-Y165 HydrophobicContact CG-CD2 4.33Å; Y165-A533 HydrophobicContact CD1-CB 4.02Å; Y165-A533 HydrophobicContact CE1-CB 4.11Å; Y165-R534 HydrophobicContact CD1-CG 4.25Å; Y165-R534 HydrophobicContact CD2-CG 4.27Å; Y165-R534 HydrophobicContact CE1-CB 4.1Å; Y165-R534 HydrophobicContact CE1-CG 3.93Å; Y165-R534 HydrophobicContact CE2-CB 4.26Å; Y165-R534 VanDerWaalsContact CE2-CD 3.41Å; Y165-R534 HydrophobicContact CE2-CG 3.95Å; Y165-R534 HydrophobicContact CG-CG 4.43Å; Y165-R534 WeakPolarHBondContact O-CG 3.29Å; Y165-R534 PolarHBondContact O-NE 3.29Å
166	T	93.6	Very high	86	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.5	-179.5	41	0	0	0	0	114.7	T141 V144 R164 I168 T182 V184 D202 A533	T141-T166 WeakPolarHBondContact CG2-OG1 3.28Å; V144-T166 HydrophobicContact CB-CG2 4.33Å; V144-T166 HydrophobicContact CG1-CG2 3.73Å; R164-T166 VanDerWaalsContact C-N 3.31Å; R164-T166 PolarHBondContact O-N 3.28Å; T166-I168 PolarHBondContact O-N 3.49Å; T166-T182 HydrophobicContact CG2-CG2 4.38Å; T166-T182 WeakPolarHBondContact O-CB 3.35Å; T166-T182 PolarHBondContact O-OG1 3.12Å; T166-V184 HydrophobicContact CG2-CG2 3.52Å; T166-D202 WeakPolarHBondContact CB-OD2 3.47Å; T166-D202 HydrophobicContact CG2-CB 4.01Å; T166-D202 PolarHBondContact OG1-OD2 3.48Å; T166-A533 HydrophobicContact CG2-CB 4.12Å
167	D	93.9	Very high	86.5	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.032	28%	0.28	C	S	.	.			trans	-79.5	75.9	173.3	-64.7	-2.8	0	0	0	108.5	T141 R164 E172 Q173	T141-D167 WeakPolarHBondContact CG2-OD1 3.37Å; R164-D167 HydrophobicContact CB-CB 4.02Å; R164-D167 VanDerWaalsContact CD-OD2 3.25Å; R164-D167 WeakPolarHBondContact CD-OD2 3.46Å; R164-D167 PolarHBondContact O-N 3.1Å; D167-E172 WeakPolarHBondContact CA-OE2 3.42Å; D167-E172 HydrophobicContact CB-CB 3.9Å; D167-Q173 WeakPolarHBondContact O-CG 3.45Å; D167-Q173 PolarHBondContact O-NE2 2.92Å
168	I	93.6	Very high	87.2	Confident	19 Å²	19	58.6 Å²	58.6	10%	0.097	28%	0.279	C	S	.	.			trans	-80.5	-25.3	-171.9	62.4	173.9	0	0	0	112.7	T101 L102 T166 E172 T182 A533 R534	T101-I168 CarbonylContact C-O 3.55Å; T101-I168 WeakPolarHBondContact CA-O 3.48Å; T101-I168 HydrophobicContact CG2-CD1 4.39Å; T101-I168 HydrophobicContact CG2-CG1 4.45Å; L102-I168 PolarHBondContact N-O 3.29Å; T166-I168 PolarHBondContact O-N 3.49Å; I168-E172 PolarHBondContact N-OE2 3.29Å; I168-T182 HydrophobicContact CD1-CG2 4.48Å; I168-T182 HydrophobicContact CG2-CG2 4.45Å; I168-A533 HydrophobicContact CG2-CB 4.15Å; I168-R534 HydrophobicContact CG2-CG 3.92Å
169	L	93.1	Very high	88.1	Confident	15 Å²	15	49.1 Å²	49.1	8%	0.079	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-79.6	140.3	179.5	-67.9	166.6	0	0	0	110.5	T101 T171 E172 Q173 K180 M645	T101-L169 HydrophobicContact CG2-CD2 3.48Å; T101-L169 VanDerWaalsContact CG2-CD2 3.48Å; T101-L169 HydrophobicContact CG2-CG 4.34Å; L169-T171 PolarHBondContact O-N 3.44Å; L169-E172 HydrophobicContact CB-CB 4.38Å; L169-E172 HydrophobicContact CB-CG 3.94Å; L169-E172 HydrophobicContact CD1-CG 4.41Å; L169-E172 PolarHBondContact N-OE2 2.98Å; L169-E172 WeakPolarHBondContact O-CB 3.34Å; L169-E172 PolarHBondContact O-N 3.42Å; L169-Q173 PolarHBondContact O-N 3.25Å; L169-K180 HydrophobicContact CD1-CB 4.37Å; L169-K180 HydrophobicContact CD1-CG 3.53Å; L169-M645 HydrophobicContact CD2-CE 4.25Å
170	F	92.5	Very high	89.3	Confident	69 Å²	69	45.1 Å²	45.1	30%	0.303	22%	0.222	S	C	.	.	H	α-helix	trans	-60.2	-34.8	175.4	-63.7	-47.2	0	0	0	112.3	Q99 F100 L102 E172 Q173 E174	Q99-F170 HydrophobicContact CG-CE2 4.43Å; Q99-F170 VanDerWaalsContact O-CE2 3.29Å; Q99-F170 WeakPolarHBondContact O-CE2 3.48Å; F100-F170 WeakPolarHBondContact O-CD2 3.43Å; F100-F170 PolarHBondContact O-N 3.47Å; L102-F170 HydrophobicContact CB-CE1 4.15Å; L102-F170 HydrophobicContact CD1-CE1 4.44Å; F170-E172 VanDerWaalsContact C-N 3.29Å; F170-E172 PolarHBondContact O-N 2.86Å; F170-Q173 PolarHBondContact O-N 3.44Å; F170-E174 WeakPolarHBondContact O-CG 3.3Å; F170-E174 PolarHBondContact O-N 3.11Å
171	T	92.6	Very high	90.5	Very high	10 Å²	10	38.2 Å²	38.2	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-38.9	174	-46	0	0	0	0	112.5	L169 R175 I179 H640	L169-T171 PolarHBondContact O-N 3.44Å; T171-R175 WeakPolarHBondContact O-CB 3.3Å; T171-R175 WeakPolarHBondContact O-CG 3.48Å; T171-R175 PolarHBondContact O-N 2.9Å; T171-I179 HydrophobicContact CG2-CD1 3.61Å; T171-H640 PolarHBondContact OG1-CE1 3.33Å; T171-H640 PolarHBondContact OG1-ND1 2.63Å
172	E	92.8	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-40.4	178.2	-67.1	177.1	135.9	0	0	111.1	D167 I168 L169 F170 G176 V177 I179 K180	D167-E172 WeakPolarHBondContact CA-OE2 3.42Å; D167-E172 HydrophobicContact CB-CB 3.9Å; I168-E172 PolarHBondContact N-OE2 3.29Å; L169-E172 HydrophobicContact CB-CB 4.38Å; L169-E172 HydrophobicContact CB-CG 3.94Å; L169-E172 HydrophobicContact CD1-CG 4.41Å; L169-E172 PolarHBondContact N-OE2 2.98Å; L169-E172 WeakPolarHBondContact O-CB 3.34Å; L169-E172 PolarHBondContact O-N 3.42Å; F170-E172 VanDerWaalsContact C-N 3.29Å; F170-E172 PolarHBondContact O-N 2.86Å; E172-G176 WeakPolarHBondContact O-CA 3.48Å; E172-G176 PolarHBondContact O-N 3.46Å; E172-V177 PolarHBondContact O-N 2.84Å; E172-I179 HydrophobicContact CG-CB 3.79Å; E172-I179 HydrophobicContact CG-CD1 3.78Å; E172-I179 HydrophobicContact CG-CG1 3.85Å; E172-I179 WeakPolarHBondContact OE1-CA 3.38Å; E172-I179 PolarHBondContact OE1-N 2.8Å; E172-K180 PolarHBondContact OE1-N 2.83Å
173	Q	89.9	Confident	92.4	Very high	62 Å²	62	29.4 Å²	29.4	29%	0.29	14%	0.14	S	C	.	.	H	α-helix	trans	-67	-43.4	178.8	-65	176.9	6.8	0	0	112	D167 L169 F170	D167-Q173 WeakPolarHBondContact O-CG 3.45Å; D167-Q173 PolarHBondContact O-NE2 2.92Å; L169-Q173 PolarHBondContact O-N 3.25Å; F170-Q173 PolarHBondContact O-N 3.44Å
174	E	91.4	Very high	93.2	Very high	164 Å²	164	27.7 Å²	27.7	77%	0.766	13%	0.131	S	C	*	.	H	α-helix	trans	-67.4	-45	178.6	-72.9	-178.2	-179.6	0	0	112.2	F170 G176	F170-E174 WeakPolarHBondContact O-CG 3.3Å; F170-E174 PolarHBondContact O-N 3.11Å; E174-G176 VanDerWaalsContact C-N 3.34Å
175	R	90.6	Very high	93.7	Very high	98 Å²	98	24.4 Å²	24.4	37%	0.37	12%	0.119	S	C	.	.	H	α-helix	trans	-76.3	-25.9	178.4	-68	-175.1	179.7	-103.2	-5.7	112.9	T171 V177 L633 D636	T171-R175 WeakPolarHBondContact O-CB 3.3Å; T171-R175 WeakPolarHBondContact O-CG 3.48Å; T171-R175 PolarHBondContact O-N 2.9Å; R175-V177 PolarHBondContact O-N 3.23Å; R175-L633 VanDerWaalsContact NH1-CD1 3.31Å; R175-D636 IonicContact CZ-OD2 3.64Å; R175-D636 IonicContact NH1-OD2 2.78Å; R175-D636 PolarHBondContact NH1-OD2 3.39Å; R175-D636 VanDerWaalsContact NH2-CG 3.29Å; R175-D636 IonicContact NH2-OD1 3.62Å; R175-D636 IonicContact NH2-OD2 3.43Å; R175-D636 PolarHBondContact NH2-OD2 3.26Å
176	G	89.9	Confident	93.9	Very high	13 Å²	13	24.4 Å²	24.4	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	17.9	-174.1	0	0	0	0	0	114.9	H137 R164 E172 E174	H137-G176 PolarHBondContact CE1-O 2.9Å; H137-G176 VanDerWaalsContact CE1-O 3.26Å; R164-G176 PolarHBondContact NH1-O 2.82Å; E172-G176 WeakPolarHBondContact O-CA 3.48Å; E172-G176 PolarHBondContact O-N 3.46Å; E174-G176 VanDerWaalsContact C-N 3.34Å
177	V	91.8	Very high	94.1	Very high	17 Å²	17	24.6 Å²	24.6	10%	0.103	12%	0.12	C	C	.	.	S	Bend	trans	-121.2	128.4	179.5	178.1	0	0	0	0	107.5	L136 E172 R175 I179 H206 L633	L136-V177 HydrophobicContact CD1-CG1 4Å; L136-V177 HydrophobicContact CD1-CG2 4.42Å; E172-V177 PolarHBondContact O-N 2.84Å; R175-V177 PolarHBondContact O-N 3.23Å; V177-I179 PolarHBondContact O-N 3.33Å; V177-H206 HydrophobicContact CG1-CB 4.05Å; V177-L633 HydrophobicContact CG1-CD2 4.47Å
178	G	93.3	Very high	94.3	Very high	13 Å²	13	24.3 Å²	24.3	13%	0.134	12%	0.119	C	C	.	.			trans	-62.8	130.5	169.7	0	0	0	0	0	110.1	P204	G178-P204 WeakPolarHBondContact O-CB 3.25Å
179	I	95.3	Very high	94.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.121	C	C	.	.			trans	-109.8	-44.2	-176.6	-65.5	164.8	0	0	0	109.2	T171 E172 V177 F209 Y612 C637	T171-I179 HydrophobicContact CG2-CD1 3.61Å; E172-I179 HydrophobicContact CG-CB 3.79Å; E172-I179 HydrophobicContact CG-CD1 3.78Å; E172-I179 HydrophobicContact CG-CG1 3.85Å; E172-I179 WeakPolarHBondContact OE1-CA 3.38Å; E172-I179 PolarHBondContact OE1-N 2.8Å; V177-I179 PolarHBondContact O-N 3.33Å; I179-F209 HydrophobicContact CB-CZ 4.45Å; I179-F209 HydrophobicContact CG1-CE2 4.21Å; I179-F209 HydrophobicContact CG1-CZ 4.18Å; I179-F209 HydrophobicContact CG2-CD1 4.28Å; I179-F209 HydrophobicContact CG2-CE1 3.81Å; I179-F209 HydrophobicContact CG2-CZ 3.99Å; I179-Y612 HydrophobicContact CG2-CE1 4.18Å; I179-C637 HydrophobicContact CD1-CB 4.4Å; I179-C637 VanDerWaalsContact CD1-SG 3.5Å; I179-C637 HydrophobicContact CG2-CB 4.25Å
180	K	95.8	Very high	94.6	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.065	12%	0.118	C	C	.	.	S	Bend	trans	-105.6	147.1	-179.4	-61	-58.7	-178.9	176.1	0	110.3	L169 E172 E212 S611 Y612	L169-K180 HydrophobicContact CD1-CB 4.37Å; L169-K180 HydrophobicContact CD1-CG 3.53Å; E172-K180 PolarHBondContact OE1-N 2.83Å; K180-E212 WeakPolarHBondContact CD-OE1 3.15Å; K180-E212 IonicContact NZ-OE1 3.37Å; K180-E212 PolarHBondContact NZ-OE1 3.43Å; K180-E212 VanDerWaalsContact NZ-OE1 3.08Å; K180-S611 WeakPolarHBondContact CE-OG 3.35Å; K180-S611 PolarHBondContact NZ-O 3.28Å; K180-S611 PolarHBondContact NZ-OG 2.84Å; K180-Y612 VanDerWaalsContact NZ-CD2 3.3Å; K180-Y612 VanDerWaalsContact NZ-CE2 3.31Å
181	S	96.6	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.			trans	-69	133.2	164.9	65.3	0	0	0	0	108.6	M201 D202 E212 Y480	S181-M201 VanDerWaalsContact CB-SD 3.6Å; S181-D202 CarbonylContact C-O 3.47Å; S181-D202 WeakPolarHBondContact CA-O 3.28Å; S181-E212 PolarHBondContact N-OE2 3.09Å; S181-Y480 WeakPolarHBondContact O-CE1 3.38Å; S181-Y480 VanDerWaalsContact O-CZ 3.29Å; S181-Y480 PolarHBondContact O-OH 3.43Å; S181-Y480 PolarHBondContact OG-OH 3.46Å
182	T	96.8	Very high	94.4	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	178.7	-59.6	0	0	0	0	109.9	T166 I168 D202 A533	T166-T182 HydrophobicContact CG2-CG2 4.38Å; T166-T182 WeakPolarHBondContact O-CB 3.35Å; T166-T182 PolarHBondContact O-OG1 3.12Å; I168-T182 HydrophobicContact CD1-CG2 4.48Å; I168-T182 HydrophobicContact CG2-CG2 4.45Å; T182-D202 PolarHBondContact N-O 3.13Å; T182-D202 PolarHBondContact O-N 3.33Å; T182-A533 HydrophobicContact CG2-CB 3.55Å
183	P	97.2	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.2	179.6	31.7	-32.4	0	0	0	111.3	I200 M201 Y480 F491 N531 A533 W547	P183-I200 CarbonylContact C-O 3.5Å; P183-I200 WeakPolarHBondContact CA-O 3.41Å; P183-M201 HydrophobicContact CB-CE 3.81Å; P183-M201 HydrophobicContact CB-SD 4.02Å; P183-M201 HydrophobicContact CG-CE 4.35Å; P183-Y480 WeakPolarHBondContact CD-OH 3.39Å; P183-Y480 HydrophobicContact CG-CE2 4.14Å; P183-F491 HydrophobicContact CB-CE1 4.21Å; P183-F491 HydrophobicContact CB-CE2 3.88Å; P183-F491 HydrophobicContact CB-CZ 3.47Å; P183-F491 VanDerWaalsContact CB-CZ 3.47Å; P183-F491 HydrophobicContact CG-CD2 4.21Å; P183-F491 HydrophobicContact CG-CE1 4.27Å; P183-F491 HydrophobicContact CG-CE2 3.61Å; P183-F491 HydrophobicContact CG-CZ 3.64Å; P183-N531 HydrophobicContact CG-CB 3.99Å; P183-N531 WeakPolarHBondContact CG-ND2 3.36Å; P183-A533 PolarHBondContact O-N 2.87Å; P183-A533 VanDerWaalsContact O-N 3.11Å; P183-W547 HydrophobicContact CB-CE3 4.09Å; P183-W547 HydrophobicContact CB-CZ3 4.21Å
184	V	97.4	Very high	94.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	116.3	175.9	-170.4	0	0	0	0	109.2	V144 I148 T166 M186 I200 V532 A533	V144-V184 HydrophobicContact CG1-CG2 4.13Å; I148-V184 HydrophobicContact CD1-CG1 3.84Å; T166-V184 HydrophobicContact CG2-CG2 3.52Å; V184-M186 HydrophobicContact CB-CE 4.19Å; V184-M186 HydrophobicContact CG1-CE 3.21Å; V184-I200 PolarHBondContact N-O 2.92Å; V184-I200 PolarHBondContact O-N 3.46Å; V184-V532 HydrophobicContact CG1-CG1 3.62Å; V184-A533 HydrophobicContact CG2-CB 3.95Å
185	T	97.9	Very high	95	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.8	172.8	-61.4	0	0	0	0	110.7	L117 L197 F198 N199 I530 N531 V532	L117-T185 HydrophobicContact CD1-CG2 4.41Å; T185-L197 HydrophobicContact CG2-CD1 4.32Å; T185-L197 HydrophobicContact CG2-CD2 3.9Å; T185-L197 HydrophobicContact CG2-CG 4.13Å; T185-F198 WeakPolarHBondContact CA-O 3.37Å; T185-N199 WeakPolarHBondContact CB-OD1 3.47Å; T185-N199 WeakPolarHBondContact CG2-OD1 3.49Å; T185-N199 PolarHBondContact OG1-OD1 3.42Å; T185-I530 VanDerWaalsContact CB-CG2 3.47Å; T185-I530 HydrophobicContact CG2-CG2 3.61Å; T185-N531 PolarHBondContact N-O 3.04Å; T185-V532 WeakPolarHBondContact O-CG2 3.08Å
186	M	96.6	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.8	179.3	63.4	178.8	75	0	0	112.3	Y112 L147 I148 T151 V184 L188 F198	Y112-M186 HydrophobicContact CE1-CB 4.46Å; Y112-M186 WeakPolarHBondContact OH-CA 3.28Å; L147-M186 HydrophobicContact CB-CE 4.13Å; L147-M186 HydrophobicContact CB-SD 3.73Å; I148-M186 HydrophobicContact CD1-CE 3.59Å; I148-M186 HydrophobicContact CG1-CE 4.12Å; T151-M186 HydrophobicContact CG2-CB 4.43Å; T151-M186 HydrophobicContact CG2-SD 4.09Å; V184-M186 HydrophobicContact CB-CE 4.19Å; V184-M186 HydrophobicContact CG1-CE 3.21Å; M186-L188 HydrophobicContact CG-CD1 4.31Å; M186-L188 HydrophobicContact CG-CD2 4.25Å; M186-L188 HydrophobicContact CG-CG 4.04Å; M186-L188 HydrophobicContact SD-CD1 4.18Å; M186-L188 HydrophobicContact SD-CD2 3.82Å; M186-L188 HydrophobicContact SD-CG 4.13Å; M186-F198 PolarHBondContact N-O 2.95Å; M186-F198 PolarHBondContact O-N 3.26Å
187	V	97.8	Very high	95.7	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124	177.3	-178.3	0	0	0	0	109.9	Y112 F116 L117 L120 F196	Y112-V187 HydrophobicContact CD1-CB 3.7Å; Y112-V187 HydrophobicContact CD1-CG2 4.35Å; Y112-V187 HydrophobicContact CD2-CB 4.27Å; Y112-V187 HydrophobicContact CD2-CG2 4.05Å; Y112-V187 HydrophobicContact CE1-CB 3.92Å; Y112-V187 HydrophobicContact CE1-CG2 4.44Å; Y112-V187 HydrophobicContact CE2-CB 4.5Å; Y112-V187 HydrophobicContact CE2-CG2 4.17Å; Y112-V187 HydrophobicContact CG-CB 3.89Å; Y112-V187 HydrophobicContact CG-CG2 4.16Å; F116-V187 HydrophobicContact CD1-CG1 4.33Å; F116-V187 HydrophobicContact CE1-CG1 3.94Å; L117-V187 HydrophobicContact CB-CG2 4.07Å; L117-V187 HydrophobicContact CD1-CG2 4.29Å; L117-V187 HydrophobicContact CG-CG2 4.16Å; L120-V187 HydrophobicContact CD1-CB 4.45Å; L120-V187 HydrophobicContact CD1-CG1 3.69Å; L120-V187 HydrophobicContact CD1-CG2 3.88Å; V187-F196 WeakPolarHBondContact CA-O 3.21Å
188	L	97.4	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.2	-176.8	-62.1	175.5	0	0	0	111.8	L147 T151 M186 S195 F196 F198 I200 F428 V429	L147-L188 HydrophobicContact CD1-CD1 4.39Å; L147-L188 HydrophobicContact CD2-CD1 4.19Å; L147-L188 HydrophobicContact CD2-CD2 4.38Å; T151-L188 HydrophobicContact CG2-CD2 3.73Å; M186-L188 HydrophobicContact CG-CD1 4.31Å; M186-L188 HydrophobicContact CG-CD2 4.25Å; M186-L188 HydrophobicContact CG-CG 4.04Å; M186-L188 HydrophobicContact SD-CD1 4.18Å; M186-L188 HydrophobicContact SD-CD2 3.82Å; M186-L188 HydrophobicContact SD-CG 4.13Å; L188-S195 WeakPolarHBondContact O-CA 3.25Å; L188-F196 PolarHBondContact N-O 3.35Å; L188-F196 PolarHBondContact O-N 3.48Å; L188-F198 HydrophobicContact CB-CD2 3.97Å; L188-F198 HydrophobicContact CB-CE2 4.31Å; L188-F198 HydrophobicContact CD1-CB 4.11Å; L188-F198 HydrophobicContact CD1-CD1 4.37Å; L188-F198 HydrophobicContact CD1-CD2 4.04Å; L188-F198 HydrophobicContact CD1-CG 3.92Å; L188-F198 HydrophobicContact CG-CD2 4.31Å; L188-I200 HydrophobicContact CD1-CD1 4.43Å; L188-F428 HydrophobicContact CD1-CE1 4.39Å; L188-V429 HydrophobicContact CB-CG2 3.58Å; L188-V429 HydrophobicContact CD1-CG2 4.11Å; L188-V429 HydrophobicContact CG-CG2 4.44Å
189	P	96.8	Very high	96.3	Very high	22 Å²	22	20.8 Å²	20.8	14%	0.143	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.6	176.2	32.3	-34.5	0	0	0	112.9	E424 V429	P189-E424 WeakPolarHBondContact CG-OE2 3.29Å; P189-V429 WeakPolarHBondContact O-CG2 3.48Å
190	D	95.1	Very high	96.4	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	11%	0.11	C	C	.	.			trans	-79.1	174.9	170.4	84.4	-12.4	0	0	0	111.9	R192 G193 K194 F196 V429	D190-R192 PolarHBondContact O-N 3.08Å; D190-R192 VanDerWaalsContact OD1-C 3.31Å; D190-R192 VanDerWaalsContact OD1-CA 3.25Å; D190-R192 WeakPolarHBondContact OD1-CA 3.02Å; D190-R192 VanDerWaalsContact OD1-CB 3.31Å; D190-R192 WeakPolarHBondContact OD1-CB 3.33Å; D190-R192 PolarHBondContact OD1-N 2.78Å; D190-R192 IonicContact OD2-CZ 3.82Å; D190-R192 IonicContact OD2-NE 3.85Å; D190-R192 PolarHBondContact OD2-NE 2.69Å; D190-R192 IonicContact OD2-NH2 2.92Å; D190-R192 PolarHBondContact OD2-NH2 3.13Å; D190-G193 PolarHBondContact O-N 3.41Å; D190-G193 PolarHBondContact OD1-N 3.29Å; D190-K194 PolarHBondContact N-O 3.02Å; D190-K194 PolarHBondContact OD1-N 3.4Å; D190-F196 HydrophobicContact CB-CD2 4.32Å; D190-F196 HydrophobicContact CB-CE2 4.01Å; D190-V429 HydrophobicContact CB-CG1 3.85Å
191	S	91.3	Very high	96.5	Very high	3 Å²	3	20 Å²	20	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.2	176.1	-81.8	0	0	0	0	114.3	K323 D430	S191-K323 WeakPolarHBondContact O-CD 3.46Å; S191-K323 WeakPolarHBondContact O-CE 3.29Å; S191-K323 PolarHBondContact O-NZ 2.63Å; S191-D430 WeakPolarHBondContact CB-OD1 3.2Å; S191-D430 WeakPolarHBondContact CB-OD2 3.11Å; S191-D430 PolarHBondContact N-OD1 3.42Å; S191-D430 PolarHBondContact OG-OD2 2.86Å
192	R	91.2	Very high	96.6	Very high	173 Å²	173	20.3 Å²	20.3	65%	0.653	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.8	176	-59.8	172.8	-66	-173.8	-2.8	112	D190	D190-R192 PolarHBondContact O-N 3.08Å; D190-R192 VanDerWaalsContact OD1-C 3.31Å; D190-R192 VanDerWaalsContact OD1-CA 3.25Å; D190-R192 WeakPolarHBondContact OD1-CA 3.02Å; D190-R192 VanDerWaalsContact OD1-CB 3.31Å; D190-R192 WeakPolarHBondContact OD1-CB 3.33Å; D190-R192 PolarHBondContact OD1-N 2.78Å; D190-R192 IonicContact OD2-CZ 3.82Å; D190-R192 IonicContact OD2-NE 3.85Å; D190-R192 PolarHBondContact OD2-NE 2.69Å; D190-R192 IonicContact OD2-NH2 2.92Å; D190-R192 PolarHBondContact OD2-NH2 3.13Å
193	G	91.9	Very high	96.6	Very high	57 Å²	57	20.3 Å²	20.3	59%	0.588	11%	0.109	S	C	*	.	S	Bend	trans	82.7	11	-176	0	0	0	0	0	114	D190	D190-G193 PolarHBondContact O-N 3.41Å; D190-G193 PolarHBondContact OD1-N 3.29Å
194	K	96.3	Very high	96.6	Very high	101 Å²	101	20.4 Å²	20.4	44%	0.439	11%	0.109	S	C	.	.			trans	-82.4	123.8	172.1	-177.3	175.8	178.9	-178.1	0	109	L126 D190 F196	L126-K194 VanDerWaalsContact CD2-CE 3.5Å; L126-K194 VanDerWaalsContact CD2-NZ 3.27Å; D190-K194 PolarHBondContact N-O 3.02Å; D190-K194 PolarHBondContact OD1-N 3.4Å; K194-F196 HydrophobicContact CB-CE2 4.05Å; K194-F196 HydrophobicContact CD-CE2 3.96Å; K194-F196 HydrophobicContact CD-CZ 3.75Å; K194-F196 HydrophobicContact CG-CD2 4.45Å; K194-F196 HydrophobicContact CG-CE2 3.81Å; K194-F196 HydrophobicContact CG-CZ 4.11Å; K194-F196 VanDerWaalsContact O-CD2 3.31Å; K194-F196 WeakPolarHBondContact O-CD2 3.38Å
195	S	97.3	Very high	96.4	Very high	39 Å²	39	20.7 Å²	20.7	27%	0.273	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.2	177.4	-59	0	0	0	0	112.3	L188	L188-S195 WeakPolarHBondContact O-CA 3.25Å
196	F	98.1	Very high	96.3	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.4	176.2	-69.4	-94.4	0	0	0	109.3	L126 V187 L188 D190 K194 F198 V429 V433	L126-F196 HydrophobicContact CB-CD1 4.32Å; L126-F196 HydrophobicContact CD2-CD1 4.17Å; L126-F196 HydrophobicContact CD2-CE1 3.83Å; L126-F196 WeakPolarHBondContact O-CA 3.46Å; L126-F196 WeakPolarHBondContact O-CB 3.32Å; L126-F196 WeakPolarHBondContact O-CD1 3.44Å; V187-F196 WeakPolarHBondContact CA-O 3.21Å; L188-F196 PolarHBondContact N-O 3.35Å; L188-F196 PolarHBondContact O-N 3.48Å; D190-F196 HydrophobicContact CB-CD2 4.32Å; D190-F196 HydrophobicContact CB-CE2 4.01Å; K194-F196 HydrophobicContact CB-CE2 4.05Å; K194-F196 HydrophobicContact CD-CE2 3.96Å; K194-F196 HydrophobicContact CD-CZ 3.75Å; K194-F196 HydrophobicContact CG-CD2 4.45Å; K194-F196 HydrophobicContact CG-CE2 3.81Å; K194-F196 HydrophobicContact CG-CZ 4.11Å; K194-F196 VanDerWaalsContact O-CD2 3.31Å; K194-F196 WeakPolarHBondContact O-CD2 3.38Å; F196-F198 HydrophobicContact CB-CD2 4.12Å; F196-F198 HydrophobicContact CB-CE2 3.78Å; F196-V429 HydrophobicContact CD2-CG1 4.47Å; F196-V433 HydrophobicContact CB-CG2 4.4Å; F196-V433 HydrophobicContact CD1-CG2 3.98Å; F196-V433 HydrophobicContact CD2-CG2 3.79Å; F196-V433 HydrophobicContact CE1-CG1 3.88Å; F196-V433 HydrophobicContact CE1-CG2 4.16Å; F196-V433 HydrophobicContact CE2-CG1 4.1Å; F196-V433 HydrophobicContact CE2-CG2 3.98Å; F196-V433 HydrophobicContact CG-CG2 3.8Å; F196-V433 HydrophobicContact CZ-CG1 3.65Å; F196-V433 HydrophobicContact CZ-CG2 4.16Å
197	L	98.3	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.2	173.8	-172.5	146.8	0	0	0	109.1	L117 L120 M121 L126 I127 R128 T185 N199	L117-L197 HydrophobicContact CD2-CD1 4.25Å; L117-L197 HydrophobicContact CG-CD1 4.08Å; L117-L197 WeakPolarHBondContact O-CD1 3.46Å; L120-L197 HydrophobicContact CB-CB 4.04Å; L120-L197 HydrophobicContact CB-CD1 4.09Å; L120-L197 HydrophobicContact CD1-CB 4.41Å; M121-L197 HydrophobicContact CB-CD1 4.48Å; M121-L197 HydrophobicContact CG-CD1 3.48Å; M121-L197 VanDerWaalsContact CG-CD1 3.48Å; L126-L197 PolarHBondContact O-N 2.85Å; I127-L197 CarbonylContact C-O 3.6Å; I127-L197 WeakPolarHBondContact CA-O 3.47Å; I127-L197 HydrophobicContact CG1-CB 4.2Å; I127-L197 HydrophobicContact CG1-CD2 4.14Å; I127-L197 HydrophobicContact CG2-CD2 3.92Å; R128-L197 PolarHBondContact N-O 2.79Å; T185-L197 HydrophobicContact CG2-CD1 4.32Å; T185-L197 HydrophobicContact CG2-CD2 3.9Å; T185-L197 HydrophobicContact CG2-CG 4.13Å; L197-N199 WeakPolarHBondContact CD2-OD1 3.43Å
198	F	98.3	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.1	179.5	-88.5	-101.5	0	0	0	109.5	R128 V130 T185 M186 L188 F196 I200 F428 V429 C432 V433	R128-F198 HydrophobicContact CB-CD1 4.16Å; R128-F198 HydrophobicContact CB-CE1 4.04Å; R128-F198 HydrophobicContact CB-CG 4.49Å; R128-F198 HydrophobicContact CB-CZ 4.26Å; R128-F198 HydrophobicContact CG-CE1 4.49Å; R128-F198 HydrophobicContact CG-CZ 4.26Å; V130-F198 HydrophobicContact CG2-CD1 4.25Å; V130-F198 HydrophobicContact CG2-CE1 4.27Å; T185-F198 WeakPolarHBondContact CA-O 3.37Å; M186-F198 PolarHBondContact N-O 2.95Å; M186-F198 PolarHBondContact O-N 3.26Å; L188-F198 HydrophobicContact CB-CD2 3.97Å; L188-F198 HydrophobicContact CB-CE2 4.31Å; L188-F198 HydrophobicContact CD1-CB 4.11Å; L188-F198 HydrophobicContact CD1-CD1 4.37Å; L188-F198 HydrophobicContact CD1-CD2 4.04Å; L188-F198 HydrophobicContact CD1-CG 3.92Å; L188-F198 HydrophobicContact CG-CD2 4.31Å; F196-F198 HydrophobicContact CB-CD2 4.12Å; F196-F198 HydrophobicContact CB-CE2 3.78Å; F198-I200 HydrophobicContact CB-CD1 4.15Å; F198-I200 HydrophobicContact CB-CG1 3.96Å; F198-I200 HydrophobicContact CD1-CD1 4.4Å; F198-I200 HydrophobicContact CD1-CG1 4.33Å; F198-F428 HydrophobicContact CD1-CE1 4.12Å; F198-F428 AromaticContact CE1-CE1 3.95Å; F198-F428 HydrophobicContact CE1-CE1 3.95Å; F198-V429 HydrophobicContact CE2-CB 4.46Å; F198-V429 HydrophobicContact CE2-CG1 3.78Å; F198-V429 HydrophobicContact CE2-CG2 4.35Å; F198-V429 HydrophobicContact CZ-CB 4.34Å; F198-V429 HydrophobicContact CZ-CG1 3.98Å; F198-V429 HydrophobicContact CZ-CG2 4.42Å; F198-C432 HydrophobicContact CE1-CB 3.46Å; F198-C432 VanDerWaalsContact CE1-CB 3.46Å; F198-C432 HydrophobicContact CZ-CB 3.73Å; F198-V433 HydrophobicContact CE2-CG2 4.32Å; F198-V433 HydrophobicContact CZ-CG2 4.15Å
199	N	98.3	Very high	96.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	101.6	166.2	-70.3	-34.2	0	0	0	107	R128 N129 V130 T185 L197 W547	R128-N199 PolarHBondContact O-N 2.98Å; N129-N199 VanDerWaalsContact OD1-CB 3.29Å; N129-N199 WeakPolarHBondContact OD1-CB 3.23Å; N129-N199 PolarHBondContact OD1-ND2 2.97Å; V130-N199 PolarHBondContact N-O 2.85Å; T185-N199 WeakPolarHBondContact CB-OD1 3.47Å; T185-N199 WeakPolarHBondContact CG2-OD1 3.49Å; T185-N199 PolarHBondContact OG1-OD1 3.42Å; L197-N199 WeakPolarHBondContact CD2-OD1 3.43Å; N199-W547 HydrophobicContact CB-CD2 3.71Å; N199-W547 HydrophobicContact CB-CE3 3.61Å; N199-W547 HydrophobicContact CB-CG 4.23Å; N199-W547 HydrophobicContact CB-CH2 4.25Å; N199-W547 HydrophobicContact CB-CZ2 4.34Å; N199-W547 HydrophobicContact CB-CZ3 3.91Å; N199-W547 VanDerWaalsContact O-CH2 3.31Å; N199-W547 WeakPolarHBondContact O-CH2 3.48Å
200	I	98.4	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.6	-174.4	-57.8	-178.5	0	0	0	109.1	V130 L132 L147 P183 V184 L188 F198 F428	V130-I200 CarbonylContact O-C 3.58Å; V130-I200 VanDerWaalsContact O-CA 3.3Å; V130-I200 WeakPolarHBondContact O-CA 3.34Å; L132-I200 HydrophobicContact CD1-CG2 3.63Å; L132-I200 HydrophobicContact CD2-CG2 3.95Å; L132-I200 HydrophobicContact CG-CG2 3.51Å; L147-I200 HydrophobicContact CD1-CD1 3.64Å; P183-I200 CarbonylContact C-O 3.5Å; P183-I200 WeakPolarHBondContact CA-O 3.41Å; V184-I200 PolarHBondContact N-O 2.92Å; V184-I200 PolarHBondContact O-N 3.46Å; L188-I200 HydrophobicContact CD1-CD1 4.43Å; F198-I200 HydrophobicContact CB-CD1 4.15Å; F198-I200 HydrophobicContact CB-CG1 3.96Å; F198-I200 HydrophobicContact CD1-CD1 4.4Å; F198-I200 HydrophobicContact CD1-CG1 4.33Å; I200-F428 HydrophobicContact CD1-CE1 4.22Å; I200-F428 HydrophobicContact CD1-CZ 4.43Å
201	M	98.2	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.1	169	-172.5	65	70.9	0	0	108.9	V130 L132 S181 P183 T203 F491 W547	V130-M201 PolarHBondContact O-N 3.32Å; L132-M201 PolarHBondContact N-O 3.13Å; S181-M201 VanDerWaalsContact CB-SD 3.6Å; P183-M201 HydrophobicContact CB-CE 3.81Å; P183-M201 HydrophobicContact CB-SD 4.02Å; P183-M201 HydrophobicContact CG-CE 4.35Å; M201-T203 HydrophobicContact CB-CG2 4.44Å; M201-T203 HydrophobicContact CG-CG2 3.66Å; M201-F491 HydrophobicContact CE-CD1 4.08Å; M201-F491 HydrophobicContact CE-CE1 3.28Å; M201-F491 HydrophobicContact CE-CZ 3.9Å; M201-W547 HydrophobicContact CB-CH2 3.61Å; M201-W547 HydrophobicContact CB-CZ3 3.84Å; M201-W547 HydrophobicContact CE-CE3 4.43Å; M201-W547 HydrophobicContact CE-CH2 4.44Å; M201-W547 HydrophobicContact CE-CZ3 4.06Å
202	D	98	Very high	96.4	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.032	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.9	167.4	-168.6	21.1	0	0	0	108.5	K140 T141 V144 T166 S181 T182	K140-D202 WeakPolarHBondContact CB-OD1 3.44Å; T141-D202 VanDerWaalsContact CA-OD2 3.29Å; T141-D202 WeakPolarHBondContact CA-OD2 3.39Å; T141-D202 PolarHBondContact OG1-OD2 3.03Å; V144-D202 HydrophobicContact CG2-CB 4.15Å; T166-D202 WeakPolarHBondContact CB-OD2 3.47Å; T166-D202 HydrophobicContact CG2-CB 4.01Å; T166-D202 PolarHBondContact OG1-OD2 3.48Å; S181-D202 CarbonylContact C-O 3.47Å; S181-D202 WeakPolarHBondContact CA-O 3.28Å; T182-D202 PolarHBondContact N-O 3.13Å; T182-D202 PolarHBondContact O-N 3.33Å
203	T	97.1	Very high	96.6	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.025	7%	0.074	C	C	.	.			trans	-113.9	149.9	-174.5	63.9	0	0	0	0	111.8	T131 L132 C133 K140 M201 V213	T131-T203 HydrophobicContact CG2-CG2 3.57Å; L132-T203 PolarHBondContact O-N 3.42Å; L132-T203 PolarHBondContact O-OG1 2.96Å; C133-T203 WeakPolarHBondContact CA-OG1 3.45Å; K140-T203 WeakPolarHBondContact CE-O 3.46Å; M201-T203 HydrophobicContact CB-CG2 4.44Å; M201-T203 HydrophobicContact CG-CG2 3.66Å; T203-V213 HydrophobicContact CG2-CG1 4.23Å
204	P	96.6	Very high	96.9	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.019	5%	0.046	C	C	.	.			trans	-63.3	141.3	178.5	27.7	-36.9	0	0	0	111.4	G178 F209 E212	G178-P204 WeakPolarHBondContact O-CB 3.25Å; P204-F209 HydrophobicContact CB-CB 3.78Å; P204-F209 HydrophobicContact CB-CD2 4.45Å; P204-F209 HydrophobicContact CB-CG 4.44Å; P204-F209 HydrophobicContact CG-CB 3.52Å; P204-F209 WeakPolarHBondContact CG-O 3.2Å; P204-E212 HydrophobicContact CG-CB 3.56Å; P204-E212 HydrophobicContact CG-CG 4.16Å
205	G	93.6	Very high	96.8	Very high	6 Å²	6	3.9 Å²	3.9	6%	0.062	3%	0.025	C	C	.	.			trans	-89.2	-18.1	-179.6	0	0	0	0	0	115.1	G134 H135 L136 N236	G134-G205 VanDerWaalsContact O-CA 3.29Å; G134-G205 WeakPolarHBondContact O-CA 3.38Å; H135-G205 CarbonylContact C-O 3.55Å; L136-G205 PolarHBondContact N-O 3.27Å; L136-G205 VanDerWaalsContact N-O 3.09Å; G205-N236 PolarHBondContact O-ND2 3.08Å
206	H	96.6	Very high	96.7	Very high	6 Å²	6	2 Å²	2	3%	0.028	1%	0.012	C	C	.	.	S	Bend	trans	-71.7	136	-179.1	-167.1	-78.2	0	0	0	110	L136 V177 N208 F209 L896	L136-H206 HydrophobicContact CD1-CB 4.09Å; V177-H206 HydrophobicContact CG1-CB 4.05Å; H206-N208 VanDerWaalsContact C-N 3.28Å; H206-N208 VanDerWaalsContact CE1-CG 3.47Å; H206-N208 PolarHBondContact CE1-ND2 3Å; H206-N208 WeakPolarHBondContact ND1-CB 3.47Å; H206-N208 PolarHBondContact ND1-N 2.99Å; H206-N208 VanDerWaalsContact ND1-N 3.2Å; H206-N208 PolarHBondContact O-N 3.47Å; H206-F209 HydrophobicContact CB-CD2 3.88Å; H206-F209 HydrophobicContact CB-CE2 4.41Å; H206-F209 PolarHBondContact O-N 2.97Å; H206-F209 VanDerWaalsContact O-N 3.07Å; H206-L896 WeakPolarHBondContact NE2-CD2 3.31Å
207	V	95.4	Very high	96.6	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-65.4	-30.5	-170.7	71.6	0	0	0	0	113.6	F209 S210 L896 S897 V898	V207-F209 PolarHBondContact O-N 3.46Å; V207-S210 VanDerWaalsContact O-CB 3.22Å; V207-S210 WeakPolarHBondContact O-CB 3.35Å; V207-S210 PolarHBondContact O-N 3.34Å; V207-S210 VanDerWaalsContact O-N 3.12Å; V207-S210 PolarHBondContact O-OG 2.84Å; V207-L896 HydrophobicContact CG1-CB 4.06Å; V207-S897 VanDerWaalsContact CG1-O 3.25Å; V207-S897 WeakPolarHBondContact CG1-O 3.36Å; V207-V898 HydrophobicContact CG1-CB 4.18Å; V207-V898 HydrophobicContact CG2-CB 3.59Å; V207-V898 HydrophobicContact CG2-CG1 4.26Å; V207-V898 HydrophobicContact CG2-CG2 3.56Å
208	N	95.6	Very high	96.5	Very high	7 Å²	7	2 Å²	2	4%	0.037	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-63.9	-26.4	175.7	-62.9	-4.2	0	0	0	113.1	H206 S210 T630 Y634 S897	H206-N208 VanDerWaalsContact C-N 3.28Å; H206-N208 VanDerWaalsContact CE1-CG 3.47Å; H206-N208 PolarHBondContact CE1-ND2 3Å; H206-N208 WeakPolarHBondContact ND1-CB 3.47Å; H206-N208 PolarHBondContact ND1-N 2.99Å; H206-N208 VanDerWaalsContact ND1-N 3.2Å; H206-N208 PolarHBondContact O-N 3.47Å; N208-S210 VanDerWaalsContact C-N 3.32Å; N208-T630 WeakPolarHBondContact CA-OG1 3.12Å; N208-T630 WeakPolarHBondContact CB-OG1 3.43Å; N208-T630 WeakPolarHBondContact O-CB 3.26Å; N208-T630 PolarHBondContact O-OG1 3.49Å; N208-Y634 VanDerWaalsContact O-CD2 3.29Å; N208-Y634 WeakPolarHBondContact O-CD2 3.44Å; N208-S897 PolarHBondContact OD1-O 2.95Å
209	F	96.9	Very high	96.4	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	G	3₁₀ helix	trans	-97.3	26.2	175.9	-55.4	-66.4	0	0	0	111.8	I179 P204 H206 V207 D211 E212 Y612 L633 Y634 C637	I179-F209 HydrophobicContact CB-CZ 4.45Å; I179-F209 HydrophobicContact CG1-CE2 4.21Å; I179-F209 HydrophobicContact CG1-CZ 4.18Å; I179-F209 HydrophobicContact CG2-CD1 4.28Å; I179-F209 HydrophobicContact CG2-CE1 3.81Å; I179-F209 HydrophobicContact CG2-CZ 3.99Å; P204-F209 HydrophobicContact CB-CB 3.78Å; P204-F209 HydrophobicContact CB-CD2 4.45Å; P204-F209 HydrophobicContact CB-CG 4.44Å; P204-F209 HydrophobicContact CG-CB 3.52Å; P204-F209 WeakPolarHBondContact CG-O 3.2Å; H206-F209 HydrophobicContact CB-CD2 3.88Å; H206-F209 HydrophobicContact CB-CE2 4.41Å; H206-F209 PolarHBondContact O-N 2.97Å; H206-F209 VanDerWaalsContact O-N 3.07Å; V207-F209 PolarHBondContact O-N 3.46Å; F209-D211 VanDerWaalsContact CA-OD1 3.3Å; F209-D211 WeakPolarHBondContact CA-OD1 3.37Å; F209-D211 PolarHBondContact O-N 2.91Å; F209-E212 HydrophobicContact CB-CG 4.34Å; F209-E212 WeakPolarHBondContact O-CB 3.3Å; F209-E212 PolarHBondContact O-N 3.35Å; F209-Y612 HydrophobicContact CE1-CE1 4.27Å; F209-L633 HydrophobicContact CE2-CD2 3.95Å; F209-L633 HydrophobicContact CE2-CG 4.02Å; F209-L633 HydrophobicContact CZ-CG 4.15Å; F209-Y634 AromaticContact CD1-CD2 3.38Å; F209-Y634 HydrophobicContact CD1-CD2 3.38Å; F209-Y634 AromaticContact CD1-CE2 3.92Å; F209-Y634 HydrophobicContact CD1-CE2 3.92Å; F209-Y634 HydrophobicContact CD1-CG 4.4Å; F209-Y634 AromaticContact CE1-CD2 3.49Å; F209-Y634 HydrophobicContact CE1-CD2 3.49Å; F209-Y634 VanDerWaalsContact CE1-CD2 3.49Å; F209-Y634 HydrophobicContact CE1-CE2 4.28Å; F209-Y634 HydrophobicContact CE1-CG 4.11Å; F209-Y634 HydrophobicContact CG-CD2 4.4Å; F209-C637 HydrophobicContact CE1-CB 4.4Å; F209-C637 HydrophobicContact CZ-CB 4.2Å
210	S	95.1	Very high	96.4	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.007	1%	0.012	C	C	.	.	H	α-helix	trans	-64.7	-19.1	177.6	54.2	0	0	0	0	113.3	V207 N208 V213 T214 T582	V207-S210 VanDerWaalsContact O-CB 3.22Å; V207-S210 WeakPolarHBondContact O-CB 3.35Å; V207-S210 PolarHBondContact O-N 3.34Å; V207-S210 VanDerWaalsContact O-N 3.12Å; V207-S210 PolarHBondContact O-OG 2.84Å; N208-S210 VanDerWaalsContact C-N 3.32Å; S210-V213 WeakPolarHBondContact O-CB 3.22Å; S210-V213 PolarHBondContact O-N 3.29Å; S210-T214 PolarHBondContact O-N 3.39Å; S210-T214 VanDerWaalsContact O-N 3.11Å; S210-T214 PolarHBondContact O-OG1 2.94Å; S210-T582 WeakPolarHBondContact OG-CG2 3.44Å
211	D	95.6	Very high	96.3	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-65.6	-40.4	173.5	61.9	-31.7	0	0	0	112.8	F209 V213 T214 S215 F580 P613 S614 Y634	F209-D211 VanDerWaalsContact CA-OD1 3.3Å; F209-D211 WeakPolarHBondContact CA-OD1 3.37Å; F209-D211 PolarHBondContact O-N 2.91Å; D211-V213 PolarHBondContact O-N 3.33Å; D211-T214 WeakPolarHBondContact O-CB 3.32Å; D211-T214 PolarHBondContact O-N 3.48Å; D211-T214 VanDerWaalsContact O-N 3.15Å; D211-S215 PolarHBondContact O-N 3.08Å; D211-S215 VanDerWaalsContact O-N 3.1Å; D211-F580 HydrophobicContact CB-CD1 3.69Å; D211-F580 HydrophobicContact CB-CE1 3.77Å; D211-F580 HydrophobicContact CB-CG 4.49Å; D211-P613 HydrophobicContact CB-CB 4.33Å; D211-S614 VanDerWaalsContact CB-CB 3.44Å; D211-S614 VanDerWaalsContact OD2-CB 3.25Å; D211-S614 WeakPolarHBondContact OD2-CB 3.47Å; D211-S614 PolarHBondContact OD2-N 2.75Å; D211-Y634 VanDerWaalsContact OD2-CE2 3.28Å; D211-Y634 WeakPolarHBondContact OD2-CE2 3.45Å; D211-Y634 PolarHBondContact OD2-OH 2.97Å
212	E	96.7	Very high	96.2	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-61	-34.9	172.5	-64.4	-79.1	173.4	0	0	111.5	K180 S181 P204 F209 G216 K478	K180-E212 WeakPolarHBondContact CD-OE1 3.15Å; K180-E212 IonicContact NZ-OE1 3.37Å; K180-E212 PolarHBondContact NZ-OE1 3.43Å; K180-E212 VanDerWaalsContact NZ-OE1 3.08Å; S181-E212 PolarHBondContact N-OE2 3.09Å; P204-E212 HydrophobicContact CG-CB 3.56Å; P204-E212 HydrophobicContact CG-CG 4.16Å; F209-E212 HydrophobicContact CB-CG 4.34Å; F209-E212 WeakPolarHBondContact O-CB 3.3Å; F209-E212 PolarHBondContact O-N 3.35Å; E212-G216 PolarHBondContact O-N 3.45Å; E212-K478 IonicContact OE1-NZ 3.08Å; E212-K478 PolarHBondContact OE1-NZ 2.74Å; E212-K478 WeakPolarHBondContact OE2-CD 3.43Å; E212-K478 WeakPolarHBondContact OE2-CE 3.21Å; E212-K478 IonicContact OE2-NZ 2.73Å; E212-K478 PolarHBondContact OE2-NZ 3.1Å
213	V	96.9	Very high	96.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-69	-40.9	175.2	-165.8	0	0	0	0	111.1	C133 T203 S210 D211 S215 G216 I217 L240	C133-V213 HydrophobicContact CB-CG1 3.75Å; T203-V213 HydrophobicContact CG2-CG1 4.23Å; S210-V213 WeakPolarHBondContact O-CB 3.22Å; S210-V213 PolarHBondContact O-N 3.29Å; D211-V213 PolarHBondContact O-N 3.33Å; V213-S215 VanDerWaalsContact C-N 3.33Å; V213-S215 PolarHBondContact O-N 2.74Å; V213-G216 PolarHBondContact O-N 3.45Å; V213-I217 HydrophobicContact CG1-CD1 3.89Å; V213-I217 HydrophobicContact CG1-CG1 4.31Å; V213-I217 WeakPolarHBondContact O-CB 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.42Å; V213-I217 PolarHBondContact O-N 2.99Å; V213-L240 HydrophobicContact CB-CD2 4.03Å; V213-L240 HydrophobicContact CG1-CD2 3.5Å; V213-L240 VanDerWaalsContact CG1-CD2 3.5Å; V213-L240 HydrophobicContact CG2-CD2 4.31Å
214	T	96.8	Very high	96.3	Very high	1 Å²	1	2 Å²	2	1%	0.006	1%	0.011	C	C	.	.	H	α-helix	trans	-59	-43	175.7	-64.2	0	0	0	0	111.5	S210 D211 G216 I217 R218 H243 L578 F580	S210-T214 PolarHBondContact O-N 3.39Å; S210-T214 VanDerWaalsContact O-N 3.11Å; S210-T214 PolarHBondContact O-OG1 2.94Å; D211-T214 WeakPolarHBondContact O-CB 3.32Å; D211-T214 PolarHBondContact O-N 3.48Å; D211-T214 VanDerWaalsContact O-N 3.15Å; T214-G216 VanDerWaalsContact C-N 3.35Å; T214-G216 PolarHBondContact O-N 2.89Å; T214-I217 PolarHBondContact O-N 3.5Å; T214-R218 PolarHBondContact O-N 2.9Å; T214-H243 WeakPolarHBondContact CB-NE2 3.43Å; T214-H243 WeakPolarHBondContact CG2-NE2 3.5Å; T214-H243 PolarHBondContact OG1-NE2 3.14Å; T214-L578 HydrophobicContact CG2-CB 4.07Å; T214-L578 HydrophobicContact CG2-CD2 4.29Å; T214-F580 HydrophobicContact CG2-CD1 3.95Å; T214-F580 HydrophobicContact CG2-CE1 4.3Å
215	S	95.6	Very high	96.4	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-60.4	-42	175.9	-61.5	0	0	0	0	112.7	D211 V213 T477 L578 P613	D211-S215 PolarHBondContact O-N 3.08Å; D211-S215 VanDerWaalsContact O-N 3.1Å; V213-S215 VanDerWaalsContact C-N 3.33Å; V213-S215 PolarHBondContact O-N 2.74Å; S215-T477 PolarHBondContact O-OG1 3.33Å; S215-T477 PolarHBondContact OG-O 3.32Å; S215-L578 WeakPolarHBondContact OG-CD1 3.28Å; S215-P613 WeakPolarHBondContact OG-CG 3.38Å
216	G	95.4	Very high	96.6	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-67.1	-43.2	176.5	0	0	0	0	0	113.7	T131 E212 V213 T214 R218 L219 S220	T131-G216 VanDerWaalsContact OG1-C 3.24Å; T131-G216 PolarHBondContact OG1-O 2.98Å; E212-G216 PolarHBondContact O-N 3.45Å; V213-G216 PolarHBondContact O-N 3.45Å; T214-G216 VanDerWaalsContact C-N 3.35Å; T214-G216 PolarHBondContact O-N 2.89Å; G216-R218 VanDerWaalsContact C-N 3.29Å; G216-R218 PolarHBondContact O-N 3.43Å; G216-L219 PolarHBondContact O-N 2.72Å; G216-S220 WeakPolarHBondContact O-CB 3.43Å; G216-S220 PolarHBondContact O-N 3.31Å; G216-S220 VanDerWaalsContact O-N 3.14Å; G216-S220 PolarHBondContact O-OG 2.88Å
217	I	95.6	Very high	96.7	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-58	-41.8	176.4	-81.1	174.5	0	0	0	110.8	T131 V213 T214 L219 S220 I223 E247 L249 K446	T131-I217 HydrophobicContact CG2-CG1 4.28Å; V213-I217 HydrophobicContact CG1-CD1 3.89Å; V213-I217 HydrophobicContact CG1-CG1 4.31Å; V213-I217 WeakPolarHBondContact O-CB 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.42Å; V213-I217 PolarHBondContact O-N 2.99Å; T214-I217 PolarHBondContact O-N 3.5Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.49Å; I217-S220 PolarHBondContact O-N 2.91Å; I217-I223 HydrophobicContact CD1-CG2 4.43Å; I217-I223 HydrophobicContact CG1-CG2 3.96Å; I217-E247 HydrophobicContact CG2-CB 3.89Å; I217-E247 HydrophobicContact CG2-CG 3.89Å; I217-L249 HydrophobicContact CB-CD1 4.15Å; I217-L249 HydrophobicContact CG1-CD1 4.25Å; I217-L249 HydrophobicContact CG2-CD1 3.56Å; I217-L249 HydrophobicContact CG2-CG 4.45Å; I217-K446 PolarHBondContact O-NZ 2.69Å; I217-K446 VanDerWaalsContact O-NZ 3.16Å
218	R	96.3	Very high	96.8	Very high	8 Å²	8	1.2 Å²	1.2	3%	0.03	1%	0.006	C	C	.	.	H	α-helix	trans	-61	-38.1	180	-175.7	56.9	62.4	78.2	-1.8	112.5	T214 G216 E247 K446 H475 T477 R576 P577 L578	T214-R218 PolarHBondContact O-N 2.9Å; G216-R218 VanDerWaalsContact C-N 3.29Å; G216-R218 PolarHBondContact O-N 3.43Å; R218-E247 IonicContact CZ-OE1 2.81Å; R218-E247 IonicContact CZ-OE2 3.7Å; R218-E247 IonicContact NE-OE1 2.77Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 PolarHBondContact NE-OE2 3.38Å; R218-E247 IonicContact NH2-OE1 3.46Å; R218-E247 PolarHBondContact NH2-OE1 3.27Å; R218-E247 IonicContact NH2-OE2 3.8Å; R218-E247 PolarHBondContact NH2-OE2 3.02Å; R218-K446 WeakPolarHBondContact O-CE 3.39Å; R218-K446 PolarHBondContact O-NZ 2.83Å; R218-H475 WeakPolarHBondContact CG-NE2 3.27Å; R218-T477 HydrophobicContact CB-CG2 4.22Å; R218-T477 HydrophobicContact CG-CG2 3.99Å; R218-R576 PolarHBondContact NH1-O 3.18Å; R218-P577 PolarHBondContact NH1-O 3.28Å; R218-L578 HydrophobicContact CB-CD2 3.64Å; R218-L578 HydrophobicContact CG-CD2 3.82Å
219	L	96.5	Very high	96.9	Very high	3 Å²	3	0.9 Å²	0.9	2%	0.016	0%	0.004	C	C	.	.	H	α-helix	trans	-81.7	-18.5	179.1	-60.4	-178.6	0	0	0	114.3	G216 I217 H475 T477 F491 R493 W547	G216-L219 PolarHBondContact O-N 2.72Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.49Å; L219-H475 WeakPolarHBondContact CD2-O 3.33Å; L219-T477 WeakPolarHBondContact CD1-OG1 3.21Å; L219-T477 HydrophobicContact CD2-CG2 3.75Å; L219-T477 HydrophobicContact CG-CG2 4.08Å; L219-T477 VanDerWaalsContact CG-OG1 3.27Å; L219-T477 WeakPolarHBondContact CG-OG1 3.35Å; L219-F491 HydrophobicContact CD1-CD1 3.62Å; L219-F491 HydrophobicContact CD1-CE1 3.51Å; L219-R493 HydrophobicContact CD2-CB 3.94Å; L219-R493 VanDerWaalsContact O-CD 3.32Å; L219-R493 WeakPolarHBondContact O-CD 3.31Å; L219-R493 PolarHBondContact O-NH1 2.65Å; L219-W547 HydrophobicContact CB-CZ2 4.39Å; L219-W547 PolarHBondContact O-NE1 2.54Å
220	S	97.1	Very high	96.8	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.			trans	-92.8	154.1	-172.5	-58.5	0	0	0	0	113.5	T131 G216 I217 L249 K446 W547	T131-S220 PolarHBondContact OG1-OG 2.91Å; G216-S220 WeakPolarHBondContact O-CB 3.43Å; G216-S220 PolarHBondContact O-N 3.31Å; G216-S220 VanDerWaalsContact O-N 3.14Å; G216-S220 PolarHBondContact O-OG 2.88Å; I217-S220 PolarHBondContact O-N 2.91Å; S220-L249 WeakPolarHBondContact O-CD2 3.3Å; S220-K446 WeakPolarHBondContact O-CE 3.4Å; S220-K446 PolarHBondContact O-NZ 2.95Å; S220-W547 WeakPolarHBondContact OG-CZ2 3.17Å
221	D	96.9	Very high	96.9	Very high	6 Å²	6	2.3 Å²	2.3	3%	0.032	1%	0.011	C	C	.	.	S	Bend	trans	-94.6	-15.5	175.9	-61.4	-60.5	0	0	0	112.4	N129 I436 P437 R493	N129-D221 WeakPolarHBondContact CB-OD2 3.38Å; N129-D221 PolarHBondContact ND2-OD2 3.18Å; N129-D221 PolarHBondContact O-N 3.05Å; D221-I436 HydrophobicContact CB-CG2 4.32Å; D221-P437 HydrophobicContact CB-CG 4.3Å; D221-R493 IonicContact OD1-CZ 3.63Å; D221-R493 IonicContact OD1-NH1 3.22Å; D221-R493 PolarHBondContact OD1-NH1 3.37Å; D221-R493 IonicContact OD1-NH2 3.69Å; D221-R493 PolarHBondContact OD1-NH2 2.84Å; D221-R493 VanDerWaalsContact OD1-NH2 3.08Å; D221-R493 IonicContact OD2-CZ 2.68Å; D221-R493 IonicContact OD2-NH1 2.85Å; D221-R493 PolarHBondContact OD2-NH1 3.2Å; D221-R493 IonicContact OD2-NH2 3.34Å; D221-R493 PolarHBondContact OD2-NH2 2.77Å
222	G	96.7	Very high	96.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	168.7	173.6	0	0	0	0	0	112.8	N129 T131 A250	N129-G222 PolarHBondContact O-N 2.85Å; T131-G222 PolarHBondContact N-O 3.3Å; T131-G222 VanDerWaalsContact N-O 3.11Å; G222-A250 CarbonylContact C-O 3.21Å; G222-A250 VanDerWaalsContact CA-O 3.27Å; G222-A250 WeakPolarHBondContact CA-O 3.4Å
223	I	97.6	Very high	96.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.1	176.8	64.2	153.9	0	0	0	111.6	T131 I217 A244 L249 A250 I251 T252	T131-I223 CarbonylContact O-C 3.15Å; T131-I223 WeakPolarHBondContact O-CA 3.45Å; I217-I223 HydrophobicContact CD1-CG2 4.43Å; I217-I223 HydrophobicContact CG1-CG2 3.96Å; I223-A244 HydrophobicContact CD1-CB 3.35Å; I223-A244 HydrophobicContact CG1-CB 3.97Å; I223-A244 HydrophobicContact CG2-CB 4.46Å; I223-L249 HydrophobicContact CG2-CD1 3.68Å; I223-A250 PolarHBondContact N-O 3.2Å; I223-I251 HydrophobicContact CD1-CG1 4.09Å; I223-I251 HydrophobicContact CD1-CG2 4.14Å; I223-I251 HydrophobicContact CG1-CB 4.3Å; I223-I251 HydrophobicContact CG1-CG1 3.95Å; I223-I251 HydrophobicContact CG1-CG2 4.26Å; I223-T252 PolarHBondContact O-N 2.99Å; I223-T252 PolarHBondContact O-OG1 3.29Å
224	V	98.4	Very high	96.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.4	165.4	-178.8	0	0	0	0	107.4	V130 T131 L132 C133 F226 T252 C254 F428 M431 I436	V130-V224 HydrophobicContact CG1-CB 4.33Å; V130-V224 HydrophobicContact CG1-CG2 3.41Å; V130-V224 VanDerWaalsContact CG1-CG2 3.41Å; T131-V224 PolarHBondContact O-N 2.94Å; L132-V224 HydrophobicContact CD2-CB 3.83Å; L132-V224 HydrophobicContact CD2-CG1 4.46Å; L132-V224 HydrophobicContact CD2-CG2 4.11Å; C133-V224 PolarHBondContact N-O 2.87Å; V224-F226 HydrophobicContact CB-CE2 4.26Å; V224-F226 HydrophobicContact CG1-CD2 4.18Å; V224-F226 HydrophobicContact CG1-CE2 3.66Å; V224-F226 HydrophobicContact CG1-CZ 4.35Å; V224-T252 WeakPolarHBondContact CA-O 3.26Å; V224-T252 VanDerWaalsContact CG2-OG1 3.29Å; V224-T252 WeakPolarHBondContact CG2-OG1 3.43Å; V224-C254 HydrophobicContact CG1-CB 4.03Å; V224-F428 HydrophobicContact CB-CE2 4.39Å; V224-F428 HydrophobicContact CG1-CE2 4.15Å; V224-F428 HydrophobicContact CG2-CE2 3.79Å; V224-F428 HydrophobicContact CG2-CZ 4.39Å; V224-M431 HydrophobicContact CG1-CE 3.87Å; V224-M431 HydrophobicContact CG2-CE 3.99Å; V224-I436 HydrophobicContact CG2-CD1 4.23Å
225	L	98.3	Very high	96.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.6	-178.2	-174.5	68.1	0	0	0	110.7	C133 I227 T237 L240 I241 T252 I253 C254	C133-L225 CarbonylContact O-C 3.58Å; C133-L225 WeakPolarHBondContact O-CA 3.01Å; L225-I227 HydrophobicContact CD2-CD1 4.11Å; L225-I227 HydrophobicContact CD2-CG1 4.39Å; L225-I227 HydrophobicContact CG-CD1 4.45Å; L225-I227 HydrophobicContact CG-CG1 4.22Å; L225-T237 HydrophobicContact CD1-CG2 4.08Å; L225-T237 HydrophobicContact CD2-CG2 3.74Å; L225-T237 HydrophobicContact CG-CG2 4.07Å; L225-L240 HydrophobicContact CD1-CB 4.27Å; L225-I241 HydrophobicContact CD2-CD1 3.69Å; L225-I241 HydrophobicContact CD2-CG1 3.46Å; L225-I241 VanDerWaalsContact CD2-CG1 3.46Å; L225-T252 PolarHBondContact N-O 3.09Å; L225-I253 WeakPolarHBondContact O-CA 3.35Å; L225-C254 PolarHBondContact O-N 2.6Å
226	F	98.4	Very high	96.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.1	178	-80.6	-103	0	0	0	111.8	L132 C133 H138 K140 F143 V224 C254 N256	L132-F226 HydrophobicContact CB-CD2 4.25Å; L132-F226 HydrophobicContact CB-CE2 3.85Å; L132-F226 HydrophobicContact CD1-CE2 4.11Å; L132-F226 HydrophobicContact CD1-CZ 4.34Å; L132-F226 HydrophobicContact CD2-CE2 3.96Å; L132-F226 HydrophobicContact CG-CE2 4.16Å; C133-F226 PolarHBondContact O-N 3.37Å; H138-F226 HydrophobicContact CB-CB 4.21Å; H138-F226 PolarHBondContact ND1-O 3.45Å; K140-F226 HydrophobicContact CG-CB 3.82Å; K140-F226 HydrophobicContact CG-CD1 4.41Å; K140-F226 HydrophobicContact CG-CD2 3.96Å; K140-F226 HydrophobicContact CG-CG 3.8Å; F143-F226 HydrophobicContact CB-CE1 3.65Å; F143-F226 HydrophobicContact CB-CZ 3.89Å; F143-F226 HydrophobicContact CD1-CE1 4.14Å; F143-F226 AromaticContact CD1-CZ 3.63Å; F143-F226 HydrophobicContact CD1-CZ 3.63Å; F143-F226 AromaticContact CD2-CE1 3.74Å; F143-F226 HydrophobicContact CD2-CE1 3.74Å; F143-F226 HydrophobicContact CD2-CZ 4.01Å; F143-F226 HydrophobicContact CE1-CZ 4.1Å; F143-F226 HydrophobicContact CE2-CE1 4.41Å; F143-F226 HydrophobicContact CE2-CZ 4.45Å; F143-F226 AromaticContact CG-CE1 3.58Å; F143-F226 HydrophobicContact CG-CE1 3.58Å; F143-F226 AromaticContact CG-CZ 3.57Å; F143-F226 HydrophobicContact CG-CZ 3.57Å; F143-F226 HydrophobicContact CZ-CZ 4.49Å; V224-F226 HydrophobicContact CB-CE2 4.26Å; V224-F226 HydrophobicContact CG1-CD2 4.18Å; V224-F226 HydrophobicContact CG1-CE2 3.66Å; V224-F226 HydrophobicContact CG1-CZ 4.35Å; F226-C254 WeakPolarHBondContact CA-O 3.36Å; F226-C254 HydrophobicContact CD1-CB 4.28Å; F226-C254 HydrophobicContact CE1-CB 4.08Å; F226-C254 HydrophobicContact CE2-CB 4.46Å; F226-C254 HydrophobicContact CZ-CB 4.17Å; F226-N256 HydrophobicContact CD1-CB 3.94Å; F226-N256 HydrophobicContact CE1-CB 4.47Å
227	I	98.4	Very high	96.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	179.4	-53.5	180	0	0	0	108.6	H138 L225 A229 G232 V233 T237 I253 C254 I255 N256 I279 V283	H138-I227 WeakPolarHBondContact ND1-CA 3.43Å; L225-I227 HydrophobicContact CD2-CD1 4.11Å; L225-I227 HydrophobicContact CD2-CG1 4.39Å; L225-I227 HydrophobicContact CG-CD1 4.45Å; L225-I227 HydrophobicContact CG-CG1 4.22Å; I227-A229 PolarHBondContact O-N 3.26Å; I227-G232 VanDerWaalsContact CG2-C 3.48Å; I227-G232 VanDerWaalsContact CG2-O 3.26Å; I227-G232 WeakPolarHBondContact CG2-O 3.04Å; I227-V233 HydrophobicContact CD1-CG2 4.4Å; I227-T237 HydrophobicContact CD1-CG2 3.98Å; I227-T237 HydrophobicContact CG1-CG2 3.89Å; I227-I253 HydrophobicContact CD1-CG2 3.87Å; I227-I253 HydrophobicContact CG1-CG2 4.33Å; I227-C254 PolarHBondContact N-O 3.2Å; I227-I255 CarbonylContact O-C 3.55Å; I227-I255 WeakPolarHBondContact O-CA 3.49Å; I227-N256 PolarHBondContact O-N 2.87Å; I227-I279 HydrophobicContact CB-CG2 4.33Å; I227-I279 HydrophobicContact CD1-CG2 3.93Å; I227-I279 HydrophobicContact CG2-CG2 3.76Å; I227-V283 HydrophobicContact CD1-CG2 3.53Å
228	D	98.1	Very high	96.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.4	173	-177.5	-39	0	0	0	109.7	H138 A230 E231 G232 K257 R260	H138-D228 PolarHBondContact CE1-N 2.92Å; H138-D228 PolarHBondContact ND1-N 3.27Å; D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.14Å; D228-A230 WeakPolarHBondContact OD1-CB 3.05Å; D228-A230 PolarHBondContact OD1-N 3.4Å; D228-E231 HydrophobicContact CB-CB 4.06Å; D228-E231 PolarHBondContact OD1-N 3.43Å; D228-G232 WeakPolarHBondContact O-CA 3.4Å; D228-G232 PolarHBondContact O-N 3.12Å; D228-K257 WeakPolarHBondContact OD2-CD 3.47Å; D228-K257 WeakPolarHBondContact OD2-CE 3.29Å; D228-K257 IonicContact OD2-NZ 3.58Å; D228-K257 PolarHBondContact OD2-NZ 3.46Å; D228-R260 IonicContact OD1-NH1 3.63Å; D228-R260 PolarHBondContact OD1-NH1 2.71Å; D228-R260 IonicContact OD2-CZ 2.77Å; D228-R260 IonicContact OD2-NH1 3.37Å; D228-R260 PolarHBondContact OD2-NH1 3.48Å
229	A	97.5	Very high	96.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.5	-176.2	0	0	0	0	0	113.6	I227 I255 N256 V258 L261 K275 L276	I227-A229 PolarHBondContact O-N 3.26Å; A229-I255 HydrophobicContact CB-CG2 3.79Å; A229-N256 WeakPolarHBondContact CB-O 3.19Å; A229-N256 PolarHBondContact N-O 2.9Å; A229-V258 HydrophobicContact CB-CG1 4.2Å; A229-L261 HydrophobicContact CB-CD1 3.9Å; A229-L261 HydrophobicContact CB-CD2 4.3Å; A229-L261 HydrophobicContact CB-CG 3.93Å; A229-L261 WeakPolarHBondContact O-CD2 3.5Å; A229-K275 WeakPolarHBondContact O-CE 3.2Å; A229-K275 WeakPolarHBondContact O-CG 3.35Å; A229-L276 HydrophobicContact CB-CD2 4.19Å
230	A	95.8	Very high	96.7	Very high	2 Å²	2	7.1 Å²	7.1	2%	0.017	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-46.9	179.3	0	0	0	0	0	111.3	D228 R260 L265 K275	D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.14Å; D228-A230 WeakPolarHBondContact OD1-CB 3.05Å; D228-A230 PolarHBondContact OD1-N 3.4Å; A230-R260 HydrophobicContact CB-CB 3.91Å; A230-L265 HydrophobicContact CB-CD1 3.8Å; A230-K275 WeakPolarHBondContact O-CE 3.25Å; A230-K275 PolarHBondContact O-NZ 2.69Å
231	E	95.3	Very high	96.6	Very high	28 Å²	28	7.1 Å²	7.1	13%	0.131	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-55	-179.7	-84.1	172	-127.3	0	0	111.1	H138 D228 M234 R260 K275 Q835 I861	H138-E231 IonicContact NE2-OE2 3.71Å; D228-E231 HydrophobicContact CB-CB 4.06Å; D228-E231 PolarHBondContact OD1-N 3.43Å; E231-M234 HydrophobicContact CB-CE 3.39Å; E231-M234 HydrophobicContact CB-CG 4.48Å; E231-M234 HydrophobicContact CG-CE 3.86Å; E231-M234 WeakPolarHBondContact O-CE 3.5Å; E231-R260 IonicContact OE1-NH1 3.53Å; E231-R260 PolarHBondContact OE1-NH1 3.13Å; E231-R260 VanDerWaalsContact OE1-NH1 3.08Å; E231-K275 PolarHBondContact O-NZ 2.93Å; E231-Q835 PolarHBondContact OE2-NE2 2.95Å; E231-Q835 VanDerWaalsContact OE2-NE2 3.09Å; E231-Q835 PolarHBondContact OE2-OE1 2.98Å; E231-I861 WeakPolarHBondContact O-CG2 3.4Å
232	G	96	Very high	96.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.045	C	C	.	.			trans	93.8	-153.7	-174.6	0	0	0	0	0	112.8	I227 D228	I227-G232 VanDerWaalsContact CG2-C 3.48Å; I227-G232 VanDerWaalsContact CG2-O 3.26Å; I227-G232 WeakPolarHBondContact CG2-O 3.04Å; D228-G232 WeakPolarHBondContact O-CA 3.4Å; D228-G232 PolarHBondContact O-N 3.12Å
233	V	96.4	Very high	96.3	Very high	19 Å²	19	9.9 Å²	9.9	12%	0.115	5%	0.046	C	C	.	.	S	Bend	trans	-73.1	128.5	178.9	-176.8	0	0	0	0	109.1	I227 T237 E282 V283	I227-V233 HydrophobicContact CD1-CG2 4.4Å; V233-T237 HydrophobicContact CG1-CG2 3.93Å; V233-E282 HydrophobicContact CB-CG 4.19Å; V233-E282 WeakPolarHBondContact CB-OE2 3.32Å; V233-E282 HydrophobicContact CG2-CB 4.15Å; V233-E282 HydrophobicContact CG2-CG 3.9Å; V233-E282 WeakPolarHBondContact CG2-OE2 3.41Å; V233-V283 HydrophobicContact CG2-CG2 3.77Å
234	M	96.1	Very high	96.2	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.015	5%	0.046	C	C	.	.			trans	-126.3	173.9	-177.1	-65.7	-60.5	172.8	0	0	110.5	H135 E231 N236 T237 E238 E833 Q835 I861	H135-M234 HydrophobicContact CB-CB 4.11Å; E231-M234 HydrophobicContact CB-CE 3.39Å; E231-M234 HydrophobicContact CB-CG 4.48Å; E231-M234 HydrophobicContact CG-CE 3.86Å; E231-M234 WeakPolarHBondContact O-CE 3.5Å; M234-N236 PolarHBondContact O-N 3.41Å; M234-T237 WeakPolarHBondContact O-CA 3.49Å; M234-T237 VanDerWaalsContact O-CB 3.22Å; M234-T237 WeakPolarHBondContact O-CB 3.36Å; M234-T237 PolarHBondContact O-N 2.99Å; M234-E238 PolarHBondContact O-N 2.92Å; M234-E238 VanDerWaalsContact O-N 3.1Å; M234-E833 WeakPolarHBondContact CA-OE1 3.26Å; M234-E833 VanDerWaalsContact SD-OE1 3.41Å; M234-Q835 HydrophobicContact CE-CG 4.38Å; M234-Q835 VanDerWaalsContact CE-NE2 3.27Å; M234-Q835 HydrophobicContact SD-CG 4.3Å; M234-Q835 PolarHBondContact SD-NE2 2.94Å; M234-I861 HydrophobicContact CE-CD1 3.81Å; M234-I861 HydrophobicContact CE-CG1 4.44Å
235	L	95.1	Very high	95.9	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.026	5%	0.052	C	C	.	.	H	α-helix	trans	-39.7	-61.6	-178.2	175.4	51.4	0	0	0	114.4	T237 E238 R239 F831 E833 L896 V898	L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 2.83Å; L235-E238 PolarHBondContact O-N 2.82Å; L235-R239 HydrophobicContact CD1-CG 4.19Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.23Å; L235-R239 VanDerWaalsContact O-N 3.14Å; L235-F831 HydrophobicContact CD1-CD1 3.52Å; L235-F831 HydrophobicContact CD1-CE1 3.59Å; L235-F831 HydrophobicContact CD2-CD1 4.23Å; L235-F831 HydrophobicContact CG-CD1 4.48Å; L235-E833 WeakPolarHBondContact CA-OE2 3.34Å; L235-E833 HydrophobicContact CB-CB 3.9Å; L235-E833 HydrophobicContact CB-CG 4.37Å; L235-E833 WeakPolarHBondContact CB-OE2 3.48Å; L235-E833 HydrophobicContact CD2-CB 4.04Å; L235-E833 HydrophobicContact CG-CB 4.49Å; L235-E833 VanDerWaalsContact N-CD 3.33Å; L235-E833 PolarHBondContact N-OE1 3.47Å; L235-E833 PolarHBondContact N-OE2 2.97Å; L235-L896 HydrophobicContact CD2-CB 4.01Å; L235-V898 HydrophobicContact CD1-CG1 3.96Å; L235-V898 HydrophobicContact CD2-CG1 3.91Å; L235-V898 HydrophobicContact CG-CG1 4.33Å
236	N	95.8	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.1	-25.7	-174.8	-156	23.9	0	0	0	111.7	H135 G205 M234 R239 L240	H135-N236 HydrophobicContact CB-CB 4.21Å; G205-N236 PolarHBondContact O-ND2 3.08Å; M234-N236 PolarHBondContact O-N 3.41Å; N236-R239 PolarHBondContact O-N 3.42Å; N236-L240 VanDerWaalsContact O-CB 3.27Å; N236-L240 WeakPolarHBondContact O-CB 3.05Å; N236-L240 WeakPolarHBondContact O-CD1 3.47Å; N236-L240 WeakPolarHBondContact O-CG 3.42Å; N236-L240 PolarHBondContact O-N 3.49Å
237	T	96.1	Very high	95.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-49.2	173.8	-52.6	0	0	0	0	110.6	L225 I227 V233 M234 L235 R239 L240 I241	L225-T237 HydrophobicContact CD1-CG2 4.08Å; L225-T237 HydrophobicContact CD2-CG2 3.74Å; L225-T237 HydrophobicContact CG-CG2 4.07Å; I227-T237 HydrophobicContact CD1-CG2 3.98Å; I227-T237 HydrophobicContact CG1-CG2 3.89Å; V233-T237 HydrophobicContact CG1-CG2 3.93Å; M234-T237 WeakPolarHBondContact O-CA 3.49Å; M234-T237 VanDerWaalsContact O-CB 3.22Å; M234-T237 WeakPolarHBondContact O-CB 3.36Å; M234-T237 PolarHBondContact O-N 2.99Å; L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 2.83Å; T237-R239 VanDerWaalsContact C-N 3.34Å; T237-R239 PolarHBondContact O-N 3.24Å; T237-L240 PolarHBondContact O-N 2.97Å; T237-I241 HydrophobicContact CG2-CD1 4.24Å; T237-I241 WeakPolarHBondContact O-CD1 3.48Å; T237-I241 VanDerWaalsContact O-CG1 3.28Å; T237-I241 WeakPolarHBondContact O-CG1 3.39Å; T237-I241 PolarHBondContact O-N 3.43Å
238	E	94.9	Very high	94.9	Very high	53 Å²	53	20.5 Å²	20.5	25%	0.248	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-46.8	175.7	165.9	170.9	-175.8	0	0	111.5	M234 L235 L240 I241 K242 M286 Y290 K870	M234-E238 PolarHBondContact O-N 2.92Å; M234-E238 VanDerWaalsContact O-N 3.1Å; L235-E238 PolarHBondContact O-N 2.82Å; E238-L240 PolarHBondContact O-N 2.84Å; E238-I241 PolarHBondContact O-N 3.45Å; E238-K242 PolarHBondContact O-N 3.28Å; E238-M286 HydrophobicContact CB-CE 4.22Å; E238-M286 HydrophobicContact CG-CE 3.42Å; E238-M286 VanDerWaalsContact CG-CE 3.42Å; E238-M286 VanDerWaalsContact OE1-CE 3.27Å; E238-M286 WeakPolarHBondContact OE1-CE 3.3Å; E238-Y290 WeakPolarHBondContact CG-OH 3.33Å; E238-Y290 PolarHBondContact OE1-OH 2.81Å; E238-Y290 VanDerWaalsContact OE1-OH 3.08Å; E238-K870 IonicContact OE2-NZ 3.65Å
239	R	94.6	Very high	94.7	Very high	31 Å²	31	21 Å²	21	12%	0.117	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-179	-71.7	-178.7	62.5	78.4	3.1	113.2	L235 N236 T237 K242 H243 N581	L235-R239 HydrophobicContact CD1-CG 4.19Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.23Å; L235-R239 VanDerWaalsContact O-N 3.14Å; N236-R239 PolarHBondContact O-N 3.42Å; T237-R239 VanDerWaalsContact C-N 3.34Å; T237-R239 PolarHBondContact O-N 3.24Å; R239-K242 PolarHBondContact O-N 3.31Å; R239-H243 WeakPolarHBondContact O-CB 3.28Å; R239-H243 PolarHBondContact O-N 3.46Å; R239-N581 VanDerWaalsContact NH2-C 3.27Å; R239-N581 PolarHBondContact NH2-O 2.8Å; R239-N581 PolarHBondContact NH2-OD1 3.1Å; R239-N581 PolarHBondContact O-ND2 2.88Å
240	L	96.4	Very high	94.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-72.2	-34.4	178.1	-70.2	170.8	0	0	0	112	C133 G134 V213 L225 N236 T237 E238 H243 A244	C133-L240 HydrophobicContact CB-CD1 3.84Å; C133-L240 HydrophobicContact CB-CD2 4.49Å; G134-L240 VanDerWaalsContact N-CD1 3.27Å; V213-L240 HydrophobicContact CB-CD2 4.03Å; V213-L240 HydrophobicContact CG1-CD2 3.5Å; V213-L240 VanDerWaalsContact CG1-CD2 3.5Å; V213-L240 HydrophobicContact CG2-CD2 4.31Å; L225-L240 HydrophobicContact CD1-CB 4.27Å; N236-L240 VanDerWaalsContact O-CB 3.27Å; N236-L240 WeakPolarHBondContact O-CB 3.05Å; N236-L240 WeakPolarHBondContact O-CD1 3.47Å; N236-L240 WeakPolarHBondContact O-CG 3.42Å; N236-L240 PolarHBondContact O-N 3.49Å; T237-L240 PolarHBondContact O-N 2.97Å; E238-L240 PolarHBondContact O-N 2.84Å; L240-H243 PolarHBondContact O-N 2.86Å; L240-A244 VanDerWaalsContact O-CB 3.23Å; L240-A244 WeakPolarHBondContact O-CB 3.07Å; L240-A244 PolarHBondContact O-N 2.78Å
241	I	95.6	Very high	94.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-51.6	170.3	-68.8	162.2	0	0	0	109.7	L225 T237 E238 H243 A244 V245 V283 M286 L287 Y290	L225-I241 HydrophobicContact CD2-CD1 3.69Å; L225-I241 HydrophobicContact CD2-CG1 3.46Å; L225-I241 VanDerWaalsContact CD2-CG1 3.46Å; T237-I241 HydrophobicContact CG2-CD1 4.24Å; T237-I241 WeakPolarHBondContact O-CD1 3.48Å; T237-I241 VanDerWaalsContact O-CG1 3.28Å; T237-I241 WeakPolarHBondContact O-CG1 3.39Å; T237-I241 PolarHBondContact O-N 3.43Å; E238-I241 PolarHBondContact O-N 3.45Å; I241-H243 VanDerWaalsContact C-N 3.31Å; I241-H243 PolarHBondContact O-N 2.92Å; I241-A244 PolarHBondContact O-N 2.83Å; I241-V245 HydrophobicContact CG2-CG2 4.48Å; I241-V245 VanDerWaalsContact O-CG2 3.31Å; I241-V245 WeakPolarHBondContact O-CG2 3.49Å; I241-V245 PolarHBondContact O-N 2.84Å; I241-V283 HydrophobicContact CD1-CG1 3.85Å; I241-V283 HydrophobicContact CD1-CG2 4.31Å; I241-M286 HydrophobicContact CD1-CB 4.46Å; I241-M286 HydrophobicContact CG2-CB 4.45Å; I241-L287 HydrophobicContact CG2-CD2 3.67Å; I241-L287 HydrophobicContact CG2-CG 4.18Å; I241-Y290 HydrophobicContact CG2-CD2 4.17Å
242	K	93.5	Very high	94.7	Very high	61 Å²	61	21.2 Å²	21.2	27%	0.265	10%	0.099	S	C	.	.	H	α-helix	trans	-54.5	-48.7	177.7	-178.1	-177.4	174.6	-172.6	0	111.2	E238 R239 V245 Q246 Y290	E238-K242 PolarHBondContact O-N 3.28Å; R239-K242 PolarHBondContact O-N 3.31Å; K242-V245 PolarHBondContact O-N 2.88Å; K242-Q246 VanDerWaalsContact O-CG 3.28Å; K242-Q246 WeakPolarHBondContact O-CG 3.43Å; K242-Q246 PolarHBondContact O-N 3.04Å; K242-Y290 HydrophobicContact CB-CD1 4.35Å; K242-Y290 HydrophobicContact CB-CD2 3.99Å; K242-Y290 HydrophobicContact CB-CE1 4.27Å; K242-Y290 HydrophobicContact CB-CE2 3.86Å; K242-Y290 HydrophobicContact CB-CG 4.22Å; K242-Y290 HydrophobicContact CD-CD1 4.42Å; K242-Y290 HydrophobicContact CD-CE1 4.06Å; K242-Y290 HydrophobicContact CG-CD1 4.02Å; K242-Y290 HydrophobicContact CG-CE1 4.07Å; K242-Y290 HydrophobicContact CG-CG 4.26Å
243	H	94.4	Very high	94.8	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-40.9	-176.6	-170.4	49.9	0	0	0	112.9	T214 R239 L240 I241 V245 Q246 E247 K579	T214-H243 WeakPolarHBondContact CB-NE2 3.43Å; T214-H243 WeakPolarHBondContact CG2-NE2 3.5Å; T214-H243 PolarHBondContact OG1-NE2 3.14Å; R239-H243 WeakPolarHBondContact O-CB 3.28Å; R239-H243 PolarHBondContact O-N 3.46Å; L240-H243 PolarHBondContact O-N 2.86Å; I241-H243 VanDerWaalsContact C-N 3.31Å; I241-H243 PolarHBondContact O-N 2.92Å; H243-V245 PolarHBondContact O-N 3.4Å; H243-Q246 PolarHBondContact O-N 3.05Å; H243-E247 PolarHBondContact O-N 3.5Å; H243-K579 PolarHBondContact CE1-O 2.92Å
244	A	94.4	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.8	-36.2	177.9	0	0	0	0	0	113	I223 L240 I241 R248 L249 I251	I223-A244 HydrophobicContact CD1-CB 3.35Å; I223-A244 HydrophobicContact CG1-CB 3.97Å; I223-A244 HydrophobicContact CG2-CB 4.46Å; L240-A244 VanDerWaalsContact O-CB 3.23Å; L240-A244 WeakPolarHBondContact O-CB 3.07Å; L240-A244 PolarHBondContact O-N 2.78Å; I241-A244 PolarHBondContact O-N 2.83Å; A244-R248 PolarHBondContact O-N 3.46Å; A244-L249 PolarHBondContact O-N 2.94Å; A244-I251 HydrophobicContact CB-CD1 4.02Å; A244-I251 HydrophobicContact CB-CG1 4.2Å
245	V	92.9	Very high	95	Very high	21 Å²	21	20.1 Å²	20.1	13%	0.127	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-43.1	172.5	172.8	0	0	0	0	110.6	I241 K242 H243 E247 R248 I251 L287	I241-V245 HydrophobicContact CG2-CG2 4.48Å; I241-V245 VanDerWaalsContact O-CG2 3.31Å; I241-V245 WeakPolarHBondContact O-CG2 3.49Å; I241-V245 PolarHBondContact O-N 2.84Å; K242-V245 PolarHBondContact O-N 2.88Å; H243-V245 PolarHBondContact O-N 3.4Å; V245-E247 VanDerWaalsContact C-N 3.34Å; V245-E247 PolarHBondContact O-N 3.42Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.08Å; V245-I251 HydrophobicContact CG2-CD1 3.6Å; V245-L287 HydrophobicContact CG2-CD2 3.81Å
246	Q	90.4	Very high	95.1	Very high	65 Å²	65	19.9 Å²	19.9	30%	0.304	9%	0.091	S	C	.	.	H	α-helix	trans	-62.1	-38.7	178	-74.7	175.5	-24.2	0	0	112.8	K242 H243 R248 H449	K242-Q246 VanDerWaalsContact O-CG 3.28Å; K242-Q246 WeakPolarHBondContact O-CG 3.43Å; K242-Q246 PolarHBondContact O-N 3.04Å; H243-Q246 PolarHBondContact O-N 3.05Å; Q246-R248 PolarHBondContact O-N 3.31Å; Q246-H449 PolarHBondContact O-CE1 2.87Å
247	E	91.6	Very high	95.2	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.037	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	9.6	175.9	-69.6	-82.9	158.7	0	0	113.3	I217 R218 H243 V245 L249 H449	I217-E247 HydrophobicContact CG2-CB 3.89Å; I217-E247 HydrophobicContact CG2-CG 3.89Å; R218-E247 IonicContact CZ-OE1 2.81Å; R218-E247 IonicContact CZ-OE2 3.7Å; R218-E247 IonicContact NE-OE1 2.77Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 PolarHBondContact NE-OE2 3.38Å; R218-E247 IonicContact NH2-OE1 3.46Å; R218-E247 PolarHBondContact NH2-OE1 3.27Å; R218-E247 IonicContact NH2-OE2 3.8Å; R218-E247 PolarHBondContact NH2-OE2 3.02Å; H243-E247 PolarHBondContact O-N 3.5Å; V245-E247 VanDerWaalsContact C-N 3.34Å; V245-E247 PolarHBondContact O-N 3.42Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 HydrophobicContact CB-CG 4.38Å; E247-L249 PolarHBondContact O-N 3.17Å; E247-H449 IonicContact OE1-NE2 2.79Å; E247-H449 IonicContact OE2-CD2 2.87Å; E247-H449 PolarHBondContact OE2-CD2 3.36Å; E247-H449 IonicContact OE2-NE2 3.48Å; E247-H449 PolarHBondContact OE2-NE2 3.36Å
248	R	92.7	Very high	95.3	Very high	129 Å²	129	22.2 Å²	22.2	49%	0.487	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	38.6	175.5	-55.3	-176.7	179	-176	0.9	114.6	A244 V245 Q246 E448	A244-R248 PolarHBondContact O-N 3.46Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.08Å; Q246-R248 PolarHBondContact O-N 3.31Å; R248-E448 IonicContact CZ-OE1 2.92Å; R248-E448 IonicContact NH1-OE1 3.21Å; R248-E448 PolarHBondContact NH1-OE1 3.29Å; R248-E448 IonicContact NH1-OE2 2.93Å; R248-E448 PolarHBondContact NH1-OE2 3.02Å; R248-E448 IonicContact NH2-OE1 2.56Å
249	L	93.6	Very high	95.3	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.058	9%	0.093	C	C	.	.			trans	-89.5	153.4	179.8	-64.8	-169.8	0	0	0	113.4	I217 S220 I223 A244 E247	I217-L249 HydrophobicContact CB-CD1 4.15Å; I217-L249 HydrophobicContact CG1-CD1 4.25Å; I217-L249 HydrophobicContact CG2-CD1 3.56Å; I217-L249 HydrophobicContact CG2-CG 4.45Å; S220-L249 WeakPolarHBondContact O-CD2 3.3Å; I223-L249 HydrophobicContact CG2-CD1 3.68Å; A244-L249 PolarHBondContact O-N 2.94Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 HydrophobicContact CB-CG 4.38Å; E247-L249 PolarHBondContact O-N 3.17Å
250	A	95	Very high	95.4	Very high	22 Å²	22	20.9 Å²	20.9	18%	0.182	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.6	166	0	0	0	0	0	110.4	G222 I223 H435	G222-A250 CarbonylContact C-O 3.21Å; G222-A250 VanDerWaalsContact CA-O 3.27Å; G222-A250 WeakPolarHBondContact CA-O 3.4Å; I223-A250 PolarHBondContact N-O 3.2Å; A250-H435 WeakPolarHBondContact CB-O 3.38Å
251	I	95.8	Very high	95.4	Very high	12 Å²	12	21 Å²	21	6%	0.062	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.9	-176.7	-57.6	176	0	0	0	109.8	I223 A244 V245 L287	I223-I251 HydrophobicContact CD1-CG1 4.09Å; I223-I251 HydrophobicContact CD1-CG2 4.14Å; I223-I251 HydrophobicContact CG1-CB 4.3Å; I223-I251 HydrophobicContact CG1-CG1 3.95Å; I223-I251 HydrophobicContact CG1-CG2 4.26Å; A244-I251 HydrophobicContact CB-CD1 4.02Å; A244-I251 HydrophobicContact CB-CG1 4.2Å; V245-I251 HydrophobicContact CG2-CD1 3.6Å; I251-L287 HydrophobicContact CD1-CD2 3.63Å
252	T	97.3	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.2	170.1	62.6	0	0	0	0	109.6	I223 V224 L225 N304 M431 H435 I436	I223-T252 PolarHBondContact O-N 2.99Å; I223-T252 PolarHBondContact O-OG1 3.29Å; V224-T252 WeakPolarHBondContact CA-O 3.26Å; V224-T252 VanDerWaalsContact CG2-OG1 3.29Å; V224-T252 WeakPolarHBondContact CG2-OG1 3.43Å; L225-T252 PolarHBondContact N-O 3.09Å; T252-N304 WeakPolarHBondContact CA-O 3.36Å; T252-N304 HydrophobicContact CG2-CB 4.31Å; T252-M431 HydrophobicContact CG2-CG 4.03Å; T252-H435 HydrophobicContact CG2-CB 3.68Å; T252-I436 HydrophobicContact CG2-CG1 4.12Å
253	I	97.6	Very high	95.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.1	-173.2	-58	175	0	0	0	109.8	L225 I227 I255 V283 V298 N304 V305 C306	L225-I253 WeakPolarHBondContact O-CA 3.35Å; I227-I253 HydrophobicContact CD1-CG2 3.87Å; I227-I253 HydrophobicContact CG1-CG2 4.33Å; I253-I255 HydrophobicContact CG2-CG1 4.03Å; I253-V283 HydrophobicContact CD1-CB 3.93Å; I253-V283 HydrophobicContact CD1-CG1 3.47Å; I253-V283 VanDerWaalsContact CD1-CG1 3.47Å; I253-V283 HydrophobicContact CD1-CG2 4.16Å; I253-V298 HydrophobicContact CD1-CB 3.71Å; I253-V298 HydrophobicContact CD1-CG1 3.81Å; I253-V298 HydrophobicContact CD1-CG2 3.54Å; I253-V298 HydrophobicContact CG1-CG1 4.25Å; I253-N304 PolarHBondContact N-O 3.48Å; I253-V305 HydrophobicContact CB-CG1 4.37Å; I253-V305 HydrophobicContact CB-CG2 4.28Å; I253-V305 HydrophobicContact CG2-CG1 4.46Å; I253-V305 CarbonylContact O-C 3.51Å; I253-V305 VanDerWaalsContact O-CA 3.27Å; I253-V305 WeakPolarHBondContact O-CA 3.46Å; I253-C306 PolarHBondContact O-N 3.25Å
254	C	98.3	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.7	161.7	-137.2	0	0	0	0	111.1	V224 L225 F226 I227 N256 C306	V224-C254 HydrophobicContact CG1-CB 4.03Å; L225-C254 PolarHBondContact O-N 2.6Å; F226-C254 WeakPolarHBondContact CA-O 3.36Å; F226-C254 HydrophobicContact CD1-CB 4.28Å; F226-C254 HydrophobicContact CE1-CB 4.08Å; F226-C254 HydrophobicContact CE2-CB 4.46Å; F226-C254 HydrophobicContact CZ-CB 4.17Å; I227-C254 PolarHBondContact N-O 3.2Å; C254-N256 PolarHBondContact O-N 3.28Å; C254-C306 CarbonylContact C-O 3.53Å; C254-C306 WeakPolarHBondContact CA-O 3.38Å; C254-C306 WeakPolarHBondContact CA-SG 3.46Å; C254-C306 HydrophobicContact CB-CB 4.47Å; C254-C306 WeakPolarHBondContact CB-SG 3.1Å; C254-C306 WeakPolarHBondContact SG-CB 3.48Å; C254-C306 CovalentContact SG-SG 2.07Å; C254-C306 PolarHBondContact SG-SG 3.21Å
255	I	98.4	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	97.6	171.3	-56.5	174.6	0	0	0	107.1	I227 A229 I253 V258 L276 I279 V280 V305 C306 F307 A308	I227-I255 CarbonylContact O-C 3.55Å; I227-I255 WeakPolarHBondContact O-CA 3.49Å; A229-I255 HydrophobicContact CB-CG2 3.79Å; I253-I255 HydrophobicContact CG2-CG1 4.03Å; I255-V258 HydrophobicContact CG2-CG1 4.41Å; I255-V258 WeakPolarHBondContact O-CG1 3.29Å; I255-L276 HydrophobicContact CB-CD2 4.49Å; I255-L276 HydrophobicContact CD1-CD2 4.44Å; I255-L276 HydrophobicContact CG2-CD2 3.59Å; I255-I279 HydrophobicContact CD1-CB 4.36Å; I255-I279 HydrophobicContact CD1-CG2 4.01Å; I255-I279 HydrophobicContact CG1-CG2 4.19Å; I255-I279 HydrophobicContact CG2-CD1 4.28Å; I255-V280 HydrophobicContact CD1-CG2 3.82Å; I255-V305 HydrophobicContact CD1-CG1 4.06Å; I255-V305 HydrophobicContact CG1-CG1 4.27Å; I255-C306 PolarHBondContact N-O 2.77Å; I255-F307 HydrophobicContact CB-CD1 4.16Å; I255-F307 HydrophobicContact CD1-CD1 4.3Å; I255-F307 HydrophobicContact CD1-CE1 3.87Å; I255-F307 WeakPolarHBondContact O-CA 3.35Å; I255-A308 PolarHBondContact O-N 2.91Å
256	N	98.1	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	169.7	-177.4	-162.9	14.2	0	0	0	111.3	H138 G139 F226 I227 A229 C254 V258 A308 S309 S310	H138-N256 PolarHBondContact O-ND2 3.19Å; G139-N256 WeakPolarHBondContact CA-ND2 3.38Å; G139-N256 PolarHBondContact O-ND2 3.05Å; F226-N256 HydrophobicContact CD1-CB 3.94Å; F226-N256 HydrophobicContact CE1-CB 4.47Å; I227-N256 PolarHBondContact O-N 2.87Å; A229-N256 WeakPolarHBondContact CB-O 3.19Å; A229-N256 PolarHBondContact N-O 2.9Å; C254-N256 PolarHBondContact O-N 3.28Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.84Å; N256-A308 CarbonylContact C-O 3.57Å; N256-A308 WeakPolarHBondContact CA-O 3.39Å; N256-A308 PolarHBondContact OD1-O 2.78Å; N256-S309 WeakPolarHBondContact OD1-CA 3.28Å; N256-S310 PolarHBondContact ND2-OG 2.52Å; N256-S310 PolarHBondContact OD1-N 3.14Å; N256-S310 PolarHBondContact OD1-OG 2.67Å
257	K	97.6	Very high	95.7	Very high	42 Å²	42	33.9 Å²	33.9	18%	0.183	16%	0.159	C	C	.	.			trans	57	35.4	-179	-48.3	-155.2	-152.5	148.7	0	114.4	H137 D228 D259 R260 A308	H137-K257 WeakPolarHBondContact O-CE 3.2Å; H137-K257 PolarHBondContact O-NZ 3.18Å; D228-K257 WeakPolarHBondContact OD2-CD 3.47Å; D228-K257 WeakPolarHBondContact OD2-CE 3.29Å; D228-K257 IonicContact OD2-NZ 3.58Å; D228-K257 PolarHBondContact OD2-NZ 3.46Å; K257-D259 VanDerWaalsContact C-OD1 3.24Å; K257-D259 WeakPolarHBondContact CA-OD1 3.37Å; K257-D259 PolarHBondContact O-N 2.88Å; K257-D259 VanDerWaalsContact O-N 3.09Å; K257-R260 HydrophobicContact CB-CG 4.01Å; K257-R260 HydrophobicContact CD-CG 4.49Å; K257-R260 WeakPolarHBondContact O-CB 3.33Å; K257-R260 PolarHBondContact O-N 3.19Å; K257-A308 PolarHBondContact N-O 2.81Å
258	V	97.2	Very high	96	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-22	176	-60.7	0	0	0	0	112.8	A229 I255 N256 R260 L261 L276 F307 A308 L375	A229-V258 HydrophobicContact CB-CG1 4.2Å; I255-V258 HydrophobicContact CG2-CG1 4.41Å; I255-V258 WeakPolarHBondContact O-CG1 3.29Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.84Å; V258-R260 VanDerWaalsContact C-N 3.29Å; V258-R260 PolarHBondContact O-N 2.83Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 3.46Å; V258-L276 HydrophobicContact CG1-CD2 4.2Å; V258-F307 HydrophobicContact CG1-CB 4.27Å; V258-A308 WeakPolarHBondContact CG2-O 3.48Å; V258-A308 PolarHBondContact N-O 2.78Å; V258-A308 VanDerWaalsContact N-O 3.1Å; V258-L375 HydrophobicContact CG2-CD2 4.38Å
259	D	95.9	Very high	96.1	Very high	12 Å²	12	32 Å²	32	6%	0.064	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-30.9	173.1	59.6	-71.3	0	0	0	113.3	K257 L261 I262 V263 S309 Y312	K257-D259 VanDerWaalsContact C-OD1 3.24Å; K257-D259 WeakPolarHBondContact CA-OD1 3.37Å; K257-D259 PolarHBondContact O-N 2.88Å; K257-D259 VanDerWaalsContact O-N 3.09Å; D259-L261 VanDerWaalsContact C-N 3.25Å; D259-L261 PolarHBondContact O-N 3.34Å; D259-I262 CarbonylContact O-C 3.55Å; D259-I262 WeakPolarHBondContact O-CA 3.22Å; D259-I262 WeakPolarHBondContact O-CB 3.48Å; D259-I262 PolarHBondContact O-N 2.85Å; D259-V263 PolarHBondContact O-N 3.02Å; D259-S309 WeakPolarHBondContact OD1-CB 2.96Å; D259-S309 PolarHBondContact OD1-OG 3.11Å; D259-Y312 HydrophobicContact CB-CD2 3.68Å; D259-Y312 HydrophobicContact CB-CE2 3.72Å; D259-Y312 WeakPolarHBondContact OD2-CE2 3.05Å
260	R	96.4	Very high	96.2	Very high	45 Å²	45	33.1 Å²	33.1	17%	0.17	17%	0.171	C	C	.	.	I	π-helix	trans	-63	-33.2	177.1	-65.6	-178	69.2	-172.2	3.9	112	D228 A230 E231 K257 V258 I262 E264 L265	D228-R260 IonicContact OD1-NH1 3.63Å; D228-R260 PolarHBondContact OD1-NH1 2.71Å; D228-R260 IonicContact OD2-CZ 2.77Å; D228-R260 IonicContact OD2-NH1 3.37Å; D228-R260 PolarHBondContact OD2-NH1 3.48Å; A230-R260 HydrophobicContact CB-CB 3.91Å; E231-R260 IonicContact OE1-NH1 3.53Å; E231-R260 PolarHBondContact OE1-NH1 3.13Å; E231-R260 VanDerWaalsContact OE1-NH1 3.08Å; K257-R260 HydrophobicContact CB-CG 4.01Å; K257-R260 HydrophobicContact CD-CG 4.49Å; K257-R260 WeakPolarHBondContact O-CB 3.33Å; K257-R260 PolarHBondContact O-N 3.19Å; V258-R260 VanDerWaalsContact C-N 3.29Å; V258-R260 PolarHBondContact O-N 2.83Å; R260-I262 PolarHBondContact O-N 3.47Å; R260-E264 HydrophobicContact CB-CB 4.48Å; R260-E264 HydrophobicContact CB-CG 4.42Å; R260-E264 HydrophobicContact CG-CG 4.42Å; R260-E264 IonicContact CZ-OE2 3.8Å; R260-E264 IonicContact NE-OE1 3.55Å; R260-E264 IonicContact NE-OE2 2.69Å; R260-E264 PolarHBondContact NE-OE2 3.3Å; R260-E264 IonicContact NH2-OE2 2.84Å; R260-E264 PolarHBondContact NH2-OE2 3.07Å; R260-E264 WeakPolarHBondContact O-CB 3.41Å; R260-E264 PolarHBondContact O-N 3.04Å; R260-L265 PolarHBondContact O-N 3.42Å
261	L	96.7	Very high	96.3	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	18%	0.182	C	C	.	.	I	π-helix	trans	-60.9	-29.5	173.5	-57.9	179.7	0	0	0	111.9	A229 V258 D259 L265 K266 L267 A272 K275 L276	A229-L261 HydrophobicContact CB-CD1 3.9Å; A229-L261 HydrophobicContact CB-CD2 4.3Å; A229-L261 HydrophobicContact CB-CG 3.93Å; A229-L261 WeakPolarHBondContact O-CD2 3.5Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 3.46Å; D259-L261 VanDerWaalsContact C-N 3.25Å; D259-L261 PolarHBondContact O-N 3.34Å; L261-L265 HydrophobicContact CD2-CD1 4.02Å; L261-K266 PolarHBondContact O-N 3.05Å; L261-L267 HydrophobicContact CD2-CD1 4.05Å; L261-L267 PolarHBondContact O-N 2.98Å; L261-A272 HydrophobicContact CB-CB 4.23Å; L261-A272 HydrophobicContact CD1-CB 4.11Å; L261-K275 HydrophobicContact CD2-CG 3.93Å; L261-L276 HydrophobicContact CD1-CD1 4.44Å; L261-L276 HydrophobicContact CD1-CD2 3.88Å; L261-L276 HydrophobicContact CD1-CG 3.95Å
262	I	95.1	Very high	96.3	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.097	18%	0.18	C	C	.	.	I	π-helix	trans	-96.6	-52.2	-169.5	-48.6	-175	0	0	0	110.7	D259 R260 K266 L375 Y376 L379	D259-I262 CarbonylContact O-C 3.55Å; D259-I262 WeakPolarHBondContact O-CA 3.22Å; D259-I262 WeakPolarHBondContact O-CB 3.48Å; D259-I262 PolarHBondContact O-N 2.85Å; R260-I262 PolarHBondContact O-N 3.47Å; I262-K266 WeakPolarHBondContact O-CA 3.14Å; I262-L375 HydrophobicContact CD1-CD2 3.97Å; I262-L375 HydrophobicContact CD1-CG 3.92Å; I262-Y376 HydrophobicContact CB-CE1 4.32Å; I262-Y376 HydrophobicContact CB-CE2 4.38Å; I262-Y376 HydrophobicContact CD1-CD2 3.54Å; I262-Y376 HydrophobicContact CD1-CE2 3.47Å; I262-Y376 VanDerWaalsContact CD1-CE2 3.47Å; I262-Y376 HydrophobicContact CD1-CG 4.32Å; I262-Y376 HydrophobicContact CG1-CD2 3.89Å; I262-Y376 HydrophobicContact CG1-CE1 4.17Å; I262-Y376 HydrophobicContact CG1-CE2 3.42Å; I262-Y376 VanDerWaalsContact CG1-CE2 3.42Å; I262-Y376 HydrophobicContact CG1-CG 4.5Å; I262-Y376 HydrophobicContact CG2-CD1 3.79Å; I262-Y376 HydrophobicContact CG2-CD2 4.21Å; I262-Y376 HydrophobicContact CG2-CE1 3.88Å; I262-Y376 HydrophobicContact CG2-CE2 4.35Å; I262-Y376 HydrophobicContact CG2-CG 3.97Å; I262-L379 HydrophobicContact CB-CD1 4.32Å; I262-L379 HydrophobicContact CD1-CD1 3.35Å; I262-L379 HydrophobicContact CG1-CD1 4.33Å; I262-L379 HydrophobicContact CG2-CB 4.15Å; I262-L379 HydrophobicContact CG2-CD1 4.13Å
263	V	93.3	Very high	96.3	Very high	47 Å²	47	35.3 Å²	35.3	29%	0.285	18%	0.18	S	C	.	.	I	π-helix	trans	-91.9	-37.1	-170.3	-175.3	0	0	0	0	111.8	D259 K266 L379	D259-V263 PolarHBondContact O-N 3.02Å; V263-K266 WeakPolarHBondContact O-CE 3.46Å; V263-L379 HydrophobicContact CG2-CD2 4.16Å
264	E	93.8	Very high	96.3	Very high	112 Å²	112	39 Å²	39	52%	0.523	19%	0.194	S	C	.	.	I	π-helix	trans	-91.6	-63.9	-177.8	-60.6	-177.5	178.7	0	0	111.8	R260 K266	R260-E264 HydrophobicContact CB-CB 4.48Å; R260-E264 HydrophobicContact CB-CG 4.42Å; R260-E264 HydrophobicContact CG-CG 4.42Å; R260-E264 IonicContact CZ-OE2 3.8Å; R260-E264 IonicContact NE-OE1 3.55Å; R260-E264 IonicContact NE-OE2 2.69Å; R260-E264 PolarHBondContact NE-OE2 3.3Å; R260-E264 IonicContact NH2-OE2 2.84Å; R260-E264 PolarHBondContact NH2-OE2 3.07Å; R260-E264 WeakPolarHBondContact O-CB 3.41Å; R260-E264 PolarHBondContact O-N 3.04Å; E264-K266 VanDerWaalsContact C-N 3.3Å; E264-K266 PolarHBondContact O-N 3.18Å
265	L	94.7	Very high	96.2	Very high	46 Å²	46	39.5 Å²	39.5	24%	0.241	20%	0.197	C	C	.	.	S	Bend	trans	-75.4	-21.9	-177.2	-64.6	173.2	0	0	0	112.6	A230 R260 L261 L267	A230-L265 HydrophobicContact CB-CD1 3.8Å; R260-L265 PolarHBondContact O-N 3.42Å; L261-L265 HydrophobicContact CD2-CD1 4.02Å; L265-L267 HydrophobicContact CB-CD1 4.47Å; L265-L267 HydrophobicContact CB-CD2 4.44Å; L265-L267 HydrophobicContact CB-CG 3.92Å; L265-L267 HydrophobicContact CD1-CD1 4.46Å; L265-L267 PolarHBondContact O-N 3.49Å
266	K	95.6	Very high	96.2	Very high	162 Å²	162	39.6 Å²	39.6	70%	0.704	20%	0.197	S	C	*	.			trans	50.7	40.4	178.7	-59	177	-176.1	177.7	0	112.5	L261 I262 V263 E264	L261-K266 PolarHBondContact O-N 3.05Å; I262-K266 WeakPolarHBondContact O-CA 3.14Å; V263-K266 WeakPolarHBondContact O-CE 3.46Å; E264-K266 VanDerWaalsContact C-N 3.3Å; E264-K266 PolarHBondContact O-N 3.18Å
267	L	96	Very high	96.1	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.183	21%	0.21	C	C	.	.			trans	-67	145.4	178.6	-64.5	-179.5	0	0	0	109.8	L261 L265 D271 A272 Y376	L261-L267 HydrophobicContact CD2-CD1 4.05Å; L261-L267 PolarHBondContact O-N 2.98Å; L265-L267 HydrophobicContact CB-CD1 4.47Å; L265-L267 HydrophobicContact CB-CD2 4.44Å; L265-L267 HydrophobicContact CB-CG 3.92Å; L265-L267 HydrophobicContact CD1-CD1 4.46Å; L265-L267 PolarHBondContact O-N 3.49Å; L267-D271 HydrophobicContact CB-CB 4.49Å; L267-A272 HydrophobicContact CB-CB 4.24Å; L267-Y376 WeakPolarHBondContact O-CE1 3.23Å; L267-Y376 PolarHBondContact O-OH 3.04Å; L267-Y376 VanDerWaalsContact O-OH 3.05Å
268	P	96.4	Very high	96.1	Very high	67 Å²	67	44.2 Å²	44.2	44%	0.435	22%	0.216	S	C	.	.			trans	-57.3	147.3	165.8	-24.7	34.8	0	0	0	110.9	T270 D271 A272	P268-T270 PolarHBondContact O-N 3Å; P268-D271 WeakPolarHBondContact CD-OD2 2.99Å; P268-D271 WeakPolarHBondContact CG-OD2 3.04Å; P268-D271 PolarHBondContact O-N 3.07Å; P268-A272 PolarHBondContact O-N 3.3Å
269	P	96.3	Very high	96.1	Very high	30 Å²	30	44 Å²	44	20%	0.195	21%	0.214	C	C	.	.	H	α-helix	trans	-53.1	-33.1	-179.6	-29.8	35.3	0	0	0	114.4	Y273 V368 L372 Y376	P269-Y273 PolarHBondContact O-N 3.03Å; P269-V368 HydrophobicContact CB-CG1 3.64Å; P269-L372 HydrophobicContact CB-CB 4.21Å; P269-L372 WeakPolarHBondContact O-CD1 3.34Å; P269-Y376 HydrophobicContact CB-CE2 4.46Å; P269-Y376 HydrophobicContact CG-CD1 3.79Å; P269-Y376 HydrophobicContact CG-CD2 4.33Å; P269-Y376 HydrophobicContact CG-CE1 3.93Å; P269-Y376 HydrophobicContact CG-CE2 4.41Å; P269-Y376 HydrophobicContact CG-CG 4Å
270	T	95.3	Very high	96.2	Very high	35 Å²	35	43.6 Å²	43.6	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-38.4	177	-60.3	0	0	0	0	112.4	P268 Y273 Y274	P268-T270 PolarHBondContact O-N 3Å; T270-Y273 WeakPolarHBondContact O-CB 3.5Å; T270-Y273 PolarHBondContact O-N 3.26Å; T270-Y274 HydrophobicContact CG2-CD2 4.28Å; T270-Y274 HydrophobicContact CG2-CE2 3.7Å; T270-Y274 VanDerWaalsContact O-CD2 3.23Å; T270-Y274 WeakPolarHBondContact O-CD2 3.48Å; T270-Y274 PolarHBondContact O-N 3.23Å; T270-Y274 VanDerWaalsContact O-N 3.13Å
271	D	96	Very high	96.1	Very high	78 Å²	78	45.5 Å²	45.5	42%	0.417	23%	0.226	S	C	.	.	H	α-helix	trans	-76.4	-36.7	179.9	-63.4	-24.2	0	0	0	111.2	L267 P268 Y273 Y274 K275	L267-D271 HydrophobicContact CB-CB 4.49Å; P268-D271 WeakPolarHBondContact CD-OD2 2.99Å; P268-D271 WeakPolarHBondContact CG-OD2 3.04Å; P268-D271 PolarHBondContact O-N 3.07Å; D271-Y273 VanDerWaalsContact C-N 3.31Å; D271-Y273 PolarHBondContact O-N 3.23Å; D271-Y274 PolarHBondContact O-N 3.43Å; D271-Y274 VanDerWaalsContact O-N 3.12Å; D271-K275 PolarHBondContact O-N 3.33Å
272	A	96.7	Very high	96.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-41.3	169.4	0	0	0	0	0	111.8	L261 L267 P268 Y274 K275 L276 L372 Y376	L261-A272 HydrophobicContact CB-CB 4.23Å; L261-A272 HydrophobicContact CD1-CB 4.11Å; L267-A272 HydrophobicContact CB-CB 4.24Å; P268-A272 PolarHBondContact O-N 3.3Å; A272-Y274 VanDerWaalsContact C-N 3.34Å; A272-Y274 PolarHBondContact O-N 3.06Å; A272-K275 PolarHBondContact O-N 3.47Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.31Å; A272-L372 HydrophobicContact CB-CD1 4.46Å; A272-Y376 WeakPolarHBondContact CB-OH 3.34Å
273	Y	97.2	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-43.6	171.6	166.9	-105.1	0	0	0	112.3	P269 T270 D271 K275 L276 R277 W342 G343 R365 F367 V368	P269-Y273 PolarHBondContact O-N 3.03Å; T270-Y273 WeakPolarHBondContact O-CB 3.5Å; T270-Y273 PolarHBondContact O-N 3.26Å; D271-Y273 VanDerWaalsContact C-N 3.31Å; D271-Y273 PolarHBondContact O-N 3.23Å; Y273-K275 VanDerWaalsContact C-N 3.34Å; Y273-K275 PolarHBondContact O-N 3.21Å; Y273-L276 PolarHBondContact O-N 3.09Å; Y273-R277 WeakPolarHBondContact O-CB 3.46Å; Y273-R277 PolarHBondContact O-N 2.78Å; Y273-W342 HydrophobicContact CD2-CE3 4.26Å; Y273-W342 HydrophobicContact CD2-CH2 4.03Å; Y273-W342 AromaticContact CD2-CZ3 3.73Å; Y273-W342 HydrophobicContact CD2-CZ3 3.73Å; Y273-W342 HydrophobicContact CE2-CD2 4.06Å; Y273-W342 AromaticContact CE2-CE3 3.7Å; Y273-W342 HydrophobicContact CE2-CE3 3.7Å; Y273-W342 AromaticContact CE2-CH2 3.69Å; Y273-W342 HydrophobicContact CE2-CH2 3.69Å; Y273-W342 HydrophobicContact CE2-CZ2 4.05Å; Y273-W342 AromaticContact CE2-CZ3 3.51Å; Y273-W342 HydrophobicContact CE2-CZ3 3.51Å; Y273-G343 VanDerWaalsContact OH-CA 3.28Å; Y273-G343 WeakPolarHBondContact OH-CA 3.48Å; Y273-G343 PolarHBondContact OH-N 2.66Å; Y273-R365 HydrophobicContact CE1-CG 4.41Å; Y273-F367 HydrophobicContact CD2-CB 4.06Å; Y273-F367 AromaticContact CD2-CD1 3.49Å; Y273-F367 HydrophobicContact CD2-CD1 3.49Å; Y273-F367 VanDerWaalsContact CD2-CD1 3.49Å; Y273-F367 HydrophobicContact CD2-CE1 4.25Å; Y273-F367 HydrophobicContact CD2-CG 4.05Å; Y273-F367 HydrophobicContact CE2-CB 4.1Å; Y273-F367 HydrophobicContact CE2-CD1 4.17Å; Y273-F367 HydrophobicContact CE2-CG 4.32Å; Y273-F367 HydrophobicContact CG-CD1 4.39Å; Y273-V368 HydrophobicContact CD1-CG2 4.36Å; Y273-V368 HydrophobicContact CG-CG2 4.01Å
274	Y	96.8	Very high	96.2	Very high	79 Å²	79	47.1 Å²	47.1	31%	0.31	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-37.4	176.7	-67.7	-49.4	0	0	0	112.6	T270 D271 A272 R277 H278 R365	T270-Y274 HydrophobicContact CG2-CD2 4.28Å; T270-Y274 HydrophobicContact CG2-CE2 3.7Å; T270-Y274 VanDerWaalsContact O-CD2 3.23Å; T270-Y274 WeakPolarHBondContact O-CD2 3.48Å; T270-Y274 PolarHBondContact O-N 3.23Å; T270-Y274 VanDerWaalsContact O-N 3.13Å; D271-Y274 PolarHBondContact O-N 3.43Å; D271-Y274 VanDerWaalsContact O-N 3.12Å; A272-Y274 VanDerWaalsContact C-N 3.34Å; A272-Y274 PolarHBondContact O-N 3.06Å; Y274-R277 PolarHBondContact O-N 3.43Å; Y274-H278 VanDerWaalsContact O-CB 3.25Å; Y274-H278 WeakPolarHBondContact O-CB 3.23Å; Y274-H278 PolarHBondContact O-N 2.94Å; Y274-R365 VanDerWaalsContact OH-CZ 3.23Å; Y274-R365 PolarHBondContact OH-NH1 2.98Å; Y274-R365 PolarHBondContact OH-NH2 2.79Å
275	K	97	Very high	96.3	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-48.1	173.4	176.7	58.7	172.5	174.7	0	111.5	A229 A230 E231 L261 D271 A272 Y273 R277 H278 I279 P862	A229-K275 WeakPolarHBondContact O-CE 3.2Å; A229-K275 WeakPolarHBondContact O-CG 3.35Å; A230-K275 WeakPolarHBondContact O-CE 3.25Å; A230-K275 PolarHBondContact O-NZ 2.69Å; E231-K275 PolarHBondContact O-NZ 2.93Å; L261-K275 HydrophobicContact CD2-CG 3.93Å; D271-K275 PolarHBondContact O-N 3.33Å; A272-K275 PolarHBondContact O-N 3.47Å; Y273-K275 VanDerWaalsContact C-N 3.34Å; Y273-K275 PolarHBondContact O-N 3.21Å; K275-R277 VanDerWaalsContact C-N 3.34Å; K275-R277 PolarHBondContact O-N 3.15Å; K275-H278 WeakPolarHBondContact O-CB 3.41Å; K275-H278 PolarHBondContact O-N 3.19Å; K275-I279 HydrophobicContact CD-CD1 4.48Å; K275-I279 WeakPolarHBondContact O-CG1 3.38Å; K275-I279 PolarHBondContact O-N 3.16Å; K275-I279 VanDerWaalsContact O-N 3.08Å; K275-P862 WeakPolarHBondContact CD-O 3.21Å; K275-P862 VanDerWaalsContact CE-O 3.25Å; K275-P862 WeakPolarHBondContact CE-O 3.28Å; K275-P862 PolarHBondContact NZ-O 3.24Å
276	L	97.6	Very high	96.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.6	-67.8	174.1	0	0	0	111.9	A229 I255 V258 L261 A272 Y273 I279 V280 F307 W342 F367 L372	A229-L276 HydrophobicContact CB-CD2 4.19Å; I255-L276 HydrophobicContact CB-CD2 4.49Å; I255-L276 HydrophobicContact CD1-CD2 4.44Å; I255-L276 HydrophobicContact CG2-CD2 3.59Å; V258-L276 HydrophobicContact CG1-CD2 4.2Å; L261-L276 HydrophobicContact CD1-CD1 4.44Å; L261-L276 HydrophobicContact CD1-CD2 3.88Å; L261-L276 HydrophobicContact CD1-CG 3.95Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.31Å; Y273-L276 PolarHBondContact O-N 3.09Å; L276-I279 PolarHBondContact O-N 3.43Å; L276-V280 WeakPolarHBondContact O-CG2 3.34Å; L276-V280 PolarHBondContact O-N 3.42Å; L276-F307 HydrophobicContact CB-CE1 4.16Å; L276-F307 HydrophobicContact CD1-CD1 4.15Å; L276-F307 HydrophobicContact CD1-CE1 3.99Å; L276-F307 HydrophobicContact CD2-CD1 4.08Å; L276-F307 HydrophobicContact CD2-CE1 4.1Å; L276-F307 HydrophobicContact CG-CE1 4.31Å; L276-W342 HydrophobicContact CB-CH2 4.18Å; L276-F367 HydrophobicContact CD1-CE1 3.99Å; L276-F367 HydrophobicContact CD1-CZ 4.49Å; L276-L372 HydrophobicContact CD1-CD2 4.29Å
277	R	97	Very high	96	Very high	73 Å²	73	36 Å²	36	28%	0.275	19%	0.19	S	C	.	.	H	α-helix	trans	-63.9	-43.1	176.4	-172.1	-177.9	71.3	172.6	2.3	111.6	Y273 Y274 K275 I279 V280 D281 W342 D344	Y273-R277 WeakPolarHBondContact O-CB 3.46Å; Y273-R277 PolarHBondContact O-N 2.78Å; Y274-R277 PolarHBondContact O-N 3.43Å; K275-R277 VanDerWaalsContact C-N 3.34Å; K275-R277 PolarHBondContact O-N 3.15Å; R277-I279 VanDerWaalsContact C-N 3.31Å; R277-I279 PolarHBondContact O-N 3.35Å; R277-V280 PolarHBondContact O-N 3.06Å; R277-V280 VanDerWaalsContact O-N 3.14Å; R277-D281 VanDerWaalsContact O-CG 3.24Å; R277-D281 PolarHBondContact O-N 3.34Å; R277-W342 HydrophobicContact CB-CH2 4.13Å; R277-W342 HydrophobicContact CB-CZ2 3.88Å; R277-W342 HydrophobicContact CG-CZ2 4.04Å; R277-D344 IonicContact NH1-OD2 3.43Å
278	H	96.9	Very high	95.8	Very high	66 Å²	66	38.6 Å²	38.6	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-41.6	178.4	178.6	55.1	0	0	0	112.2	Y274 K275 V280 D281 E282 P862	Y274-H278 VanDerWaalsContact O-CB 3.25Å; Y274-H278 WeakPolarHBondContact O-CB 3.23Å; Y274-H278 PolarHBondContact O-N 2.94Å; K275-H278 WeakPolarHBondContact O-CB 3.41Å; K275-H278 PolarHBondContact O-N 3.19Å; H278-V280 VanDerWaalsContact C-N 3.35Å; H278-V280 PolarHBondContact O-N 3.29Å; H278-D281 PolarHBondContact O-N 3.32Å; H278-E282 WeakPolarHBondContact O-CB 3.42Å; H278-E282 PolarHBondContact O-N 3.05Å; H278-P862 WeakPolarHBondContact NE2-CG 3.43Å
279	I	97.5	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.4	-68	168.1	0	0	0	111	I227 I255 K275 L276 R277 D281 E282 V283	I227-I279 HydrophobicContact CB-CG2 4.33Å; I227-I279 HydrophobicContact CD1-CG2 3.93Å; I227-I279 HydrophobicContact CG2-CG2 3.76Å; I255-I279 HydrophobicContact CD1-CB 4.36Å; I255-I279 HydrophobicContact CD1-CG2 4.01Å; I255-I279 HydrophobicContact CG1-CG2 4.19Å; I255-I279 HydrophobicContact CG2-CD1 4.28Å; K275-I279 HydrophobicContact CD-CD1 4.48Å; K275-I279 WeakPolarHBondContact O-CG1 3.38Å; K275-I279 PolarHBondContact O-N 3.16Å; K275-I279 VanDerWaalsContact O-N 3.08Å; L276-I279 PolarHBondContact O-N 3.43Å; R277-I279 VanDerWaalsContact C-N 3.31Å; R277-I279 PolarHBondContact O-N 3.35Å; I279-D281 PolarHBondContact O-N 3.5Å; I279-E282 PolarHBondContact O-N 2.99Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 2.88Å
280	V	97.1	Very high	95.2	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-41.7	178.3	176.2	0	0	0	0	111.4	I255 L276 R277 H278 V283 N284 V298 P300 V305	I255-V280 HydrophobicContact CD1-CG2 3.82Å; L276-V280 WeakPolarHBondContact O-CG2 3.34Å; L276-V280 PolarHBondContact O-N 3.42Å; R277-V280 PolarHBondContact O-N 3.06Å; R277-V280 VanDerWaalsContact O-N 3.14Å; H278-V280 VanDerWaalsContact C-N 3.35Å; H278-V280 PolarHBondContact O-N 3.29Å; V280-V283 PolarHBondContact O-N 3.42Å; V280-N284 PolarHBondContact O-N 2.96Å; V280-N284 PolarHBondContact O-ND2 3.37Å; V280-V298 HydrophobicContact CG1-CG2 4.5Å; V280-V298 WeakPolarHBondContact CG1-O 3.43Å; V280-P300 HydrophobicContact CG2-CG 4.49Å; V280-V305 HydrophobicContact CG2-CG1 4.31Å
281	D	96.1	Very high	94.7	Very high	84 Å²	84	41.4 Å²	41.4	45%	0.449	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-40.7	179.3	-65.9	-22.5	0	0	0	111.4	R277 H278 I279 N284 A285	R277-D281 VanDerWaalsContact O-CG 3.24Å; R277-D281 PolarHBondContact O-N 3.34Å; H278-D281 PolarHBondContact O-N 3.32Å; I279-D281 PolarHBondContact O-N 3.5Å; D281-N284 PolarHBondContact O-N 3.06Å; D281-A285 PolarHBondContact O-N 3.49Å
282	E	95.8	Very high	94	Very high	68 Å²	68	44.3 Å²	44.3	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-45.2	176.9	-172.4	174.2	-162.6	0	0	111.4	V233 H278 I279 N284 A285 M286	V233-E282 HydrophobicContact CB-CG 4.19Å; V233-E282 WeakPolarHBondContact CB-OE2 3.32Å; V233-E282 HydrophobicContact CG2-CB 4.15Å; V233-E282 HydrophobicContact CG2-CG 3.9Å; V233-E282 WeakPolarHBondContact CG2-OE2 3.41Å; H278-E282 WeakPolarHBondContact O-CB 3.42Å; H278-E282 PolarHBondContact O-N 3.05Å; I279-E282 PolarHBondContact O-N 2.99Å; E282-N284 VanDerWaalsContact C-N 3.34Å; E282-N284 PolarHBondContact O-N 3.41Å; E282-A285 WeakPolarHBondContact O-CB 3.33Å; E282-A285 PolarHBondContact O-N 3.35Å; E282-A285 VanDerWaalsContact O-N 3.16Å; E282-M286 WeakPolarHBondContact O-CG 3.48Å; E282-M286 PolarHBondContact O-N 3.25Å
283	V	96.3	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-40.9	176.1	178.1	0	0	0	0	111.7	I227 V233 I241 I253 I279 V280 A285 M286 L287 V298	I227-V283 HydrophobicContact CD1-CG2 3.53Å; V233-V283 HydrophobicContact CG2-CG2 3.77Å; I241-V283 HydrophobicContact CD1-CG1 3.85Å; I241-V283 HydrophobicContact CD1-CG2 4.31Å; I253-V283 HydrophobicContact CD1-CB 3.93Å; I253-V283 HydrophobicContact CD1-CG1 3.47Å; I253-V283 VanDerWaalsContact CD1-CG1 3.47Å; I253-V283 HydrophobicContact CD1-CG2 4.16Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 2.88Å; V280-V283 PolarHBondContact O-N 3.42Å; V283-A285 VanDerWaalsContact C-N 3.32Å; V283-A285 PolarHBondContact O-N 2.87Å; V283-M286 PolarHBondContact O-N 3.27Å; V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.29Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å; V283-L287 PolarHBondContact O-N 3.42Å; V283-V298 HydrophobicContact CB-CG2 4.35Å; V283-V298 HydrophobicContact CG1-CG2 4.05Å
284	N	95.3	Very high	91.9	Very high	35 Å²	35	57.9 Å²	57.9	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-39.1	174.1	-80.9	-53.9	0	0	0	112.4	V280 D281 E282 M286 L287 S288 V298	V280-N284 PolarHBondContact O-N 2.96Å; V280-N284 PolarHBondContact O-ND2 3.37Å; D281-N284 PolarHBondContact O-N 3.06Å; E282-N284 VanDerWaalsContact C-N 3.34Å; E282-N284 PolarHBondContact O-N 3.41Å; N284-M286 VanDerWaalsContact C-N 3.32Å; N284-M286 PolarHBondContact O-N 3.49Å; N284-L287 PolarHBondContact O-N 3.07Å; N284-S288 WeakPolarHBondContact O-CB 3.2Å; N284-S288 PolarHBondContact O-N 3.45Å; N284-S288 PolarHBondContact O-OG 3.07Å; N284-V298 VanDerWaalsContact CG-CG2 3.49Å; N284-V298 PolarHBondContact ND2-O 2.82Å; N284-V298 WeakPolarHBondContact OD1-CG2 3.44Å; N284-V298 PolarHBondContact OD1-N 2.88Å; N284-V298 PolarHBondContact OD1-O 2.8Å
285	A	94.4	Very high	91.1	Very high	49 Å²	49	61.6 Å²	61.6	41%	0.405	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-42	175.5	0	0	0	0	0	111.3	D281 E282 V283 S288 T289	D281-A285 PolarHBondContact O-N 3.49Å; E282-A285 WeakPolarHBondContact O-CB 3.33Å; E282-A285 PolarHBondContact O-N 3.35Å; E282-A285 VanDerWaalsContact O-N 3.16Å; V283-A285 VanDerWaalsContact C-N 3.32Å; V283-A285 PolarHBondContact O-N 2.87Å; A285-S288 PolarHBondContact O-N 3.06Å; A285-S288 PolarHBondContact O-OG 3.24Å; A285-T289 PolarHBondContact O-N 3Å; A285-T289 VanDerWaalsContact O-N 3.14Å; A285-T289 PolarHBondContact O-OG1 2.69Å
286	M	92.7	Very high	90.4	Very high	34 Å²	34	63.9 Å²	63.9	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-66.9	-43.7	176.3	-60	-51	-79.5	0	0	112.3	E238 I241 E282 V283 N284 S288 T289 Y290	E238-M286 HydrophobicContact CB-CE 4.22Å; E238-M286 HydrophobicContact CG-CE 3.42Å; E238-M286 VanDerWaalsContact CG-CE 3.42Å; E238-M286 VanDerWaalsContact OE1-CE 3.27Å; E238-M286 WeakPolarHBondContact OE1-CE 3.3Å; I241-M286 HydrophobicContact CD1-CB 4.46Å; I241-M286 HydrophobicContact CG2-CB 4.45Å; E282-M286 WeakPolarHBondContact O-CG 3.48Å; E282-M286 PolarHBondContact O-N 3.25Å; V283-M286 PolarHBondContact O-N 3.27Å; N284-M286 VanDerWaalsContact C-N 3.32Å; N284-M286 PolarHBondContact O-N 3.49Å; M286-S288 VanDerWaalsContact C-N 3.31Å; M286-S288 PolarHBondContact O-N 2.87Å; M286-T289 WeakPolarHBondContact O-CB 3.33Å; M286-T289 PolarHBondContact O-N 3.08Å; M286-Y290 HydrophobicContact CB-CE2 4.27Å; M286-Y290 HydrophobicContact CE-CE2 3.81Å; M286-Y290 WeakPolarHBondContact CE-OH 3.43Å; M286-Y290 WeakPolarHBondContact O-CD2 3.46Å; M286-Y290 PolarHBondContact O-N 2.97Å
287	L	92.4	Very high	90.1	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-42.6	175.3	-72.5	170.4	0	0	0	111.7	I241 V245 I251 V283 N284 T289 Y290 S291 V298	I241-L287 HydrophobicContact CG2-CD2 3.67Å; I241-L287 HydrophobicContact CG2-CG 4.18Å; V245-L287 HydrophobicContact CG2-CD2 3.81Å; I251-L287 HydrophobicContact CD1-CD2 3.63Å; V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.29Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å; V283-L287 PolarHBondContact O-N 3.42Å; N284-L287 PolarHBondContact O-N 3.07Å; L287-T289 PolarHBondContact O-N 2.67Å; L287-Y290 PolarHBondContact O-N 2.94Å; L287-S291 VanDerWaalsContact O-CB 3.32Å; L287-S291 WeakPolarHBondContact O-CB 3.32Å; L287-S291 PolarHBondContact O-N 3.32Å; L287-V298 HydrophobicContact CD1-CB 4.5Å; L287-V298 HydrophobicContact CD1-CG1 3.81Å; L287-V298 HydrophobicContact CD1-CG2 3.96Å
288	S	91.3	Very high	90	Very high	89 Å²	89	63.9 Å²	63.9	62%	0.622	35%	0.352	S	S	*	.	H	α-helix	trans	-67.1	-19.8	176	73.3	0	0	0	0	113.9	N284 A285 M286	N284-S288 WeakPolarHBondContact O-CB 3.2Å; N284-S288 PolarHBondContact O-N 3.45Å; N284-S288 PolarHBondContact O-OG 3.07Å; A285-S288 PolarHBondContact O-N 3.06Å; A285-S288 PolarHBondContact O-OG 3.24Å; M286-S288 VanDerWaalsContact C-N 3.31Å; M286-S288 PolarHBondContact O-N 2.87Å
289	T	90.8	Very high	90	Very high	102 Å²	102	61.8 Å²	61.8	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-83.8	-40.3	177.4	-57.4	0	0	0	0	111.3	A285 M286 L287	A285-T289 PolarHBondContact O-N 3Å; A285-T289 VanDerWaalsContact O-N 3.14Å; A285-T289 PolarHBondContact O-OG1 2.69Å; M286-T289 WeakPolarHBondContact O-CB 3.33Å; M286-T289 PolarHBondContact O-N 3.08Å; L287-T289 PolarHBondContact O-N 2.67Å
290	Y	88.1	Confident	89.9	Confident	71 Å²	71	61.9 Å²	61.9	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-93.8	-24	-175.3	-59.4	-52.1	0	0	0	114.4	E238 I241 K242 M286 L287	E238-Y290 WeakPolarHBondContact CG-OH 3.33Å; E238-Y290 PolarHBondContact OE1-OH 2.81Å; E238-Y290 VanDerWaalsContact OE1-OH 3.08Å; I241-Y290 HydrophobicContact CG2-CD2 4.17Å; K242-Y290 HydrophobicContact CB-CD1 4.35Å; K242-Y290 HydrophobicContact CB-CD2 3.99Å; K242-Y290 HydrophobicContact CB-CE1 4.27Å; K242-Y290 HydrophobicContact CB-CE2 3.86Å; K242-Y290 HydrophobicContact CB-CG 4.22Å; K242-Y290 HydrophobicContact CD-CD1 4.42Å; K242-Y290 HydrophobicContact CD-CE1 4.06Å; K242-Y290 HydrophobicContact CG-CD1 4.02Å; K242-Y290 HydrophobicContact CG-CE1 4.07Å; K242-Y290 HydrophobicContact CG-CG 4.26Å; M286-Y290 HydrophobicContact CB-CE2 4.27Å; M286-Y290 HydrophobicContact CE-CE2 3.81Å; M286-Y290 WeakPolarHBondContact CE-OH 3.43Å; M286-Y290 WeakPolarHBondContact O-CD2 3.46Å; M286-Y290 PolarHBondContact O-N 2.97Å; L287-Y290 PolarHBondContact O-N 2.94Å
291	S	86.7	Confident	89.9	Confident	18 Å²	18	65 Å²	65	13%	0.126	36%	0.362	C	S	.	.			trans	-109.5	140	178.8	-170.8	0	0	0	0	111.4	L287 D293 L296	L287-S291 VanDerWaalsContact O-CB 3.32Å; L287-S291 WeakPolarHBondContact O-CB 3.32Å; L287-S291 PolarHBondContact O-N 3.32Å; S291-D293 VanDerWaalsContact C-N 3.33Å; S291-D293 PolarHBondContact OG-N 3.21Å; S291-D293 VanDerWaalsContact OG-N 3.07Å; S291-L296 WeakPolarHBondContact OG-CD1 3.38Å
292	T	81	Confident	89.8	Confident	139 Å²	139	65.4 Å²	65.4	85%	0.853	36%	0.364	S	S	*	.			trans	-84.8	-9.8	167.6	52	0	0	0	0	112.8	E294	T292-E294 PolarHBondContact O-N 2.92Å
293	D	79.4	Confident	89.8	Confident	103 Å²	103	62.8 Å²	62.8	55%	0.551	36%	0.355	S	S	*	.			trans	-84.8	110.1	-176.2	-68.6	-22.4	0	0	0	111.1	S291 N295 L296	S291-D293 VanDerWaalsContact C-N 3.33Å; S291-D293 PolarHBondContact OG-N 3.21Å; S291-D293 VanDerWaalsContact OG-N 3.07Å; D293-N295 PolarHBondContact O-N 2.96Å; D293-L296 HydrophobicContact CB-CD1 4.15Å; D293-L296 PolarHBondContact O-N 3.25Å
294	E	70.3	Confident	89.7	Confident	182 Å²	182	63.3 Å²	63.3	85%	0.85	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.1	178.4	-63.2	-176	174.1	0	0	113.8	T292	T292-E294 PolarHBondContact O-N 2.92Å
295	N	79.3	Confident	89.9	Confident	158 Å²	158	61.7 Å²	61.7	85%	0.845	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.4	-177.9	-66.6	-28.2	0	0	0	113.6	D293 V297	D293-N295 PolarHBondContact O-N 2.96Å; N295-V297 VanDerWaalsContact C-N 3.29Å; N295-V297 PolarHBondContact O-N 3.1Å
296	L	82.4	Confident	90	Very high	59 Å²	59	59.3 Å²	59.3	31%	0.309	33%	0.33	S	S	.	.			trans	-85.4	66.5	-179.1	-76	165.5	0	0	0	111.3	S291 D293	S291-L296 WeakPolarHBondContact OG-CD1 3.38Å; D293-L296 HydrophobicContact CB-CD1 4.15Å; D293-L296 PolarHBondContact O-N 3.25Å
297	V	92	Very high	90.3	Very high	71 Å²	71	57.7 Å²	57.7	43%	0.43	32%	0.322	S	S	.	.			trans	-106.1	131	176.3	179.5	0	0	0	0	110.5	N295 L302 N304	N295-V297 VanDerWaalsContact C-N 3.29Å; N295-V297 PolarHBondContact O-N 3.1Å; V297-L302 WeakPolarHBondContact O-CD1 3.42Å; V297-N304 PolarHBondContact O-ND2 2.94Å
298	V	94.2	Very high	90.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.32	C	S	.	.			trans	-98.7	128.1	175.3	-66.2	0	0	0	0	111.1	I253 V280 V283 N284 L287 N304 V305	I253-V298 HydrophobicContact CD1-CB 3.71Å; I253-V298 HydrophobicContact CD1-CG1 3.81Å; I253-V298 HydrophobicContact CD1-CG2 3.54Å; I253-V298 HydrophobicContact CG1-CG1 4.25Å; V280-V298 HydrophobicContact CG1-CG2 4.5Å; V280-V298 WeakPolarHBondContact CG1-O 3.43Å; V283-V298 HydrophobicContact CB-CG2 4.35Å; V283-V298 HydrophobicContact CG1-CG2 4.05Å; N284-V298 VanDerWaalsContact CG-CG2 3.49Å; N284-V298 PolarHBondContact ND2-O 2.82Å; N284-V298 WeakPolarHBondContact OD1-CG2 3.44Å; N284-V298 PolarHBondContact OD1-N 2.88Å; N284-V298 PolarHBondContact OD1-O 2.8Å; L287-V298 HydrophobicContact CD1-CB 4.5Å; L287-V298 HydrophobicContact CD1-CG1 3.81Å; L287-V298 HydrophobicContact CD1-CG2 3.96Å; V298-N304 WeakPolarHBondContact CA-ND2 3.37Å; V298-V305 HydrophobicContact CB-CG2 4.22Å
299	S	96.5	Very high	90.8	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.161	29%	0.291	C	S	.	.			trans	-159.2	135.8	177.9	-179.3	0	0	0	0	111.4	L301 L302 G303 N304	S299-L301 PolarHBondContact O-N 3.3Å; S299-L301 PolarHBondContact OG-N 2.93Å; S299-L302 WeakPolarHBondContact O-CB 3.27Å; S299-L302 PolarHBondContact O-N 3.22Å; S299-G303 PolarHBondContact O-N 3.42Å; S299-N304 PolarHBondContact N-OD1 2.75Å; S299-N304 PolarHBondContact O-OD1 2.99Å
300	P	96.6	Very high	91	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.013	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.1	173.7	-25.6	33.8	0	0	0	114.1	V280 L302 G303 V305 F307 L318 W342	V280-P300 HydrophobicContact CG2-CG 4.49Å; P300-L302 VanDerWaalsContact C-N 3.34Å; P300-G303 PolarHBondContact O-N 3.49Å; P300-V305 HydrophobicContact CB-CB 4.35Å; P300-V305 HydrophobicContact CG-CB 3.89Å; P300-V305 HydrophobicContact CG-CG1 4.06Å; P300-V305 HydrophobicContact CG-CG2 4.33Å; P300-F307 HydrophobicContact CB-CE2 4.01Å; P300-F307 HydrophobicContact CB-CZ 4.19Å; P300-F307 HydrophobicContact CG-CE2 4.03Å; P300-F307 HydrophobicContact CG-CZ 3.7Å; P300-L318 HydrophobicContact CB-CD1 3.92Å; P300-L318 HydrophobicContact CB-CD2 4.49Å; P300-L318 HydrophobicContact CB-CG 4.04Å; P300-L318 VanDerWaalsContact O-CD1 3.3Å; P300-L318 WeakPolarHBondContact O-CD1 3.41Å; P300-W342 HydrophobicContact CB-CD2 4.07Å; P300-W342 HydrophobicContact CB-CE3 4.34Å; P300-W342 HydrophobicContact CB-CG 4.14Å; P300-W342 HydrophobicContact CG-CD2 3.82Å; P300-W342 HydrophobicContact CG-CE3 4.11Å; P300-W342 HydrophobicContact CG-CG 4.27Å; P300-W342 HydrophobicContact CG-CH2 4.34Å; P300-W342 HydrophobicContact CG-CZ2 4.04Å; P300-W342 HydrophobicContact CG-CZ3 4.37Å
301	L	95.7	Very high	91.2	Very high	69 Å²	69	47.8 Å²	47.8	36%	0.361	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31	176.4	-69.1	173.3	0	0	0	113.5	S299 G303 L318 K339 W342	S299-L301 PolarHBondContact O-N 3.3Å; S299-L301 PolarHBondContact OG-N 2.93Å; L301-G303 VanDerWaalsContact C-N 3.28Å; L301-L318 HydrophobicContact CD2-CD1 3.94Å; L301-K339 WeakPolarHBondContact CD2-O 3.22Å; L301-W342 HydrophobicContact CD2-CB 3.69Å; L301-W342 HydrophobicContact CG-CB 3.86Å; L301-W342 HydrophobicContact CG-CG 4.25Å
302	L	95.1	Very high	91.6	Very high	94 Å²	94	47.7 Å²	47.7	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.2	176.2	-61.2	175.2	0	0	0	111.1	V297 S299 P300 H435	V297-L302 WeakPolarHBondContact O-CD1 3.42Å; S299-L302 WeakPolarHBondContact O-CB 3.27Å; S299-L302 PolarHBondContact O-N 3.22Å; P300-L302 VanDerWaalsContact C-N 3.34Å; L302-H435 PolarHBondContact O-CE1 3.07Å; L302-H435 PolarHBondContact O-NE2 3.1Å
303	G	94.9	Very high	92.2	Very high	13 Å²	13	41.3 Å²	41.3	13%	0.134	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	8	-176.9	0	0	0	0	0	114.1	S299 P300 L301 V305 M431	S299-G303 PolarHBondContact O-N 3.42Å; P300-G303 PolarHBondContact O-N 3.49Å; L301-G303 VanDerWaalsContact C-N 3.28Å; G303-V305 VanDerWaalsContact C-N 3.35Å; G303-M431 WeakPolarHBondContact O-CB 3.15Å; G303-M431 VanDerWaalsContact O-CG 3.3Å; G303-M431 WeakPolarHBondContact O-CG 3.48Å
304	N	95.8	Very high	93	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	19%	0.194	C	C	.	.			trans	-90.7	6.4	176.4	60.1	0.2	0	0	0	114	T252 I253 V297 V298 S299 H435	T252-N304 WeakPolarHBondContact CA-O 3.36Å; T252-N304 HydrophobicContact CG2-CB 4.31Å; I253-N304 PolarHBondContact N-O 3.48Å; V297-N304 PolarHBondContact O-ND2 2.94Å; V298-N304 WeakPolarHBondContact CA-ND2 3.37Å; S299-N304 PolarHBondContact N-OD1 2.75Å; S299-N304 PolarHBondContact O-OD1 2.99Å; N304-H435 HydrophobicContact CB-CB 4.3Å; N304-H435 PolarHBondContact N-NE2 2.78Å
305	V	97.8	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.1	173.9	-175.8	0	0	0	0	109.8	I253 I255 V280 V298 P300 G303	I253-V305 HydrophobicContact CB-CG1 4.37Å; I253-V305 HydrophobicContact CB-CG2 4.28Å; I253-V305 HydrophobicContact CG2-CG1 4.46Å; I253-V305 CarbonylContact O-C 3.51Å; I253-V305 VanDerWaalsContact O-CA 3.27Å; I253-V305 WeakPolarHBondContact O-CA 3.46Å; I255-V305 HydrophobicContact CD1-CG1 4.06Å; I255-V305 HydrophobicContact CG1-CG1 4.27Å; V280-V305 HydrophobicContact CG2-CG1 4.31Å; V298-V305 HydrophobicContact CB-CG2 4.22Å; P300-V305 HydrophobicContact CB-CB 4.35Å; P300-V305 HydrophobicContact CG-CB 3.89Å; P300-V305 HydrophobicContact CG-CG1 4.06Å; P300-V305 HydrophobicContact CG-CG2 4.33Å; G303-V305 VanDerWaalsContact C-N 3.35Å
306	C	97	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	151.3	167.9	54.4	0	0	0	0	112.4	I253 C254 I255 T317 M431	I253-C306 PolarHBondContact O-N 3.25Å; C254-C306 CarbonylContact C-O 3.53Å; C254-C306 WeakPolarHBondContact CA-O 3.38Å; C254-C306 WeakPolarHBondContact CA-SG 3.46Å; C254-C306 HydrophobicContact CB-CB 4.47Å; C254-C306 WeakPolarHBondContact CB-SG 3.1Å; C254-C306 WeakPolarHBondContact SG-CB 3.48Å; C254-C306 CovalentContact SG-SG 2.07Å; C254-C306 PolarHBondContact SG-SG 3.21Å; I255-C306 PolarHBondContact N-O 2.77Å; C306-T317 HydrophobicContact CB-CG2 4.09Å; C306-M431 HydrophobicContact CB-SD 3.96Å; C306-M431 VanDerWaalsContact SG-CE 3.53Å; C306-M431 VanDerWaalsContact SG-SD 3.63Å
307	F	98.3	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131	169.6	-58.2	-79.8	0	0	0	108.4	I255 V258 L276 P300 C315 F316 W342 F367	I255-F307 HydrophobicContact CB-CD1 4.16Å; I255-F307 HydrophobicContact CD1-CD1 4.3Å; I255-F307 HydrophobicContact CD1-CE1 3.87Å; I255-F307 WeakPolarHBondContact O-CA 3.35Å; V258-F307 HydrophobicContact CG1-CB 4.27Å; L276-F307 HydrophobicContact CB-CE1 4.16Å; L276-F307 HydrophobicContact CD1-CD1 4.15Å; L276-F307 HydrophobicContact CD1-CE1 3.99Å; L276-F307 HydrophobicContact CD2-CD1 4.08Å; L276-F307 HydrophobicContact CD2-CE1 4.1Å; L276-F307 HydrophobicContact CG-CE1 4.31Å; P300-F307 HydrophobicContact CB-CE2 4.01Å; P300-F307 HydrophobicContact CB-CZ 4.19Å; P300-F307 HydrophobicContact CG-CE2 4.03Å; P300-F307 HydrophobicContact CG-CZ 3.7Å; F307-C315 WeakPolarHBondContact O-CA 3.44Å; F307-F316 HydrophobicContact CB-CD2 4.25Å; F307-F316 HydrophobicContact CB-CE1 4.06Å; F307-F316 HydrophobicContact CB-CE2 3.7Å; F307-F316 HydrophobicContact CB-CZ 3.6Å; F307-F316 HydrophobicContact CD2-CD2 4.22Å; F307-F316 AromaticContact CD2-CE2 3.69Å; F307-F316 HydrophobicContact CD2-CE2 3.69Å; F307-F316 HydrophobicContact CD2-CZ 4.37Å; F307-F316 HydrophobicContact CG-CE2 4.01Å; F307-F316 HydrophobicContact CG-CZ 4.23Å; F307-F316 PolarHBondContact N-O 3.2Å; F307-F316 PolarHBondContact O-N 2.96Å; F307-W342 HydrophobicContact CE1-CZ3 4.31Å; F307-W342 HydrophobicContact CE2-CZ3 4.41Å; F307-W342 HydrophobicContact CZ-CE3 4.17Å; F307-W342 HydrophobicContact CZ-CH2 4.05Å; F307-W342 AromaticContact CZ-CZ3 3.61Å; F307-W342 HydrophobicContact CZ-CZ3 3.61Å; F307-F367 HydrophobicContact CD2-CE2 4.39Å; F307-F367 HydrophobicContact CD2-CZ 4.14Å; F307-F367 HydrophobicContact CE1-CZ 4.36Å; F307-F367 AromaticContact CE2-CE2 3.87Å; F307-F367 HydrophobicContact CE2-CE2 3.87Å; F307-F367 AromaticContact CE2-CZ 3.77Å; F307-F367 HydrophobicContact CE2-CZ 3.77Å; F307-F367 HydrophobicContact CZ-CE2 4.3Å; F307-F367 AromaticContact CZ-CZ 3.9Å; F307-F367 HydrophobicContact CZ-CZ 3.9Å
308	A	97.7	Very high	96.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.1	-175.2	0	0	0	0	0	113.2	F143 I255 N256 K257 V258 V314	F143-A308 HydrophobicContact CD2-CB 4.27Å; F143-A308 HydrophobicContact CE2-CB 3.97Å; I255-A308 PolarHBondContact O-N 2.91Å; N256-A308 CarbonylContact C-O 3.57Å; N256-A308 WeakPolarHBondContact CA-O 3.39Å; N256-A308 PolarHBondContact OD1-O 2.78Å; K257-A308 PolarHBondContact N-O 2.81Å; V258-A308 WeakPolarHBondContact CG2-O 3.48Å; V258-A308 PolarHBondContact N-O 2.78Å; V258-A308 VanDerWaalsContact N-O 3.1Å; A308-V314 CarbonylContact C-O 3.55Å; A308-V314 WeakPolarHBondContact CA-O 3.13Å; A308-V314 WeakPolarHBondContact CB-O 3.44Å
309	S	97.2	Very high	96.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	95.5	160.5	174.6	0	0	0	0	107.1	N256 D259 Q311 Y312 C313 V314	N256-S309 WeakPolarHBondContact OD1-CA 3.28Å; D259-S309 WeakPolarHBondContact OD1-CB 2.96Å; D259-S309 PolarHBondContact OD1-OG 3.11Å; S309-Q311 PolarHBondContact O-N 2.78Å; S309-Y312 CarbonylContact O-C 3.51Å; S309-Y312 PolarHBondContact O-N 2.94Å; S309-Y312 WeakPolarHBondContact OG-CD2 3.39Å; S309-C313 PolarHBondContact O-N 3.44Å; S309-V314 PolarHBondContact N-O 2.07Å; S309-V314 PolarHBondContact O-N 2.76Å
310	S	95	Very high	96.2	Very high	5 Å²	5	14.7 Å²	14.7	4%	0.035	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.5	179	54.5	0	0	0	0	112.7	C146 N256 Y312 R415	C146-S310 PolarHBondContact SG-O 3.2Å; N256-S310 PolarHBondContact ND2-OG 2.52Å; N256-S310 PolarHBondContact OD1-N 3.14Å; N256-S310 PolarHBondContact OD1-OG 2.67Å; S310-Y312 VanDerWaalsContact C-N 3.31Å; S310-Y312 PolarHBondContact O-N 2.81Å; S310-R415 PolarHBondContact O-NH1 3.3Å
311	Q	92.9	Very high	96.1	Very high	52 Å²	52	14.7 Å²	14.7	24%	0.243	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.2	-38.6	176.7	-173	63.4	5	0	0	112	S309 R415	S309-Q311 PolarHBondContact O-N 2.78Å; Q311-R415 PolarHBondContact O-NH1 3.18Å
312	Y	93.9	Very high	96.1	Very high	17 Å²	17	11.4 Å²	11.4	7%	0.067	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-110.5	16.1	-175.2	-57	-57.6	0	0	0	113.8	D259 S309 S310 V314 L379 R411 L414 R415 C418	D259-Y312 HydrophobicContact CB-CD2 3.68Å; D259-Y312 HydrophobicContact CB-CE2 3.72Å; D259-Y312 WeakPolarHBondContact OD2-CE2 3.05Å; S309-Y312 CarbonylContact O-C 3.51Å; S309-Y312 PolarHBondContact O-N 2.94Å; S309-Y312 WeakPolarHBondContact OG-CD2 3.39Å; S310-Y312 VanDerWaalsContact C-N 3.31Å; S310-Y312 PolarHBondContact O-N 2.81Å; Y312-V314 VanDerWaalsContact C-N 3.27Å; Y312-V314 PolarHBondContact O-N 3.42Å; Y312-L379 HydrophobicContact CD2-CD2 4.47Å; Y312-R411 HydrophobicContact CE1-CB 4.4Å; Y312-R411 HydrophobicContact CE1-CG 4.43Å; Y312-L414 HydrophobicContact CD1-CB 3.58Å; Y312-L414 HydrophobicContact CD1-CD1 4.27Å; Y312-L414 HydrophobicContact CE1-CB 3.77Å; Y312-L414 HydrophobicContact CE1-CD1 3.8Å; Y312-L414 HydrophobicContact CE1-CG 4.47Å; Y312-L414 HydrophobicContact CE2-CD1 4.35Å; Y312-L414 HydrophobicContact CG-CB 4.26Å; Y312-R415 HydrophobicContact CD1-CB 4.38Å; Y312-C418 WeakPolarHBondContact O-CB 3.4Å
313	C	94.8	Very high	96.1	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.027	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	36.5	-177.9	-69.8	0	0	0	0	114.2	C146 S309 R415 K419 F425	C146-C313 VanDerWaalsContact SG-SG 3.66Å; S309-C313 PolarHBondContact O-N 3.44Å; C313-R415 HydrophobicContact CB-CG 4.4Å; C313-R415 PolarHBondContact SG-NH1 3.17Å; C313-R415 PolarHBondContact SG-NH2 3.16Å; C313-K419 HydrophobicContact CB-CB 4.11Å; C313-F425 HydrophobicContact CB-CE1 4.24Å; C313-F425 HydrophobicContact CB-CZ 4.42Å
314	V	96.6	Very high	96.1	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.018	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.1	172.2	-178.7	0	0	0	0	108.2	A308 S309 Y312 F316 C418 F422	A308-V314 CarbonylContact C-O 3.55Å; A308-V314 WeakPolarHBondContact CA-O 3.13Å; A308-V314 WeakPolarHBondContact CB-O 3.44Å; S309-V314 PolarHBondContact N-O 2.07Å; S309-V314 PolarHBondContact O-N 2.76Å; Y312-V314 VanDerWaalsContact C-N 3.27Å; Y312-V314 PolarHBondContact O-N 3.42Å; V314-F316 HydrophobicContact CG1-CD1 3.68Å; V314-F316 HydrophobicContact CG1-CE1 3.72Å; V314-C418 HydrophobicContact CG2-CB 3.79Å; V314-F422 HydrophobicContact CB-CD2 4.25Å; V314-F422 HydrophobicContact CB-CE2 4.14Å; V314-F422 HydrophobicContact CG1-CD1 4.43Å; V314-F422 HydrophobicContact CG1-CD2 4.01Å; V314-F422 HydrophobicContact CG1-CE1 4.07Å; V314-F422 HydrophobicContact CG1-CE2 3.62Å; V314-F422 HydrophobicContact CG1-CG 4.42Å; V314-F422 HydrophobicContact CG1-CZ 3.66Å; V314-F422 HydrophobicContact CG2-CD2 3.94Å; V314-F422 HydrophobicContact CG2-CE2 3.69Å
315	C	97.4	Very high	96	Very high	4 Å²	4	11.7 Å²	11.7	3%	0.027	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	122.1	169.2	-178	0	0	0	0	109	F143 F307 F425	F143-C315 HydrophobicContact CE2-CB 4.31Å; F307-C315 WeakPolarHBondContact O-CA 3.44Å; C315-F425 HydrophobicContact CB-CB 4.3Å; C315-F425 HydrophobicContact CB-CD1 3.79Å; C315-F425 HydrophobicContact CB-CD2 3.58Å; C315-F425 HydrophobicContact CB-CE1 3.89Å; C315-F425 HydrophobicContact CB-CE2 3.69Å; C315-F425 HydrophobicContact CB-CG 3.62Å; C315-F425 HydrophobicContact CB-CZ 3.84Å
316	F	97.4	Very high	95.8	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.013	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.3	176.1	63.2	-90.8	0	0	0	113	F307 V314 S320 F321 V371 L375 F422	F307-F316 HydrophobicContact CB-CD2 4.25Å; F307-F316 HydrophobicContact CB-CE1 4.06Å; F307-F316 HydrophobicContact CB-CE2 3.7Å; F307-F316 HydrophobicContact CB-CZ 3.6Å; F307-F316 HydrophobicContact CD2-CD2 4.22Å; F307-F316 AromaticContact CD2-CE2 3.69Å; F307-F316 HydrophobicContact CD2-CE2 3.69Å; F307-F316 HydrophobicContact CD2-CZ 4.37Å; F307-F316 HydrophobicContact CG-CE2 4.01Å; F307-F316 HydrophobicContact CG-CZ 4.23Å; F307-F316 PolarHBondContact N-O 3.2Å; F307-F316 PolarHBondContact O-N 2.96Å; V314-F316 HydrophobicContact CG1-CD1 3.68Å; V314-F316 HydrophobicContact CG1-CE1 3.72Å; F316-S320 VanDerWaalsContact CA-OG 3.23Å; F316-S320 WeakPolarHBondContact CA-OG 3.06Å; F316-S320 WeakPolarHBondContact CB-OG 3.47Å; F316-F321 HydrophobicContact CB-CB 4.3Å; F316-F321 HydrophobicContact CB-CD2 4.15Å; F316-F321 HydrophobicContact CD1-CD2 4.11Å; F316-F321 HydrophobicContact CD2-CB 4.11Å; F316-F321 AromaticContact CD2-CD2 3.75Å; F316-F321 HydrophobicContact CD2-CD2 3.75Å; F316-F321 HydrophobicContact CD2-CG 4.34Å; F316-F321 HydrophobicContact CE1-CD2 4.48Å; F316-F321 HydrophobicContact CE2-CD2 4.17Å; F316-F321 HydrophobicContact CG-CB 4.43Å; F316-F321 AromaticContact CG-CD2 3.73Å; F316-F321 HydrophobicContact CG-CD2 3.73Å; F316-V371 HydrophobicContact CD2-CG1 4.29Å; F316-V371 HydrophobicContact CE2-CG1 3.42Å; F316-V371 VanDerWaalsContact CE2-CG1 3.42Å; F316-V371 HydrophobicContact CZ-CG1 3.69Å; F316-L375 HydrophobicContact CE1-CD2 4.28Å; F316-L375 HydrophobicContact CZ-CD2 4.43Å; F316-F422 HydrophobicContact CB-CD1 4.5Å; F316-F422 HydrophobicContact CB-CE1 4.47Å; F316-F422 HydrophobicContact CD1-CD1 4.3Å; F316-F422 AromaticContact CD1-CE1 3.68Å; F316-F422 HydrophobicContact CD1-CE1 3.68Å; F316-F422 HydrophobicContact CD1-CZ 4.27Å; F316-F422 HydrophobicContact CE1-CE1 4.32Å; F316-F422 HydrophobicContact CG-CE1 4.33Å
317	T	97.6	Very high	95.6	Very high	5 Å²	5	18 Å²	18	3%	0.031	10%	0.095	C	C	.	.			trans	-101.1	174.9	158.1	59.9	0	0	0	0	108.5	C306 G319 S320 F321 G427 M431	C306-T317 HydrophobicContact CB-CG2 4.09Å; T317-G319 PolarHBondContact O-N 2.97Å; T317-G319 PolarHBondContact OG1-N 3.33Å; T317-S320 PolarHBondContact N-OG 3.09Å; T317-S320 PolarHBondContact O-N 2.86Å; T317-S320 PolarHBondContact O-OG 2.81Å; T317-S320 PolarHBondContact OG1-N 3.46Å; T317-F321 WeakPolarHBondContact O-CB 2.98Å; T317-F321 PolarHBondContact O-N 3.32Å; T317-G427 WeakPolarHBondContact CG2-O 3.13Å; T317-M431 HydrophobicContact CG2-CB 4.27Å
318	L	97	Very high	95.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-33	171.7	-57.3	-175.9	0	0	0	111.7	P300 L301 A322 A338 L341 W342 F367	P300-L318 HydrophobicContact CB-CD1 3.92Å; P300-L318 HydrophobicContact CB-CD2 4.49Å; P300-L318 HydrophobicContact CB-CG 4.04Å; P300-L318 VanDerWaalsContact O-CD1 3.3Å; P300-L318 WeakPolarHBondContact O-CD1 3.41Å; L301-L318 HydrophobicContact CD2-CD1 3.94Å; L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.23Å; L318-A338 HydrophobicContact CB-CB 3.94Å; L318-A338 WeakPolarHBondContact CD1-O 3.5Å; L318-A338 WeakPolarHBondContact O-CB 3.44Å; L318-L341 HydrophobicContact CB-CB 4.48Å; L318-L341 HydrophobicContact CD1-CB 4.28Å; L318-L341 HydrophobicContact CD2-CB 4Å; L318-L341 HydrophobicContact CG-CB 4.49Å; L318-W342 HydrophobicContact CD1-CB 3.54Å; L318-W342 HydrophobicContact CD2-CB 4.49Å; L318-F367 HydrophobicContact CD2-CD2 3.79Å; L318-F367 HydrophobicContact CD2-CE2 3.61Å
319	G	95.5	Very high	95	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	15%	0.15	C	C	.	.	H	α-helix	trans	-67.3	-51.2	177.7	0	0	0	0	0	112.5	T317 A322 K323	T317-G319 PolarHBondContact O-N 2.97Å; T317-G319 PolarHBondContact OG1-N 3.33Å; G319-A322 WeakPolarHBondContact O-CB 3.22Å; G319-A322 PolarHBondContact O-N 3.25Å; G319-K323 PolarHBondContact O-N 3Å
320	S	95.3	Very high	94.3	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-37.1	-178.8	69.9	0	0	0	0	112.1	F316 T317 A322 K323 I324	F316-S320 VanDerWaalsContact CA-OG 3.23Å; F316-S320 WeakPolarHBondContact CA-OG 3.06Å; F316-S320 WeakPolarHBondContact CB-OG 3.47Å; T317-S320 PolarHBondContact N-OG 3.09Å; T317-S320 PolarHBondContact O-N 2.86Å; T317-S320 PolarHBondContact O-OG 2.81Å; T317-S320 PolarHBondContact OG1-N 3.46Å; S320-A322 PolarHBondContact O-N 2.9Å; S320-K323 WeakPolarHBondContact O-CB 3.29Å; S320-K323 PolarHBondContact O-N 3Å; S320-K323 VanDerWaalsContact O-N 3.17Å; S320-I324 PolarHBondContact O-N 2.87Å
321	F	96.1	Very high	93.9	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-40.2	173.8	-154.2	-77.5	0	0	0	111.7	F316 T317 K323 I324 Y325 F370 V371 F422	F316-F321 HydrophobicContact CB-CB 4.3Å; F316-F321 HydrophobicContact CB-CD2 4.15Å; F316-F321 HydrophobicContact CD1-CD2 4.11Å; F316-F321 HydrophobicContact CD2-CB 4.11Å; F316-F321 AromaticContact CD2-CD2 3.75Å; F316-F321 HydrophobicContact CD2-CD2 3.75Å; F316-F321 HydrophobicContact CD2-CG 4.34Å; F316-F321 HydrophobicContact CE1-CD2 4.48Å; F316-F321 HydrophobicContact CE2-CD2 4.17Å; F316-F321 HydrophobicContact CG-CB 4.43Å; F316-F321 AromaticContact CG-CD2 3.73Å; F316-F321 HydrophobicContact CG-CD2 3.73Å; T317-F321 WeakPolarHBondContact O-CB 2.98Å; T317-F321 PolarHBondContact O-N 3.32Å; F321-K323 PolarHBondContact O-N 3.13Å; F321-I324 WeakPolarHBondContact O-CB 2.88Å; F321-I324 PolarHBondContact O-N 3.04Å; F321-Y325 AromaticContact CD1-CD2 3.94Å; F321-Y325 HydrophobicContact CD1-CD2 3.94Å; F321-Y325 AromaticContact CD1-CE2 3.64Å; F321-Y325 HydrophobicContact CD1-CE2 3.64Å; F321-Y325 HydrophobicContact CE1-CD2 4.13Å; F321-Y325 AromaticContact CE1-CE2 3.44Å; F321-Y325 HydrophobicContact CE1-CE2 3.44Å; F321-Y325 VanDerWaalsContact CE1-CE2 3.44Å; F321-Y325 PolarHBondContact O-N 3.43Å; F321-F370 WeakPolarHBondContact CE1-O 3.49Å; F321-V371 HydrophobicContact CD1-CG2 4.09Å; F321-V371 HydrophobicContact CD2-CG1 4.01Å; F321-V371 HydrophobicContact CE1-CG2 4.34Å; F321-V371 HydrophobicContact CE2-CG1 3.95Å; F321-V371 HydrophobicContact CG-CG1 4.3Å; F321-V371 HydrophobicContact CG-CG2 4.38Å; F321-V371 HydrophobicContact CZ-CG1 4.22Å; F321-F422 AromaticContact CD2-CE1 3.86Å; F321-F422 HydrophobicContact CD2-CE1 3.86Å; F321-F422 AromaticContact CE2-CE1 3.64Å; F321-F422 HydrophobicContact CE2-CE1 3.64Å; F321-F422 HydrophobicContact CE2-CZ 4.1Å
322	A	95.6	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-32.1	173.3	0	0	0	0	0	112.6	L318 G319 S320 Y325 S326 Y334 F337 A338 L341	L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.23Å; G319-A322 WeakPolarHBondContact O-CB 3.22Å; G319-A322 PolarHBondContact O-N 3.25Å; S320-A322 PolarHBondContact O-N 2.9Å; A322-Y325 WeakPolarHBondContact O-CB 3.39Å; A322-Y325 PolarHBondContact O-N 3.31Å; A322-S326 PolarHBondContact O-N 3.33Å; A322-Y334 WeakPolarHBondContact CB-O 3.33Å; A322-F337 HydrophobicContact CB-CB 4.35Å; A322-F337 HydrophobicContact CB-CD1 3.63Å; A322-F337 HydrophobicContact CB-CE1 4.49Å; A322-F337 HydrophobicContact CB-CG 4.45Å; A322-A338 HydrophobicContact CB-CB 4.18Å; A322-L341 HydrophobicContact CB-CD1 4.18Å
323	K	94.6	Very high	93.7	Very high	54 Å²	54	43.9 Å²	43.9	24%	0.235	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-40.9	175.5	-176.4	-176	160.6	80.5	0	111.4	S191 G319 S320 F321 Y325 S326 D327 Y334	S191-K323 WeakPolarHBondContact O-CD 3.46Å; S191-K323 WeakPolarHBondContact O-CE 3.29Å; S191-K323 PolarHBondContact O-NZ 2.63Å; G319-K323 PolarHBondContact O-N 3Å; S320-K323 WeakPolarHBondContact O-CB 3.29Å; S320-K323 PolarHBondContact O-N 3Å; S320-K323 VanDerWaalsContact O-N 3.17Å; F321-K323 PolarHBondContact O-N 3.13Å; K323-Y325 VanDerWaalsContact C-N 3.26Å; K323-Y325 PolarHBondContact O-N 3.39Å; K323-S326 WeakPolarHBondContact O-CA 3.47Å; K323-S326 WeakPolarHBondContact O-CB 3.5Å; K323-S326 PolarHBondContact O-N 3.1Å; K323-D327 IonicContact NZ-OD2 2.72Å; K323-D327 WeakPolarHBondContact O-CB 3.43Å; K323-D327 VanDerWaalsContact O-CG 3.29Å; K323-D327 PolarHBondContact O-N 2.83Å; K323-Y334 HydrophobicContact CB-CD2 4.35Å; K323-Y334 HydrophobicContact CB-CG 4.38Å
324	I	94.6	Very high	93.6	Very high	31 Å²	31	46.7 Å²	46.7	16%	0.159	25%	0.247	C	C	.	.	H	α-helix	trans	-55.5	-43.7	173.4	-59.2	170.1	0	0	0	110.7	S320 F321 D327 T328 F421 F422	S320-I324 PolarHBondContact O-N 2.87Å; F321-I324 WeakPolarHBondContact O-CB 2.88Å; F321-I324 PolarHBondContact O-N 3.04Å; I324-D327 PolarHBondContact O-N 2.7Å; I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.43Å; I324-T328 PolarHBondContact O-OG1 2.76Å; I324-F421 HydrophobicContact CD1-CE1 4.44Å; I324-F421 HydrophobicContact CG2-CE2 4.23Å; I324-F421 HydrophobicContact CG2-CZ 4.11Å; I324-F422 HydrophobicContact CD1-CD1 3.9Å; I324-F422 HydrophobicContact CD1-CE1 4.38Å
325	Y	94.4	Very high	93.4	Very high	38 Å²	38	49.3 Å²	49.3	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-43.2	174.4	-84	-74.6	0	0	0	113.1	F321 A322 K323 T328 Y329 F337 F370	F321-Y325 AromaticContact CD1-CD2 3.94Å; F321-Y325 HydrophobicContact CD1-CD2 3.94Å; F321-Y325 AromaticContact CD1-CE2 3.64Å; F321-Y325 HydrophobicContact CD1-CE2 3.64Å; F321-Y325 HydrophobicContact CE1-CD2 4.13Å; F321-Y325 AromaticContact CE1-CE2 3.44Å; F321-Y325 HydrophobicContact CE1-CE2 3.44Å; F321-Y325 VanDerWaalsContact CE1-CE2 3.44Å; F321-Y325 PolarHBondContact O-N 3.43Å; A322-Y325 WeakPolarHBondContact O-CB 3.39Å; A322-Y325 PolarHBondContact O-N 3.31Å; K323-Y325 VanDerWaalsContact C-N 3.26Å; K323-Y325 PolarHBondContact O-N 3.39Å; Y325-T328 PolarHBondContact O-N 2.75Å; Y325-Y329 AromaticContact CD1-CD2 3.77Å; Y325-Y329 HydrophobicContact CD1-CD2 3.77Å; Y325-Y329 AromaticContact CD1-CE2 3.58Å; Y325-Y329 HydrophobicContact CD1-CE2 3.58Å; Y325-Y329 AromaticContact CE1-CE2 3.93Å; Y325-Y329 HydrophobicContact CE1-CE2 3.93Å; Y325-Y329 WeakPolarHBondContact O-CD2 3.44Å; Y325-Y329 PolarHBondContact O-N 3.15Å; Y325-F337 AromaticContact CD2-CE1 3.82Å; Y325-F337 HydrophobicContact CD2-CE1 3.82Å; Y325-F337 HydrophobicContact CE2-CE1 4.33Å; Y325-F337 HydrophobicContact CG-CE1 4.14Å; Y325-F370 HydrophobicContact CE1-CD1 4.44Å; Y325-F370 HydrophobicContact CE2-CB 4.35Å; Y325-F370 WeakPolarHBondContact CE2-O 3.37Å; Y325-F370 PolarHBondContact OH-O 2.87Å
326	S	93.7	Very high	93.2	Very high	25 Å²	25	52.4 Å²	52.4	18%	0.175	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.7	177.2	175.4	0	0	0	0	111.6	A322 K323 T328 G330 I332	A322-S326 PolarHBondContact O-N 3.33Å; K323-S326 WeakPolarHBondContact O-CA 3.47Å; K323-S326 WeakPolarHBondContact O-CB 3.5Å; K323-S326 PolarHBondContact O-N 3.1Å; S326-T328 VanDerWaalsContact C-N 3.34Å; S326-G330 VanDerWaalsContact O-CA 3.29Å; S326-G330 WeakPolarHBondContact O-CA 3.09Å; S326-G330 PolarHBondContact O-N 3.12Å; S326-I332 PolarHBondContact OG-O 3.47Å
327	D	92.6	Very high	93.1	Very high	107 Å²	107	53.5 Å²	53.5	57%	0.572	28%	0.282	S	S	*	.	H	α-helix	trans	-71.1	-32.1	-177.7	-64.8	-15.4	0	0	0	111.3	K323 I324	K323-D327 IonicContact NZ-OD2 2.72Å; K323-D327 WeakPolarHBondContact O-CB 3.43Å; K323-D327 VanDerWaalsContact O-CG 3.29Å; K323-D327 PolarHBondContact O-N 2.83Å; I324-D327 PolarHBondContact O-N 2.7Å
328	T	92.8	Very high	92.9	Very high	82 Å²	82	53.8 Å²	53.8	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-79	-46.1	179.2	-55.2	0	0	0	0	113.1	I324 Y325 S326	I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.43Å; I324-T328 PolarHBondContact O-OG1 2.76Å; Y325-T328 PolarHBondContact O-N 2.75Å; S326-T328 VanDerWaalsContact C-N 3.34Å
329	Y	90.3	Very high	92.8	Very high	163 Å²	163	59.3 Å²	59.3	64%	0.639	31%	0.308	S	S	*	.	H	α-helix	trans	-104.1	-14.9	-170.4	-62.9	-72.2	0	0	0	114.5	Y325	Y325-Y329 AromaticContact CD1-CD2 3.77Å; Y325-Y329 HydrophobicContact CD1-CD2 3.77Å; Y325-Y329 AromaticContact CD1-CE2 3.58Å; Y325-Y329 HydrophobicContact CD1-CE2 3.58Å; Y325-Y329 AromaticContact CE1-CE2 3.93Å; Y325-Y329 HydrophobicContact CE1-CE2 3.93Å; Y325-Y329 WeakPolarHBondContact O-CD2 3.44Å; Y325-Y329 PolarHBondContact O-N 3.15Å
330	G	83.2	Confident	92.8	Very high	37 Å²	37	63.6 Å²	63.6	38%	0.381	32%	0.319	S	S	.	.	S	Bend	trans	66.8	158.2	-176	0	0	0	0	0	114	S326 I332	S326-G330 VanDerWaalsContact O-CA 3.29Å; S326-G330 WeakPolarHBondContact O-CA 3.09Å; S326-G330 PolarHBondContact O-N 3.12Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 3.24Å
331	D	85.8	Confident	92.8	Very high	183 Å²	183	63.3 Å²	63.3	98%	0.979	32%	0.317	S	S	*	.	S	Bend	trans	68.2	13.2	170.1	-124.3	13.2	0	0	0	116.9
332	I	90.5	Very high	92.8	Very high	59 Å²	59	63.9 Å²	63.9	30%	0.303	32%	0.32	S	S	.	.			trans	-106.1	124.5	176.7	-58.5	172.9	0	0	0	110.3	S326 G330 Y334 F337	S326-I332 PolarHBondContact OG-O 3.47Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 3.24Å; I332-Y334 PolarHBondContact O-N 2.99Å; I332-Y334 VanDerWaalsContact O-N 3.08Å; I332-F337 HydrophobicContact CG2-CB 4.15Å; I332-F337 HydrophobicContact CG2-CG 4.29Å
333	N	92.4	Very high	92.7	Very high	95 Å²	95	64.7 Å²	64.7	51%	0.508	33%	0.327	S	S	.	.			trans	-74	101.8	168.2	-175.5	-20	0	0	0	110.1	T335 E336 F337	N333-T335 VanDerWaalsContact C-N 3.25Å; N333-T335 PolarHBondContact O-N 3.24Å; N333-T335 PolarHBondContact OD1-N 3.18Å; N333-T335 VanDerWaalsContact OD1-N 3.07Å; N333-T335 PolarHBondContact OD1-OG1 2.77Å; N333-E336 HydrophobicContact CB-CB 4.5Å; N333-E336 PolarHBondContact O-N 2.96Å; N333-F337 WeakPolarHBondContact O-CB 3.33Å; N333-F337 PolarHBondContact O-N 3.12Å
334	Y	92.8	Very high	92.5	Very high	64 Å²	64	65.8 Å²	65.8	25%	0.251	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-32.3	-176.6	73.1	-87.7	0	0	0	113.5	A322 K323 I332 F337 A338	A322-Y334 WeakPolarHBondContact CB-O 3.33Å; K323-Y334 HydrophobicContact CB-CD2 4.35Å; K323-Y334 HydrophobicContact CB-CG 4.38Å; I332-Y334 PolarHBondContact O-N 2.99Å; I332-Y334 VanDerWaalsContact O-N 3.08Å; Y334-F337 PolarHBondContact O-N 3.03Å; Y334-A338 VanDerWaalsContact O-CB 3.3Å; Y334-A338 WeakPolarHBondContact O-CB 3.45Å; Y334-A338 PolarHBondContact O-N 3.35Å
335	T	92.2	Very high	92.5	Very high	58 Å²	58	65.8 Å²	65.8	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-43.8	-179.5	63.9	0	0	0	0	112.4	N333 F337 A338 K339	N333-T335 VanDerWaalsContact C-N 3.25Å; N333-T335 PolarHBondContact O-N 3.24Å; N333-T335 PolarHBondContact OD1-N 3.18Å; N333-T335 VanDerWaalsContact OD1-N 3.07Å; N333-T335 PolarHBondContact OD1-OG1 2.77Å; T335-F337 VanDerWaalsContact C-N 3.33Å; T335-A338 PolarHBondContact O-N 3.04Å; T335-K339 WeakPolarHBondContact O-CG 3.43Å; T335-K339 PolarHBondContact O-N 3.26Å
336	E	93.3	Very high	92.6	Very high	69 Å²	69	65.2 Å²	65.2	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-73.5	-28.2	176.8	-77.8	-62.5	125.1	0	0	112.3	N333 K339 R340	N333-E336 HydrophobicContact CB-CB 4.5Å; N333-E336 PolarHBondContact O-N 2.96Å; E336-K339 IonicContact OE1-NZ 3.56Å; E336-K339 PolarHBondContact OE1-NZ 2.95Å; E336-R340 IonicContact OE2-NH2 3.68Å; E336-R340 PolarHBondContact OE2-NH2 2.95Å
337	F	94.5	Very high	92.6	Very high	25 Å²	25	66 Å²	66	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-49.3	172	-170.7	-126.5	0	0	0	110.7	A322 Y325 I332 N333 Y334 T335 K339 R340 L341 F354 F370	A322-F337 HydrophobicContact CB-CB 4.35Å; A322-F337 HydrophobicContact CB-CD1 3.63Å; A322-F337 HydrophobicContact CB-CE1 4.49Å; A322-F337 HydrophobicContact CB-CG 4.45Å; Y325-F337 AromaticContact CD2-CE1 3.82Å; Y325-F337 HydrophobicContact CD2-CE1 3.82Å; Y325-F337 HydrophobicContact CE2-CE1 4.33Å; Y325-F337 HydrophobicContact CG-CE1 4.14Å; I332-F337 HydrophobicContact CG2-CB 4.15Å; I332-F337 HydrophobicContact CG2-CG 4.29Å; N333-F337 WeakPolarHBondContact O-CB 3.33Å; N333-F337 PolarHBondContact O-N 3.12Å; Y334-F337 PolarHBondContact O-N 3.03Å; T335-F337 VanDerWaalsContact C-N 3.33Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 3.2Å; F337-R340 PolarHBondContact O-N 3.21Å; F337-L341 HydrophobicContact CD1-CD1 4.01Å; F337-L341 HydrophobicContact CD1-CD2 4.37Å; F337-L341 HydrophobicContact CD1-CG 4.34Å; F337-L341 HydrophobicContact CE1-CD1 4.02Å; F337-L341 HydrophobicContact CE1-CD2 3.88Å; F337-L341 HydrophobicContact CE1-CG 4.3Å; F337-L341 HydrophobicContact CE2-CD2 4.24Å; F337-L341 HydrophobicContact CZ-CD2 3.8Å; F337-L341 PolarHBondContact O-N 2.87Å; F337-F354 AromaticContact CD2-CE2 3.83Å; F337-F354 HydrophobicContact CD2-CE2 3.83Å; F337-F354 AromaticContact CD2-CZ 3.84Å; F337-F354 HydrophobicContact CD2-CZ 3.84Å; F337-F354 AromaticContact CE2-CE2 3.86Å; F337-F354 HydrophobicContact CE2-CE2 3.86Å; F337-F354 AromaticContact CE2-CZ 3.47Å; F337-F354 HydrophobicContact CE2-CZ 3.47Å; F337-F354 VanDerWaalsContact CE2-CZ 3.47Å; F337-F354 HydrophobicContact CZ-CZ 4.49Å; F337-F370 AromaticContact CZ-CD1 3.83Å; F337-F370 HydrophobicContact CZ-CD1 3.83Å; F337-F370 HydrophobicContact CZ-CE1 4.23Å; F337-F370 HydrophobicContact CZ-CG 4.21Å
338	A	94.8	Very high	92.6	Very high	11 Å²	11	62.3 Å²	62.3	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-54	-42	179.3	0	0	0	0	0	113.3	L318 A322 Y334 T335 R340 L341	L318-A338 HydrophobicContact CB-CB 3.94Å; L318-A338 WeakPolarHBondContact CD1-O 3.5Å; L318-A338 WeakPolarHBondContact O-CB 3.44Å; A322-A338 HydrophobicContact CB-CB 4.18Å; Y334-A338 VanDerWaalsContact O-CB 3.3Å; Y334-A338 WeakPolarHBondContact O-CB 3.45Å; Y334-A338 PolarHBondContact O-N 3.35Å; T335-A338 PolarHBondContact O-N 3.04Å; A338-R340 PolarHBondContact O-N 3.26Å; A338-L341 PolarHBondContact O-N 2.77Å; A338-L341 VanDerWaalsContact O-N 3.12Å
339	K	94.8	Very high	92.5	Very high	118 Å²	118	62.6 Å²	62.6	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.8	176.2	-70	176.3	-171.3	169.3	0	114.6	L301 T335 E336 F337	L301-K339 WeakPolarHBondContact CD2-O 3.22Å; T335-K339 WeakPolarHBondContact O-CG 3.43Å; T335-K339 PolarHBondContact O-N 3.26Å; E336-K339 IonicContact OE1-NZ 3.56Å; E336-K339 PolarHBondContact OE1-NZ 2.95Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 3.2Å
340	R	95.3	Very high	92.5	Very high	108 Å²	108	64.1 Å²	64.1	41%	0.408	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-0	-177.9	-60.2	175.5	-173.9	142.1	9.5	112.8	E336 F337 A338 I345 F354 S366	E336-R340 IonicContact OE2-NH2 3.68Å; E336-R340 PolarHBondContact OE2-NH2 2.95Å; F337-R340 PolarHBondContact O-N 3.21Å; A338-R340 PolarHBondContact O-N 3.26Å; R340-I345 WeakPolarHBondContact O-CG2 3.47Å; R340-F354 HydrophobicContact CB-CB 4.46Å; R340-F354 HydrophobicContact CB-CD1 4.27Å; R340-F354 HydrophobicContact CB-CD2 3.91Å; R340-F354 HydrophobicContact CB-CE2 4.16Å; R340-F354 HydrophobicContact CB-CG 3.95Å; R340-F354 HydrophobicContact CB-CZ 4.42Å; R340-F354 VanDerWaalsContact CD-CD2 3.45Å; R340-F354 HydrophobicContact CG-CD2 4.31Å; R340-S366 WeakPolarHBondContact O-CB 3.16Å; R340-S366 PolarHBondContact O-OG 2.79Å
341	L	95.1	Very high	92.9	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-83.3	-9.5	-176.9	-74.4	179.8	0	0	0	113.9	L318 A322 F337 A338 S366 F367 F370	L318-L341 HydrophobicContact CB-CB 4.48Å; L318-L341 HydrophobicContact CD1-CB 4.28Å; L318-L341 HydrophobicContact CD2-CB 4Å; L318-L341 HydrophobicContact CG-CB 4.49Å; A322-L341 HydrophobicContact CB-CD1 4.18Å; F337-L341 HydrophobicContact CD1-CD1 4.01Å; F337-L341 HydrophobicContact CD1-CD2 4.37Å; F337-L341 HydrophobicContact CD1-CG 4.34Å; F337-L341 HydrophobicContact CE1-CD1 4.02Å; F337-L341 HydrophobicContact CE1-CD2 3.88Å; F337-L341 HydrophobicContact CE1-CG 4.3Å; F337-L341 HydrophobicContact CE2-CD2 4.24Å; F337-L341 HydrophobicContact CZ-CD2 3.8Å; F337-L341 PolarHBondContact O-N 2.87Å; A338-L341 PolarHBondContact O-N 2.77Å; A338-L341 VanDerWaalsContact O-N 3.12Å; L341-S366 PolarHBondContact O-OG 2.76Å; L341-F367 WeakPolarHBondContact O-CA 3.16Å; L341-F367 WeakPolarHBondContact O-CB 3.35Å; L341-F367 WeakPolarHBondContact O-CD2 3.29Å; L341-F367 PolarHBondContact O-N 2.87Å; L341-F370 HydrophobicContact CD2-CB 3.88Å; L341-F370 HydrophobicContact CD2-CG 4.39Å
342	W	96.1	Very high	93.1	Very high	15 Å²	15	67.2 Å²	67.2	6%	0.057	32%	0.322	C	S	.	.	S	Bend	trans	-129.2	152.6	-177.9	179.5	-92.2	0	0	0	113.2	Y273 L276 R277 P300 L301 F307 L318 F367	Y273-W342 HydrophobicContact CD2-CE3 4.26Å; Y273-W342 HydrophobicContact CD2-CH2 4.03Å; Y273-W342 AromaticContact CD2-CZ3 3.73Å; Y273-W342 HydrophobicContact CD2-CZ3 3.73Å; Y273-W342 HydrophobicContact CE2-CD2 4.06Å; Y273-W342 AromaticContact CE2-CE3 3.7Å; Y273-W342 HydrophobicContact CE2-CE3 3.7Å; Y273-W342 AromaticContact CE2-CH2 3.69Å; Y273-W342 HydrophobicContact CE2-CH2 3.69Å; Y273-W342 HydrophobicContact CE2-CZ2 4.05Å; Y273-W342 AromaticContact CE2-CZ3 3.51Å; Y273-W342 HydrophobicContact CE2-CZ3 3.51Å; L276-W342 HydrophobicContact CB-CH2 4.18Å; R277-W342 HydrophobicContact CB-CH2 4.13Å; R277-W342 HydrophobicContact CB-CZ2 3.88Å; R277-W342 HydrophobicContact CG-CZ2 4.04Å; P300-W342 HydrophobicContact CB-CD2 4.07Å; P300-W342 HydrophobicContact CB-CE3 4.34Å; P300-W342 HydrophobicContact CB-CG 4.14Å; P300-W342 HydrophobicContact CG-CD2 3.82Å; P300-W342 HydrophobicContact CG-CE3 4.11Å; P300-W342 HydrophobicContact CG-CG 4.27Å; P300-W342 HydrophobicContact CG-CH2 4.34Å; P300-W342 HydrophobicContact CG-CZ2 4.04Å; P300-W342 HydrophobicContact CG-CZ3 4.37Å; L301-W342 HydrophobicContact CD2-CB 3.69Å; L301-W342 HydrophobicContact CG-CB 3.86Å; L301-W342 HydrophobicContact CG-CG 4.25Å; F307-W342 HydrophobicContact CE1-CZ3 4.31Å; F307-W342 HydrophobicContact CE2-CZ3 4.41Å; F307-W342 HydrophobicContact CZ-CE3 4.17Å; F307-W342 HydrophobicContact CZ-CH2 4.05Å; F307-W342 AromaticContact CZ-CZ3 3.61Å; F307-W342 HydrophobicContact CZ-CZ3 3.61Å; L318-W342 HydrophobicContact CD1-CB 3.54Å; L318-W342 HydrophobicContact CD2-CB 4.49Å; W342-F367 HydrophobicContact CE3-CB 4.34Å; W342-F367 HydrophobicContact CE3-CD1 4.08Å; W342-F367 AromaticContact CE3-CD2 3.59Å; W342-F367 HydrophobicContact CE3-CD2 3.59Å; W342-F367 HydrophobicContact CE3-CE1 4.24Å; W342-F367 AromaticContact CE3-CE2 3.78Å; W342-F367 HydrophobicContact CE3-CE2 3.78Å; W342-F367 AromaticContact CE3-CG 3.72Å; W342-F367 HydrophobicContact CE3-CG 3.72Å; W342-F367 HydrophobicContact CE3-CZ 4.09Å; W342-F367 AromaticContact CZ3-CD1 3.87Å; W342-F367 HydrophobicContact CZ3-CD1 3.87Å; W342-F367 HydrophobicContact CZ3-CD2 4.11Å; W342-F367 AromaticContact CZ3-CE1 3.76Å; W342-F367 HydrophobicContact CZ3-CE1 3.76Å; W342-F367 HydrophobicContact CZ3-CE2 4.01Å; W342-F367 HydrophobicContact CZ3-CG 4.02Å; W342-F367 AromaticContact CZ3-CZ 3.82Å; W342-F367 HydrophobicContact CZ3-CZ 3.82Å
343	G	92.2	Very high	93.2	Very high	16 Å²	16	71.2 Å²	71.2	17%	0.165	34%	0.337	C	S	.	.	S	Bend	trans	91.7	-168.4	-178.7	0	0	0	0	0	113.3	Y273 I345	Y273-G343 VanDerWaalsContact OH-CA 3.28Å; Y273-G343 WeakPolarHBondContact OH-CA 3.48Å; Y273-G343 PolarHBondContact OH-N 2.66Å; G343-I345 PolarHBondContact O-N 2.74Å
344	D	92	Very high	93.3	Very high	78 Å²	78	68.8 Å²	68.8	42%	0.417	32%	0.322	S	S	.	.	S	Bend	trans	-76.7	57.6	176.6	-70.9	-52.2	0	0	0	111.8	R277 Y346 R365	R277-D344 IonicContact NH1-OD2 3.43Å; D344-Y346 HydrophobicContact CB-CE2 4.43Å; D344-R365 IonicContact OD1-CZ 3.29Å; D344-R365 IonicContact OD1-NE 3.99Å; D344-R365 PolarHBondContact OD1-NE 3.27Å; D344-R365 IonicContact OD1-NH2 3.91Å
345	I	94.8	Very high	93.3	Very high	30 Å²	30	68 Å²	68	15%	0.154	32%	0.324	C	S	.	.			trans	-112.6	137.7	173.4	-60	177.6	0	0	0	107.7	R340 G343 F354 R365 S366	R340-I345 WeakPolarHBondContact O-CG2 3.47Å; G343-I345 PolarHBondContact O-N 2.74Å; I345-F354 HydrophobicContact CG2-CB 3.82Å; I345-F354 HydrophobicContact CG2-CD1 3.79Å; I345-F354 HydrophobicContact CG2-CG 4.17Å; I345-R365 CarbonylContact O-C 3.6Å; I345-R365 VanDerWaalsContact O-CA 3.3Å; I345-R365 WeakPolarHBondContact O-CA 3.42Å; I345-S366 PolarHBondContact O-N 3.37Å; I345-S366 PolarHBondContact O-OG 2.85Å
346	Y	94.9	Very high	93.2	Very high	27 Å²	27	73.8 Å²	73.8	11%	0.106	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.6	-176.9	-58	-97.9	0	0	0	109.3	D344 F354 T355 A358 S363 Q364 R365	D344-Y346 HydrophobicContact CB-CE2 4.43Å; Y346-F354 CarbonylContact O-C 3.53Å; Y346-F354 VanDerWaalsContact O-CA 3.3Å; Y346-F354 WeakPolarHBondContact O-CA 3.38Å; Y346-T355 PolarHBondContact N-O 3.22Å; Y346-T355 PolarHBondContact O-N 2.82Å; Y346-A358 HydrophobicContact CD1-CB 4.02Å; Y346-A358 HydrophobicContact CD2-CB 4.44Å; Y346-A358 HydrophobicContact CE1-CB 3.97Å; Y346-A358 HydrophobicContact CE2-CB 4.41Å; Y346-A358 HydrophobicContact CG-CB 4.29Å; Y346-S363 WeakPolarHBondContact CE1-O 3.48Å; Y346-Q364 WeakPolarHBondContact CD1-O 3.43Å; Y346-R365 HydrophobicContact CE1-CG 4.09Å; Y346-R365 PolarHBondContact OH-NE 3.48Å
347	F	94.1	Very high	93	Very high	40 Å²	40	79 Å²	79	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.2	172.2	-179.2	-110.2	0	0	0	110.4	P349 F354 F370	F347-P349 HydrophobicContact CD1-CB 4.5Å; F347-P349 HydrophobicContact CE1-CB 4.12Å; F347-P349 WeakPolarHBondContact O-CD 3.43Å; F347-F354 HydrophobicContact CB-CD1 4.25Å; F347-F354 HydrophobicContact CB-CE1 4.05Å; F347-F354 HydrophobicContact CD2-CD1 4.28Å; F347-F354 HydrophobicContact CD2-CE1 4.02Å; F347-F354 HydrophobicContact CD2-CZ 4.18Å; F347-F354 HydrophobicContact CG-CE1 4.47Å; F347-F370 HydrophobicContact CB-CE2 3.58Å; F347-F370 HydrophobicContact CB-CZ 4.2Å; F347-F370 AromaticContact CD1-CE2 3.91Å; F347-F370 HydrophobicContact CD1-CE2 3.91Å; F347-F370 AromaticContact CD1-CZ 3.69Å; F347-F370 HydrophobicContact CD1-CZ 3.69Å; F347-F370 HydrophobicContact CD2-CE2 4.27Å; F347-F370 HydrophobicContact CD2-CZ 4.14Å; F347-F370 HydrophobicContact CE1-CZ 4.03Å; F347-F370 HydrophobicContact CE2-CZ 4.44Å; F347-F370 AromaticContact CG-CE2 3.68Å; F347-F370 HydrophobicContact CG-CE2 3.68Å; F347-F370 AromaticContact CG-CZ 3.75Å; F347-F370 HydrophobicContact CG-CZ 3.75Å; F347-F370 HydrophobicContact CZ-CZ 4.39Å
348	N	92.8	Very high	92.8	Very high	31 Å²	31	80.3 Å²	80.3	17%	0.166	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.8	172.3	-176.3	-17.9	0	0	0	109.4	K350 T351 R352 K353 P359	N348-K350 PolarHBondContact O-N 2.89Å; N348-K350 WeakPolarHBondContact OD1-CB 3.38Å; N348-K350 PolarHBondContact OD1-N 3.44Å; N348-T351 WeakPolarHBondContact CB-OG1 3.13Å; N348-T351 VanDerWaalsContact CG-OG1 3.31Å; N348-T351 PolarHBondContact ND2-OG1 2.92Å; N348-T351 PolarHBondContact O-N 3.14Å; N348-T351 PolarHBondContact OD1-N 3.38Å; N348-R352 WeakPolarHBondContact O-CA 3.45Å; N348-R352 PolarHBondContact O-N 3.42Å; N348-K353 PolarHBondContact N-O 3.48Å; N348-P359 HydrophobicContact CB-CB 4.02Å; N348-P359 HydrophobicContact CB-CG 4.05Å
349	P	90.8	Very high	92.3	Very high	87 Å²	87	81.9 Å²	81.9	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.2	-175.8	26	-34.4	0	0	0	112.8	F347	F347-P349 HydrophobicContact CD1-CB 4.5Å; F347-P349 HydrophobicContact CE1-CB 4.12Å; F347-P349 WeakPolarHBondContact O-CD 3.43Å
350	K	91.2	Very high	91.9	Very high	196 Å²	196	80.3 Å²	80.3	85%	0.852	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-41.8	178.7	-63.4	-177.2	179.6	177.8	0	112.1	N348	N348-K350 PolarHBondContact O-N 2.89Å; N348-K350 WeakPolarHBondContact OD1-CB 3.38Å; N348-K350 PolarHBondContact OD1-N 3.44Å
351	T	91.3	Very high	91.2	Very high	74 Å²	74	80.9 Å²	80.9	45%	0.454	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.2	-179.2	59.7	0	0	0	0	112.9	N348 K353	N348-T351 WeakPolarHBondContact CB-OG1 3.13Å; N348-T351 VanDerWaalsContact CG-OG1 3.31Å; N348-T351 PolarHBondContact ND2-OG1 2.92Å; N348-T351 PolarHBondContact O-N 3.14Å; N348-T351 PolarHBondContact OD1-N 3.38Å; T351-K353 WeakPolarHBondContact O-CG 3.14Å; T351-K353 PolarHBondContact O-N 3.42Å
352	R	89.8	Confident	90.7	Very high	211 Å²	211	87.6 Å²	87.6	80%	0.796	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.6	-172.4	-58.4	-174.2	68.1	177.2	0.8	112.6	N348	N348-R352 WeakPolarHBondContact O-CA 3.45Å; N348-R352 PolarHBondContact O-N 3.42Å
353	K	91.8	Very high	90.3	Very high	142 Å²	142	88.1 Å²	88.1	62%	0.617	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.8	-177.1	-73.6	-178.9	-176.6	-174.7	0	110.5	N348 T351	N348-K353 PolarHBondContact N-O 3.48Å; T351-K353 WeakPolarHBondContact O-CG 3.14Å; T351-K353 PolarHBondContact O-N 3.42Å
354	F	94.2	Very high	90.3	Very high	45 Å²	45	90 Å²	90	20%	0.197	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135	172.3	-69.5	-76.1	0	0	0	111.1	F337 R340 I345 Y346 F347 F370	F337-F354 AromaticContact CD2-CE2 3.83Å; F337-F354 HydrophobicContact CD2-CE2 3.83Å; F337-F354 AromaticContact CD2-CZ 3.84Å; F337-F354 HydrophobicContact CD2-CZ 3.84Å; F337-F354 AromaticContact CE2-CE2 3.86Å; F337-F354 HydrophobicContact CE2-CE2 3.86Å; F337-F354 AromaticContact CE2-CZ 3.47Å; F337-F354 HydrophobicContact CE2-CZ 3.47Å; F337-F354 VanDerWaalsContact CE2-CZ 3.47Å; F337-F354 HydrophobicContact CZ-CZ 4.49Å; R340-F354 HydrophobicContact CB-CB 4.46Å; R340-F354 HydrophobicContact CB-CD1 4.27Å; R340-F354 HydrophobicContact CB-CD2 3.91Å; R340-F354 HydrophobicContact CB-CE2 4.16Å; R340-F354 HydrophobicContact CB-CG 3.95Å; R340-F354 HydrophobicContact CB-CZ 4.42Å; R340-F354 VanDerWaalsContact CD-CD2 3.45Å; R340-F354 HydrophobicContact CG-CD2 4.31Å; I345-F354 HydrophobicContact CG2-CB 3.82Å; I345-F354 HydrophobicContact CG2-CD1 3.79Å; I345-F354 HydrophobicContact CG2-CG 4.17Å; Y346-F354 CarbonylContact O-C 3.53Å; Y346-F354 VanDerWaalsContact O-CA 3.3Å; Y346-F354 WeakPolarHBondContact O-CA 3.38Å; F347-F354 HydrophobicContact CB-CD1 4.25Å; F347-F354 HydrophobicContact CB-CE1 4.05Å; F347-F354 HydrophobicContact CD2-CD1 4.28Å; F347-F354 HydrophobicContact CD2-CE1 4.02Å; F347-F354 HydrophobicContact CD2-CZ 4.18Å; F347-F354 HydrophobicContact CG-CE1 4.47Å; F354-F370 HydrophobicContact CE1-CE2 4.49Å
355	T	92.9	Very high	90.4	Very high	47 Å²	47	88 Å²	88	29%	0.288	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.6	179.5	56.4	0	0	0	0	110.5	Y346 K357	Y346-T355 PolarHBondContact N-O 3.22Å; Y346-T355 PolarHBondContact O-N 2.82Å; T355-K357 VanDerWaalsContact C-N 3.34Å; T355-K357 PolarHBondContact OG1-O 2.86Å
356	K	91.3	Very high	90.4	Very high	179 Å²	179	86.5 Å²	86.5	78%	0.778	44%	0.437	S	S	*	.	S	Bend	trans	-74.9	-25.5	174.6	-65.5	-171.9	177.3	-172.8	0	113.1
357	K	89.3	Confident	90.6	Very high	180 Å²	180	85.2 Å²	85.2	78%	0.783	43%	0.432	S	S	*	.	S	Bend	trans	-89.8	136.4	173	-66.8	-172.7	178.5	-176	0	108.9	T355 P359	T355-K357 VanDerWaalsContact C-N 3.34Å; T355-K357 PolarHBondContact OG1-O 2.86Å; K357-P359 WeakPolarHBondContact O-CD 3.29Å
358	A	88.8	Confident	90.7	Very high	51 Å²	51	83.3 Å²	83.3	42%	0.421	42%	0.424	S	S	.	.			trans	-60	122.7	174.9	0	0	0	0	0	109.8	Y346 T360	Y346-A358 HydrophobicContact CD1-CB 4.02Å; Y346-A358 HydrophobicContact CD2-CB 4.44Å; Y346-A358 HydrophobicContact CE1-CB 3.97Å; Y346-A358 HydrophobicContact CE2-CB 4.41Å; Y346-A358 HydrophobicContact CG-CB 4.29Å; A358-T360 VanDerWaalsContact C-N 3.32Å
359	P	85.6	Confident	90.8	Very high	45 Å²	45	84.8 Å²	84.8	29%	0.292	43%	0.429	S	S	.	.	S	Bend	trans	-71.9	-27	-177.6	22.8	-28	0	0	0	112.8	N348 K357 S363	N348-P359 HydrophobicContact CB-CB 4.02Å; N348-P359 HydrophobicContact CB-CG 4.05Å; K357-P359 WeakPolarHBondContact O-CD 3.29Å; P359-S363 WeakPolarHBondContact CG-OG 3.43Å
360	T	85.8	Confident	91.1	Very high	84 Å²	84	82.2 Å²	82.2	52%	0.515	41%	0.409	S	S	.	.	S	Bend	trans	-135.6	161.5	167.4	66.1	0	0	0	0	109.7	A358 N362 S363	A358-T360 VanDerWaalsContact C-N 3.32Å; T360-N362 PolarHBondContact O-N 2.82Å; T360-N362 VanDerWaalsContact O-N 3.16Å; T360-S363 PolarHBondContact N-OG 2.77Å; T360-S363 VanDerWaalsContact N-OG 3.13Å; T360-S363 WeakPolarHBondContact O-CB 3.38Å; T360-S363 PolarHBondContact O-N 3.08Å; T360-S363 VanDerWaalsContact O-N 3.12Å; T360-S363 PolarHBondContact O-OG 2.87Å; T360-S363 PolarHBondContact OG1-N 3.43Å; T360-S363 PolarHBondContact OG1-OG 3.42Å
361	S	79.9	Confident	91.3	Very high	120 Å²	120	72.9 Å²	72.9	84%	0.839	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.6	-179.7	58.3	0	0	0	0	113.7
362	N	84.6	Confident	91.6	Very high	142 Å²	142	69.7 Å²	69.7	76%	0.759	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	9.2	-178.2	-63.9	11.4	0	0	0	112.4	T360 Q364	T360-N362 PolarHBondContact O-N 2.82Å; T360-N362 VanDerWaalsContact O-N 3.16Å; N362-Q364 PolarHBondContact O-N 2.78Å
363	S	88.1	Confident	91.8	Very high	26 Å²	26	62 Å²	62	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.7	128.2	176.8	-70.8	0	0	0	0	110.3	Y346 P359 T360	Y346-S363 WeakPolarHBondContact CE1-O 3.48Å; P359-S363 WeakPolarHBondContact CG-OG 3.43Å; T360-S363 PolarHBondContact N-OG 2.77Å; T360-S363 VanDerWaalsContact N-OG 3.13Å; T360-S363 WeakPolarHBondContact O-CB 3.38Å; T360-S363 PolarHBondContact O-N 3.08Å; T360-S363 VanDerWaalsContact O-N 3.12Å; T360-S363 PolarHBondContact O-OG 2.87Å; T360-S363 PolarHBondContact OG1-N 3.43Å; T360-S363 PolarHBondContact OG1-OG 3.42Å
364	Q	92.1	Very high	92	Very high	55 Å²	55	56.6 Å²	56.6	26%	0.257	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-82.3	163.3	175.1	-62.9	177.7	-0	0	0	111.1	Y346 N362 V368 E373	Y346-Q364 WeakPolarHBondContact CD1-O 3.43Å; N362-Q364 PolarHBondContact O-N 2.78Å; Q364-V368 HydrophobicContact CB-CB 4.18Å; Q364-V368 HydrophobicContact CB-CG1 4.24Å; Q364-V368 HydrophobicContact CG-CG1 4.4Å; Q364-V368 VanDerWaalsContact OE1-CG1 3.32Å; Q364-E373 VanDerWaalsContact CD-OE1 3.22Å; Q364-E373 PolarHBondContact NE2-OE1 2.92Å; Q364-E373 VanDerWaalsContact OE1-CD 3.22Å; Q364-E373 PolarHBondContact OE1-OE1 3.15Å
365	R	94.8	Very high	92	Very high	35 Å²	35	54.6 Å²	54.6	13%	0.132	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-69.2	155.5	174.2	-71.5	79.3	171.8	-175.6	-1.9	109.7	Y273 Y274 D344 I345 Y346 F367 V368 E369	Y273-R365 HydrophobicContact CE1-CG 4.41Å; Y274-R365 VanDerWaalsContact OH-CZ 3.23Å; Y274-R365 PolarHBondContact OH-NH1 2.98Å; Y274-R365 PolarHBondContact OH-NH2 2.79Å; D344-R365 IonicContact OD1-CZ 3.29Å; D344-R365 IonicContact OD1-NE 3.99Å; D344-R365 PolarHBondContact OD1-NE 3.27Å; D344-R365 IonicContact OD1-NH2 3.91Å; I345-R365 CarbonylContact O-C 3.6Å; I345-R365 VanDerWaalsContact O-CA 3.3Å; I345-R365 WeakPolarHBondContact O-CA 3.42Å; Y346-R365 HydrophobicContact CE1-CG 4.09Å; Y346-R365 PolarHBondContact OH-NE 3.48Å; R365-F367 VanDerWaalsContact C-N 3.26Å; R365-F367 PolarHBondContact O-N 2.77Å; R365-V368 HydrophobicContact CB-CG2 4.22Å; R365-V368 PolarHBondContact O-N 3.06Å; R365-E369 PolarHBondContact O-N 3.01Å
366	S	95.7	Very high	92.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.6	-41.3	176.6	53.4	0	0	0	0	112.4	R340 L341 I345 V368 F370	R340-S366 WeakPolarHBondContact O-CB 3.16Å; R340-S366 PolarHBondContact O-OG 2.79Å; L341-S366 PolarHBondContact O-OG 2.76Å; I345-S366 PolarHBondContact O-N 3.37Å; I345-S366 PolarHBondContact O-OG 2.85Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 2.79Å; S366-F370 WeakPolarHBondContact O-CB 3.38Å; S366-F370 WeakPolarHBondContact O-CD2 3.46Å; S366-F370 PolarHBondContact O-N 3.42Å
367	F	97	Very high	92.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-41.9	175.8	-165.1	-106.5	0	0	0	112.4	Y273 L276 F307 L318 L341 W342 R365 V371 L372	Y273-F367 HydrophobicContact CD2-CB 4.06Å; Y273-F367 AromaticContact CD2-CD1 3.49Å; Y273-F367 HydrophobicContact CD2-CD1 3.49Å; Y273-F367 VanDerWaalsContact CD2-CD1 3.49Å; Y273-F367 HydrophobicContact CD2-CE1 4.25Å; Y273-F367 HydrophobicContact CD2-CG 4.05Å; Y273-F367 HydrophobicContact CE2-CB 4.1Å; Y273-F367 HydrophobicContact CE2-CD1 4.17Å; Y273-F367 HydrophobicContact CE2-CG 4.32Å; Y273-F367 HydrophobicContact CG-CD1 4.39Å; L276-F367 HydrophobicContact CD1-CE1 3.99Å; L276-F367 HydrophobicContact CD1-CZ 4.49Å; F307-F367 HydrophobicContact CD2-CE2 4.39Å; F307-F367 HydrophobicContact CD2-CZ 4.14Å; F307-F367 HydrophobicContact CE1-CZ 4.36Å; F307-F367 AromaticContact CE2-CE2 3.87Å; F307-F367 HydrophobicContact CE2-CE2 3.87Å; F307-F367 AromaticContact CE2-CZ 3.77Å; F307-F367 HydrophobicContact CE2-CZ 3.77Å; F307-F367 HydrophobicContact CZ-CE2 4.3Å; F307-F367 AromaticContact CZ-CZ 3.9Å; F307-F367 HydrophobicContact CZ-CZ 3.9Å; L318-F367 HydrophobicContact CD2-CD2 3.79Å; L318-F367 HydrophobicContact CD2-CE2 3.61Å; L341-F367 WeakPolarHBondContact O-CA 3.16Å; L341-F367 WeakPolarHBondContact O-CB 3.35Å; L341-F367 WeakPolarHBondContact O-CD2 3.29Å; L341-F367 PolarHBondContact O-N 2.87Å; W342-F367 HydrophobicContact CE3-CB 4.34Å; W342-F367 HydrophobicContact CE3-CD1 4.08Å; W342-F367 AromaticContact CE3-CD2 3.59Å; W342-F367 HydrophobicContact CE3-CD2 3.59Å; W342-F367 HydrophobicContact CE3-CE1 4.24Å; W342-F367 AromaticContact CE3-CE2 3.78Å; W342-F367 HydrophobicContact CE3-CE2 3.78Å; W342-F367 AromaticContact CE3-CG 3.72Å; W342-F367 HydrophobicContact CE3-CG 3.72Å; W342-F367 HydrophobicContact CE3-CZ 4.09Å; W342-F367 AromaticContact CZ3-CD1 3.87Å; W342-F367 HydrophobicContact CZ3-CD1 3.87Å; W342-F367 HydrophobicContact CZ3-CD2 4.11Å; W342-F367 AromaticContact CZ3-CE1 3.76Å; W342-F367 HydrophobicContact CZ3-CE1 3.76Å; W342-F367 HydrophobicContact CZ3-CE2 4.01Å; W342-F367 HydrophobicContact CZ3-CG 4.02Å; W342-F367 AromaticContact CZ3-CZ 3.82Å; W342-F367 HydrophobicContact CZ3-CZ 3.82Å; R365-F367 VanDerWaalsContact C-N 3.26Å; R365-F367 PolarHBondContact O-N 2.77Å; F367-V371 HydrophobicContact CD2-CB 4.03Å; F367-V371 HydrophobicContact CD2-CG1 4.43Å; F367-V371 HydrophobicContact CD2-CG2 3.9Å; F367-V371 HydrophobicContact CE2-CB 3.99Å; F367-V371 HydrophobicContact CE2-CG1 3.88Å; F367-V371 HydrophobicContact CE2-CG2 4.06Å; F367-V371 HydrophobicContact CG-CB 4.43Å; F367-V371 HydrophobicContact CZ-CB 4.35Å; F367-V371 HydrophobicContact CZ-CG1 4Å; F367-V371 WeakPolarHBondContact O-CA 3.37Å; F367-V371 WeakPolarHBondContact O-CB 3.48Å; F367-V371 PolarHBondContact O-N 3.48Å; F367-L372 HydrophobicContact CD1-CD1 3.84Å; F367-L372 HydrophobicContact CD1-CG 3.78Å; F367-L372 HydrophobicContact CE1-CD1 3.81Å; F367-L372 HydrophobicContact CE1-CD2 3.83Å; F367-L372 HydrophobicContact CE1-CG 3.57Å; F367-L372 PolarHBondContact O-N 3.08Å
368	V	96.8	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-70	-49	-177.5	-176.2	0	0	0	0	109.5	P269 Y273 Q364 R365 S366 L372 E373	P269-V368 HydrophobicContact CB-CG1 3.64Å; Y273-V368 HydrophobicContact CD1-CG2 4.36Å; Y273-V368 HydrophobicContact CG-CG2 4.01Å; Q364-V368 HydrophobicContact CB-CB 4.18Å; Q364-V368 HydrophobicContact CB-CG1 4.24Å; Q364-V368 HydrophobicContact CG-CG1 4.4Å; Q364-V368 VanDerWaalsContact OE1-CG1 3.32Å; R365-V368 HydrophobicContact CB-CG2 4.22Å; R365-V368 PolarHBondContact O-N 3.06Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 2.79Å; V368-L372 PolarHBondContact O-N 2.81Å; V368-E373 HydrophobicContact CG1-CG 4.49Å; V368-E373 WeakPolarHBondContact O-CB 3.49Å; V368-E373 WeakPolarHBondContact O-CG 3.49Å; V368-E373 PolarHBondContact O-N 3.14Å
369	E	95.6	Very high	92.7	Very high	62 Å²	62	40.5 Å²	40.5	29%	0.29	22%	0.218	S	C	.	.	I	π-helix	trans	-68.7	-40.9	-176.4	-173.3	177.3	179.6	0	0	113	R365 P374	R365-E369 PolarHBondContact O-N 3.01Å; E369-P374 WeakPolarHBondContact O-CD 3.27Å
370	F	96.1	Very high	92.9	Very high	33 Å²	33	41.3 Å²	41.3	15%	0.145	23%	0.225	C	C	.	.	I	π-helix	trans	-101.3	-14.1	-173.3	-69.9	-90.2	0	0	0	114.6	F321 Y325 F337 L341 F347 F354 S366	F321-F370 WeakPolarHBondContact CE1-O 3.49Å; Y325-F370 HydrophobicContact CE1-CD1 4.44Å; Y325-F370 HydrophobicContact CE2-CB 4.35Å; Y325-F370 WeakPolarHBondContact CE2-O 3.37Å; Y325-F370 PolarHBondContact OH-O 2.87Å; F337-F370 AromaticContact CZ-CD1 3.83Å; F337-F370 HydrophobicContact CZ-CD1 3.83Å; F337-F370 HydrophobicContact CZ-CE1 4.23Å; F337-F370 HydrophobicContact CZ-CG 4.21Å; L341-F370 HydrophobicContact CD2-CB 3.88Å; L341-F370 HydrophobicContact CD2-CG 4.39Å; F347-F370 HydrophobicContact CB-CE2 3.58Å; F347-F370 HydrophobicContact CB-CZ 4.2Å; F347-F370 AromaticContact CD1-CE2 3.91Å; F347-F370 HydrophobicContact CD1-CE2 3.91Å; F347-F370 AromaticContact CD1-CZ 3.69Å; F347-F370 HydrophobicContact CD1-CZ 3.69Å; F347-F370 HydrophobicContact CD2-CE2 4.27Å; F347-F370 HydrophobicContact CD2-CZ 4.14Å; F347-F370 HydrophobicContact CE1-CZ 4.03Å; F347-F370 HydrophobicContact CE2-CZ 4.44Å; F347-F370 AromaticContact CG-CE2 3.68Å; F347-F370 HydrophobicContact CG-CE2 3.68Å; F347-F370 AromaticContact CG-CZ 3.75Å; F347-F370 HydrophobicContact CG-CZ 3.75Å; F347-F370 HydrophobicContact CZ-CZ 4.39Å; F354-F370 HydrophobicContact CE1-CE2 4.49Å; S366-F370 WeakPolarHBondContact O-CB 3.38Å; S366-F370 WeakPolarHBondContact O-CD2 3.46Å; S366-F370 PolarHBondContact O-N 3.42Å
371	V	96.6	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-120.8	-60	-178.2	-175	0	0	0	0	110.9	F316 F321 F367 P374 L375	F316-V371 HydrophobicContact CD2-CG1 4.29Å; F316-V371 HydrophobicContact CE2-CG1 3.42Å; F316-V371 VanDerWaalsContact CE2-CG1 3.42Å; F316-V371 HydrophobicContact CZ-CG1 3.69Å; F321-V371 HydrophobicContact CD1-CG2 4.09Å; F321-V371 HydrophobicContact CD2-CG1 4.01Å; F321-V371 HydrophobicContact CE1-CG2 4.34Å; F321-V371 HydrophobicContact CE2-CG1 3.95Å; F321-V371 HydrophobicContact CG-CG1 4.3Å; F321-V371 HydrophobicContact CG-CG2 4.38Å; F321-V371 HydrophobicContact CZ-CG1 4.22Å; F367-V371 HydrophobicContact CD2-CB 4.03Å; F367-V371 HydrophobicContact CD2-CG1 4.43Å; F367-V371 HydrophobicContact CD2-CG2 3.9Å; F367-V371 HydrophobicContact CE2-CB 3.99Å; F367-V371 HydrophobicContact CE2-CG1 3.88Å; F367-V371 HydrophobicContact CE2-CG2 4.06Å; F367-V371 HydrophobicContact CG-CB 4.43Å; F367-V371 HydrophobicContact CZ-CB 4.35Å; F367-V371 HydrophobicContact CZ-CG1 4Å; F367-V371 WeakPolarHBondContact O-CA 3.37Å; F367-V371 WeakPolarHBondContact O-CB 3.48Å; F367-V371 PolarHBondContact O-N 3.48Å; V371-P374 WeakPolarHBondContact O-CD 3.13Å; V371-L375 VanDerWaalsContact O-CB 3.32Å; V371-L375 WeakPolarHBondContact O-CB 3.44Å; V371-L375 PolarHBondContact O-N 3.46Å
372	L	96.4	Very high	93.7	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.168	C	C	.	.	I	π-helix	trans	-71.3	-45	-175.1	-65.9	-179.6	0	0	0	112.8	P269 A272 L276 F367 V368 L375 Y376	P269-L372 HydrophobicContact CB-CB 4.21Å; P269-L372 WeakPolarHBondContact O-CD1 3.34Å; A272-L372 HydrophobicContact CB-CD1 4.46Å; L276-L372 HydrophobicContact CD1-CD2 4.29Å; F367-L372 HydrophobicContact CD1-CD1 3.84Å; F367-L372 HydrophobicContact CD1-CG 3.78Å; F367-L372 HydrophobicContact CE1-CD1 3.81Å; F367-L372 HydrophobicContact CE1-CD2 3.83Å; F367-L372 HydrophobicContact CE1-CG 3.57Å; F367-L372 PolarHBondContact O-N 3.08Å; V368-L372 PolarHBondContact O-N 2.81Å; L372-L375 PolarHBondContact O-N 3.36Å; L372-Y376 HydrophobicContact CB-CD2 4.29Å; L372-Y376 HydrophobicContact CB-CE2 4.31Å; L372-Y376 HydrophobicContact CD2-CE2 4.45Å; L372-Y376 WeakPolarHBondContact O-CB 3.35Å; L372-Y376 WeakPolarHBondContact O-CD2 3.28Å; L372-Y376 PolarHBondContact O-N 3.37Å
373	E	95.6	Very high	94	Very high	49 Å²	49	29.5 Å²	29.5	23%	0.229	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-46.6	179.6	-80.2	-161.1	163.2	0	0	113	Q364 V368 Y376 K377	Q364-E373 VanDerWaalsContact CD-OE1 3.22Å; Q364-E373 PolarHBondContact NE2-OE1 2.92Å; Q364-E373 VanDerWaalsContact OE1-CD 3.22Å; Q364-E373 PolarHBondContact OE1-OE1 3.15Å; V368-E373 HydrophobicContact CG1-CG 4.49Å; V368-E373 WeakPolarHBondContact O-CB 3.49Å; V368-E373 WeakPolarHBondContact O-CG 3.49Å; V368-E373 PolarHBondContact O-N 3.14Å; E373-Y376 PolarHBondContact O-N 3.45Å; E373-K377 WeakPolarHBondContact O-CB 3.47Å; E373-K377 VanDerWaalsContact O-CG 3.27Å; E373-K377 WeakPolarHBondContact O-CG 3.47Å; E373-K377 PolarHBondContact O-N 3.4Å; E373-K377 IonicContact OE2-NZ 3.22Å
374	P	95.2	Very high	93.9	Very high	29 Å²	29	31 Å²	31	19%	0.188	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-45.4	172.1	-26.7	35.5	0	0	0	112.8	E369 V371 Y376 K377 I378	E369-P374 WeakPolarHBondContact O-CD 3.27Å; V371-P374 WeakPolarHBondContact O-CD 3.13Å; P374-Y376 PolarHBondContact O-N 3.47Å; P374-K377 PolarHBondContact O-N 2.91Å; P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.33Å
375	L	95	Very high	93.4	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-45.9	178.4	179	60.4	0	0	0	111.8	V258 I262 F316 V371 L372 K377 I378 L379 F422	V258-L375 HydrophobicContact CG2-CD2 4.38Å; I262-L375 HydrophobicContact CD1-CD2 3.97Å; I262-L375 HydrophobicContact CD1-CG 3.92Å; F316-L375 HydrophobicContact CE1-CD2 4.28Å; F316-L375 HydrophobicContact CZ-CD2 4.43Å; V371-L375 VanDerWaalsContact O-CB 3.32Å; V371-L375 WeakPolarHBondContact O-CB 3.44Å; V371-L375 PolarHBondContact O-N 3.46Å; L372-L375 PolarHBondContact O-N 3.36Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 3.04Å; L375-I378 PolarHBondContact O-N 3.03Å; L375-L379 HydrophobicContact CD1-CD1 3.71Å; L375-L379 HydrophobicContact CG-CD1 3.83Å; L375-L379 WeakPolarHBondContact O-CD1 3.3Å; L375-L379 PolarHBondContact O-N 2.93Å; L375-F422 HydrophobicContact CD1-CE2 4.25Å; L375-F422 HydrophobicContact CD1-CZ 4.02Å
376	Y	95.4	Very high	92.6	Very high	29 Å²	29	31.4 Å²	31.4	11%	0.114	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-40.7	176.1	-89.3	-116.8	0	0	0	111.8	I262 L267 P269 A272 L372 E373 P374 S380	I262-Y376 HydrophobicContact CB-CE1 4.32Å; I262-Y376 HydrophobicContact CB-CE2 4.38Å; I262-Y376 HydrophobicContact CD1-CD2 3.54Å; I262-Y376 HydrophobicContact CD1-CE2 3.47Å; I262-Y376 VanDerWaalsContact CD1-CE2 3.47Å; I262-Y376 HydrophobicContact CD1-CG 4.32Å; I262-Y376 HydrophobicContact CG1-CD2 3.89Å; I262-Y376 HydrophobicContact CG1-CE1 4.17Å; I262-Y376 HydrophobicContact CG1-CE2 3.42Å; I262-Y376 VanDerWaalsContact CG1-CE2 3.42Å; I262-Y376 HydrophobicContact CG1-CG 4.5Å; I262-Y376 HydrophobicContact CG2-CD1 3.79Å; I262-Y376 HydrophobicContact CG2-CD2 4.21Å; I262-Y376 HydrophobicContact CG2-CE1 3.88Å; I262-Y376 HydrophobicContact CG2-CE2 4.35Å; I262-Y376 HydrophobicContact CG2-CG 3.97Å; L267-Y376 WeakPolarHBondContact O-CE1 3.23Å; L267-Y376 PolarHBondContact O-OH 3.04Å; L267-Y376 VanDerWaalsContact O-OH 3.05Å; P269-Y376 HydrophobicContact CB-CE2 4.46Å; P269-Y376 HydrophobicContact CG-CD1 3.79Å; P269-Y376 HydrophobicContact CG-CD2 4.33Å; P269-Y376 HydrophobicContact CG-CE1 3.93Å; P269-Y376 HydrophobicContact CG-CE2 4.41Å; P269-Y376 HydrophobicContact CG-CG 4Å; A272-Y376 WeakPolarHBondContact CB-OH 3.34Å; L372-Y376 HydrophobicContact CB-CD2 4.29Å; L372-Y376 HydrophobicContact CB-CE2 4.31Å; L372-Y376 HydrophobicContact CD2-CE2 4.45Å; L372-Y376 WeakPolarHBondContact O-CB 3.35Å; L372-Y376 WeakPolarHBondContact O-CD2 3.28Å; L372-Y376 PolarHBondContact O-N 3.37Å; E373-Y376 PolarHBondContact O-N 3.45Å; P374-Y376 PolarHBondContact O-N 3.47Å; Y376-S380 VanDerWaalsContact O-CB 3.25Å; Y376-S380 WeakPolarHBondContact O-CB 3.42Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 2.84Å
377	K	93.6	Very high	91.7	Very high	121 Å²	121	38.8 Å²	38.8	53%	0.526	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-45.3	176.2	-75.6	169.3	-174.6	165.3	0	111	E373 P374 L375 S380 Q381	E373-K377 WeakPolarHBondContact O-CB 3.47Å; E373-K377 VanDerWaalsContact O-CG 3.27Å; E373-K377 WeakPolarHBondContact O-CG 3.47Å; E373-K377 PolarHBondContact O-N 3.4Å; E373-K377 IonicContact OE2-NZ 3.22Å; P374-K377 PolarHBondContact O-N 2.91Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 3.04Å; K377-S380 PolarHBondContact O-OG 3.29Å; K377-Q381 WeakPolarHBondContact O-CB 3.21Å; K377-Q381 WeakPolarHBondContact O-CG 3.35Å; K377-Q381 PolarHBondContact O-N 2.9Å
378	I	93	Very high	91.1	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	25%	0.25	C	C	.	.	H	α-helix	trans	-58.7	-52.7	176.9	-67.3	165.6	0	0	0	110.2	P374 L375 V382 L397 V417 F421	P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.33Å; L375-I378 PolarHBondContact O-N 3.03Å; I378-V382 WeakPolarHBondContact O-CG2 3.22Å; I378-V382 PolarHBondContact O-N 2.86Å; I378-L397 HydrophobicContact CD1-CD1 4.09Å; I378-L397 HydrophobicContact CG1-CD1 3.79Å; I378-V417 HydrophobicContact CG2-CG1 3.96Å; I378-F421 HydrophobicContact CD1-CD1 3.75Å; I378-F421 HydrophobicContact CD1-CD2 4.38Å; I378-F421 HydrophobicContact CD1-CE1 3.68Å; I378-F421 HydrophobicContact CD1-CE2 4.33Å; I378-F421 HydrophobicContact CD1-CG 4.1Å; I378-F421 HydrophobicContact CD1-CZ 3.98Å
379	L	93	Very high	90.7	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-46.6	-178.1	-79.3	147.8	0	0	0	112.6	I262 V263 Y312 L375 V382 V383 L414	I262-L379 HydrophobicContact CB-CD1 4.32Å; I262-L379 HydrophobicContact CD1-CD1 3.35Å; I262-L379 HydrophobicContact CG1-CD1 4.33Å; I262-L379 HydrophobicContact CG2-CB 4.15Å; I262-L379 HydrophobicContact CG2-CD1 4.13Å; V263-L379 HydrophobicContact CG2-CD2 4.16Å; Y312-L379 HydrophobicContact CD2-CD2 4.47Å; L375-L379 HydrophobicContact CD1-CD1 3.71Å; L375-L379 HydrophobicContact CG-CD1 3.83Å; L375-L379 WeakPolarHBondContact O-CD1 3.3Å; L375-L379 PolarHBondContact O-N 2.93Å; L379-V382 PolarHBondContact O-N 2.83Å; L379-V383 WeakPolarHBondContact O-CB 3.25Å; L379-V383 VanDerWaalsContact O-CG2 3.24Å; L379-V383 WeakPolarHBondContact O-CG2 3.41Å; L379-V383 PolarHBondContact O-N 3.35Å; L379-L414 HydrophobicContact CD2-CD1 4.11Å; L379-L414 HydrophobicContact CD2-CD2 3.73Å; L379-L414 HydrophobicContact CG-CD2 4.32Å
380	S	91.4	Very high	90.4	Very high	62 Å²	62	43 Å²	43	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-68.5	-35.1	-178.9	56.1	0	0	0	0	113.2	Y376 K377 V383 G384	Y376-S380 VanDerWaalsContact O-CB 3.25Å; Y376-S380 WeakPolarHBondContact O-CB 3.42Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 2.84Å; K377-S380 PolarHBondContact O-OG 3.29Å; S380-V383 PolarHBondContact O-N 3.39Å; S380-G384 WeakPolarHBondContact O-CA 3.19Å; S380-G384 PolarHBondContact O-N 3.24Å
381	Q	91.2	Very high	90.1	Very high	37 Å²	37	44.1 Å²	44.1	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-39.3	176.7	-75.2	-67.2	-60.8	0	0	112.1	K377 D385 C386 S389 L390 V393	K377-Q381 WeakPolarHBondContact O-CB 3.21Å; K377-Q381 WeakPolarHBondContact O-CG 3.35Å; K377-Q381 PolarHBondContact O-N 2.9Å; Q381-D385 PolarHBondContact NE2-OD2 2.83Å; Q381-D385 CarbonylContact O-C 3.6Å; Q381-D385 VanDerWaalsContact O-C 3.25Å; Q381-D385 WeakPolarHBondContact O-CA 3.09Å; Q381-D385 PolarHBondContact O-N 3.31Å; Q381-C386 PolarHBondContact O-N 2.82Å; Q381-S389 PolarHBondContact OE1-OG 3.02Å; Q381-L390 HydrophobicContact CB-CD1 4.4Å; Q381-V393 HydrophobicContact CG-CG2 4.17Å
382	V	91.7	Very high	89.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.3	-40	176.3	-179.6	0	0	0	0	111.5	I378 L379 L390 L413 L414 V417	I378-V382 WeakPolarHBondContact O-CG2 3.22Å; I378-V382 PolarHBondContact O-N 2.86Å; L379-V382 PolarHBondContact O-N 2.83Å; V382-L390 HydrophobicContact CG2-CD1 3.61Å; V382-L390 HydrophobicContact CG2-CD2 4.26Å; V382-L413 HydrophobicContact CG1-CB 4.34Å; V382-L413 HydrophobicContact CG1-CD2 3.96Å; V382-L413 HydrophobicContact CG1-CG 3.91Å; V382-L414 HydrophobicContact CB-CD2 3.52Å; V382-L414 HydrophobicContact CB-CG 4.02Å; V382-L414 HydrophobicContact CG1-CB 4.39Å; V382-L414 HydrophobicContact CG1-CD2 3.68Å; V382-L414 HydrophobicContact CG1-CG 3.61Å; V382-L414 HydrophobicContact CG2-CD2 3.97Å; V382-V417 HydrophobicContact CG2-CB 4.42Å; V382-V417 HydrophobicContact CG2-CG1 4.28Å; V382-V417 HydrophobicContact CG2-CG2 4.14Å
383	V	89.7	Confident	89.5	Confident	61 Å²	61	53.5 Å²	53.5	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-75.7	-36.1	-178.3	176.7	0	0	0	0	112.7	L379 S380 I410 L414	L379-V383 WeakPolarHBondContact O-CB 3.25Å; L379-V383 VanDerWaalsContact O-CG2 3.24Å; L379-V383 WeakPolarHBondContact O-CG2 3.41Å; L379-V383 PolarHBondContact O-N 3.35Å; S380-V383 PolarHBondContact O-N 3.39Å; V383-I410 HydrophobicContact CB-CG2 4.32Å; V383-I410 HydrophobicContact CG2-CG2 3.84Å; V383-L414 HydrophobicContact CG2-CD1 3.77Å; V383-L414 HydrophobicContact CG2-CG 4.47Å
384	G	86.2	Confident	89.3	Confident	58 Å²	58	51.4 Å²	51.4	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-102.8	-41.4	-172.3	0	0	0	0	0	115.3	S380	S380-G384 WeakPolarHBondContact O-CA 3.19Å; S380-G384 PolarHBondContact O-N 3.24Å
385	D	81.8	Confident	89.1	Confident	69 Å²	69	55.6 Å²	55.6	37%	0.369	31%	0.309	S	S	.	.			trans	-124.6	32.4	-165	-64.1	-43.1	0	0	0	113.2	Q381 D387 T388 S389 L390	Q381-D385 PolarHBondContact NE2-OD2 2.83Å; Q381-D385 CarbonylContact O-C 3.6Å; Q381-D385 VanDerWaalsContact O-C 3.25Å; Q381-D385 WeakPolarHBondContact O-CA 3.09Å; Q381-D385 PolarHBondContact O-N 3.31Å; D385-D387 VanDerWaalsContact C-N 3.26Å; D385-D387 PolarHBondContact O-N 3Å; D385-T388 PolarHBondContact O-N 3.4Å; D385-S389 WeakPolarHBondContact CB-OG 3.29Å; D385-S389 PolarHBondContact O-N 3.23Å; D385-L390 PolarHBondContact O-N 3.34Å
386	C	78.3	Confident	89	Confident	28 Å²	28	61.6 Å²	61.6	19%	0.189	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.9	-175.7	-173.8	0	0	0	0	113.7	Q381 L390 L413	Q381-C386 PolarHBondContact O-N 2.82Å; C386-L390 HydrophobicContact CB-CD2 4.28Å; C386-L390 WeakPolarHBondContact O-CB 3.49Å; C386-L413 WeakPolarHBondContact SG-CD2 3.27Å
387	D	76.6	Confident	88.8	Confident	155 Å²	155	62.9 Å²	62.9	83%	0.829	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.4	-174.5	-62.8	-34.6	0	0	0	114.1	D385	D385-D387 VanDerWaalsContact C-N 3.26Å; D385-D387 PolarHBondContact O-N 3Å
388	T	83.5	Confident	88.7	Confident	112 Å²	112	60.4 Å²	60.4	69%	0.687	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-63.3	-167.5	61.5	0	0	0	0	113	D385	D385-T388 PolarHBondContact O-N 3.4Å
389	S	89	Confident	88.8	Confident	35 Å²	35	60.5 Å²	60.5	25%	0.245	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-13.3	-173.3	47.6	0	0	0	0	114.4	Q381 D385 R392 V393	Q381-S389 PolarHBondContact OE1-OG 3.02Å; D385-S389 WeakPolarHBondContact CB-OG 3.29Å; D385-S389 PolarHBondContact O-N 3.23Å; S389-R392 WeakPolarHBondContact O-CB 3.35Å; S389-R392 PolarHBondContact O-N 3.35Å; S389-R392 VanDerWaalsContact O-N 3.15Å; S389-V393 PolarHBondContact O-N 2.63Å; S389-V393 VanDerWaalsContact O-N 3.13Å
390	L	89.3	Confident	88.8	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-54.9	-46.5	-177.7	-180	64.6	0	0	0	113.7	Q381 V382 D385 C386 R392 V393 L394 L413	Q381-L390 HydrophobicContact CB-CD1 4.4Å; V382-L390 HydrophobicContact CG2-CD1 3.61Å; V382-L390 HydrophobicContact CG2-CD2 4.26Å; D385-L390 PolarHBondContact O-N 3.34Å; C386-L390 HydrophobicContact CB-CD2 4.28Å; C386-L390 WeakPolarHBondContact O-CB 3.49Å; L390-R392 VanDerWaalsContact C-N 3.26Å; L390-R392 PolarHBondContact O-N 2.95Å; L390-V393 PolarHBondContact O-N 2.69Å; L390-V393 VanDerWaalsContact O-N 3.09Å; L390-L394 HydrophobicContact CD1-CD1 4.15Å; L390-L394 HydrophobicContact CD1-CD2 4.22Å; L390-L394 HydrophobicContact CD1-CG 3.94Å; L390-L394 HydrophobicContact CD2-CD1 4.37Å; L390-L394 HydrophobicContact CG-CD1 3.82Å; L390-L394 HydrophobicContact CG-CG 4.1Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 2.8Å; L390-L413 HydrophobicContact CD2-CD2 4.04Å
391	P	89.4	Confident	88.8	Confident	57 Å²	57	65 Å²	65	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-38.2	179.5	-25.6	35.5	0	0	0	113.2	L394 D395	P391-L394 PolarHBondContact O-N 3Å; P391-D395 PolarHBondContact O-N 3.35Å
392	R	90.3	Very high	88.9	Confident	172 Å²	172	66.9 Å²	66.9	65%	0.649	38%	0.383	S	S	*	.	H	α-helix	trans	-66.4	-42	177.1	177.2	-176.5	167.3	173.9	0.6	111.6	S389 L390 L394 D395 E396	S389-R392 WeakPolarHBondContact O-CB 3.35Å; S389-R392 PolarHBondContact O-N 3.35Å; S389-R392 VanDerWaalsContact O-N 3.15Å; L390-R392 VanDerWaalsContact C-N 3.26Å; L390-R392 PolarHBondContact O-N 2.95Å; R392-L394 VanDerWaalsContact C-N 3.34Å; R392-D395 PolarHBondContact O-N 2.68Å; R392-E396 IonicContact CZ-OE1 3.98Å; R392-E396 IonicContact NE-OE1 3.63Å; R392-E396 PolarHBondContact NE-OE1 2.83Å; R392-E396 IonicContact NH2-OE1 3.75Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.39Å
393	V	90.1	Very high	88.7	Confident	31 Å²	31	75.3 Å²	75.3	19%	0.188	42%	0.42	C	S	.	.	H	α-helix	trans	-66.9	-39.3	177.6	176.3	0	0	0	0	110.4	Q381 S389 L390 D395 E396 L397	Q381-V393 HydrophobicContact CG-CG2 4.17Å; S389-V393 PolarHBondContact O-N 2.63Å; S389-V393 VanDerWaalsContact O-N 3.13Å; L390-V393 PolarHBondContact O-N 2.69Å; L390-V393 VanDerWaalsContact O-N 3.09Å; V393-D395 VanDerWaalsContact C-N 3.34Å; V393-D395 PolarHBondContact O-N 3.26Å; V393-E396 PolarHBondContact O-N 2.9Å; V393-L397 HydrophobicContact CG1-CD1 4.02Å; V393-L397 VanDerWaalsContact O-CG 3.29Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 3.12Å
394	L	91.5	Very high	88.8	Confident	6 Å²	6	80 Å²	80	3%	0.031	44%	0.437	C	S	.	.	H	α-helix	trans	-62.7	-41.1	175	-66	171.8	0	0	0	111.6	L390 P391 R392 E396 L397 G398 I399 L401 L406 V417	L390-L394 HydrophobicContact CD1-CD1 4.15Å; L390-L394 HydrophobicContact CD1-CD2 4.22Å; L390-L394 HydrophobicContact CD1-CG 3.94Å; L390-L394 HydrophobicContact CD2-CD1 4.37Å; L390-L394 HydrophobicContact CG-CD1 3.82Å; L390-L394 HydrophobicContact CG-CG 4.1Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 2.8Å; P391-L394 PolarHBondContact O-N 3Å; R392-L394 VanDerWaalsContact C-N 3.34Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 3.31Å; L394-L397 CarbonylContact O-C 3.25Å; L394-L397 PolarHBondContact O-N 2.92Å; L394-L397 VanDerWaalsContact O-N 3.14Å; L394-G398 PolarHBondContact O-N 3.31Å; L394-I399 CarbonylContact C-O 3.41Å; L394-I399 HydrophobicContact CB-CB 4.24Å; L394-I399 WeakPolarHBondContact CB-O 3.24Å; L394-I399 HydrophobicContact CD2-CB 3.96Å; L394-I399 HydrophobicContact CD2-CD1 4.07Å; L394-I399 HydrophobicContact CD2-CG2 3.87Å; L394-I399 PolarHBondContact O-N 3.07Å; L394-L401 HydrophobicContact CD1-CD1 3.76Å; L394-L401 HydrophobicContact CD1-CG 4.16Å; L394-L406 HydrophobicContact CD1-CD2 4.3Å; L394-V417 HydrophobicContact CD2-CG1 3.77Å; L394-V417 HydrophobicContact CD2-CG2 3.96Å
395	D	91.8	Very high	89	Confident	117 Å²	117	79 Å²	79	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-40.6	173.2	-73.8	-23.7	0	0	0	112	P391 R392 V393 L397 G398	P391-D395 PolarHBondContact O-N 3.35Å; R392-D395 PolarHBondContact O-N 2.68Å; V393-D395 VanDerWaalsContact C-N 3.34Å; V393-D395 PolarHBondContact O-N 3.26Å; D395-L397 PolarHBondContact O-N 2.85Å; D395-G398 PolarHBondContact O-N 2.63Å
396	E	92	Very high	89.4	Confident	128 Å²	128	78.3 Å²	78.3	60%	0.598	41%	0.413	S	S	*	.	H	α-helix	trans	-64	-28.9	175.3	-73.2	177.1	-163.8	0	0	112.6	R392 V393 L394	R392-E396 IonicContact CZ-OE1 3.98Å; R392-E396 IonicContact NE-OE1 3.63Å; R392-E396 PolarHBondContact NE-OE1 2.83Å; R392-E396 IonicContact NH2-OE1 3.75Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.39Å; V393-E396 PolarHBondContact O-N 2.9Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 3.31Å
397	L	91.8	Very high	89.9	Confident	56 Å²	56	85.3 Å²	85.3	29%	0.293	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.3	177.6	-61.2	171.5	0	0	0	113.3	I378 V393 L394 D395 I399 F421	I378-L397 HydrophobicContact CD1-CD1 4.09Å; I378-L397 HydrophobicContact CG1-CD1 3.79Å; V393-L397 HydrophobicContact CG1-CD1 4.02Å; V393-L397 VanDerWaalsContact O-CG 3.29Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 3.12Å; L394-L397 CarbonylContact O-C 3.25Å; L394-L397 PolarHBondContact O-N 2.92Å; L394-L397 VanDerWaalsContact O-N 3.14Å; D395-L397 PolarHBondContact O-N 2.85Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 HydrophobicContact CB-CD1 3.88Å; L397-I399 HydrophobicContact CB-CG1 4.1Å; L397-I399 HydrophobicContact CD1-CD1 4.23Å; L397-I399 PolarHBondContact O-N 2.81Å; L397-F421 HydrophobicContact CB-CD2 4.3Å; L397-F421 HydrophobicContact CB-CE2 4.47Å; L397-F421 HydrophobicContact CD1-CD2 4.46Å; L397-F421 HydrophobicContact CD2-CD2 4.3Å; L397-F421 HydrophobicContact CD2-CE2 3.76Å; L397-F421 HydrophobicContact CD2-CZ 4.48Å
398	G	91.8	Very high	90.6	Very high	69 Å²	69	80.6 Å²	80.6	71%	0.711	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	21.1	-176.9	0	0	0	0	0	114.6	L394 D395	L394-G398 PolarHBondContact O-N 3.31Å; D395-G398 PolarHBondContact O-N 2.63Å
399	I	93.8	Very high	90.9	Very high	10 Å²	10	80.5 Å²	80.5	5%	0.051	41%	0.41	C	S	.	.			trans	-97.7	124.6	-178.3	-59.9	167.7	0	0	0	109.3	L394 L397 L401 V417 R420 F421	L394-I399 CarbonylContact C-O 3.41Å; L394-I399 HydrophobicContact CB-CB 4.24Å; L394-I399 WeakPolarHBondContact CB-O 3.24Å; L394-I399 HydrophobicContact CD2-CB 3.96Å; L394-I399 HydrophobicContact CD2-CD1 4.07Å; L394-I399 HydrophobicContact CD2-CG2 3.87Å; L394-I399 PolarHBondContact O-N 3.07Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 HydrophobicContact CB-CD1 3.88Å; L397-I399 HydrophobicContact CB-CG1 4.1Å; L397-I399 HydrophobicContact CD1-CD1 4.23Å; L397-I399 PolarHBondContact O-N 2.81Å; I399-L401 HydrophobicContact CG2-CD2 4.15Å; I399-L401 HydrophobicContact CG2-CG 4.24Å; I399-V417 HydrophobicContact CD1-CG1 4.32Å; I399-R420 HydrophobicContact CG1-CB 4.33Å; I399-R420 HydrophobicContact CG2-CB 3.78Å; I399-R420 HydrophobicContact CG2-CG 4.26Å; I399-F421 HydrophobicContact CD1-CB 3.71Å; I399-F421 HydrophobicContact CD1-CD2 4.09Å; I399-F421 HydrophobicContact CD1-CG 4.33Å
400	H	92.8	Very high	91	Very high	147 Å²	147	82.6 Å²	82.6	68%	0.681	42%	0.418	S	S	*	.			trans	-112.2	121.7	174.4	-168.3	66.7	0	0	0	110.8
401	L	91.6	Very high	91.1	Very high	13 Å²	13	90.8 Å²	90.8	7%	0.068	45%	0.448	C	S	.	.			trans	-112.6	142.4	175.3	-60.7	-176.1	0	0	0	110.6	L394 I399 E405 L406 L413 L416 V417 R420	L394-L401 HydrophobicContact CD1-CD1 3.76Å; L394-L401 HydrophobicContact CD1-CG 4.16Å; I399-L401 HydrophobicContact CG2-CD2 4.15Å; I399-L401 HydrophobicContact CG2-CG 4.24Å; L401-E405 VanDerWaalsContact CA-OE2 3.31Å; L401-E405 WeakPolarHBondContact CA-OE2 3.25Å; L401-E405 HydrophobicContact CB-CB 4.28Å; L401-L406 HydrophobicContact CB-CD2 4.2Å; L401-L406 HydrophobicContact CB-CG 4.08Å; L401-L406 HydrophobicContact CD1-CD2 3.97Å; L401-L413 HydrophobicContact CD1-CD1 3.73Å; L401-L416 HydrophobicContact CD2-CD2 3.91Å; L401-L416 HydrophobicContact CD2-CG 4.01Å; L401-V417 HydrophobicContact CD1-CG2 3.84Å; L401-R420 HydrophobicContact CD2-CG 4.34Å
402	V	93.2	Very high	91.2	Very high	77 Å²	77	89 Å²	89	47%	0.467	44%	0.437	S	S	.	.			trans	-75.1	160	174.2	-59.8	0	0	0	0	111.2	E404 E405 L406	V402-E404 HydrophobicContact CG2-CB 4.35Å; V402-E404 PolarHBondContact O-N 3.17Å; V402-E404 VanDerWaalsContact O-N 3.12Å; V402-E405 HydrophobicContact CG2-CB 3.92Å; V402-E405 HydrophobicContact CG2-CG 3.5Å; V402-E405 VanDerWaalsContact CG2-CG 3.5Å; V402-E405 PolarHBondContact N-OE2 2.96Å; V402-E405 WeakPolarHBondContact O-CB 3.38Å; V402-E405 PolarHBondContact O-N 3.14Å; V402-E405 VanDerWaalsContact O-N 3.09Å; V402-L406 PolarHBondContact O-N 2.88Å
403	K	89.1	Confident	91.3	Very high	178 Å²	178	80.8 Å²	80.8	77%	0.774	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.7	-178.9	-71.9	-173.4	178.9	-179.7	0	114.2	K407	K403-K407 WeakPolarHBondContact O-CG 3.19Å
404	E	91.5	Very high	91.5	Very high	158 Å²	158	79.3 Å²	79.3	74%	0.738	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-41.8	175.6	-67.8	179.3	175.3	0	0	111.2	V402 L406 K407	V402-E404 HydrophobicContact CG2-CB 4.35Å; V402-E404 PolarHBondContact O-N 3.17Å; V402-E404 VanDerWaalsContact O-N 3.12Å; E404-L406 VanDerWaalsContact C-N 3.31Å; E404-L406 PolarHBondContact O-N 3.14Å; E404-K407 WeakPolarHBondContact O-CB 3.11Å; E404-K407 PolarHBondContact O-N 3.31Å; E404-K407 VanDerWaalsContact O-N 3.07Å
405	E	90.7	Very high	91.5	Very high	39 Å²	39	80.2 Å²	80.2	18%	0.182	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-61.5	-38.6	175.1	-73.5	172.8	154.8	0	0	111.7	L401 V402 K407 L408 L416 R420	L401-E405 VanDerWaalsContact CA-OE2 3.31Å; L401-E405 WeakPolarHBondContact CA-OE2 3.25Å; L401-E405 HydrophobicContact CB-CB 4.28Å; V402-E405 HydrophobicContact CG2-CB 3.92Å; V402-E405 HydrophobicContact CG2-CG 3.5Å; V402-E405 VanDerWaalsContact CG2-CG 3.5Å; V402-E405 PolarHBondContact N-OE2 2.96Å; V402-E405 WeakPolarHBondContact O-CB 3.38Å; V402-E405 PolarHBondContact O-N 3.14Å; V402-E405 VanDerWaalsContact O-N 3.09Å; E405-K407 PolarHBondContact O-N 2.65Å; E405-L408 HydrophobicContact CB-CD1 4.48Å; E405-L408 VanDerWaalsContact O-CB 3.27Å; E405-L408 WeakPolarHBondContact O-CB 3.14Å; E405-L408 WeakPolarHBondContact O-CD1 3.05Å; E405-L408 WeakPolarHBondContact O-CG 3.36Å; E405-L408 PolarHBondContact O-N 2.88Å; E405-L408 VanDerWaalsContact O-N 3.14Å; E405-L416 HydrophobicContact CB-CD2 3.63Å; E405-L416 HydrophobicContact CG-CD2 3.56Å; E405-R420 IonicContact OE1-NH2 3.82Å
406	L	88.9	Confident	91.6	Very high	54 Å²	54	76.1 Å²	76.1	28%	0.283	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.4	176.1	-73.8	170.5	0	0	0	114	L394 L401 V402 E404	L394-L406 HydrophobicContact CD1-CD2 4.3Å; L401-L406 HydrophobicContact CB-CD2 4.2Å; L401-L406 HydrophobicContact CB-CG 4.08Å; L401-L406 HydrophobicContact CD1-CD2 3.97Å; V402-L406 PolarHBondContact O-N 2.88Å; E404-L406 VanDerWaalsContact C-N 3.31Å; E404-L406 PolarHBondContact O-N 3.14Å
407	K	90.1	Very high	91.7	Very high	174 Å²	174	70.1 Å²	70.1	76%	0.757	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-91	-1.6	176.8	-67.8	174	-176.2	179.5	0	113	K403 E404 E405	K403-K407 WeakPolarHBondContact O-CG 3.19Å; E404-K407 WeakPolarHBondContact O-CB 3.11Å; E404-K407 PolarHBondContact O-N 3.31Å; E404-K407 VanDerWaalsContact O-N 3.07Å; E405-K407 PolarHBondContact O-N 2.65Å
408	L	90.4	Very high	91.9	Very high	57 Å²	57	67.4 Å²	67.4	30%	0.298	34%	0.336	S	S	.	.	S	Bend	trans	-62.6	155.3	176.8	-68.4	173.1	0	0	0	110.9	E405 P412 L413 L416	E405-L408 HydrophobicContact CB-CD1 4.48Å; E405-L408 VanDerWaalsContact O-CB 3.27Å; E405-L408 WeakPolarHBondContact O-CB 3.14Å; E405-L408 WeakPolarHBondContact O-CD1 3.05Å; E405-L408 WeakPolarHBondContact O-CG 3.36Å; E405-L408 PolarHBondContact O-N 2.88Å; E405-L408 VanDerWaalsContact O-N 3.14Å; L408-P412 HydrophobicContact CB-CB 4.29Å; L408-P412 HydrophobicContact CD1-CB 4.4Å; L408-L413 HydrophobicContact CB-CB 4.23Å; L408-L416 HydrophobicContact CD1-CD2 4.04Å
409	N	90.6	Very high	92	Very high	109 Å²	109	66.8 Å²	66.8	58%	0.583	31%	0.313	S	S	*	.			trans	-60.2	155.5	169.9	-69.5	-32.9	0	0	0	110.5	R411 P412 L413	N409-R411 PolarHBondContact O-N 2.92Å; N409-R411 VanDerWaalsContact O-N 3.11Å; N409-P412 HydrophobicContact CB-CG 4.32Å; N409-P412 VanDerWaalsContact O-CD 3.27Å; N409-P412 WeakPolarHBondContact O-CD 3.47Å; N409-L413 VanDerWaalsContact O-CB 3.29Å; N409-L413 WeakPolarHBondContact O-CB 3.49Å; N409-L413 PolarHBondContact O-N 3.03Å
410	I	91.3	Very high	92	Very high	80 Å²	80	73.1 Å²	73.1	41%	0.41	34%	0.337	S	S	.	.	H	α-helix	trans	-53	-40.8	-174	-61.7	173.6	0	0	0	112.4	V383 L414	V383-I410 HydrophobicContact CB-CG2 4.32Å; V383-I410 HydrophobicContact CG2-CG2 3.84Å; I410-L414 HydrophobicContact CG2-CD1 4.26Å; I410-L414 HydrophobicContact CG2-CG 4.46Å; I410-L414 VanDerWaalsContact O-CB 3.31Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 WeakPolarHBondContact O-CG 3.48Å; I410-L414 PolarHBondContact O-N 2.92Å
411	R	90.8	Very high	92.1	Very high	174 Å²	174	67.6 Å²	67.6	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-68.3	-55.1	-177.8	-74.5	-180	179.5	-175.6	-1.6	112.6	Y312 N409 L413 L414 R415	Y312-R411 HydrophobicContact CE1-CB 4.4Å; Y312-R411 HydrophobicContact CE1-CG 4.43Å; N409-R411 PolarHBondContact O-N 2.92Å; N409-R411 VanDerWaalsContact O-N 3.11Å; R411-L413 VanDerWaalsContact C-N 3.29Å; R411-L413 PolarHBondContact O-N 3.43Å; R411-L414 PolarHBondContact O-N 2.92Å; R411-R415 PolarHBondContact O-N 3.38Å; R411-R415 VanDerWaalsContact O-N 3.1Å
412	P	91.7	Very high	92.3	Very high	19 Å²	19	67.8 Å²	67.8	12%	0.123	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-40.4	170.8	-26.5	31.6	0	0	0	113.5	D159 L408 N409 R415 L416	D159-P412 HydrophobicContact CB-CG 3.95Å; L408-P412 HydrophobicContact CB-CB 4.29Å; L408-P412 HydrophobicContact CD1-CB 4.4Å; N409-P412 HydrophobicContact CB-CG 4.32Å; N409-P412 VanDerWaalsContact O-CD 3.27Å; N409-P412 WeakPolarHBondContact O-CD 3.47Å; P412-R415 PolarHBondContact O-N 2.94Å; P412-L416 WeakPolarHBondContact O-CB 3.22Å; P412-L416 PolarHBondContact O-N 3.21Å
413	L	92.6	Very high	92.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-44.1	178.1	-177.9	60.2	0	0	0	112	V382 C386 L390 L401 L408 N409 R411 R415 L416 V417	V382-L413 HydrophobicContact CG1-CB 4.34Å; V382-L413 HydrophobicContact CG1-CD2 3.96Å; V382-L413 HydrophobicContact CG1-CG 3.91Å; C386-L413 WeakPolarHBondContact SG-CD2 3.27Å; L390-L413 HydrophobicContact CD2-CD2 4.04Å; L401-L413 HydrophobicContact CD1-CD1 3.73Å; L408-L413 HydrophobicContact CB-CB 4.23Å; N409-L413 VanDerWaalsContact O-CB 3.29Å; N409-L413 WeakPolarHBondContact O-CB 3.49Å; N409-L413 PolarHBondContact O-N 3.03Å; R411-L413 VanDerWaalsContact C-N 3.29Å; R411-L413 PolarHBondContact O-N 3.43Å; L413-R415 VanDerWaalsContact C-N 3.35Å; L413-R415 PolarHBondContact O-N 3.3Å; L413-L416 PolarHBondContact O-N 3.28Å; L413-V417 HydrophobicContact CD1-CG2 4.14Å; L413-V417 HydrophobicContact CG-CG2 4.36Å; L413-V417 WeakPolarHBondContact O-CB 3.47Å; L413-V417 VanDerWaalsContact O-CG2 3.28Å; L413-V417 WeakPolarHBondContact O-CG2 3.06Å; L413-V417 PolarHBondContact O-N 3.32Å
414	L	92.8	Very high	92.5	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-47.3	173.9	-91	176.4	0	0	0	111.9	Y312 L379 V382 V383 I410 R411 L416 V417 C418	Y312-L414 HydrophobicContact CD1-CB 3.58Å; Y312-L414 HydrophobicContact CD1-CD1 4.27Å; Y312-L414 HydrophobicContact CE1-CB 3.77Å; Y312-L414 HydrophobicContact CE1-CD1 3.8Å; Y312-L414 HydrophobicContact CE1-CG 4.47Å; Y312-L414 HydrophobicContact CE2-CD1 4.35Å; Y312-L414 HydrophobicContact CG-CB 4.26Å; L379-L414 HydrophobicContact CD2-CD1 4.11Å; L379-L414 HydrophobicContact CD2-CD2 3.73Å; L379-L414 HydrophobicContact CG-CD2 4.32Å; V382-L414 HydrophobicContact CB-CD2 3.52Å; V382-L414 HydrophobicContact CB-CG 4.02Å; V382-L414 HydrophobicContact CG1-CB 4.39Å; V382-L414 HydrophobicContact CG1-CD2 3.68Å; V382-L414 HydrophobicContact CG1-CG 3.61Å; V382-L414 HydrophobicContact CG2-CD2 3.97Å; V383-L414 HydrophobicContact CG2-CD1 3.77Å; V383-L414 HydrophobicContact CG2-CG 4.47Å; I410-L414 HydrophobicContact CG2-CD1 4.26Å; I410-L414 HydrophobicContact CG2-CG 4.46Å; I410-L414 VanDerWaalsContact O-CB 3.31Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 WeakPolarHBondContact O-CG 3.48Å; I410-L414 PolarHBondContact O-N 2.92Å; R411-L414 PolarHBondContact O-N 2.92Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 3.44Å; L414-V417 PolarHBondContact O-N 2.82Å; L414-C418 VanDerWaalsContact O-CB 3.29Å; L414-C418 WeakPolarHBondContact O-CB 3.44Å; L414-C418 PolarHBondContact O-N 2.81Å; L414-C418 PolarHBondContact O-SG 3.34Å
415	R	93	Very high	92.8	Very high	25 Å²	25	54.8 Å²	54.8	9%	0.094	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-44.6	177.5	-177	179.8	-177.3	78.4	-1.9	110.7	E149 S310 Q311 Y312 C313 R411 P412 L413 K419	E149-R415 IonicContact OE1-CZ 3.84Å; E149-R415 IonicContact OE1-NE 2.75Å; E149-R415 IonicContact OE1-NH2 3.86Å; E149-R415 PolarHBondContact OE1-NH2 2.78Å; E149-R415 IonicContact OE2-CZ 3.46Å; E149-R415 IonicContact OE2-NE 3.08Å; E149-R415 IonicContact OE2-NH2 2.74Å; E149-R415 PolarHBondContact OE2-NH2 2.82Å; S310-R415 PolarHBondContact O-NH1 3.3Å; Q311-R415 PolarHBondContact O-NH1 3.18Å; Y312-R415 HydrophobicContact CD1-CB 4.38Å; C313-R415 HydrophobicContact CB-CG 4.4Å; C313-R415 PolarHBondContact SG-NH1 3.17Å; C313-R415 PolarHBondContact SG-NH2 3.16Å; R411-R415 PolarHBondContact O-N 3.38Å; R411-R415 VanDerWaalsContact O-N 3.1Å; P412-R415 PolarHBondContact O-N 2.94Å; L413-R415 VanDerWaalsContact C-N 3.35Å; L413-R415 PolarHBondContact O-N 3.3Å; R415-K419 WeakPolarHBondContact O-CB 3.21Å; R415-K419 PolarHBondContact O-N 3.36Å
416	L	93.1	Very high	93	Very high	31 Å²	31	54 Å²	54	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-47.4	179.5	-178	63.2	0	0	0	112.6	L401 E405 L408 P412 L413 L414 C418 K419 R420	L401-L416 HydrophobicContact CD2-CD2 3.91Å; L401-L416 HydrophobicContact CD2-CG 4.01Å; E405-L416 HydrophobicContact CB-CD2 3.63Å; E405-L416 HydrophobicContact CG-CD2 3.56Å; L408-L416 HydrophobicContact CD1-CD2 4.04Å; P412-L416 WeakPolarHBondContact O-CB 3.22Å; P412-L416 PolarHBondContact O-N 3.21Å; L413-L416 PolarHBondContact O-N 3.28Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 3.44Å; L416-C418 VanDerWaalsContact C-N 3.35Å; L416-C418 PolarHBondContact O-N 2.8Å; L416-K419 PolarHBondContact O-N 2.99Å; L416-R420 WeakPolarHBondContact O-CG 3.37Å; L416-R420 PolarHBondContact O-N 2.96Å
417	V	94.6	Very high	93.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-48	177.8	170.1	0	0	0	0	110.3	I378 V382 L394 I399 L401 L413 L414 R420 F421	I378-V417 HydrophobicContact CG2-CG1 3.96Å; V382-V417 HydrophobicContact CG2-CB 4.42Å; V382-V417 HydrophobicContact CG2-CG1 4.28Å; V382-V417 HydrophobicContact CG2-CG2 4.14Å; L394-V417 HydrophobicContact CD2-CG1 3.77Å; L394-V417 HydrophobicContact CD2-CG2 3.96Å; I399-V417 HydrophobicContact CD1-CG1 4.32Å; L401-V417 HydrophobicContact CD1-CG2 3.84Å; L413-V417 HydrophobicContact CD1-CG2 4.14Å; L413-V417 HydrophobicContact CG-CG2 4.36Å; L413-V417 WeakPolarHBondContact O-CB 3.47Å; L413-V417 VanDerWaalsContact O-CG2 3.28Å; L413-V417 WeakPolarHBondContact O-CG2 3.06Å; L413-V417 PolarHBondContact O-N 3.32Å; L414-V417 PolarHBondContact O-N 2.82Å; V417-R420 PolarHBondContact O-N 2.92Å; V417-F421 WeakPolarHBondContact O-CB 3.3Å; V417-F421 PolarHBondContact O-N 2.97Å
418	C	95.1	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-40.9	178.6	-69	0	0	0	0	111.7	Y312 V314 L414 L416 R420 F421 F422	Y312-C418 WeakPolarHBondContact O-CB 3.4Å; V314-C418 HydrophobicContact CG2-CB 3.79Å; L414-C418 VanDerWaalsContact O-CB 3.29Å; L414-C418 WeakPolarHBondContact O-CB 3.44Å; L414-C418 PolarHBondContact O-N 2.81Å; L414-C418 PolarHBondContact O-SG 3.34Å; L416-C418 VanDerWaalsContact C-N 3.35Å; L416-C418 PolarHBondContact O-N 2.8Å; C418-R420 VanDerWaalsContact C-N 3.3Å; C418-R420 PolarHBondContact O-N 3.28Å; C418-F421 PolarHBondContact O-N 3.01Å; C418-F422 HydrophobicContact CB-CD2 4.12Å; C418-F422 HydrophobicContact CB-CE2 4.43Å; C418-F422 WeakPolarHBondContact O-CB 3.47Å; C418-F422 WeakPolarHBondContact O-CD2 3.39Å; C418-F422 PolarHBondContact O-N 2.96Å
419	K	93.7	Very high	94	Very high	55 Å²	55	40.5 Å²	40.5	24%	0.239	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-38.7	174.7	-173.7	172.1	-174	166.6	0	112.2	E149 C313 R415 L416 G423	E149-K419 IonicContact OE2-NZ 3.34Å; E149-K419 PolarHBondContact OE2-NZ 2.86Å; C313-K419 HydrophobicContact CB-CB 4.11Å; R415-K419 WeakPolarHBondContact O-CB 3.21Å; R415-K419 PolarHBondContact O-N 3.36Å; L416-K419 PolarHBondContact O-N 2.99Å; K419-G423 VanDerWaalsContact O-CA 3.23Å; K419-G423 WeakPolarHBondContact O-CA 3.21Å; K419-G423 PolarHBondContact O-N 3.43Å
420	R	94.3	Very high	94.3	Very high	144 Å²	144	35.9 Å²	35.9	54%	0.543	17%	0.167	S	C	.	.	H	α-helix	trans	-73.2	-35	175.7	-64.8	-70.1	-170.6	160.7	4.6	112.8	I399 L401 E405 L416 V417 C418	I399-R420 HydrophobicContact CG1-CB 4.33Å; I399-R420 HydrophobicContact CG2-CB 3.78Å; I399-R420 HydrophobicContact CG2-CG 4.26Å; L401-R420 HydrophobicContact CD2-CG 4.34Å; E405-R420 IonicContact OE1-NH2 3.82Å; L416-R420 WeakPolarHBondContact O-CG 3.37Å; L416-R420 PolarHBondContact O-N 2.96Å; V417-R420 PolarHBondContact O-N 2.92Å; C418-R420 VanDerWaalsContact C-N 3.3Å; C418-R420 PolarHBondContact O-N 3.28Å
421	F	95.4	Very high	94.6	Very high	31 Å²	31	32.1 Å²	32.1	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-75.5	-52.4	-179	-176.3	-111.2	0	0	0	112.9	I324 I378 L397 I399 V417 C418	I324-F421 HydrophobicContact CD1-CE1 4.44Å; I324-F421 HydrophobicContact CG2-CE2 4.23Å; I324-F421 HydrophobicContact CG2-CZ 4.11Å; I378-F421 HydrophobicContact CD1-CD1 3.75Å; I378-F421 HydrophobicContact CD1-CD2 4.38Å; I378-F421 HydrophobicContact CD1-CE1 3.68Å; I378-F421 HydrophobicContact CD1-CE2 4.33Å; I378-F421 HydrophobicContact CD1-CG 4.1Å; I378-F421 HydrophobicContact CD1-CZ 3.98Å; L397-F421 HydrophobicContact CB-CD2 4.3Å; L397-F421 HydrophobicContact CB-CE2 4.47Å; L397-F421 HydrophobicContact CD1-CD2 4.46Å; L397-F421 HydrophobicContact CD2-CD2 4.3Å; L397-F421 HydrophobicContact CD2-CE2 3.76Å; L397-F421 HydrophobicContact CD2-CZ 4.48Å; I399-F421 HydrophobicContact CD1-CB 3.71Å; I399-F421 HydrophobicContact CD1-CD2 4.09Å; I399-F421 HydrophobicContact CD1-CG 4.33Å; V417-F421 WeakPolarHBondContact O-CB 3.3Å; V417-F421 PolarHBondContact O-N 2.97Å; C418-F421 PolarHBondContact O-N 3.01Å
422	F	94.9	Very high	94.9	Very high	17 Å²	17	23.9 Å²	23.9	8%	0.075	12%	0.117	C	C	.	.	H	α-helix	trans	-81.2	-27.4	-178	-69.5	-76.7	0	0	0	112.3	V314 F316 F321 I324 L375 C418	V314-F422 HydrophobicContact CB-CD2 4.25Å; V314-F422 HydrophobicContact CB-CE2 4.14Å; V314-F422 HydrophobicContact CG1-CD1 4.43Å; V314-F422 HydrophobicContact CG1-CD2 4.01Å; V314-F422 HydrophobicContact CG1-CE1 4.07Å; V314-F422 HydrophobicContact CG1-CE2 3.62Å; V314-F422 HydrophobicContact CG1-CG 4.42Å; V314-F422 HydrophobicContact CG1-CZ 3.66Å; V314-F422 HydrophobicContact CG2-CD2 3.94Å; V314-F422 HydrophobicContact CG2-CE2 3.69Å; F316-F422 HydrophobicContact CB-CD1 4.5Å; F316-F422 HydrophobicContact CB-CE1 4.47Å; F316-F422 HydrophobicContact CD1-CD1 4.3Å; F316-F422 AromaticContact CD1-CE1 3.68Å; F316-F422 HydrophobicContact CD1-CE1 3.68Å; F316-F422 HydrophobicContact CD1-CZ 4.27Å; F316-F422 HydrophobicContact CE1-CE1 4.32Å; F316-F422 HydrophobicContact CG-CE1 4.33Å; F321-F422 AromaticContact CD2-CE1 3.86Å; F321-F422 HydrophobicContact CD2-CE1 3.86Å; F321-F422 AromaticContact CE2-CE1 3.64Å; F321-F422 HydrophobicContact CE2-CE1 3.64Å; F321-F422 HydrophobicContact CE2-CZ 4.1Å; I324-F422 HydrophobicContact CD1-CD1 3.9Å; I324-F422 HydrophobicContact CD1-CE1 4.38Å; L375-F422 HydrophobicContact CD1-CE2 4.25Å; L375-F422 HydrophobicContact CD1-CZ 4.02Å; C418-F422 HydrophobicContact CB-CD2 4.12Å; C418-F422 HydrophobicContact CB-CE2 4.43Å; C418-F422 WeakPolarHBondContact O-CB 3.47Å; C418-F422 WeakPolarHBondContact O-CD2 3.39Å; C418-F422 PolarHBondContact O-N 2.96Å
423	G	93.2	Very high	95.2	Very high	36 Å²	36	24 Å²	24	37%	0.371	12%	0.117	S	C	.	.			trans	69.6	-130	-178.2	0	0	0	0	0	112.2	K419	K419-G423 VanDerWaalsContact O-CA 3.23Å; K419-G423 WeakPolarHBondContact O-CA 3.21Å; K419-G423 PolarHBondContact O-N 3.43Å
424	E	94.4	Very high	95.3	Very high	99 Å²	99	30 Å²	30	46%	0.463	15%	0.145	S	C	.	.	S	Bend	trans	-79.8	154.7	-179.5	-66.6	175.9	174.1	0	0	112.3	Q150 P189 T426	Q150-E424 HydrophobicContact CG-CG 4.11Å; P189-E424 WeakPolarHBondContact CG-OE2 3.29Å; E424-T426 HydrophobicContact CB-CG2 4.09Å; E424-T426 PolarHBondContact O-N 3.14Å
425	F	96.6	Very high	95.5	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.022	16%	0.158	C	C	.	.			trans	-77.1	42.8	-178.5	-78.9	28.9	0	0	0	112.9	F143 C146 L147 C313 C315 G427 F428 V429	F143-F425 HydrophobicContact CD2-CD2 4.47Å; F143-F425 AromaticContact CD2-CE2 3.94Å; F143-F425 HydrophobicContact CD2-CE2 3.94Å; F143-F425 HydrophobicContact CE1-CD2 4.25Å; F143-F425 AromaticContact CE2-CD2 3.78Å; F143-F425 HydrophobicContact CE2-CD2 3.78Å; F143-F425 AromaticContact CE2-CE2 3.6Å; F143-F425 HydrophobicContact CE2-CE2 3.6Å; F143-F425 AromaticContact CZ-CD2 3.65Å; F143-F425 HydrophobicContact CZ-CD2 3.65Å; F143-F425 AromaticContact CZ-CE2 3.96Å; F143-F425 HydrophobicContact CZ-CE2 3.96Å; C146-F425 HydrophobicContact CB-CD2 4.36Å; C146-F425 HydrophobicContact CB-CE1 4.22Å; C146-F425 HydrophobicContact CB-CE2 3.46Å; C146-F425 VanDerWaalsContact CB-CE2 3.46Å; C146-F425 HydrophobicContact CB-CZ 3.38Å; L147-F425 HydrophobicContact CD2-CB 3.75Å; L147-F425 HydrophobicContact CD2-CD2 3.73Å; L147-F425 HydrophobicContact CD2-CG 4.05Å; L147-F425 HydrophobicContact CG-CD2 4.43Å; C313-F425 HydrophobicContact CB-CE1 4.24Å; C313-F425 HydrophobicContact CB-CZ 4.42Å; C315-F425 HydrophobicContact CB-CB 4.3Å; C315-F425 HydrophobicContact CB-CD1 3.79Å; C315-F425 HydrophobicContact CB-CD2 3.58Å; C315-F425 HydrophobicContact CB-CE1 3.89Å; C315-F425 HydrophobicContact CB-CE2 3.69Å; C315-F425 HydrophobicContact CB-CG 3.62Å; C315-F425 HydrophobicContact CB-CZ 3.84Å; F425-G427 PolarHBondContact O-N 2.82Å; F425-F428 WeakPolarHBondContact O-CB 3.48Å; F425-F428 PolarHBondContact O-N 2.99Å; F425-F428 VanDerWaalsContact O-N 3.11Å; F425-V429 PolarHBondContact O-N 3.49Å
426	T	96.3	Very high	95.7	Very high	22 Å²	22	31.7 Å²	31.7	14%	0.135	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-31.3	179.9	52.8	0	0	0	0	113.1	E424 F428 V429 D430	E424-T426 HydrophobicContact CB-CG2 4.09Å; E424-T426 PolarHBondContact O-N 3.14Å; T426-F428 VanDerWaalsContact C-N 3.34Å; T426-F428 PolarHBondContact O-N 2.61Å; T426-V429 PolarHBondContact O-N 3.48Å; T426-D430 WeakPolarHBondContact O-CB 3.25Å; T426-D430 VanDerWaalsContact O-CG 3.22Å; T426-D430 PolarHBondContact O-N 3.31Å
427	G	95.3	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-38.9	176.5	0	0	0	0	0	113.2	T317 F425 M431	T317-G427 WeakPolarHBondContact CG2-O 3.13Å; F425-G427 PolarHBondContact O-N 2.82Å; G427-M431 WeakPolarHBondContact O-CB 3.23Å; G427-M431 PolarHBondContact O-N 2.82Å; G427-M431 VanDerWaalsContact O-N 3.14Å
428	F	97.6	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-43.5	173.9	169.1	-98.3	0	0	0	111.2	L132 F143 L147 L188 F198 I200 V224 F425 T426 M431 C432	L132-F428 HydrophobicContact CD2-CE2 4.1Å; L132-F428 HydrophobicContact CD2-CZ 4.03Å; F143-F428 HydrophobicContact CE1-CD1 4.33Å; F143-F428 AromaticContact CE1-CD2 3.71Å; F143-F428 HydrophobicContact CE1-CD2 3.71Å; F143-F428 AromaticContact CE1-CE2 3.91Å; F143-F428 HydrophobicContact CE1-CE2 3.91Å; F143-F428 AromaticContact CE1-CG 3.93Å; F143-F428 HydrophobicContact CE1-CG 3.93Å; F143-F428 HydrophobicContact CE1-CZ 4.32Å; F143-F428 HydrophobicContact CZ-CB 3.95Å; F143-F428 AromaticContact CZ-CD2 3.72Å; F143-F428 HydrophobicContact CZ-CD2 3.72Å; F143-F428 HydrophobicContact CZ-CE2 4.36Å; F143-F428 AromaticContact CZ-CG 3.84Å; F143-F428 HydrophobicContact CZ-CG 3.84Å; L147-F428 HydrophobicContact CD1-CE1 4.21Å; L188-F428 HydrophobicContact CD1-CE1 4.39Å; F198-F428 HydrophobicContact CD1-CE1 4.12Å; F198-F428 AromaticContact CE1-CE1 3.95Å; F198-F428 HydrophobicContact CE1-CE1 3.95Å; I200-F428 HydrophobicContact CD1-CE1 4.22Å; I200-F428 HydrophobicContact CD1-CZ 4.43Å; V224-F428 HydrophobicContact CB-CE2 4.39Å; V224-F428 HydrophobicContact CG1-CE2 4.15Å; V224-F428 HydrophobicContact CG2-CE2 3.79Å; V224-F428 HydrophobicContact CG2-CZ 4.39Å; F425-F428 WeakPolarHBondContact O-CB 3.48Å; F425-F428 PolarHBondContact O-N 2.99Å; F425-F428 VanDerWaalsContact O-N 3.11Å; T426-F428 VanDerWaalsContact C-N 3.34Å; T426-F428 PolarHBondContact O-N 2.61Å; F428-M431 HydrophobicContact CD2-CE 3.91Å; F428-M431 HydrophobicContact CE2-CE 4.31Å; F428-M431 WeakPolarHBondContact O-CB 3.3Å; F428-M431 PolarHBondContact O-N 3.21Å; F428-C432 PolarHBondContact O-N 3.07Å; F428-C432 PolarHBondContact O-SG 2.93Å; F428-C432 VanDerWaalsContact O-SG 3.35Å
429	V	97.8	Very high	96	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-47.8	178.5	178.8	0	0	0	0	111	L188 P189 D190 F196 F198 F425 T426 M431 C432 V433	L188-V429 HydrophobicContact CB-CG2 3.58Å; L188-V429 HydrophobicContact CD1-CG2 4.11Å; L188-V429 HydrophobicContact CG-CG2 4.44Å; P189-V429 WeakPolarHBondContact O-CG2 3.48Å; D190-V429 HydrophobicContact CB-CG1 3.85Å; F196-V429 HydrophobicContact CD2-CG1 4.47Å; F198-V429 HydrophobicContact CE2-CB 4.46Å; F198-V429 HydrophobicContact CE2-CG1 3.78Å; F198-V429 HydrophobicContact CE2-CG2 4.35Å; F198-V429 HydrophobicContact CZ-CB 4.34Å; F198-V429 HydrophobicContact CZ-CG1 3.98Å; F198-V429 HydrophobicContact CZ-CG2 4.42Å; F425-V429 PolarHBondContact O-N 3.49Å; T426-V429 PolarHBondContact O-N 3.48Å; V429-M431 VanDerWaalsContact C-N 3.32Å; V429-M431 PolarHBondContact O-N 2.75Å; V429-C432 PolarHBondContact O-N 3.48Å; V429-V433 HydrophobicContact CG1-CG2 4.03Å; V429-V433 WeakPolarHBondContact O-CB 3.41Å; V429-V433 VanDerWaalsContact O-CG2 3.24Å; V429-V433 WeakPolarHBondContact O-CG2 3.47Å; V429-V433 PolarHBondContact O-N 2.8Å
430	D	96.6	Very high	96.1	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-44.8	177.4	-71.7	-20.4	0	0	0	111.8	S191 T426 Q434	S191-D430 WeakPolarHBondContact CB-OD1 3.2Å; S191-D430 WeakPolarHBondContact CB-OD2 3.11Å; S191-D430 PolarHBondContact N-OD1 3.42Å; S191-D430 PolarHBondContact OG-OD2 2.86Å; T426-D430 WeakPolarHBondContact O-CB 3.25Å; T426-D430 VanDerWaalsContact O-CG 3.22Å; T426-D430 PolarHBondContact O-N 3.31Å; D430-Q434 VanDerWaalsContact O-CB 3.26Å; D430-Q434 WeakPolarHBondContact O-CB 3.34Å; D430-Q434 WeakPolarHBondContact O-CG 3.47Å; D430-Q434 PolarHBondContact O-N 3.24Å
431	M	97.3	Very high	96.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-52.3	178	175.2	-176.7	78	0	0	110.8	V224 T252 G303 C306 T317 G427 F428 V429 H435	V224-M431 HydrophobicContact CG1-CE 3.87Å; V224-M431 HydrophobicContact CG2-CE 3.99Å; T252-M431 HydrophobicContact CG2-CG 4.03Å; G303-M431 WeakPolarHBondContact O-CB 3.15Å; G303-M431 VanDerWaalsContact O-CG 3.3Å; G303-M431 WeakPolarHBondContact O-CG 3.48Å; C306-M431 HydrophobicContact CB-SD 3.96Å; C306-M431 VanDerWaalsContact SG-CE 3.53Å; C306-M431 VanDerWaalsContact SG-SD 3.63Å; T317-M431 HydrophobicContact CG2-CB 4.27Å; G427-M431 WeakPolarHBondContact O-CB 3.23Å; G427-M431 PolarHBondContact O-N 2.82Å; G427-M431 VanDerWaalsContact O-N 3.14Å; F428-M431 HydrophobicContact CD2-CE 3.91Å; F428-M431 HydrophobicContact CE2-CE 4.31Å; F428-M431 WeakPolarHBondContact O-CB 3.3Å; F428-M431 PolarHBondContact O-N 3.21Å; V429-M431 VanDerWaalsContact C-N 3.32Å; V429-M431 PolarHBondContact O-N 2.75Å; M431-H435 WeakPolarHBondContact O-CB 3.25Å; M431-H435 PolarHBondContact O-CD2 3.17Å; M431-H435 PolarHBondContact O-N 3.22Å
432	C	97.4	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-43.5	-179.1	-67.9	0	0	0	0	111.8	F198 F428 V429 Q434 I436	F198-C432 HydrophobicContact CE1-CB 3.46Å; F198-C432 VanDerWaalsContact CE1-CB 3.46Å; F198-C432 HydrophobicContact CZ-CB 3.73Å; F428-C432 PolarHBondContact O-N 3.07Å; F428-C432 PolarHBondContact O-SG 2.93Å; F428-C432 VanDerWaalsContact O-SG 3.35Å; V429-C432 PolarHBondContact O-N 3.48Å; C432-Q434 VanDerWaalsContact C-N 3.32Å; C432-Q434 PolarHBondContact O-N 3.06Å; C432-I436 HydrophobicContact CB-CD1 4.12Å; C432-I436 WeakPolarHBondContact O-CA 3.43Å; C432-I436 WeakPolarHBondContact O-CB 3.28Å; C432-I436 PolarHBondContact O-N 3.38Å
433	V	96.9	Very high	95.9	Very high	21 Å²	21	28.1 Å²	28.1	13%	0.127	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-36	-178.7	169.8	0	0	0	0	112.1	R128 F196 F198 V429	R128-V433 HydrophobicContact CG-CG2 4.46Å; R128-V433 PolarHBondContact NH2-O 3.01Å; R128-V433 VanDerWaalsContact NH2-O 3.09Å; F196-V433 HydrophobicContact CB-CG2 4.4Å; F196-V433 HydrophobicContact CD1-CG2 3.98Å; F196-V433 HydrophobicContact CD2-CG2 3.79Å; F196-V433 HydrophobicContact CE1-CG1 3.88Å; F196-V433 HydrophobicContact CE1-CG2 4.16Å; F196-V433 HydrophobicContact CE2-CG1 4.1Å; F196-V433 HydrophobicContact CE2-CG2 3.98Å; F196-V433 HydrophobicContact CG-CG2 3.8Å; F196-V433 HydrophobicContact CZ-CG1 3.65Å; F196-V433 HydrophobicContact CZ-CG2 4.16Å; F198-V433 HydrophobicContact CE2-CG2 4.32Å; F198-V433 HydrophobicContact CZ-CG2 4.15Å; V429-V433 HydrophobicContact CG1-CG2 4.03Å; V429-V433 WeakPolarHBondContact O-CB 3.41Å; V429-V433 VanDerWaalsContact O-CG2 3.24Å; V429-V433 WeakPolarHBondContact O-CG2 3.47Å; V429-V433 PolarHBondContact O-N 2.8Å
434	Q	95.6	Very high	96	Very high	126 Å²	126	32.3 Å²	32.3	59%	0.589	17%	0.174	S	C	*	.	H	α-helix	trans	-81.1	-35.6	-178.1	-69.6	170.4	28.9	0	0	113.6	D430 C432	D430-Q434 VanDerWaalsContact O-CB 3.26Å; D430-Q434 WeakPolarHBondContact O-CB 3.34Å; D430-Q434 WeakPolarHBondContact O-CG 3.47Å; D430-Q434 PolarHBondContact O-N 3.24Å; C432-Q434 VanDerWaalsContact C-N 3.32Å; C432-Q434 PolarHBondContact O-N 3.06Å
435	H	96.4	Very high	95.9	Very high	61 Å²	61	31.8 Å²	31.8	28%	0.282	17%	0.174	S	C	.	.	H	α-helix	trans	-112.9	-22.8	-169.9	-66.1	-78.3	0	0	0	114.4	A250 T252 L302 N304 M431	A250-H435 WeakPolarHBondContact CB-O 3.38Å; T252-H435 HydrophobicContact CG2-CB 3.68Å; L302-H435 PolarHBondContact O-CE1 3.07Å; L302-H435 PolarHBondContact O-NE2 3.1Å; N304-H435 HydrophobicContact CB-CB 4.3Å; N304-H435 PolarHBondContact N-NE2 2.78Å; M431-H435 WeakPolarHBondContact O-CB 3.25Å; M431-H435 PolarHBondContact O-CD2 3.17Å; M431-H435 PolarHBondContact O-N 3.22Å
436	I	96.6	Very high	95.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-93.7	122.9	172.3	-58.8	178.4	0	0	0	107.7	R128 V130 D221 V224 T252 C432	R128-I436 WeakPolarHBondContact CD-O 3.33Å; R128-I436 PolarHBondContact NE-O 3.03Å; V130-I436 HydrophobicContact CB-CD1 4.3Å; V130-I436 HydrophobicContact CG1-CD1 3.78Å; V130-I436 HydrophobicContact CG2-CD1 3.66Å; V130-I436 HydrophobicContact CG2-CG2 4.46Å; D221-I436 HydrophobicContact CB-CG2 4.32Å; V224-I436 HydrophobicContact CG2-CD1 4.23Å; T252-I436 HydrophobicContact CG2-CG1 4.12Å; C432-I436 HydrophobicContact CB-CD1 4.12Å; C432-I436 WeakPolarHBondContact O-CA 3.43Å; C432-I436 WeakPolarHBondContact O-CB 3.28Å; C432-I436 PolarHBondContact O-N 3.38Å
437	P	96.7	Very high	95.6	Very high	46 Å²	46	31.1 Å²	31.1	30%	0.299	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-62.9	150.4	179.1	25.8	-32.1	0	0	0	110.4	D221	D221-P437 HydrophobicContact CB-CG 4.3Å
438	S	97.4	Very high	95.5	Very high	20 Å²	20	35.1 Å²	35.1	14%	0.14	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.4	157.5	165.1	57.5	0	0	0	0	109.7	Q440 G441 G442	S438-Q440 PolarHBondContact O-N 2.88Å; S438-Q440 VanDerWaalsContact O-N 3.12Å; S438-G441 CarbonylContact O-C 3.6Å; S438-G441 PolarHBondContact O-N 3.28Å; S438-G441 PolarHBondContact OG-N 3.29Å; S438-G442 PolarHBondContact O-N 3.45Å
439	P	95.8	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-44.9	-43.2	171	-33	34.8	0	0	0	113.6	P124 I127 N129 G442 A443	P124-P439 WeakPolarHBondContact O-CD 3.41Å; I127-P439 HydrophobicContact CB-CG 3.94Å; I127-P439 HydrophobicContact CG2-CG 3.82Å; I127-P439 WeakPolarHBondContact O-CD 3.31Å; N129-P439 WeakPolarHBondContact ND2-CG 3.49Å; P439-G442 PolarHBondContact O-N 3.38Å; P439-A443 WeakPolarHBondContact O-CA 3.01Å; P439-A443 WeakPolarHBondContact O-CB 3.29Å; P439-A443 PolarHBondContact O-N 3.4Å
440	Q	94.8	Very high	95	Very high	80 Å²	80	36.6 Å²	36.6	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-41.5	176.9	-172.1	172	43.1	0	0	113.1	P124 E125 S438 E465 C466	P124-Q440 HydrophobicContact CB-CB 4.19Å; E125-Q440 VanDerWaalsContact CG-OE1 3.28Å; S438-Q440 PolarHBondContact O-N 2.88Å; S438-Q440 VanDerWaalsContact O-N 3.12Å; Q440-E465 PolarHBondContact NE2-O 3.05Å; Q440-C466 HydrophobicContact CB-CB 4.34Å
441	G	94.3	Very high	94.9	Very high	52 Å²	52	36 Å²	36	54%	0.536	19%	0.192	S	C	.	.	H	α-helix	trans	-72.7	-28.4	177.1	0	0	0	0	0	113.8	S438	S438-G441 CarbonylContact O-C 3.6Å; S438-G441 PolarHBondContact O-N 3.28Å; S438-G441 PolarHBondContact OG-N 3.29Å
442	G	93.5	Very high	94.5	Very high	5 Å²	5	38.8 Å²	38.8	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-93	-18.4	-177.9	0	0	0	0	0	114.7	S438 P439 K444 N445 K446	S438-G442 PolarHBondContact O-N 3.45Å; P439-G442 PolarHBondContact O-N 3.38Å; G442-K444 PolarHBondContact O-N 3.26Å; G442-N445 PolarHBondContact O-N 3.37Å; G442-K446 PolarHBondContact O-N 2.6Å; G442-K446 VanDerWaalsContact O-N 3.08Å
443	A	94.4	Very high	93.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-54	-49.3	-174	0	0	0	0	0	112.7	P439 N445 K446 I447 M463 A464 C466	P439-A443 WeakPolarHBondContact O-CA 3.01Å; P439-A443 WeakPolarHBondContact O-CB 3.29Å; P439-A443 PolarHBondContact O-N 3.4Å; A443-N445 PolarHBondContact O-N 2.85Å; A443-K446 WeakPolarHBondContact O-CB 3.44Å; A443-K446 PolarHBondContact O-N 3.37Å; A443-K446 VanDerWaalsContact O-N 3.1Å; A443-I447 VanDerWaalsContact O-CG1 3.29Å; A443-I447 WeakPolarHBondContact O-CG1 3.21Å; A443-I447 PolarHBondContact O-N 2.98Å; A443-M463 WeakPolarHBondContact CB-O 3.45Å; A443-A464 WeakPolarHBondContact CB-O 3.42Å; A443-C466 HydrophobicContact CB-CB 4.26Å
444	K	93.8	Very high	93.2	Very high	123 Å²	123	40 Å²	40	54%	0.535	23%	0.226	S	C	.	.	H	α-helix	trans	-53.1	-50.7	-179.7	-177.3	174.4	180	169.9	0	113.2	G442 K446 E448 L455 A464	G442-K444 PolarHBondContact O-N 3.26Å; K444-K446 VanDerWaalsContact C-N 3.32Å; K444-K446 PolarHBondContact O-N 3.32Å; K444-E448 WeakPolarHBondContact O-CB 3.32Å; K444-E448 PolarHBondContact O-N 2.82Å; K444-E448 VanDerWaalsContact O-N 3.09Å; K444-L455 HydrophobicContact CG-CD1 4.19Å; K444-L455 HydrophobicContact CG-CD2 4.43Å; K444-A464 HydrophobicContact CB-CB 4.39Å
445	N	92	Very high	92.6	Very high	88 Å²	88	36.1 Å²	36.1	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-37	-179.5	-70.2	-7.2	0	0	0	111.5	G442 A443 H449	G442-N445 PolarHBondContact O-N 3.37Å; A443-N445 PolarHBondContact O-N 2.85Å; N445-H449 PolarHBondContact O-N 2.97Å
446	K	94.1	Very high	91.9	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-54	177.2	179.3	68.1	68.9	171.1	0	110.8	I217 R218 S220 G442 A443 K444 E448 H449 S450	I217-K446 PolarHBondContact O-NZ 2.69Å; I217-K446 VanDerWaalsContact O-NZ 3.16Å; R218-K446 WeakPolarHBondContact O-CE 3.39Å; R218-K446 PolarHBondContact O-NZ 2.83Å; S220-K446 WeakPolarHBondContact O-CE 3.4Å; S220-K446 PolarHBondContact O-NZ 2.95Å; G442-K446 PolarHBondContact O-N 2.6Å; G442-K446 VanDerWaalsContact O-N 3.08Å; A443-K446 WeakPolarHBondContact O-CB 3.44Å; A443-K446 PolarHBondContact O-N 3.37Å; A443-K446 VanDerWaalsContact O-N 3.1Å; K444-K446 VanDerWaalsContact C-N 3.32Å; K444-K446 PolarHBondContact O-N 3.32Å; K446-E448 VanDerWaalsContact C-N 3.35Å; K446-E448 PolarHBondContact O-N 3.37Å; K446-H449 PolarHBondContact O-N 2.99Å; K446-H449 VanDerWaalsContact O-N 3.07Å; K446-S450 PolarHBondContact O-N 3.41Å; K446-S450 PolarHBondContact O-OG 2.86Å
447	I	94.3	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-41.1	-177.5	-61.9	-57.3	0	0	0	111.3	A443 H449 S450 Y451 L455 M463 L495 F575	A443-I447 VanDerWaalsContact O-CG1 3.29Å; A443-I447 WeakPolarHBondContact O-CG1 3.21Å; A443-I447 PolarHBondContact O-N 2.98Å; I447-H449 PolarHBondContact O-N 3.46Å; I447-S450 PolarHBondContact O-N 3.04Å; I447-Y451 HydrophobicContact CG2-CD1 4.31Å; I447-Y451 HydrophobicContact CG2-CG 4.36Å; I447-Y451 VanDerWaalsContact O-CB 3.26Å; I447-Y451 WeakPolarHBondContact O-CB 2.98Å; I447-Y451 PolarHBondContact O-N 2.86Å; I447-L455 HydrophobicContact CB-CD2 4.04Å; I447-L455 HydrophobicContact CG2-CD2 3.83Å; I447-M463 HydrophobicContact CD1-CB 3.76Å; I447-M463 HydrophobicContact CD1-CE 4.45Å; I447-M463 HydrophobicContact CD1-CG 4.38Å; I447-M463 HydrophobicContact CD1-SD 3.9Å; I447-M463 HydrophobicContact CG1-CB 3.82Å; I447-M463 HydrophobicContact CG2-CE 4.23Å; I447-L495 HydrophobicContact CD1-CD1 4.11Å; I447-L495 HydrophobicContact CD1-CD2 4.2Å; I447-F575 HydrophobicContact CD1-CE1 3.84Å; I447-F575 HydrophobicContact CD1-CZ 4.3Å
448	E	92	Very high	90.8	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-56.3	-36.7	175	-163.7	-165.3	141	0	0	112.5	R248 K444 K446 L455	R248-E448 IonicContact CZ-OE1 2.92Å; R248-E448 IonicContact NH1-OE1 3.21Å; R248-E448 PolarHBondContact NH1-OE1 3.29Å; R248-E448 IonicContact NH1-OE2 2.93Å; R248-E448 PolarHBondContact NH1-OE2 3.02Å; R248-E448 IonicContact NH2-OE1 2.56Å; K444-E448 WeakPolarHBondContact O-CB 3.32Å; K444-E448 PolarHBondContact O-N 2.82Å; K444-E448 VanDerWaalsContact O-N 3.09Å; K446-E448 VanDerWaalsContact C-N 3.35Å; K446-E448 PolarHBondContact O-N 3.37Å; E448-L455 HydrophobicContact CB-CD1 3.83Å; E448-L455 HydrophobicContact CB-CG 4.15Å; E448-L455 HydrophobicContact CG-CD1 3.88Å; E448-L455 HydrophobicContact CG-CG 4.41Å
449	H	91.1	Very high	90.3	Very high	30 Å²	30	47.1 Å²	47.1	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-85.1	-44	-178.4	-172.5	67.6	0	0	0	112.8	Q246 E247 N445 K446 I447 R576	Q246-H449 PolarHBondContact O-CE1 2.87Å; E247-H449 IonicContact OE1-NE2 2.79Å; E247-H449 IonicContact OE2-CD2 2.87Å; E247-H449 PolarHBondContact OE2-CD2 3.36Å; E247-H449 IonicContact OE2-NE2 3.48Å; E247-H449 PolarHBondContact OE2-NE2 3.36Å; N445-H449 PolarHBondContact O-N 2.97Å; K446-H449 PolarHBondContact O-N 2.99Å; K446-H449 VanDerWaalsContact O-N 3.07Å; I447-H449 PolarHBondContact O-N 3.46Å; H449-R576 WeakPolarHBondContact O-CD 3.4Å; H449-R576 PolarHBondContact O-NH1 3.09Å
450	S	93.2	Very high	90	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-96.4	-24.6	-168.4	64.8	0	0	0	0	114.6	K446 I447 F575 R576	K446-S450 PolarHBondContact O-N 3.41Å; K446-S450 PolarHBondContact O-OG 2.86Å; I447-S450 PolarHBondContact O-N 3.04Å; S450-F575 CarbonylContact O-C 3.53Å; S450-F575 VanDerWaalsContact O-CA 3.31Å; S450-F575 WeakPolarHBondContact O-CA 3.45Å; S450-R576 PolarHBondContact O-N 2.99Å
451	Y	94.4	Very high	89.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.008	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-91	136.9	-175.8	-171.5	-124.1	0	0	0	111.7	I447 G453 M463 M473 Q573 F575	I447-Y451 HydrophobicContact CG2-CD1 4.31Å; I447-Y451 HydrophobicContact CG2-CG 4.36Å; I447-Y451 VanDerWaalsContact O-CB 3.26Å; I447-Y451 WeakPolarHBondContact O-CB 2.98Å; I447-Y451 PolarHBondContact O-N 2.86Å; Y451-G453 VanDerWaalsContact CE1-CA 3.45Å; Y451-M463 HydrophobicContact CD1-CE 3.68Å; Y451-M463 HydrophobicContact CD2-CE 3.92Å; Y451-M463 HydrophobicContact CE1-CE 3.65Å; Y451-M463 HydrophobicContact CE2-CE 3.89Å; Y451-M463 HydrophobicContact CG-CE 3.84Å; Y451-M473 HydrophobicContact CE2-CE 3.97Å; Y451-Q573 HydrophobicContact CE2-CB 4.19Å; Y451-Q573 WeakPolarHBondContact CE2-O 3.45Å; Y451-Q573 PolarHBondContact OH-N 3.28Å; Y451-Q573 VanDerWaalsContact OH-N 3.1Å; Y451-F575 HydrophobicContact CD2-CD1 4.02Å; Y451-F575 AromaticContact CD2-CE1 3.79Å; Y451-F575 HydrophobicContact CD2-CE1 3.79Å; Y451-F575 HydrophobicContact CD2-CZ 4.11Å; Y451-F575 HydrophobicContact CG-CE1 4.21Å
452	T	90.1	Very high	89.6	Confident	58 Å²	58	47.6 Å²	47.6	36%	0.356	26%	0.26	S	S	.	.	S	Bend	trans	-78.2	-30.1	179.7	61	0	0	0	0	113	G454 Q573 I574 R576	T452-G454 PolarHBondContact O-N 3.05Å; T452-Q573 WeakPolarHBondContact OG1-CB 3.31Å; T452-Q573 PolarHBondContact OG1-OE1 3.43Å; T452-I574 HydrophobicContact CG2-CG1 4.14Å; T452-I574 WeakPolarHBondContact CG2-O 3.45Å; T452-I574 PolarHBondContact N-O 3.42Å; T452-I574 VanDerWaalsContact N-O 3.14Å; T452-I574 PolarHBondContact OG1-O 3.04Å; T452-R576 HydrophobicContact CG2-CG 3.75Å
453	G	83.4	Confident	89.6	Confident	21 Å²	21	47.3 Å²	47.3	22%	0.216	26%	0.257	C	S	.	.	S	Bend	trans	-74.7	-6.7	-177.5	0	0	0	0	0	115	Y451 Q573	Y451-G453 VanDerWaalsContact CE1-CA 3.45Å; G453-Q573 VanDerWaalsContact CA-CD 3.43Å; G453-Q573 VanDerWaalsContact CA-OE1 3.23Å; G453-Q573 VanDerWaalsContact N-OE1 3.08Å
454	G	82.8	Confident	89.6	Confident	26 Å²	26	48.3 Å²	48.3	27%	0.268	27%	0.265	S	S	.	.			trans	72.2	171.7	179.4	0	0	0	0	0	114.4	T452 D456 S457	T452-G454 PolarHBondContact O-N 3.05Å; G454-D456 VanDerWaalsContact C-N 3.35Å; G454-S457 PolarHBondContact O-OG 3.19Å; G454-S457 VanDerWaalsContact O-OG 3.04Å
455	L	84.2	Confident	89.6	Confident	45 Å²	45	47.7 Å²	47.7	24%	0.236	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.5	-179	-73.1	174	0	0	0	113.6	K444 I447 E448 S457 A464	K444-L455 HydrophobicContact CG-CD1 4.19Å; K444-L455 HydrophobicContact CG-CD2 4.43Å; I447-L455 HydrophobicContact CB-CD2 4.04Å; I447-L455 HydrophobicContact CG2-CD2 3.83Å; E448-L455 HydrophobicContact CB-CD1 3.83Å; E448-L455 HydrophobicContact CB-CG 4.15Å; E448-L455 HydrophobicContact CG-CD1 3.88Å; E448-L455 HydrophobicContact CG-CG 4.41Å; L455-S457 PolarHBondContact O-N 3.38Å; L455-A464 HydrophobicContact CD2-CB 4.35Å
456	D	81.8	Confident	89.8	Confident	168 Å²	168	43.6 Å²	43.6	90%	0.898	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6	-174.3	-58.6	-38.4	0	0	0	113.2	G454	G454-D456 VanDerWaalsContact C-N 3.35Å
457	S	84.7	Confident	89.7	Confident	31 Å²	31	45.9 Å²	45.9	22%	0.217	26%	0.256	C	S	.	.	S	Bend	trans	-82.8	150.2	175.9	62.6	0	0	0	0	111.1	G454 L455 L459 G460 E461	G454-S457 PolarHBondContact O-OG 3.19Å; G454-S457 VanDerWaalsContact O-OG 3.04Å; L455-S457 PolarHBondContact O-N 3.38Å; S457-L459 PolarHBondContact O-N 2.88Å; S457-G460 VanDerWaalsContact O-CA 3.31Å; S457-G460 WeakPolarHBondContact O-CA 3.23Å; S457-G460 PolarHBondContact O-N 3.05Å; S457-G460 PolarHBondContact OG-N 3.22Å; S457-G460 VanDerWaalsContact OG-N 3.08Å; S457-E461 PolarHBondContact O-N 3.2Å
458	D	83.9	Confident	89.6	Confident	142 Å²	142	47.4 Å²	47.4	76%	0.759	27%	0.265	S	S	*	.	H	α-helix	trans	-55.5	-37.3	176.8	-66.9	-8.1	0	0	0	111.6	A462	D458-A462 PolarHBondContact O-N 3.48Å; D458-A462 VanDerWaalsContact O-N 3.15Å
459	L	88.3	Confident	89.7	Confident	19 Å²	19	50.6 Å²	50.6	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-37.4	172.9	-68.7	174.9	0	0	0	112.3	S457 M463 P471 A572	S457-L459 PolarHBondContact O-N 2.88Å; L459-M463 HydrophobicContact CB-CE 4.25Å; L459-M463 WeakPolarHBondContact O-CB 3.41Å; L459-M463 VanDerWaalsContact O-CE 3.3Å; L459-M463 WeakPolarHBondContact O-CE 3.27Å; L459-M463 VanDerWaalsContact O-CG 3.24Å; L459-M463 WeakPolarHBondContact O-CG 3.23Å; L459-M463 PolarHBondContact O-N 2.87Å; L459-P471 HydrophobicContact CD2-CB 3.84Å; L459-P471 HydrophobicContact CD2-CG 3.59Å; L459-A572 HydrophobicContact CD1-CB 3.92Å
460	G	89.8	Confident	89.7	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-42.1	176.6	0	0	0	0	0	112.6	S457 A464	S457-G460 VanDerWaalsContact O-CA 3.31Å; S457-G460 WeakPolarHBondContact O-CA 3.23Å; S457-G460 PolarHBondContact O-N 3.05Å; S457-G460 PolarHBondContact OG-N 3.22Å; S457-G460 VanDerWaalsContact OG-N 3.08Å; G460-A464 VanDerWaalsContact O-CB 3.28Å; G460-A464 WeakPolarHBondContact O-CB 3.21Å; G460-A464 PolarHBondContact O-N 3.26Å
461	E	90.1	Very high	89.8	Confident	122 Å²	122	51.5 Å²	51.5	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-67.2	-48.2	175.9	-171.2	167.8	-157.6	0	0	111.3	S457 M463 A464 E465	S457-E461 PolarHBondContact O-N 3.2Å; E461-M463 VanDerWaalsContact C-N 3.33Å; E461-M463 PolarHBondContact O-N 2.68Å; E461-A464 WeakPolarHBondContact O-CB 3.38Å; E461-A464 PolarHBondContact O-N 3.11Å; E461-E465 PolarHBondContact O-N 3.09Å
462	A	89.9	Confident	89.8	Confident	19 Å²	19	51.4 Å²	51.4	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-42.7	177.3	0	0	0	0	0	112.8	D458 A464 E465 C466 P471	D458-A462 PolarHBondContact O-N 3.48Å; D458-A462 VanDerWaalsContact O-N 3.15Å; A462-A464 VanDerWaalsContact C-N 3.34Å; A462-E465 PolarHBondContact O-N 2.85Å; A462-C466 PolarHBondContact O-N 2.93Å; A462-P471 HydrophobicContact CB-CG 3.96Å
463	M	94.2	Very high	90.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-32.6	174.4	-71.6	-174.2	-70.8	0	0	112.9	A443 I447 Y451 L459 E461 E465 C466 M473 L495 F575	A443-M463 WeakPolarHBondContact CB-O 3.45Å; I447-M463 HydrophobicContact CD1-CB 3.76Å; I447-M463 HydrophobicContact CD1-CE 4.45Å; I447-M463 HydrophobicContact CD1-CG 4.38Å; I447-M463 HydrophobicContact CD1-SD 3.9Å; I447-M463 HydrophobicContact CG1-CB 3.82Å; I447-M463 HydrophobicContact CG2-CE 4.23Å; Y451-M463 HydrophobicContact CD1-CE 3.68Å; Y451-M463 HydrophobicContact CD2-CE 3.92Å; Y451-M463 HydrophobicContact CE1-CE 3.65Å; Y451-M463 HydrophobicContact CE2-CE 3.89Å; Y451-M463 HydrophobicContact CG-CE 3.84Å; L459-M463 HydrophobicContact CB-CE 4.25Å; L459-M463 WeakPolarHBondContact O-CB 3.41Å; L459-M463 VanDerWaalsContact O-CE 3.3Å; L459-M463 WeakPolarHBondContact O-CE 3.27Å; L459-M463 VanDerWaalsContact O-CG 3.24Å; L459-M463 WeakPolarHBondContact O-CG 3.23Å; L459-M463 PolarHBondContact O-N 2.87Å; E461-M463 VanDerWaalsContact C-N 3.33Å; E461-M463 PolarHBondContact O-N 2.68Å; M463-E465 VanDerWaalsContact C-N 3.34Å; M463-C466 PolarHBondContact O-N 2.95Å; M463-M473 HydrophobicContact CG-CB 4.09Å; M463-M473 HydrophobicContact CG-CG 4.22Å; M463-M473 HydrophobicContact SD-CB 3.75Å; M463-M473 HydrophobicContact SD-CE 4.16Å; M463-M473 HydrophobicContact SD-CG 3.89Å; M463-L495 HydrophobicContact CG-CB 4.45Å; M463-F575 HydrophobicContact SD-CE1 4.27Å; M463-F575 HydrophobicContact SD-CZ 3.63Å
464	A	94.2	Very high	90.8	Very high	22 Å²	22	47.6 Å²	47.6	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-29.8	177.3	0	0	0	0	0	112.6	A443 K444 L455 G460 E461 A462 C466	A443-A464 WeakPolarHBondContact CB-O 3.42Å; K444-A464 HydrophobicContact CB-CB 4.39Å; L455-A464 HydrophobicContact CD2-CB 4.35Å; G460-A464 VanDerWaalsContact O-CB 3.28Å; G460-A464 WeakPolarHBondContact O-CB 3.21Å; G460-A464 PolarHBondContact O-N 3.26Å; E461-A464 WeakPolarHBondContact O-CB 3.38Å; E461-A464 PolarHBondContact O-N 3.11Å; A462-A464 VanDerWaalsContact C-N 3.34Å; A464-C466 VanDerWaalsContact C-N 3.31Å
465	E	93.8	Very high	91.5	Very high	110 Å²	110	46.6 Å²	46.6	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-77.9	-17.6	173	-66.1	-170.2	158.3	0	0	113	Q440 E461 A462 M463 D467	Q440-E465 PolarHBondContact NE2-O 3.05Å; E461-E465 PolarHBondContact O-N 3.09Å; A462-E465 PolarHBondContact O-N 2.85Å; M463-E465 VanDerWaalsContact C-N 3.34Å; E465-D467 VanDerWaalsContact C-N 3.28Å; E465-D467 PolarHBondContact O-N 3.39Å
466	C	94.8	Very high	92.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.5	-177.4	-168.3	0	0	0	0	111.6	Q440 A443 A462 M463 A464 P468	Q440-C466 HydrophobicContact CB-CB 4.34Å; A443-C466 HydrophobicContact CB-CB 4.26Å; A462-C466 PolarHBondContact O-N 2.93Å; M463-C466 PolarHBondContact O-N 2.95Å; A464-C466 VanDerWaalsContact C-N 3.31Å; C466-P468 WeakPolarHBondContact O-CD 3.14Å
467	D	92.3	Very high	92.9	Very high	61 Å²	61	36.5 Å²	36.5	33%	0.326	20%	0.204	S	C	.	.			trans	-76.2	120.5	-175.6	-175.1	6.3	0	0	0	111.8	E465 D469 G470 G497	E465-D467 VanDerWaalsContact C-N 3.28Å; E465-D467 PolarHBondContact O-N 3.39Å; D467-D469 PolarHBondContact O-N 2.76Å; D467-D469 PolarHBondContact OD1-N 3.09Å; D467-G470 PolarHBondContact O-N 2.99Å; D467-G497 PolarHBondContact O-N 2.87Å
468	P	93.7	Very high	93.4	Very high	31 Å²	31	35.2 Å²	35.2	20%	0.201	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.2	174.7	-22.4	35.2	0	0	0	115.2	P124 C466 G497 T498 P543 A544	P124-P468 HydrophobicContact CG-CG 4.45Å; C466-P468 WeakPolarHBondContact O-CD 3.14Å; P468-G497 CarbonylContact O-C 3.54Å; P468-G497 WeakPolarHBondContact O-CA 3.48Å; P468-T498 PolarHBondContact O-N 3.43Å; P468-T498 PolarHBondContact O-OG1 2.91Å; P468-P543 HydrophobicContact CB-CB 3.95Å; P468-P543 HydrophobicContact CG-CB 4.37Å; P468-A544 HydrophobicContact CG-CB 4.41Å
469	D	93.6	Very high	94	Very high	151 Å²	151	28.5 Å²	28.5	81%	0.807	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0.8	180	-68	-39.8	0	0	0	112.6	D467	D467-D469 PolarHBondContact O-N 2.76Å; D467-D469 PolarHBondContact OD1-N 3.09Å
470	G	91.4	Very high	94.4	Very high	17 Å²	17	28.9 Å²	28.9	18%	0.175	16%	0.158	C	C	.	.	S	Bend	trans	-75.6	-177.5	177	0	0	0	0	0	114.3	D467 L472 G497	D467-G470 PolarHBondContact O-N 2.99Å; G470-L472 PolarHBondContact O-N 3.25Å; G470-G497 WeakPolarHBondContact O-CA 3.28Å
471	P	93.5	Very high	94.6	Very high	34 Å²	34	30.1 Å²	30.1	22%	0.221	17%	0.167	C	C	.	.			trans	-61.3	133.4	175.4	24.9	-32.4	0	0	0	110.6	L459 A462 M473 S496	L459-P471 HydrophobicContact CD2-CB 3.84Å; L459-P471 HydrophobicContact CD2-CG 3.59Å; A462-P471 HydrophobicContact CB-CG 3.96Å; P471-M473 PolarHBondContact O-N 3.24Å; P471-S496 CarbonylContact O-C 3.44Å; P471-S496 VanDerWaalsContact O-C 3.3Å; P471-S496 WeakPolarHBondContact O-CB 3.24Å; P471-S496 PolarHBondContact O-OG 2.58Å
472	L	95.9	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.			trans	-62.5	120.1	179.6	178.9	62.5	0	0	0	111	G470 V494 S496 I499 V505 T564 E565	G470-L472 PolarHBondContact O-N 3.25Å; L472-V494 HydrophobicContact CD1-CG1 4.17Å; L472-S496 WeakPolarHBondContact CA-O 3.26Å; L472-I499 HydrophobicContact CD1-CB 4.02Å; L472-I499 HydrophobicContact CD2-CG1 4.48Å; L472-V505 HydrophobicContact CD2-CG1 3.99Å; L472-T564 WeakPolarHBondContact O-CA 3.33Å; L472-T564 PolarHBondContact O-OG1 3.42Å; L472-E565 HydrophobicContact CB-CG 3.88Å; L472-E565 VanDerWaalsContact CB-OE1 3.28Å; L472-E565 WeakPolarHBondContact CB-OE1 3.45Å; L472-E565 PolarHBondContact N-OE1 2.64Å
473	M	96.5	Very high	94.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	116.7	169	-69.6	-65.3	-71.5	0	0	108.7	Y451 M463 P471 L495 S496 T562 I563 T564 A572 F575	Y451-M473 HydrophobicContact CE2-CE 3.97Å; M463-M473 HydrophobicContact CG-CB 4.09Å; M463-M473 HydrophobicContact CG-CG 4.22Å; M463-M473 HydrophobicContact SD-CB 3.75Å; M463-M473 HydrophobicContact SD-CE 4.16Å; M463-M473 HydrophobicContact SD-CG 3.89Å; P471-M473 PolarHBondContact O-N 3.24Å; M473-L495 PolarHBondContact O-N 2.97Å; M473-S496 PolarHBondContact N-O 3.36Å; M473-S496 PolarHBondContact O-N 2.94Å; M473-T562 HydrophobicContact CE-CG2 3.64Å; M473-I563 WeakPolarHBondContact CA-O 3.45Å; M473-T564 PolarHBondContact SD-OG1 2.97Å; M473-T564 VanDerWaalsContact SD-OG1 3.39Å; M473-A572 HydrophobicContact SD-CB 4.37Å; M473-F575 HydrophobicContact CE-CE2 4.22Å; M473-F575 HydrophobicContact CE-CZ 4.49Å
474	C	97.2	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.7	176.1	173.3	0	0	0	0	110.1	R493 V494 T562 I563	C474-R493 CarbonylContact C-O 3.58Å; C474-R493 VanDerWaalsContact CA-O 3.32Å; C474-R493 WeakPolarHBondContact CA-O 3.49Å; C474-R493 PolarHBondContact SG-O 2.89Å; C474-R493 VanDerWaalsContact SG-O 3.41Å; C474-V494 HydrophobicContact CB-CG2 4.47Å; C474-T562 CarbonylContact O-C 3.59Å; C474-T562 WeakPolarHBondContact O-CA 3.41Å; C474-I563 HydrophobicContact CB-CB 4.12Å; C474-I563 PolarHBondContact N-O 3.16Å; C474-I563 PolarHBondContact O-N 3.11Å
475	H	97.8	Very high	93.8	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.5	176.5	-176.5	30.5	0	0	0	110.2	R218 L219 T477 G492 R493 L495 A561 F575	R218-H475 WeakPolarHBondContact CG-NE2 3.27Å; L219-H475 WeakPolarHBondContact CD2-O 3.33Å; H475-T477 VanDerWaalsContact NE2-CG2 3.34Å; H475-T477 WeakPolarHBondContact NE2-CG2 3.45Å; H475-G492 CarbonylContact O-C 3.34Å; H475-G492 WeakPolarHBondContact O-CA 3.3Å; H475-R493 PolarHBondContact N-O 3.27Å; H475-R493 PolarHBondContact O-N 3.08Å; H475-L495 HydrophobicContact CB-CD1 3.99Å; H475-A561 PolarHBondContact ND1-O 3.42Å; H475-F575 HydrophobicContact CB-CD2 3.52Å; H475-F575 HydrophobicContact CB-CE2 3.79Å; H475-F575 HydrophobicContact CB-CG 4.08Å; H475-F575 AromaticContact CG-CD2 3.63Å; H475-F575 AromaticContact CG-CG 3.79Å; H475-F575 AromaticContact ND1-CD2 3.82Å; H475-F575 AromaticContact ND1-CG 3.99Å
476	T	97.6	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.4	176.3	61.9	0	0	0	0	110.5	A490 F491 I550 T560 A561 I563	T476-A490 HydrophobicContact CG2-CB 4.02Å; T476-F491 WeakPolarHBondContact CA-O 3.49Å; T476-I550 HydrophobicContact CG2-CD1 4.27Å; T476-T560 VanDerWaalsContact O-CA 3.32Å; T476-T560 WeakPolarHBondContact O-CA 3.45Å; T476-T560 WeakPolarHBondContact O-CB 3.1Å; T476-A561 PolarHBondContact N-O 3.44Å; T476-A561 PolarHBondContact O-N 2.84Å; T476-A561 VanDerWaalsContact O-N 3.08Å; T476-A561 PolarHBondContact OG1-N 3.07Å; T476-A561 PolarHBondContact OG1-O 3.38Å; T476-I563 HydrophobicContact CG2-CD1 3.65Å; T476-I563 HydrophobicContact CG2-CG1 4.29Å
477	T	96.9	Very high	93.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-12.3	-174	58.7	0	0	0	0	113.9	S215 R218 L219 H475 F491 T560 L578	S215-T477 PolarHBondContact O-OG1 3.33Å; S215-T477 PolarHBondContact OG-O 3.32Å; R218-T477 HydrophobicContact CB-CG2 4.22Å; R218-T477 HydrophobicContact CG-CG2 3.99Å; L219-T477 WeakPolarHBondContact CD1-OG1 3.21Å; L219-T477 HydrophobicContact CD2-CG2 3.75Å; L219-T477 HydrophobicContact CG-CG2 4.08Å; L219-T477 VanDerWaalsContact CG-OG1 3.27Å; L219-T477 WeakPolarHBondContact CG-OG1 3.35Å; H475-T477 VanDerWaalsContact NE2-CG2 3.34Å; H475-T477 WeakPolarHBondContact NE2-CG2 3.45Å; T477-F491 PolarHBondContact N-O 3.25Å; T477-T560 HydrophobicContact CG2-CG2 4.44Å; T477-L578 HydrophobicContact CG2-CD2 4.19Å
478	K	96.6	Very high	93.4	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.7	-179.5	-83.5	-65.1	-61.5	172.5	0	110.1	E212 Y480 F491 S611 P613	E212-K478 IonicContact OE1-NZ 3.08Å; E212-K478 PolarHBondContact OE1-NZ 2.74Å; E212-K478 WeakPolarHBondContact OE2-CD 3.43Å; E212-K478 WeakPolarHBondContact OE2-CE 3.21Å; E212-K478 IonicContact OE2-NZ 2.73Å; E212-K478 PolarHBondContact OE2-NZ 3.1Å; K478-Y480 HydrophobicContact CB-CE2 4.11Å; K478-F491 HydrophobicContact CB-CB 4.09Å; K478-F491 HydrophobicContact CB-CD1 4.32Å; K478-F491 PolarHBondContact N-O 3.23Å; K478-F491 WeakPolarHBondContact O-CA 3.37Å; K478-F491 WeakPolarHBondContact O-CB 3.42Å; K478-F491 PolarHBondContact O-N 3.46Å; K478-S611 PolarHBondContact NZ-O 3.08Å; K478-P613 HydrophobicContact CD-CG 4.05Å
479	M	96.4	Very high	93.5	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.4	171.2	-54.3	-58.8	-72.3	0	0	107.9	F488 A490 D554 I557 K610	M479-F488 HydrophobicContact CB-CB 4.35Å; M479-F488 HydrophobicContact CB-CD1 3.78Å; M479-F488 HydrophobicContact CB-CG 4.43Å; M479-F488 HydrophobicContact CE-CB 4.01Å; M479-A490 HydrophobicContact CE-CB 3.95Å; M479-A490 HydrophobicContact SD-CB 3.79Å; M479-D554 HydrophobicContact CE-CB 3.58Å; M479-I557 HydrophobicContact CE-CB 4.1Å; M479-I557 HydrophobicContact CE-CD1 4.46Å; M479-I557 HydrophobicContact CE-CG2 4.24Å; M479-I557 HydrophobicContact CG-CG2 4.42Å; M479-I557 HydrophobicContact SD-CB 4.2Å; M479-I557 HydrophobicContact SD-CD1 4.45Å; M479-I557 HydrophobicContact SD-CG2 3.69Å; M479-K610 HydrophobicContact CB-CB 4.15Å; M479-K610 WeakPolarHBondContact CB-O 3.13Å; M479-K610 HydrophobicContact CG-CB 4.16Å
480	Y	96.1	Very high	93.7	Very high	27 Å²	27	21.8 Å²	21.8	11%	0.106	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.9	174.4	-68.8	-69.4	0	0	0	109.7	S181 P183 K478 F488 H489 F491 L549	S181-Y480 WeakPolarHBondContact O-CE1 3.38Å; S181-Y480 VanDerWaalsContact O-CZ 3.29Å; S181-Y480 PolarHBondContact O-OH 3.43Å; S181-Y480 PolarHBondContact OG-OH 3.46Å; P183-Y480 WeakPolarHBondContact CD-OH 3.39Å; P183-Y480 HydrophobicContact CG-CE2 4.14Å; K478-Y480 HydrophobicContact CB-CE2 4.11Å; Y480-F488 CarbonylContact O-C 3.52Å; Y480-F488 VanDerWaalsContact O-CA 3.32Å; Y480-F488 WeakPolarHBondContact O-CA 3.42Å; Y480-H489 PolarHBondContact N-O 2.91Å; Y480-H489 PolarHBondContact O-N 3.36Å; Y480-F491 HydrophobicContact CD2-CB 3.66Å; Y480-F491 HydrophobicContact CD2-CG 4.14Å; Y480-F491 HydrophobicContact CE2-CB 3.49Å; Y480-F491 VanDerWaalsContact CE2-CB 3.49Å; Y480-F491 AromaticContact CE2-CD1 3.97Å; Y480-F491 HydrophobicContact CE2-CD1 3.97Å; Y480-F491 HydrophobicContact CE2-CD2 4.07Å; Y480-F491 AromaticContact CE2-CG 3.57Å; Y480-F491 HydrophobicContact CE2-CG 3.57Å; Y480-L549 HydrophobicContact CD2-CD2 3.63Å; Y480-L549 HydrophobicContact CE2-CD2 4.37Å
481	S	94.3	Very high	94	Very high	26 Å²	26	21.1 Å²	21.1	18%	0.182	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.1	172.7	-175.4	0	0	0	0	110.2	G485	S481-G485 WeakPolarHBondContact OG-CA 3.44Å
482	T	91.1	Very high	94.2	Very high	22 Å²	22	19.5 Å²	19.5	14%	0.135	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-68.6	166	166.2	50.4	0	0	0	0	111.4	D484 G485 Q487 H489	T482-D484 VanDerWaalsContact CB-OD1 3.26Å; T482-D484 WeakPolarHBondContact CB-OD1 3.29Å; T482-D484 PolarHBondContact O-N 3.16Å; T482-D484 VanDerWaalsContact O-N 3.16Å; T482-D484 PolarHBondContact OG1-OD1 2.85Å; T482-G485 PolarHBondContact O-N 2.64Å; T482-Q487 HydrophobicContact CG2-CB 3.92Å; T482-Q487 PolarHBondContact N-O 2.95Å; T482-Q487 PolarHBondContact OG1-N 2.82Å; T482-Q487 PolarHBondContact OG1-O 2.86Å; T482-H489 VanDerWaalsContact CG2-CE1 3.45Å; T482-H489 WeakPolarHBondContact CG2-CE1 3.35Å; T482-H489 VanDerWaalsContact CG2-NE2 3.35Å; T482-H489 WeakPolarHBondContact CG2-NE2 3.41Å
483	E	86.9	Confident	94.3	Very high	58 Å²	58	19.7 Å²	19.7	27%	0.271	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.8	-175.3	-51.3	-175.5	-165.5	0	0	113.8	F100 T101 M103	F100-E483 VanDerWaalsContact CD2-O 3.29Å; F100-E483 WeakPolarHBondContact CD2-O 3.36Å; F100-E483 PolarHBondContact N-O 3.19Å; T101-E483 WeakPolarHBondContact OG1-CA 3.33Å; T101-E483 WeakPolarHBondContact OG1-CG 3.27Å; M103-E483 HydrophobicContact CB-CG 4.19Å; M103-E483 WeakPolarHBondContact CB-OE1 3.46Å; M103-E483 HydrophobicContact CG-CG 3.84Å; M103-E483 WeakPolarHBondContact CG-OE1 3.41Å
484	D	86.6	Confident	94.4	Very high	66 Å²	66	19.7 Å²	19.7	35%	0.353	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	-179.1	66.4	-20.5	0	0	0	113.6	T482 V486	T482-D484 VanDerWaalsContact CB-OD1 3.26Å; T482-D484 WeakPolarHBondContact CB-OD1 3.29Å; T482-D484 PolarHBondContact O-N 3.16Å; T482-D484 VanDerWaalsContact O-N 3.16Å; T482-D484 PolarHBondContact OG1-OD1 2.85Å; D484-V486 VanDerWaalsContact C-N 3.3Å; D484-V486 HydrophobicContact CB-CG2 4.41Å; D484-V486 PolarHBondContact O-N 2.82Å; D484-V486 PolarHBondContact OD1-N 3.45Å; D484-V486 WeakPolarHBondContact OD2-CG2 3.48Å
485	G	86	Confident	94.4	Very high	2 Å²	2	20 Å²	20	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	77.3	8.3	179	0	0	0	0	0	115.1	S481 T482 Y646	S481-G485 WeakPolarHBondContact OG-CA 3.44Å; T482-G485 PolarHBondContact O-N 2.64Å; G485-Y646 WeakPolarHBondContact O-CD1 3.39Å
486	V	87.8	Confident	94.3	Very high	83 Å²	83	19.8 Å²	19.8	50%	0.503	10%	0.104	S	C	.	.	S	Bend	trans	-94.2	-48.5	-172.6	-179	0	0	0	0	111.8	D484	D484-V486 VanDerWaalsContact C-N 3.3Å; D484-V486 HydrophobicContact CB-CG2 4.41Å; D484-V486 PolarHBondContact O-N 2.82Å; D484-V486 PolarHBondContact OD1-N 3.45Å; D484-V486 WeakPolarHBondContact OD2-CG2 3.48Å
487	Q	90	Very high	94.2	Very high	94 Å²	94	19.9 Å²	19.9	44%	0.439	11%	0.105	S	C	.	.			trans	-105.6	159.1	-175.2	-64.7	-179.4	-11.1	0	0	110.9	T482	T482-Q487 HydrophobicContact CG2-CB 3.92Å; T482-Q487 PolarHBondContact N-O 2.95Å; T482-Q487 PolarHBondContact OG1-N 2.82Å; T482-Q487 PolarHBondContact OG1-O 2.86Å
488	F	95.3	Very high	94.2	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.1	171.4	-71.9	-100.4	0	0	0	110.1	M479 Y480 D554 K607 K610 Y646	M479-F488 HydrophobicContact CB-CB 4.35Å; M479-F488 HydrophobicContact CB-CD1 3.78Å; M479-F488 HydrophobicContact CB-CG 4.43Å; M479-F488 HydrophobicContact CE-CB 4.01Å; Y480-F488 CarbonylContact O-C 3.52Å; Y480-F488 VanDerWaalsContact O-CA 3.32Å; Y480-F488 WeakPolarHBondContact O-CA 3.42Å; F488-D554 HydrophobicContact CB-CB 3.9Å; F488-D554 WeakPolarHBondContact O-CB 2.91Å; F488-K607 HydrophobicContact CE2-CB 3.87Å; F488-K607 HydrophobicContact CE2-CD 4.23Å; F488-K607 HydrophobicContact CE2-CG 3.72Å; F488-K607 HydrophobicContact CZ-CB 3.83Å; F488-K607 HydrophobicContact CZ-CG 4.22Å; F488-K610 HydrophobicContact CD1-CB 4.47Å; F488-K610 HydrophobicContact CE1-CB 4.35Å; F488-Y646 HydrophobicContact CE1-CE1 4.5Å; F488-Y646 HydrophobicContact CE2-CE1 4.22Å; F488-Y646 HydrophobicContact CZ-CD1 4.48Å; F488-Y646 AromaticContact CZ-CE1 3.61Å; F488-Y646 HydrophobicContact CZ-CE1 3.61Å; F488-Y646 AromaticContact CZ-CZ 3.72Å
489	H	96.4	Very high	94.2	Very high	13 Å²	13	20.7 Å²	20.7	6%	0.06	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124	169.1	-61.2	-19.9	0	0	0	108.1	Y480 T482 F491 W529 L549 I550	Y480-H489 PolarHBondContact N-O 2.91Å; Y480-H489 PolarHBondContact O-N 3.36Å; T482-H489 VanDerWaalsContact CG2-CE1 3.45Å; T482-H489 WeakPolarHBondContact CG2-CE1 3.35Å; T482-H489 VanDerWaalsContact CG2-NE2 3.35Å; T482-H489 WeakPolarHBondContact CG2-NE2 3.41Å; H489-F491 PolarHBondContact O-N 3.16Å; H489-W529 AromaticContact CD2-CZ3 3.68Å; H489-W529 AromaticContact CE1-CH2 3.71Å; H489-W529 AromaticContact CE1-CZ3 3.82Å; H489-W529 AromaticContact CG-CZ3 3.86Å; H489-W529 AromaticContact ND1-CZ3 3.94Å; H489-W529 AromaticContact NE2-CH2 3.57Å; H489-W529 AromaticContact NE2-CZ3 3.67Å; H489-L549 HydrophobicContact CB-CB 4.43Å; H489-L549 HydrophobicContact CB-CD2 4.04Å; H489-I550 WeakPolarHBondContact CA-O 3.29Å
490	A	97.3	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.7	177.4	0	0	0	0	0	108.7	T476 M479 L549 I550 I557	T476-A490 HydrophobicContact CG2-CB 4.02Å; M479-A490 HydrophobicContact CE-CB 3.95Å; M479-A490 HydrophobicContact SD-CB 3.79Å; A490-L549 CarbonylContact O-C 3.44Å; A490-L549 WeakPolarHBondContact O-CA 3.46Å; A490-I550 HydrophobicContact CB-CB 4.42Å; A490-I550 PolarHBondContact N-O 2.68Å; A490-I550 PolarHBondContact O-N 2.74Å; A490-I557 HydrophobicContact CB-CD1 3.88Å
491	F	98.2	Very high	94.3	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129	178.4	-175.7	-101	0	0	0	110.6	P183 M201 L219 T476 T477 K478 Y480 H489 W547 V548 L549	P183-F491 HydrophobicContact CB-CE1 4.21Å; P183-F491 HydrophobicContact CB-CE2 3.88Å; P183-F491 HydrophobicContact CB-CZ 3.47Å; P183-F491 VanDerWaalsContact CB-CZ 3.47Å; P183-F491 HydrophobicContact CG-CD2 4.21Å; P183-F491 HydrophobicContact CG-CE1 4.27Å; P183-F491 HydrophobicContact CG-CE2 3.61Å; P183-F491 HydrophobicContact CG-CZ 3.64Å; M201-F491 HydrophobicContact CE-CD1 4.08Å; M201-F491 HydrophobicContact CE-CE1 3.28Å; M201-F491 HydrophobicContact CE-CZ 3.9Å; L219-F491 HydrophobicContact CD1-CD1 3.62Å; L219-F491 HydrophobicContact CD1-CE1 3.51Å; T476-F491 WeakPolarHBondContact CA-O 3.49Å; T477-F491 PolarHBondContact N-O 3.25Å; K478-F491 HydrophobicContact CB-CB 4.09Å; K478-F491 HydrophobicContact CB-CD1 4.32Å; K478-F491 PolarHBondContact N-O 3.23Å; K478-F491 WeakPolarHBondContact O-CA 3.37Å; K478-F491 WeakPolarHBondContact O-CB 3.42Å; K478-F491 PolarHBondContact O-N 3.46Å; Y480-F491 HydrophobicContact CD2-CB 3.66Å; Y480-F491 HydrophobicContact CD2-CG 4.14Å; Y480-F491 HydrophobicContact CE2-CB 3.49Å; Y480-F491 VanDerWaalsContact CE2-CB 3.49Å; Y480-F491 AromaticContact CE2-CD1 3.97Å; Y480-F491 HydrophobicContact CE2-CD1 3.97Å; Y480-F491 HydrophobicContact CE2-CD2 4.07Å; Y480-F491 AromaticContact CE2-CG 3.57Å; Y480-F491 HydrophobicContact CE2-CG 3.57Å; H489-F491 PolarHBondContact O-N 3.16Å; F491-W547 HydrophobicContact CE1-CD2 4.28Å; F491-W547 HydrophobicContact CE1-CE3 4.22Å; F491-W547 HydrophobicContact CE1-CG 4.44Å; F491-W547 HydrophobicContact CE2-CB 3.93Å; F491-W547 HydrophobicContact CZ-CB 3.63Å; F491-W547 AromaticContact CZ-CD2 3.82Å; F491-W547 HydrophobicContact CZ-CD2 3.82Å; F491-W547 AromaticContact CZ-CE3 3.59Å; F491-W547 HydrophobicContact CZ-CE3 3.59Å; F491-W547 AromaticContact CZ-CG 3.88Å; F491-W547 HydrophobicContact CZ-CG 3.88Å; F491-W547 HydrophobicContact CZ-CZ3 4.49Å; F491-V548 WeakPolarHBondContact CA-O 3.43Å; F491-V548 WeakPolarHBondContact CD2-O 3.46Å; F491-L549 HydrophobicContact CB-CD2 3.79Å; F491-L549 HydrophobicContact CD2-CD2 3.6Å; F491-L549 HydrophobicContact CD2-CG 3.94Å; F491-L549 HydrophobicContact CG-CD2 4.15Å
492	G	97.4	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	-174.9	-174.9	0	0	0	0	0	113.8	H475 W547 V548	H475-G492 CarbonylContact O-C 3.34Å; H475-G492 WeakPolarHBondContact O-CA 3.3Å; G492-W547 CarbonylContact O-C 3.03Å; G492-W547 VanDerWaalsContact O-CA 3.25Å; G492-W547 WeakPolarHBondContact O-CA 3.5Å; G492-V548 PolarHBondContact N-O 2.98Å; G492-V548 PolarHBondContact O-N 2.9Å
493	R	98	Very high	94.6	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	175.5	175.3	174.7	168.2	-178.6	-2.7	110.1	N129 L219 D221 C474 H475 L495 N546	N129-R493 PolarHBondContact ND2-NH1 3.39Å; L219-R493 HydrophobicContact CD2-CB 3.94Å; L219-R493 VanDerWaalsContact O-CD 3.32Å; L219-R493 WeakPolarHBondContact O-CD 3.31Å; L219-R493 PolarHBondContact O-NH1 2.65Å; D221-R493 IonicContact OD1-CZ 3.63Å; D221-R493 IonicContact OD1-NH1 3.22Å; D221-R493 PolarHBondContact OD1-NH1 3.37Å; D221-R493 IonicContact OD1-NH2 3.69Å; D221-R493 PolarHBondContact OD1-NH2 2.84Å; D221-R493 VanDerWaalsContact OD1-NH2 3.08Å; D221-R493 IonicContact OD2-CZ 2.68Å; D221-R493 IonicContact OD2-NH1 2.85Å; D221-R493 PolarHBondContact OD2-NH1 3.2Å; D221-R493 IonicContact OD2-NH2 3.34Å; D221-R493 PolarHBondContact OD2-NH2 2.77Å; C474-R493 CarbonylContact C-O 3.58Å; C474-R493 VanDerWaalsContact CA-O 3.32Å; C474-R493 WeakPolarHBondContact CA-O 3.49Å; C474-R493 PolarHBondContact SG-O 2.89Å; C474-R493 VanDerWaalsContact SG-O 3.41Å; H475-R493 PolarHBondContact N-O 3.27Å; H475-R493 PolarHBondContact O-N 3.08Å; R493-L495 HydrophobicContact CG-CD2 4.35Å; R493-L495 HydrophobicContact CG-CG 4.42Å; R493-L495 PolarHBondContact O-N 2.82Å; R493-N546 WeakPolarHBondContact CA-O 3.36Å
494	V	98.1	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	119.5	167.7	-170.5	0	0	0	0	107.7	L472 C474 S496 G497 I499 V542 A544 G545 N546 V548	L472-V494 HydrophobicContact CD1-CG1 4.17Å; C474-V494 HydrophobicContact CB-CG2 4.47Å; V494-S496 WeakPolarHBondContact CG1-O 3.48Å; V494-G497 WeakPolarHBondContact CG1-O 3.47Å; V494-I499 HydrophobicContact CG2-CG2 3.88Å; V494-V542 HydrophobicContact CG2-CG1 4.21Å; V494-A544 HydrophobicContact CG1-CB 4.45Å; V494-G545 PolarHBondContact O-N 2.84Å; V494-N546 PolarHBondContact N-O 3.15Å; V494-V548 HydrophobicContact CG2-CG1 3.97Å
495	L	96.8	Very high	95.5	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-30	-177.7	-72.3	160.9	0	0	0	112	I447 M463 M473 H475 R493 F575	I447-L495 HydrophobicContact CD1-CD1 4.11Å; I447-L495 HydrophobicContact CD1-CD2 4.2Å; M463-L495 HydrophobicContact CG-CB 4.45Å; M473-L495 PolarHBondContact O-N 2.97Å; H475-L495 HydrophobicContact CB-CD1 3.99Å; R493-L495 HydrophobicContact CG-CD2 4.35Å; R493-L495 HydrophobicContact CG-CG 4.42Å; R493-L495 PolarHBondContact O-N 2.82Å; L495-F575 HydrophobicContact CD1-CD1 4.43Å; L495-F575 HydrophobicContact CD1-CE1 3.56Å; L495-F575 HydrophobicContact CD1-CE2 3.7Å; L495-F575 HydrophobicContact CD1-CZ 3.12Å; L495-F575 HydrophobicContact CG-CZ 4.47Å
496	S	95.8	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.2	173.6	173.9	0	0	0	0	109.1	P471 L472 M473 V494	P471-S496 CarbonylContact O-C 3.44Å; P471-S496 VanDerWaalsContact O-C 3.3Å; P471-S496 WeakPolarHBondContact O-CB 3.24Å; P471-S496 PolarHBondContact O-OG 2.58Å; L472-S496 WeakPolarHBondContact CA-O 3.26Å; M473-S496 PolarHBondContact N-O 3.36Å; M473-S496 PolarHBondContact O-N 2.94Å; V494-S496 WeakPolarHBondContact CG1-O 3.48Å
497	G	95.6	Very high	96.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	71.6	-165.6	-178.7	0	0	0	0	0	113.6	D467 P468 G470 V494 A544	D467-G497 PolarHBondContact O-N 2.87Å; P468-G497 CarbonylContact O-C 3.54Å; P468-G497 WeakPolarHBondContact O-CA 3.48Å; G470-G497 WeakPolarHBondContact O-CA 3.28Å; V494-G497 WeakPolarHBondContact CG1-O 3.47Å; G497-A544 PolarHBondContact O-N 2.87Å
498	T	97	Very high	96.7	Very high	22 Å²	22	18.8 Å²	18.8	14%	0.135	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.8	-179.4	-65.1	0	0	0	0	109.2	P468 R541 V542	P468-T498 PolarHBondContact O-N 3.43Å; P468-T498 PolarHBondContact O-OG1 2.91Å; T498-R541 HydrophobicContact CG2-CB 3.76Å; T498-R541 HydrophobicContact CG2-CG 4.19Å; T498-V542 WeakPolarHBondContact CA-O 3.32Å
499	I	97.1	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.9	174.2	-169.1	169.2	0	0	0	109.6	L472 V494 V525 L528 R541 V542 V548 I550	L472-I499 HydrophobicContact CD1-CB 4.02Å; L472-I499 HydrophobicContact CD2-CG1 4.48Å; V494-I499 HydrophobicContact CG2-CG2 3.88Å; I499-V525 HydrophobicContact CD1-CG2 3.91Å; I499-V525 HydrophobicContact CG1-CG2 4.12Å; I499-L528 HydrophobicContact CD1-CD2 4.02Å; I499-L528 HydrophobicContact CG1-CD1 4.33Å; I499-L528 HydrophobicContact CG1-CD2 4.21Å; I499-L528 HydrophobicContact CG2-CD1 3.89Å; I499-L528 HydrophobicContact CG2-CD2 4.22Å; I499-L528 WeakPolarHBondContact O-CD1 3.43Å; I499-R541 CarbonylContact O-C 3.46Å; I499-R541 WeakPolarHBondContact O-CA 3.41Å; I499-V542 HydrophobicContact CG2-CB 3.83Å; I499-V542 PolarHBondContact N-O 3.44Å; I499-V542 PolarHBondContact O-N 3.08Å; I499-V548 HydrophobicContact CG2-CG2 4.46Å; I499-I550 HydrophobicContact CD1-CD1 3.64Å; I499-I550 HydrophobicContact CD1-CG1 4.06Å; I499-I550 HydrophobicContact CD1-CG2 4.28Å
500	Q	97.1	Very high	96.4	Very high	107 Å²	107	21.3 Å²	21.3	50%	0.5	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.7	178.1	-59.4	-177.6	14.3	0	0	111.6	Q503 N540 R541	Q500-Q503 HydrophobicContact CB-CB 4.26Å; Q500-Q503 VanDerWaalsContact N-OE1 3.13Å; Q500-Q503 VanDerWaalsContact O-CB 3.23Å; Q500-Q503 WeakPolarHBondContact O-CB 3.16Å; Q500-Q503 PolarHBondContact O-N 3.02Å; Q500-N540 WeakPolarHBondContact CA-O 3.43Å; Q500-R541 HydrophobicContact CG-CB 4.17Å
501	A	97.3	Very high	96.1	Very high	41 Å²	41	27.3 Å²	27.3	34%	0.339	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	134.3	172.7	0	0	0	0	0	110.4	Q503 L528 N540	A501-Q503 VanDerWaalsContact C-N 3.31Å; A501-Q503 PolarHBondContact O-N 2.73Å; A501-L528 HydrophobicContact CB-CD1 4.45Å; A501-L528 HydrophobicContact CB-CG 4.39Å; A501-N540 PolarHBondContact N-O 3.01Å
502	G	95.5	Very high	95.9	Very high	50 Å²	50	27.4 Å²	27.4	52%	0.515	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-2.4	-174.6	0	0	0	0	0	115.8	V525 G526	G502-V525 WeakPolarHBondContact CA-O 3.4Å; G502-V525 PolarHBondContact N-O 3.45Å; G502-G526 PolarHBondContact N-O 2.67Å
503	Q	95.4	Very high	95.5	Very high	36 Å²	36	30.8 Å²	30.8	17%	0.168	18%	0.183	C	C	.	.			trans	-73.8	137.9	179.2	-176.9	-179.9	-8	0	0	111.5	Q500 A501 V505 V525	Q500-Q503 HydrophobicContact CB-CB 4.26Å; Q500-Q503 VanDerWaalsContact N-OE1 3.13Å; Q500-Q503 VanDerWaalsContact O-CB 3.23Å; Q500-Q503 WeakPolarHBondContact O-CB 3.16Å; Q500-Q503 PolarHBondContact O-N 3.02Å; A501-Q503 VanDerWaalsContact C-N 3.31Å; A501-Q503 PolarHBondContact O-N 2.73Å; Q503-V505 HydrophobicContact CG-CG1 4.42Å; Q503-V525 WeakPolarHBondContact O-CG2 3.44Å; Q503-V525 PolarHBondContact O-N 2.74Å
504	P	96.7	Very high	95	Very high	70 Å²	70	34.6 Å²	34.6	46%	0.455	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.3	167.8	30.9	-33.5	0	0	0	110.5	C523 P566	P504-C523 CarbonylContact C-O 3.52Å; P504-C523 WeakPolarHBondContact CA-O 3.43Å; P504-P566 HydrophobicContact CB-CG 4.39Å; P504-P566 VanDerWaalsContact O-CD 3.25Å; P504-P566 WeakPolarHBondContact O-CD 3.28Å
505	V	96.7	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149	-178.4	-63.3	0	0	0	0	110.6	L472 Q503 V507 V522 C523 V525 I563	L472-V505 HydrophobicContact CD2-CG1 3.99Å; Q503-V505 HydrophobicContact CG-CG1 4.42Å; V505-V507 HydrophobicContact CG2-CG2 4.46Å; V505-V522 CarbonylContact O-C 3.29Å; V505-V522 WeakPolarHBondContact O-CA 3.43Å; V505-C523 HydrophobicContact CG2-CB 4.47Å; V505-C523 PolarHBondContact N-O 3.23Å; V505-C523 PolarHBondContact O-N 3.02Å; V505-C523 VanDerWaalsContact O-O 3.1Å; V505-V525 HydrophobicContact CB-CG2 4.48Å; V505-V525 HydrophobicContact CG1-CG2 3.72Å; V505-V525 HydrophobicContact CG2-CG2 3.89Å; V505-I563 HydrophobicContact CB-CG2 3.66Å; V505-I563 HydrophobicContact CG1-CG2 4.03Å; V505-I563 HydrophobicContact CG2-CG2 3.87Å
506	K	96.4	Very high	94	Very high	34 Å²	34	46.8 Å²	46.8	15%	0.148	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	170.4	-174.6	179.2	-175.2	-178.8	0	108.2	L508 E517 S520 T564 P566	K506-L508 HydrophobicContact CD-CD2 3.98Å; K506-L508 HydrophobicContact CG-CD2 3.9Å; K506-E517 IonicContact NZ-OE2 3.41Å; K506-E517 PolarHBondContact NZ-OE2 3.05Å; K506-S520 VanDerWaalsContact CE-CB 3.44Å; K506-S520 WeakPolarHBondContact CE-OG 3.12Å; K506-T564 HydrophobicContact CB-CG2 4.09Å; K506-T564 PolarHBondContact N-O 3.2Å; K506-T564 PolarHBondContact O-N 3.33Å; K506-P566 HydrophobicContact CB-CB 4.27Å
507	V	96.9	Very high	93.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.3	176.4	-173.2	0	0	0	0	107.9	V505 S520 Q521 C523 C553 P556 I557 A561 I563	V505-V507 HydrophobicContact CG2-CG2 4.46Å; V507-S520 VanDerWaalsContact O-CA 3.27Å; V507-S520 WeakPolarHBondContact O-CA 3.34Å; V507-Q521 PolarHBondContact N-O 3.03Å; V507-Q521 PolarHBondContact O-N 3.11Å; V507-C523 HydrophobicContact CG2-CB 4.26Å; V507-C553 HydrophobicContact CG2-CB 4.19Å; V507-P556 HydrophobicContact CB-CG 3.96Å; V507-P556 HydrophobicContact CG1-CG 3.97Å; V507-P556 HydrophobicContact CG2-CG 4.25Å; V507-I557 HydrophobicContact CG1-CD1 3.98Å; V507-I557 HydrophobicContact CG1-CG1 3.62Å; V507-A561 HydrophobicContact CG1-CB 3.75Å; V507-I563 HydrophobicContact CG2-CG1 4.35Å
508	L	96.1	Very high	93.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.9	176.9	-47.1	179.2	0	0	0	108.7	K506 Y512 A561 T562 T564 A572 I574	K506-L508 HydrophobicContact CD-CD2 3.98Å; K506-L508 HydrophobicContact CG-CD2 3.9Å; L508-Y512 HydrophobicContact CB-CD1 4.28Å; L508-Y512 HydrophobicContact CB-CG 4.13Å; L508-Y512 HydrophobicContact CD1-CD1 4.07Å; L508-Y512 HydrophobicContact CD1-CE1 4Å; L508-Y512 HydrophobicContact CD2-CD1 4.27Å; L508-Y512 HydrophobicContact CD2-CD2 3.96Å; L508-Y512 HydrophobicContact CD2-CE1 4.17Å; L508-Y512 HydrophobicContact CD2-CE2 3.85Å; L508-Y512 HydrophobicContact CD2-CG 4.16Å; L508-Y512 HydrophobicContact CG-CD1 4.44Å; L508-A561 WeakPolarHBondContact O-CA 3.37Å; L508-A561 WeakPolarHBondContact O-CB 3.44Å; L508-T562 HydrophobicContact CD1-CG2 4.5Å; L508-T562 PolarHBondContact N-O 2.86Å; L508-T562 PolarHBondContact O-N 3.16Å; L508-T564 HydrophobicContact CD1-CG2 4.2Å; L508-T564 HydrophobicContact CG-CG2 4.32Å; L508-A572 HydrophobicContact CD1-CB 4.29Å; L508-I574 HydrophobicContact CB-CG2 3.78Å; L508-I574 HydrophobicContact CD1-CG2 4.31Å
509	G	94.6	Very high	93.1	Very high	8 Å²	8	61.2 Å²	61.2	8%	0.082	33%	0.329	C	S	.	.			trans	-78.2	-174.9	175.3	0	0	0	0	0	113.1	D519 I574	G509-D519 VanDerWaalsContact CA-OD2 3.28Å; G509-D519 WeakPolarHBondContact CA-OD2 3.28Å; G509-D519 PolarHBondContact N-O 3.01Å; G509-I574 WeakPolarHBondContact O-CG2 3.08Å
510	E	91.4	Very high	92.9	Very high	63 Å²	63	62.7 Å²	62.7	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.2	-175.1	-68.5	-179.3	175	0	0	113.8	D519 T560 I574 P577	E510-D519 PolarHBondContact N-OD2 3.49Å; E510-D519 VanDerWaalsContact N-OD2 3.17Å; E510-T560 WeakPolarHBondContact CG-OG1 3.47Å; E510-T560 WeakPolarHBondContact OE1-CB 3.37Å; E510-T560 PolarHBondContact OE1-N 2.69Å; E510-T560 VanDerWaalsContact OE1-N 3.13Å; E510-T560 PolarHBondContact OE1-OG1 3.06Å; E510-I574 VanDerWaalsContact O-CD1 3.29Å; E510-I574 WeakPolarHBondContact O-CD1 3.49Å; E510-P577 HydrophobicContact CB-CG 4.33Å; E510-P577 HydrophobicContact CG-CG 4.28Å
511	N	90.4	Very high	92.8	Very high	125 Å²	125	61.7 Å²	61.7	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.8	178.7	-58.4	-51.9	0	0	0	112.6	T513 D519	N511-T513 PolarHBondContact O-N 3.48Å; N511-D519 WeakPolarHBondContact CA-OD2 3.31Å; N511-D519 HydrophobicContact CB-CB 4.17Å; N511-D519 WeakPolarHBondContact CB-OD2 3.33Å; N511-D519 PolarHBondContact N-OD2 2.86Å
512	Y	92.8	Very high	92.7	Very high	6 Å²	6	63.9 Å²	63.9	2%	0.024	34%	0.344	C	S	.	.			trans	-60.9	132.8	179.8	179.1	-89.4	0	0	0	111.5	L508 E517 A572 I574	L508-Y512 HydrophobicContact CB-CD1 4.28Å; L508-Y512 HydrophobicContact CB-CG 4.13Å; L508-Y512 HydrophobicContact CD1-CD1 4.07Å; L508-Y512 HydrophobicContact CD1-CE1 4Å; L508-Y512 HydrophobicContact CD2-CD1 4.27Å; L508-Y512 HydrophobicContact CD2-CD2 3.96Å; L508-Y512 HydrophobicContact CD2-CE1 4.17Å; L508-Y512 HydrophobicContact CD2-CE2 3.85Å; L508-Y512 HydrophobicContact CD2-CG 4.16Å; L508-Y512 HydrophobicContact CG-CD1 4.44Å; Y512-E517 HydrophobicContact CE2-CB 3.93Å; Y512-E517 HydrophobicContact CE2-CG 3.81Å; Y512-A572 WeakPolarHBondContact CE1-O 3.08Å; Y512-I574 HydrophobicContact CD1-CG2 3.91Å; Y512-I574 HydrophobicContact CG-CG2 4.34Å
513	T	89.1	Confident	92.8	Very high	71 Å²	71	62.1 Å²	62.1	44%	0.436	32%	0.323	S	S	.	.			trans	-135.7	168	169.8	68.4	0	0	0	0	109.9	N511 E515 D516	N511-T513 PolarHBondContact O-N 3.48Å; T513-E515 PolarHBondContact O-N 3.37Å; T513-E515 PolarHBondContact OG1-N 2.76Å; T513-D516 PolarHBondContact N-O 2.98Å; T513-D516 VanDerWaalsContact N-O 3.09Å; T513-D516 CarbonylContact O-C 3.55Å; T513-D516 VanDerWaalsContact O-C 3.29Å; T513-D516 PolarHBondContact O-N 2.9Å; T513-D516 PolarHBondContact OG1-N 3.12Å; T513-D516 VanDerWaalsContact OG1-N 3.13Å
514	L	88	Confident	92.8	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.435	34%	0.341	S	S	.	.	S	Bend	trans	-65.6	-19.6	176.2	-64.9	177.6	0	0	0	113.2	Q573	L514-Q573 HydrophobicContact CD1-CG 4.15Å; L514-Q573 HydrophobicContact CD2-CG 4.19Å; L514-Q573 HydrophobicContact CG-CG 4.08Å
515	E	86.8	Confident	92.9	Very high	196 Å²	196	61.3 Å²	61.3	92%	0.916	32%	0.32	S	S	*	.	S	Bend	trans	-91.4	-24.4	177.3	-61.6	-176.6	-180	0	0	112.2	T513	T513-E515 PolarHBondContact O-N 3.37Å; T513-E515 PolarHBondContact OG1-N 2.76Å
516	D	87	Confident	92.9	Very high	67 Å²	67	63 Å²	63	36%	0.358	34%	0.336	S	S	.	.			trans	-128.9	98.9	-176.6	-174.1	1.9	0	0	0	110.7	T513 E518	T513-D516 PolarHBondContact N-O 2.98Å; T513-D516 VanDerWaalsContact N-O 3.09Å; T513-D516 CarbonylContact O-C 3.55Å; T513-D516 VanDerWaalsContact O-C 3.29Å; T513-D516 PolarHBondContact O-N 2.9Å; T513-D516 PolarHBondContact OG1-N 3.12Å; T513-D516 VanDerWaalsContact OG1-N 3.13Å; D516-E518 VanDerWaalsContact OD1-CB 3.29Å; D516-E518 WeakPolarHBondContact OD1-CB 3.42Å; D516-E518 VanDerWaalsContact OD1-CG 3.3Å; D516-E518 WeakPolarHBondContact OD1-CG 3.36Å; D516-E518 PolarHBondContact OD1-N 2.57Å
517	E	87.6	Confident	92.9	Very high	104 Å²	104	66.3 Å²	66.3	49%	0.486	35%	0.348	S	S	.	.			trans	-89.4	3.7	179.4	-63.8	-161.8	-141.5	0	0	114.1	K506 Y512 D519 S520	K506-E517 IonicContact NZ-OE2 3.41Å; K506-E517 PolarHBondContact NZ-OE2 3.05Å; Y512-E517 HydrophobicContact CE2-CB 3.93Å; Y512-E517 HydrophobicContact CE2-CG 3.81Å; E517-D519 VanDerWaalsContact C-N 3.25Å; E517-D519 PolarHBondContact O-N 3.3Å; E517-S520 PolarHBondContact O-N 3.08Å; E517-S520 PolarHBondContact O-OG 3.16Å
518	E	90.4	Very high	93	Very high	176 Å²	176	66.3 Å²	66.3	82%	0.822	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-35	-176	-68.9	-175	177.3	0	0	112.2	D516 S520	D516-E518 VanDerWaalsContact OD1-CB 3.29Å; D516-E518 WeakPolarHBondContact OD1-CB 3.42Å; D516-E518 VanDerWaalsContact OD1-CG 3.3Å; D516-E518 WeakPolarHBondContact OD1-CG 3.36Å; D516-E518 PolarHBondContact OD1-N 2.57Å; E518-S520 PolarHBondContact O-N 2.89Å
519	D	92	Very high	93	Very high	46 Å²	46	66.9 Å²	66.9	25%	0.246	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	42.9	176.6	-161.6	19.7	0	0	0	112.3	G509 E510 N511 E517	G509-D519 VanDerWaalsContact CA-OD2 3.28Å; G509-D519 WeakPolarHBondContact CA-OD2 3.28Å; G509-D519 PolarHBondContact N-O 3.01Å; E510-D519 PolarHBondContact N-OD2 3.49Å; E510-D519 VanDerWaalsContact N-OD2 3.17Å; N511-D519 WeakPolarHBondContact CA-OD2 3.31Å; N511-D519 HydrophobicContact CB-CB 4.17Å; N511-D519 WeakPolarHBondContact CB-OD2 3.33Å; N511-D519 PolarHBondContact N-OD2 2.86Å; E517-D519 VanDerWaalsContact C-N 3.25Å; E517-D519 PolarHBondContact O-N 3.3Å
520	S	93.4	Very high	93.1	Very high	31 Å²	31	66.6 Å²	66.6	22%	0.217	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.7	172	73.5	0	0	0	0	112.8	K506 V507 E517 E518	K506-S520 VanDerWaalsContact CE-CB 3.44Å; K506-S520 WeakPolarHBondContact CE-OG 3.12Å; V507-S520 VanDerWaalsContact O-CA 3.27Å; V507-S520 WeakPolarHBondContact O-CA 3.34Å; E517-S520 PolarHBondContact O-N 3.08Å; E517-S520 PolarHBondContact O-OG 3.16Å; E518-S520 PolarHBondContact O-N 2.89Å
521	Q	94.9	Very high	93.3	Very high	87 Å²	87	64 Å²	64	41%	0.407	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.5	-179.9	-171.2	173.9	-14.4	0	0	111.3	V507 P556	V507-Q521 PolarHBondContact N-O 3.03Å; V507-Q521 PolarHBondContact O-N 3.11Å; Q521-P556 HydrophobicContact CB-CB 3.96Å; Q521-P556 HydrophobicContact CB-CG 4.24Å
522	V	95.4	Very high	93.6	Very high	87 Å²	87	58 Å²	58	53%	0.527	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.8	172.1	-177.6	0	0	0	0	109.2	V505 P566	V505-V522 CarbonylContact O-C 3.29Å; V505-V522 WeakPolarHBondContact O-CA 3.43Å; V522-P566 HydrophobicContact CG1-CB 4.31Å; V522-P566 HydrophobicContact CG2-CB 4.21Å
523	C	96.1	Very high	93.6	Very high	13 Å²	13	57.8 Å²	57.8	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.6	177.7	-63	0	0	0	0	110	P504 V505 V507	P504-C523 CarbonylContact C-O 3.52Å; P504-C523 WeakPolarHBondContact CA-O 3.43Å; V505-C523 HydrophobicContact CG2-CB 4.47Å; V505-C523 PolarHBondContact N-O 3.23Å; V505-C523 PolarHBondContact O-N 3.02Å; V505-C523 VanDerWaalsContact O-O 3.1Å; V507-C523 HydrophobicContact CG2-CB 4.26Å
524	T	97.1	Very high	93.9	Very high	88 Å²	88	55.4 Å²	55.4	54%	0.54	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.1	171.8	-56	0	0	0	0	108.4	G526	T524-G526 PolarHBondContact O-N 2.93Å
525	V	97.4	Very high	94.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.264	C	S	.	.			trans	-63.7	121.4	172.4	176.3	0	0	0	0	108.4	I499 G502 Q503 V505 L528 I550	I499-V525 HydrophobicContact CD1-CG2 3.91Å; I499-V525 HydrophobicContact CG1-CG2 4.12Å; G502-V525 WeakPolarHBondContact CA-O 3.4Å; G502-V525 PolarHBondContact N-O 3.45Å; Q503-V525 WeakPolarHBondContact O-CG2 3.44Å; Q503-V525 PolarHBondContact O-N 2.74Å; V505-V525 HydrophobicContact CB-CG2 4.48Å; V505-V525 HydrophobicContact CG1-CG2 3.72Å; V505-V525 HydrophobicContact CG2-CG2 3.89Å; V525-L528 HydrophobicContact CG1-CD2 3.52Å; V525-L528 HydrophobicContact CG1-CG 3.87Å; V525-I550 HydrophobicContact CG1-CG2 4.15Å; V525-I550 HydrophobicContact CG2-CG2 4.25Å
526	G	96.5	Very high	94.6	Very high	34 Å²	34	44.9 Å²	44.9	35%	0.351	23%	0.234	S	C	.	.			trans	-73.4	-99.4	173.2	0	0	0	0	0	110.5	G502 T524 E551	G502-G526 PolarHBondContact N-O 2.67Å; T524-G526 PolarHBondContact O-N 2.93Å; G526-E551 PolarHBondContact N-O 3.24Å
527	R	97.2	Very high	95	Very high	105 Å²	105	42.4 Å²	42.4	40%	0.396	22%	0.22	S	C	.	.			trans	-104.8	162.4	170.4	-66.7	167.9	-73	175.3	1.4	111.7	W529 E551	R527-W529 HydrophobicContact CB-CD2 4.39Å; R527-W529 HydrophobicContact CB-CH2 3.71Å; R527-W529 HydrophobicContact CB-CZ2 3.44Å; R527-W529 VanDerWaalsContact CB-CZ2 3.44Å; R527-W529 HydrophobicContact CB-CZ3 4.26Å; R527-W529 HydrophobicContact CG-CZ2 4.26Å; R527-E551 VanDerWaalsContact CB-OE2 3.32Å; R527-E551 WeakPolarHBondContact CB-OE2 3.42Å; R527-E551 IonicContact CZ-OE1 2.84Å; R527-E551 IonicContact CZ-OE2 2.92Å; R527-E551 PolarHBondContact N-OE2 2.78Å; R527-E551 IonicContact NE-OE1 2.74Å; R527-E551 IonicContact NE-OE2 2.74Å; R527-E551 PolarHBondContact NE-OE2 3.48Å; R527-E551 IonicContact NH2-OE1 2.73Å; R527-E551 PolarHBondContact NH2-OE1 3.07Å; R527-E551 IonicContact NH2-OE2 3.98Å; R527-E551 PolarHBondContact NH2-OE2 3.48Å; R527-E551 PolarHBondContact O-N 3Å; R527-E551 VanDerWaalsContact O-N 3.08Å
528	L	97.9	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.3	174.1	-61.9	173.6	0	0	0	109.1	I499 A501 V525 E538 V539 V542 V548 L549 I550	I499-L528 HydrophobicContact CD1-CD2 4.02Å; I499-L528 HydrophobicContact CG1-CD1 4.33Å; I499-L528 HydrophobicContact CG1-CD2 4.21Å; I499-L528 HydrophobicContact CG2-CD1 3.89Å; I499-L528 HydrophobicContact CG2-CD2 4.22Å; I499-L528 WeakPolarHBondContact O-CD1 3.43Å; A501-L528 HydrophobicContact CB-CD1 4.45Å; A501-L528 HydrophobicContact CB-CG 4.39Å; V525-L528 HydrophobicContact CG1-CD2 3.52Å; V525-L528 HydrophobicContact CG1-CG 3.87Å; L528-E538 WeakPolarHBondContact O-CA 3.41Å; L528-V539 HydrophobicContact CB-CG2 4.01Å; L528-V539 PolarHBondContact O-N 2.84Å; L528-V542 HydrophobicContact CD1-CG2 4.47Å; L528-V548 HydrophobicContact CB-CG2 4.26Å; L528-V548 HydrophobicContact CD2-CG2 3.83Å; L528-L549 WeakPolarHBondContact CA-O 3.39Å; L528-I550 HydrophobicContact CD2-CB 4.37Å; L528-I550 HydrophobicContact CD2-CG1 4Å; L528-I550 HydrophobicContact CD2-CG2 4.23Å
529	W	97.2	Very high	95.7	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.1	175.7	-52.1	-92.9	0	0	0	113.1	H489 R527 Q536 I537 L549 E551	H489-W529 AromaticContact CD2-CZ3 3.68Å; H489-W529 AromaticContact CE1-CH2 3.71Å; H489-W529 AromaticContact CE1-CZ3 3.82Å; H489-W529 AromaticContact CG-CZ3 3.86Å; H489-W529 AromaticContact ND1-CZ3 3.94Å; H489-W529 AromaticContact NE2-CH2 3.57Å; H489-W529 AromaticContact NE2-CZ3 3.67Å; R527-W529 HydrophobicContact CB-CD2 4.39Å; R527-W529 HydrophobicContact CB-CH2 3.71Å; R527-W529 HydrophobicContact CB-CZ2 3.44Å; R527-W529 VanDerWaalsContact CB-CZ2 3.44Å; R527-W529 HydrophobicContact CB-CZ3 4.26Å; R527-W529 HydrophobicContact CG-CZ2 4.26Å; W529-Q536 HydrophobicContact CB-CB 4.06Å; W529-Q536 HydrophobicContact CG-CB 4.11Å; W529-I537 CarbonylContact C-O 3.03Å; W529-I537 VanDerWaalsContact CA-O 3.26Å; W529-I537 WeakPolarHBondContact CA-O 3.48Å; W529-L549 HydrophobicContact CB-CB 4.13Å; W529-L549 HydrophobicContact CB-CD1 4.36Å; W529-L549 HydrophobicContact CE3-CB 3.97Å; W529-L549 PolarHBondContact N-O 2.98Å; W529-L549 PolarHBondContact O-N 3.36Å; W529-E551 HydrophobicContact CH2-CB 3.61Å; W529-E551 HydrophobicContact CH2-CG 3.84Å; W529-E551 WeakPolarHBondContact CH2-OE2 3.32Å; W529-E551 HydrophobicContact CZ3-CB 3.57Å; W529-E551 HydrophobicContact CZ3-CG 4.22Å
530	I	97.4	Very high	95.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.2	161.5	-57.6	-55.9	0	0	0	107.7	M121 T185 I537 V539 V542 W547	M121-I530 HydrophobicContact CE-CD1 3.58Å; M121-I530 HydrophobicContact CE-CG1 3.87Å; M121-I530 HydrophobicContact SD-CD1 4.16Å; M121-I530 HydrophobicContact SD-CG1 3.94Å; T185-I530 VanDerWaalsContact CB-CG2 3.47Å; T185-I530 HydrophobicContact CG2-CG2 3.61Å; I530-I537 HydrophobicContact CB-CB 4.34Å; I530-I537 PolarHBondContact N-O 2.9Å; I530-I537 PolarHBondContact O-N 3.11Å; I530-V539 HydrophobicContact CG1-CG1 4.09Å; I530-V539 HydrophobicContact CG1-CG2 4.16Å; I530-V542 HydrophobicContact CD1-CG1 4.38Å; I530-V542 HydrophobicContact CD1-CG2 3.97Å; I530-W547 VanDerWaalsContact CD1-O 3.23Å; I530-W547 WeakPolarHBondContact CD1-O 3.41Å
531	N	95.2	Very high	96.1	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.8	-171.4	-162.1	13.3	0	0	0	111.9	P183 T185 L549	P183-N531 HydrophobicContact CG-CB 3.99Å; P183-N531 WeakPolarHBondContact CG-ND2 3.36Å; T185-N531 PolarHBondContact N-O 3.04Å; N531-L549 HydrophobicContact CB-CD1 3.64Å; N531-L549 HydrophobicContact CB-CG 4.15Å
532	V	95.7	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	51.3	177.1	-161.1	0	0	0	0	109.6	I148 V184 T185 R534 Y535 I537	I148-V532 HydrophobicContact CD1-CG1 4.4Å; V184-V532 HydrophobicContact CG1-CG1 3.62Å; T185-V532 WeakPolarHBondContact O-CG2 3.08Å; V532-R534 PolarHBondContact O-N 3.32Å; V532-Y535 HydrophobicContact CB-CD1 4.04Å; V532-Y535 HydrophobicContact CB-CD2 4.25Å; V532-Y535 HydrophobicContact CB-CE1 3.57Å; V532-Y535 HydrophobicContact CB-CE2 3.82Å; V532-Y535 HydrophobicContact CB-CG 4.36Å; V532-Y535 VanDerWaalsContact CB-CZ 3.45Å; V532-Y535 HydrophobicContact CG1-CD1 4.41Å; V532-Y535 HydrophobicContact CG1-CE1 3.56Å; V532-Y535 HydrophobicContact CG1-CE2 4.42Å; V532-Y535 WeakPolarHBondContact CG1-OH 3.09Å; V532-Y535 HydrophobicContact CG2-CD2 4.35Å; V532-Y535 HydrophobicContact CG2-CE1 4.3Å; V532-Y535 HydrophobicContact CG2-CE2 3.69Å; V532-Y535 PolarHBondContact N-O 3.07Å; V532-I537 HydrophobicContact CG2-CD1 3.95Å; V532-I537 HydrophobicContact CG2-CG1 4.39Å
533	A	93.8	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-82.6	-171.9	0	0	0	0	0	114.7	Y165 T166 I168 T182 P183 V184	Y165-A533 HydrophobicContact CD1-CB 4.02Å; Y165-A533 HydrophobicContact CE1-CB 4.11Å; T166-A533 HydrophobicContact CG2-CB 4.12Å; I168-A533 HydrophobicContact CG2-CB 4.15Å; T182-A533 HydrophobicContact CG2-CB 3.55Å; P183-A533 PolarHBondContact O-N 2.87Å; P183-A533 VanDerWaalsContact O-N 3.11Å; V184-A533 HydrophobicContact CG2-CB 3.95Å
534	R	94.4	Very high	96.4	Very high	22 Å²	22	34.8 Å²	34.8	8%	0.083	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.7	-172.5	-60	-170.2	-179.7	-175.8	-4.1	113.8	M103 E104 L163 R164 Y165 I168 V532	M103-R534 CarbonylContact C-O 3.55Å; M103-R534 VanDerWaalsContact CA-O 3.29Å; M103-R534 WeakPolarHBondContact CA-O 3.46Å; E104-R534 HydrophobicContact CG-CB 4.31Å; E104-R534 PolarHBondContact N-O 3.43Å; L163-R534 PolarHBondContact O-NH2 3.06Å; R164-R534 PolarHBondContact O-NH2 2.96Å; R164-R534 VanDerWaalsContact O-NH2 3.15Å; Y165-R534 HydrophobicContact CD1-CG 4.25Å; Y165-R534 HydrophobicContact CD2-CG 4.27Å; Y165-R534 HydrophobicContact CE1-CB 4.1Å; Y165-R534 HydrophobicContact CE1-CG 3.93Å; Y165-R534 HydrophobicContact CE2-CB 4.26Å; Y165-R534 VanDerWaalsContact CE2-CD 3.41Å; Y165-R534 HydrophobicContact CE2-CG 3.95Å; Y165-R534 HydrophobicContact CG-CG 4.43Å; Y165-R534 WeakPolarHBondContact O-CG 3.29Å; Y165-R534 PolarHBondContact O-NE 3.29Å; I168-R534 HydrophobicContact CG2-CG 3.92Å; V532-R534 PolarHBondContact O-N 3.32Å
535	Y	94.5	Very high	96.4	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.9	175.5	73.1	-89.2	0	0	0	110.8	L107 P108 M114 H152 V532 I537	L107-Y535 HydrophobicContact CD2-CD2 3.47Å; L107-Y535 VanDerWaalsContact CD2-CD2 3.47Å; L107-Y535 HydrophobicContact CD2-CE2 3.98Å; L107-Y535 HydrophobicContact CD2-CG 4.42Å; P108-Y535 HydrophobicContact CG-CD1 3.52Å; P108-Y535 HydrophobicContact CG-CE1 3.39Å; P108-Y535 HydrophobicContact CG-CE2 4.45Å; P108-Y535 HydrophobicContact CG-CG 4.13Å; M114-Y535 HydrophobicContact CE-CE2 4.37Å; H152-Y535 AromaticContact NE2-CE1 3.51Å; H152-Y535 AromaticContact NE2-CZ 3.62Å; H152-Y535 PolarHBondContact NE2-OH 3.04Å; V532-Y535 HydrophobicContact CB-CD1 4.04Å; V532-Y535 HydrophobicContact CB-CD2 4.25Å; V532-Y535 HydrophobicContact CB-CE1 3.57Å; V532-Y535 HydrophobicContact CB-CE2 3.82Å; V532-Y535 HydrophobicContact CB-CG 4.36Å; V532-Y535 VanDerWaalsContact CB-CZ 3.45Å; V532-Y535 HydrophobicContact CG1-CD1 4.41Å; V532-Y535 HydrophobicContact CG1-CE1 3.56Å; V532-Y535 HydrophobicContact CG1-CE2 4.42Å; V532-Y535 WeakPolarHBondContact CG1-OH 3.09Å; V532-Y535 HydrophobicContact CG2-CD2 4.35Å; V532-Y535 HydrophobicContact CG2-CE1 4.3Å; V532-Y535 HydrophobicContact CG2-CE2 3.69Å; V532-Y535 PolarHBondContact N-O 3.07Å; Y535-I537 HydrophobicContact CD2-CG1 4.1Å; Y535-I537 HydrophobicContact CE2-CD1 3.98Å; Y535-I537 HydrophobicContact CE2-CG1 3.69Å
536	Q	94.6	Very high	96.4	Very high	57 Å²	57	30.6 Å²	30.6	27%	0.266	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.8	-176.3	-68.1	174.8	3.7	0	0	109.5	M103 W529 L549	M103-Q536 HydrophobicContact CE-CG 3.89Å; M103-Q536 VanDerWaalsContact CE-NE2 3.28Å; W529-Q536 HydrophobicContact CB-CB 4.06Å; W529-Q536 HydrophobicContact CG-CB 4.11Å; Q536-L549 HydrophobicContact CG-CD1 4.29Å
537	I	95.7	Very high	96.5	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.072	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.3	177.8	-53.4	165.8	0	0	0	107.5	L107 M114 L117 W529 I530 V532 Y535 V539	L107-I537 HydrophobicContact CD2-CG1 4.16Å; M114-I537 HydrophobicContact CE-CD1 4.48Å; M114-I537 HydrophobicContact SD-CD1 3.67Å; M114-I537 HydrophobicContact SD-CG1 4.38Å; L117-I537 HydrophobicContact CD1-CD1 4.27Å; W529-I537 CarbonylContact C-O 3.03Å; W529-I537 VanDerWaalsContact CA-O 3.26Å; W529-I537 WeakPolarHBondContact CA-O 3.48Å; I530-I537 HydrophobicContact CB-CB 4.34Å; I530-I537 PolarHBondContact N-O 2.9Å; I530-I537 PolarHBondContact O-N 3.11Å; V532-I537 HydrophobicContact CG2-CD1 3.95Å; V532-I537 HydrophobicContact CG2-CG1 4.39Å; Y535-I537 HydrophobicContact CD2-CG1 4.1Å; Y535-I537 HydrophobicContact CE2-CD1 3.98Å; Y535-I537 HydrophobicContact CE2-CG1 3.69Å; I537-V539 HydrophobicContact CG2-CG1 4.34Å
538	E	96.2	Very high	96.6	Very high	118 Å²	118	24.1 Å²	24.1	55%	0.551	11%	0.113	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.1	176.1	-171.4	174.5	163.8	0	0	110.7	L528	L528-E538 WeakPolarHBondContact O-CA 3.41Å
539	V	96.8	Very high	96.6	Very high	22 Å²	22	24.2 Å²	24.2	13%	0.133	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.9	-177.6	-66.1	0	0	0	0	111	L528 I530 I537 V542	L528-V539 HydrophobicContact CB-CG2 4.01Å; L528-V539 PolarHBondContact O-N 2.84Å; I530-V539 HydrophobicContact CG1-CG1 4.09Å; I530-V539 HydrophobicContact CG1-CG2 4.16Å; I537-V539 HydrophobicContact CG2-CG1 4.34Å; V539-V542 HydrophobicContact CG2-CG2 3.54Å
540	N	97.3	Very high	96.6	Very high	135 Å²	135	23.6 Å²	23.6	72%	0.722	11%	0.111	S	C	*	.	S	Bend	trans	-79.1	-27.8	179.6	-65.6	-40.2	0	0	0	112.9	Q500 A501	Q500-N540 WeakPolarHBondContact CA-O 3.43Å; A501-N540 PolarHBondContact N-O 3.01Å
541	R	97.3	Very high	96.6	Very high	108 Å²	108	24.8 Å²	24.8	41%	0.408	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152	-179	71.9	178.3	178.7	92	8.8	111.3	D122 T498 I499 Q500	D122-R541 IonicContact OD1-CZ 3.92Å; D122-R541 VanDerWaalsContact OD1-CZ 3.22Å; D122-R541 IonicContact OD1-NH1 2.89Å; D122-R541 PolarHBondContact OD1-NH1 2.69Å; D122-R541 IonicContact OD1-NH2 2.65Å; D122-R541 PolarHBondContact OD1-NH2 3.41Å; D122-R541 IonicContact OD2-CZ 3.08Å; D122-R541 IonicContact OD2-NH1 2.65Å; D122-R541 IonicContact OD2-NH2 2.74Å; D122-R541 PolarHBondContact OD2-NH2 2.77Å; T498-R541 HydrophobicContact CG2-CB 3.76Å; T498-R541 HydrophobicContact CG2-CG 4.19Å; I499-R541 CarbonylContact O-C 3.46Å; I499-R541 WeakPolarHBondContact O-CA 3.41Å; Q500-R541 HydrophobicContact CG-CB 4.17Å
542	V	98.1	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.7	170.8	-178	0	0	0	0	110.1	M121 V494 T498 I499 L528 I530 V539 N546 V548	M121-V542 HydrophobicContact CE-CB 4.4Å; M121-V542 HydrophobicContact CE-CG1 3.97Å; M121-V542 HydrophobicContact CE-CG2 4.12Å; V494-V542 HydrophobicContact CG2-CG1 4.21Å; T498-V542 WeakPolarHBondContact CA-O 3.32Å; I499-V542 HydrophobicContact CG2-CB 3.83Å; I499-V542 PolarHBondContact N-O 3.44Å; I499-V542 PolarHBondContact O-N 3.08Å; L528-V542 HydrophobicContact CD1-CG2 4.47Å; I530-V542 HydrophobicContact CD1-CG1 4.38Å; I530-V542 HydrophobicContact CD1-CG2 3.97Å; V539-V542 HydrophobicContact CG2-CG2 3.54Å; V542-N546 HydrophobicContact CG1-CB 3.58Å; V542-V548 HydrophobicContact CB-CB 4.26Å; V542-V548 HydrophobicContact CB-CG2 4.13Å; V542-V548 HydrophobicContact CG1-CB 4.09Å; V542-V548 HydrophobicContact CG1-CG2 4.49Å; V542-V548 HydrophobicContact CG2-CB 4.13Å; V542-V548 HydrophobicContact CG2-CG2 3.66Å
543	P	97.9	Very high	96.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	167	-178.7	33.9	-35.7	0	0	0	112.6	M121 P468 N546	M121-P543 HydrophobicContact CB-CG 4.24Å; M121-P543 VanDerWaalsContact O-CG 3.28Å; M121-P543 WeakPolarHBondContact O-CG 3.2Å; P468-P543 HydrophobicContact CB-CB 3.95Å; P468-P543 HydrophobicContact CG-CB 4.37Å; P543-N546 PolarHBondContact O-N 3.49Å; P543-N546 PolarHBondContact O-ND2 3.48Å
544	A	97.3	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	142.2	176.9	0	0	0	0	0	113.4	P468 V494 G497	P468-A544 HydrophobicContact CG-CB 4.41Å; V494-A544 HydrophobicContact CG1-CB 4.45Å; G497-A544 PolarHBondContact O-N 2.87Å
545	G	95.8	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-17.5	-178.9	0	0	0	0	0	115	N129 V494	N129-G545 PolarHBondContact ND2-O 3.24Å; N129-G545 PolarHBondContact OD1-O 3.5Å; V494-G545 PolarHBondContact O-N 2.84Å
546	N	98.3	Very high	96.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.177	C	C	.	.			trans	-95	158.9	-176.2	-66.6	-79.9	0	0	0	113.5	M121 I127 R493 V494 V542 P543	M121-N546 WeakPolarHBondContact CG-OD1 3.41Å; M121-N546 PolarHBondContact O-ND2 3.21Å; I127-N546 WeakPolarHBondContact CD1-ND2 3.29Å; I127-N546 VanDerWaalsContact CD1-OD1 3.25Å; I127-N546 WeakPolarHBondContact CD1-OD1 3.41Å; R493-N546 WeakPolarHBondContact CA-O 3.36Å; V494-N546 PolarHBondContact N-O 3.15Å; V542-N546 HydrophobicContact CG1-CB 3.58Å; P543-N546 PolarHBondContact O-N 3.49Å; P543-N546 PolarHBondContact O-ND2 3.48Å
547	W	98.4	Very high	96.2	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	148.8	168.3	-64.4	-9	0	0	0	111.3	N129 P183 N199 M201 L219 S220 F491 G492 I530	N129-W547 HydrophobicContact CB-CZ2 3.84Å; P183-W547 HydrophobicContact CB-CE3 4.09Å; P183-W547 HydrophobicContact CB-CZ3 4.21Å; N199-W547 HydrophobicContact CB-CD2 3.71Å; N199-W547 HydrophobicContact CB-CE3 3.61Å; N199-W547 HydrophobicContact CB-CG 4.23Å; N199-W547 HydrophobicContact CB-CH2 4.25Å; N199-W547 HydrophobicContact CB-CZ2 4.34Å; N199-W547 HydrophobicContact CB-CZ3 3.91Å; N199-W547 VanDerWaalsContact O-CH2 3.31Å; N199-W547 WeakPolarHBondContact O-CH2 3.48Å; M201-W547 HydrophobicContact CB-CH2 3.61Å; M201-W547 HydrophobicContact CB-CZ3 3.84Å; M201-W547 HydrophobicContact CE-CE3 4.43Å; M201-W547 HydrophobicContact CE-CH2 4.44Å; M201-W547 HydrophobicContact CE-CZ3 4.06Å; L219-W547 HydrophobicContact CB-CZ2 4.39Å; L219-W547 PolarHBondContact O-NE1 2.54Å; S220-W547 WeakPolarHBondContact OG-CZ2 3.17Å; F491-W547 HydrophobicContact CE1-CD2 4.28Å; F491-W547 HydrophobicContact CE1-CE3 4.22Å; F491-W547 HydrophobicContact CE1-CG 4.44Å; F491-W547 HydrophobicContact CE2-CB 3.93Å; F491-W547 HydrophobicContact CZ-CB 3.63Å; F491-W547 AromaticContact CZ-CD2 3.82Å; F491-W547 HydrophobicContact CZ-CD2 3.82Å; F491-W547 AromaticContact CZ-CE3 3.59Å; F491-W547 HydrophobicContact CZ-CE3 3.59Å; F491-W547 AromaticContact CZ-CG 3.88Å; F491-W547 HydrophobicContact CZ-CG 3.88Å; F491-W547 HydrophobicContact CZ-CZ3 4.49Å; G492-W547 CarbonylContact O-C 3.03Å; G492-W547 VanDerWaalsContact O-CA 3.25Å; G492-W547 WeakPolarHBondContact O-CA 3.5Å; I530-W547 VanDerWaalsContact CD1-O 3.23Å; I530-W547 WeakPolarHBondContact CD1-O 3.41Å
548	V	98.2	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142	-174.6	61	0	0	0	0	111.5	F491 G492 V494 I499 L528 V542 I550	F491-V548 WeakPolarHBondContact CA-O 3.43Å; F491-V548 WeakPolarHBondContact CD2-O 3.46Å; G492-V548 PolarHBondContact N-O 2.98Å; G492-V548 PolarHBondContact O-N 2.9Å; V494-V548 HydrophobicContact CG2-CG1 3.97Å; I499-V548 HydrophobicContact CG2-CG2 4.46Å; L528-V548 HydrophobicContact CB-CG2 4.26Å; L528-V548 HydrophobicContact CD2-CG2 3.83Å; V542-V548 HydrophobicContact CB-CB 4.26Å; V542-V548 HydrophobicContact CB-CG2 4.13Å; V542-V548 HydrophobicContact CG1-CB 4.09Å; V542-V548 HydrophobicContact CG1-CG2 4.49Å; V542-V548 HydrophobicContact CG2-CB 4.13Å; V542-V548 HydrophobicContact CG2-CG2 3.66Å; V548-I550 HydrophobicContact CG1-CD1 4Å; V548-I550 HydrophobicContact CG1-CG1 3.93Å; V548-I550 HydrophobicContact CG2-CG1 4.05Å
549	L	97.8	Very high	95.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.7	161.6	-73.3	174.2	0	0	0	109.7	Y480 H489 A490 F491 L528 W529 N531 Q536	Y480-L549 HydrophobicContact CD2-CD2 3.63Å; Y480-L549 HydrophobicContact CE2-CD2 4.37Å; H489-L549 HydrophobicContact CB-CB 4.43Å; H489-L549 HydrophobicContact CB-CD2 4.04Å; A490-L549 CarbonylContact O-C 3.44Å; A490-L549 WeakPolarHBondContact O-CA 3.46Å; F491-L549 HydrophobicContact CB-CD2 3.79Å; F491-L549 HydrophobicContact CD2-CD2 3.6Å; F491-L549 HydrophobicContact CD2-CG 3.94Å; F491-L549 HydrophobicContact CG-CD2 4.15Å; L528-L549 WeakPolarHBondContact CA-O 3.39Å; W529-L549 HydrophobicContact CB-CB 4.13Å; W529-L549 HydrophobicContact CB-CD1 4.36Å; W529-L549 HydrophobicContact CE3-CB 3.97Å; W529-L549 PolarHBondContact N-O 2.98Å; W529-L549 PolarHBondContact O-N 3.36Å; N531-L549 HydrophobicContact CB-CD1 3.64Å; N531-L549 HydrophobicContact CB-CG 4.15Å; Q536-L549 HydrophobicContact CG-CD1 4.29Å
550	I	98	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.5	-174.3	-51.9	170.8	0	0	0	109.2	T476 H489 A490 I499 V525 L528 V548 C553 I563	T476-I550 HydrophobicContact CG2-CD1 4.27Å; H489-I550 WeakPolarHBondContact CA-O 3.29Å; A490-I550 HydrophobicContact CB-CB 4.42Å; A490-I550 PolarHBondContact N-O 2.68Å; A490-I550 PolarHBondContact O-N 2.74Å; I499-I550 HydrophobicContact CD1-CD1 3.64Å; I499-I550 HydrophobicContact CD1-CG1 4.06Å; I499-I550 HydrophobicContact CD1-CG2 4.28Å; V525-I550 HydrophobicContact CG1-CG2 4.15Å; V525-I550 HydrophobicContact CG2-CG2 4.25Å; L528-I550 HydrophobicContact CD2-CB 4.37Å; L528-I550 HydrophobicContact CD2-CG1 4Å; L528-I550 HydrophobicContact CD2-CG2 4.23Å; V548-I550 HydrophobicContact CG1-CD1 4Å; V548-I550 HydrophobicContact CG1-CG1 3.93Å; V548-I550 HydrophobicContact CG2-CG1 4.05Å; I550-C553 HydrophobicContact CG2-CB 4.24Å; I550-I563 HydrophobicContact CD1-CD1 3.53Å
551	E	97.1	Very high	95.7	Very high	27 Å²	27	24.1 Å²	24.1	13%	0.126	13%	0.126	C	C	.	.	S	Bend	trans	-85.5	147.1	171.8	-159	178.5	-171	0	0	112.1	G526 R527 W529 C553	G526-E551 PolarHBondContact N-O 3.24Å; R527-E551 VanDerWaalsContact CB-OE2 3.32Å; R527-E551 WeakPolarHBondContact CB-OE2 3.42Å; R527-E551 IonicContact CZ-OE1 2.84Å; R527-E551 IonicContact CZ-OE2 2.92Å; R527-E551 PolarHBondContact N-OE2 2.78Å; R527-E551 IonicContact NE-OE1 2.74Å; R527-E551 IonicContact NE-OE2 2.74Å; R527-E551 PolarHBondContact NE-OE2 3.48Å; R527-E551 IonicContact NH2-OE1 2.73Å; R527-E551 PolarHBondContact NH2-OE1 3.07Å; R527-E551 IonicContact NH2-OE2 3.98Å; R527-E551 PolarHBondContact NH2-OE2 3.48Å; R527-E551 PolarHBondContact O-N 3Å; R527-E551 VanDerWaalsContact O-N 3.08Å; W529-E551 HydrophobicContact CH2-CB 3.61Å; W529-E551 HydrophobicContact CH2-CG 3.84Å; W529-E551 WeakPolarHBondContact CH2-OE2 3.32Å; W529-E551 HydrophobicContact CZ3-CB 3.57Å; W529-E551 HydrophobicContact CZ3-CG 4.22Å; E551-C553 VanDerWaalsContact C-N 3.33Å; E551-C553 PolarHBondContact O-N 3.05Å
552	G	93.4	Very high	95.7	Very high	37 Å²	37	19 Å²	19	38%	0.381	11%	0.107	S	C	.	.	S	Bend	trans	84.1	0.8	167.3	0	0	0	0	0	115.7
553	C	93	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.			trans	-105.9	9.8	177	-62.2	0	0	0	0	113	V507 I550 E551 I557	V507-C553 HydrophobicContact CG2-CB 4.19Å; I550-C553 HydrophobicContact CG2-CB 4.24Å; E551-C553 VanDerWaalsContact C-N 3.33Å; E551-C553 PolarHBondContact O-N 3.05Å; C553-I557 HydrophobicContact CB-CD1 4.49Å; C553-I557 WeakPolarHBondContact O-CD1 3.27Å; C553-I557 VanDerWaalsContact O-CG1 3.23Å; C553-I557 WeakPolarHBondContact O-CG1 3.46Å
554	D	93.2	Very high	95.5	Very high	30 Å²	30	19 Å²	19	16%	0.16	11%	0.107	C	C	.	.			trans	-80.5	-29.7	-168.8	66.3	-51.6	0	0	0	114.5	M479 F488 I557 K610	M479-D554 HydrophobicContact CE-CB 3.58Å; F488-D554 HydrophobicContact CB-CB 3.9Å; F488-D554 WeakPolarHBondContact O-CB 2.91Å; D554-I557 PolarHBondContact O-N 3.32Å; D554-K610 PolarHBondContact O-NZ 3.14Å
555	Q	92	Very high	95.3	Very high	150 Å²	150	21.9 Å²	21.9	70%	0.701	12%	0.121	S	C	*	.	S	Bend	trans	-54.7	-54.2	-176.7	-76.6	-160.1	-11.2	0	0	114.7	I557 K610	Q555-I557 VanDerWaalsContact C-N 3.25Å; Q555-I557 PolarHBondContact O-N 3.27Å; Q555-K610 PolarHBondContact O-NZ 3.07Å
556	P	93.9	Very high	95	Very high	26 Å²	26	24.2 Å²	24.2	17%	0.169	14%	0.136	C	C	.	.	S	Bend	trans	-72.9	-16.4	-179.3	28.6	-35.4	0	0	0	113.5	V507 Q521	V507-P556 HydrophobicContact CB-CG 3.96Å; V507-P556 HydrophobicContact CG1-CG 3.97Å; V507-P556 HydrophobicContact CG2-CG 4.25Å; Q521-P556 HydrophobicContact CB-CB 3.96Å; Q521-P556 HydrophobicContact CB-CG 4.24Å
557	I	94	Very high	94.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.175	C	C	.	.			trans	-86.9	122.8	-175.3	-53.7	177.2	0	0	0	109.7	M479 A490 V507 C553 D554 Q555 A561 K610	M479-I557 HydrophobicContact CE-CB 4.1Å; M479-I557 HydrophobicContact CE-CD1 4.46Å; M479-I557 HydrophobicContact CE-CG2 4.24Å; M479-I557 HydrophobicContact CG-CG2 4.42Å; M479-I557 HydrophobicContact SD-CB 4.2Å; M479-I557 HydrophobicContact SD-CD1 4.45Å; M479-I557 HydrophobicContact SD-CG2 3.69Å; A490-I557 HydrophobicContact CB-CD1 3.88Å; V507-I557 HydrophobicContact CG1-CD1 3.98Å; V507-I557 HydrophobicContact CG1-CG1 3.62Å; C553-I557 HydrophobicContact CB-CD1 4.49Å; C553-I557 WeakPolarHBondContact O-CD1 3.27Å; C553-I557 VanDerWaalsContact O-CG1 3.23Å; C553-I557 WeakPolarHBondContact O-CG1 3.46Å; D554-I557 PolarHBondContact O-N 3.32Å; Q555-I557 VanDerWaalsContact C-N 3.25Å; Q555-I557 PolarHBondContact O-N 3.27Å; I557-A561 HydrophobicContact CB-CB 4.29Å; I557-A561 HydrophobicContact CD1-CB 3.81Å; I557-A561 HydrophobicContact CG1-CB 3.59Å; I557-A561 HydrophobicContact CG2-CB 3.92Å; I557-K610 WeakPolarHBondContact O-CE 3.43Å; I557-K610 PolarHBondContact O-NZ 3.13Å
558	V	91.3	Very high	92.9	Very high	75 Å²	75	37.6 Å²	37.6	46%	0.455	21%	0.207	S	C	.	.	S	Bend	trans	-93.1	-58.8	170	-170.3	0	0	0	0	110.6	N609 K610	V558-N609 WeakPolarHBondContact CG1-ND2 3.35Å; V558-K610 VanDerWaalsContact O-CA 3.24Å; V558-K610 WeakPolarHBondContact O-CA 3.33Å; V558-K610 WeakPolarHBondContact O-CG 3.29Å
559	K	92.1	Very high	91.7	Very high	38 Å²	38	38.9 Å²	38.9	17%	0.165	21%	0.214	C	C	.	.	S	Bend	trans	-126.4	-66.5	-177	-65.9	-178.8	175.9	-161.9	0	111.6	P613 L615	K559-P613 WeakPolarHBondContact CD-O 3.39Å; K559-P613 WeakPolarHBondContact CE-O 3.33Å; K559-P613 PolarHBondContact NZ-O 3.4Å; K559-L615 VanDerWaalsContact CE-O 3.27Å; K559-L615 WeakPolarHBondContact CE-O 3.43Å; K559-L615 PolarHBondContact NZ-O 2.86Å
560	T	95.6	Very high	90.5	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.031	25%	0.25	C	S	.	.			trans	-117.4	155	172.9	69	0	0	0	0	110.9	T476 T477 E510 L578	T476-T560 VanDerWaalsContact O-CA 3.32Å; T476-T560 WeakPolarHBondContact O-CA 3.45Å; T476-T560 WeakPolarHBondContact O-CB 3.1Å; T477-T560 HydrophobicContact CG2-CG2 4.44Å; E510-T560 WeakPolarHBondContact CG-OG1 3.47Å; E510-T560 WeakPolarHBondContact OE1-CB 3.37Å; E510-T560 PolarHBondContact OE1-N 2.69Å; E510-T560 VanDerWaalsContact OE1-N 3.13Å; E510-T560 PolarHBondContact OE1-OG1 3.06Å; T560-L578 HydrophobicContact CG2-CD1 3.71Å; T560-L578 HydrophobicContact CG2-CD2 4.4Å; T560-L578 HydrophobicContact CG2-CG 3.61Å
561	A	96.8	Very high	89.9	Confident	2 Å²	2	54 Å²	54	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	159	173.2	0	0	0	0	0	111.4	H475 T476 V507 L508 I557	H475-A561 PolarHBondContact ND1-O 3.42Å; T476-A561 PolarHBondContact N-O 3.44Å; T476-A561 PolarHBondContact O-N 2.84Å; T476-A561 VanDerWaalsContact O-N 3.08Å; T476-A561 PolarHBondContact OG1-N 3.07Å; T476-A561 PolarHBondContact OG1-O 3.38Å; V507-A561 HydrophobicContact CG1-CB 3.75Å; L508-A561 WeakPolarHBondContact O-CA 3.37Å; L508-A561 WeakPolarHBondContact O-CB 3.44Å; I557-A561 HydrophobicContact CB-CB 4.29Å; I557-A561 HydrophobicContact CD1-CB 3.81Å; I557-A561 HydrophobicContact CG1-CB 3.59Å; I557-A561 HydrophobicContact CG2-CB 3.92Å
562	T	97.1	Very high	89.5	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.1	172.6	-52.7	0	0	0	0	108.5	M473 C474 L508 I574 F575	M473-T562 HydrophobicContact CE-CG2 3.64Å; C474-T562 CarbonylContact O-C 3.59Å; C474-T562 WeakPolarHBondContact O-CA 3.41Å; L508-T562 HydrophobicContact CD1-CG2 4.5Å; L508-T562 PolarHBondContact N-O 2.86Å; L508-T562 PolarHBondContact O-N 3.16Å; T562-I574 WeakPolarHBondContact OG1-CA 3.36Å; T562-F575 HydrophobicContact CG2-CD2 3.66Å; T562-F575 HydrophobicContact CG2-CE2 3.71Å; T562-F575 WeakPolarHBondContact OG1-CD2 3.21Å; T562-F575 PolarHBondContact OG1-N 3.38Å
563	I	96.8	Very high	89.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127	179.1	-59	178	0	0	0	107.9	M473 C474 T476 V505 V507 I550	M473-I563 WeakPolarHBondContact CA-O 3.45Å; C474-I563 HydrophobicContact CB-CB 4.12Å; C474-I563 PolarHBondContact N-O 3.16Å; C474-I563 PolarHBondContact O-N 3.11Å; T476-I563 HydrophobicContact CG2-CD1 3.65Å; T476-I563 HydrophobicContact CG2-CG1 4.29Å; V505-I563 HydrophobicContact CB-CG2 3.66Å; V505-I563 HydrophobicContact CG1-CG2 4.03Å; V505-I563 HydrophobicContact CG2-CG2 3.87Å; V507-I563 HydrophobicContact CG2-CG1 4.35Å; I550-I563 HydrophobicContact CD1-CD1 3.53Å
564	T	95.8	Very high	89.5	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	173.6	-179.7	-169.6	0	0	0	0	111.2	L472 M473 K506 L508 N569 A572	L472-T564 WeakPolarHBondContact O-CA 3.33Å; L472-T564 PolarHBondContact O-OG1 3.42Å; M473-T564 PolarHBondContact SD-OG1 2.97Å; M473-T564 VanDerWaalsContact SD-OG1 3.39Å; K506-T564 HydrophobicContact CB-CG2 4.09Å; K506-T564 PolarHBondContact N-O 3.2Å; K506-T564 PolarHBondContact O-N 3.33Å; L508-T564 HydrophobicContact CD1-CG2 4.2Å; L508-T564 HydrophobicContact CG-CG2 4.32Å; T564-N569 PolarHBondContact OG1-ND2 2.7Å; T564-A572 HydrophobicContact CG2-CB 4.19Å
565	E	93.8	Very high	89.7	Confident	60 Å²	60	53.1 Å²	53.1	28%	0.28	27%	0.27	S	S	.	.			trans	-69.8	140.7	171.8	-86.4	161.8	-130.9	0	0	111.8	L472 R567	L472-E565 HydrophobicContact CB-CG 3.88Å; L472-E565 VanDerWaalsContact CB-OE1 3.28Å; L472-E565 WeakPolarHBondContact CB-OE1 3.45Å; L472-E565 PolarHBondContact N-OE1 2.64Å; E565-R567 VanDerWaalsContact C-N 3.25Å; E565-R567 PolarHBondContact O-N 2.94Å
566	P	88.9	Confident	89.7	Confident	50 Å²	50	50.2 Å²	50.2	33%	0.325	25%	0.252	S	S	.	.	S	Bend	trans	-72.3	-17.7	-177.9	29.9	-35.5	0	0	0	113.7	P504 K506 V522	P504-P566 HydrophobicContact CB-CG 4.39Å; P504-P566 VanDerWaalsContact O-CD 3.25Å; P504-P566 WeakPolarHBondContact O-CD 3.28Å; K506-P566 HydrophobicContact CB-CB 4.27Å; V522-P566 HydrophobicContact CG1-CB 4.31Å; V522-P566 HydrophobicContact CG2-CB 4.21Å
567	R	81.1	Confident	89.7	Confident	219 Å²	219	51.9 Å²	51.9	83%	0.826	26%	0.263	S	S	*	.	S	Bend	trans	-136	132.8	177.7	-63.5	-178.3	-179.4	175.4	0.4	108.1	E565	E565-R567 VanDerWaalsContact C-N 3.25Å; E565-R567 PolarHBondContact O-N 2.94Å
568	G	70.6	Confident	89.7	Confident	66 Å²	66	52.6 Å²	52.6	68%	0.68	27%	0.267	S	S	*	.	S	Bend	trans	114.4	-27.6	177.3	0	0	0	0	0	114.4
569	N	74.7	Confident	89.7	Confident	26 Å²	26	51.6 Å²	51.6	14%	0.139	26%	0.257	C	S	.	.			trans	-114.5	54.2	-176.8	-62.6	-18.1	0	0	0	111.9	T564 E571 A572	T564-N569 PolarHBondContact OG1-ND2 2.7Å; N569-E571 PolarHBondContact O-N 2.84Å; N569-A572 HydrophobicContact CB-CB 3.98Å; N569-A572 VanDerWaalsContact O-CB 3.28Å; N569-A572 WeakPolarHBondContact O-CB 3.21Å; N569-A572 PolarHBondContact O-N 2.68Å
570	E	72.4	Confident	89.7	Confident	166 Å²	166	52.4 Å²	52.4	78%	0.776	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.4	-178.5	-66.4	176.6	-174.7	0	0	112.8
571	E	84.4	Confident	89.3	Confident	152 Å²	152	53.4 Å²	53.4	71%	0.71	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	11.7	176.3	-59	-176	176.4	0	0	113.1	N569 Q573	N569-E571 PolarHBondContact O-N 2.84Å; E571-Q573 PolarHBondContact O-N 2.93Å
572	A	88.6	Confident	89	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	27%	0.268	C	S	.	.			trans	-64.2	125.7	176.7	0	0	0	0	0	110.7	L459 M473 L508 Y512 T564 N569	L459-A572 HydrophobicContact CD1-CB 3.92Å; M473-A572 HydrophobicContact SD-CB 4.37Å; L508-A572 HydrophobicContact CD1-CB 4.29Å; Y512-A572 WeakPolarHBondContact CE1-O 3.08Å; T564-A572 HydrophobicContact CG2-CB 4.19Å; N569-A572 HydrophobicContact CB-CB 3.98Å; N569-A572 VanDerWaalsContact O-CB 3.28Å; N569-A572 WeakPolarHBondContact O-CB 3.21Å; N569-A572 PolarHBondContact O-N 2.68Å
573	Q	92.4	Very high	88.7	Confident	57 Å²	57	55.5 Å²	55.5	27%	0.266	28%	0.281	S	S	.	.			trans	-103.4	179.1	170.8	-54.7	-172.4	14.6	0	0	110.5	Y451 T452 G453 L514 E571	Y451-Q573 HydrophobicContact CE2-CB 4.19Å; Y451-Q573 WeakPolarHBondContact CE2-O 3.45Å; Y451-Q573 PolarHBondContact OH-N 3.28Å; Y451-Q573 VanDerWaalsContact OH-N 3.1Å; T452-Q573 WeakPolarHBondContact OG1-CB 3.31Å; T452-Q573 PolarHBondContact OG1-OE1 3.43Å; G453-Q573 VanDerWaalsContact CA-CD 3.43Å; G453-Q573 VanDerWaalsContact CA-OE1 3.23Å; G453-Q573 VanDerWaalsContact N-OE1 3.08Å; L514-Q573 HydrophobicContact CD1-CG 4.15Å; L514-Q573 HydrophobicContact CD2-CG 4.19Å; L514-Q573 HydrophobicContact CG-CG 4.08Å; E571-Q573 PolarHBondContact O-N 2.93Å
574	I	95.1	Very high	88.5	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.077	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-88.7	159.4	-180	61.6	172.3	0	0	0	111.9	T452 L508 G509 E510 Y512 T562	T452-I574 HydrophobicContact CG2-CG1 4.14Å; T452-I574 WeakPolarHBondContact CG2-O 3.45Å; T452-I574 PolarHBondContact N-O 3.42Å; T452-I574 VanDerWaalsContact N-O 3.14Å; T452-I574 PolarHBondContact OG1-O 3.04Å; L508-I574 HydrophobicContact CB-CG2 3.78Å; L508-I574 HydrophobicContact CD1-CG2 4.31Å; G509-I574 WeakPolarHBondContact O-CG2 3.08Å; E510-I574 VanDerWaalsContact O-CD1 3.29Å; E510-I574 WeakPolarHBondContact O-CD1 3.49Å; Y512-I574 HydrophobicContact CD1-CG2 3.91Å; Y512-I574 HydrophobicContact CG-CG2 4.34Å; T562-I574 WeakPolarHBondContact OG1-CA 3.36Å
575	F	95.8	Very high	88.4	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-72.8	144.9	155.4	-65.4	-77	0	0	0	109.8	I447 S450 Y451 M463 M473 H475 L495 T562	I447-F575 HydrophobicContact CD1-CE1 3.84Å; I447-F575 HydrophobicContact CD1-CZ 4.3Å; S450-F575 CarbonylContact O-C 3.53Å; S450-F575 VanDerWaalsContact O-CA 3.31Å; S450-F575 WeakPolarHBondContact O-CA 3.45Å; Y451-F575 HydrophobicContact CD2-CD1 4.02Å; Y451-F575 AromaticContact CD2-CE1 3.79Å; Y451-F575 HydrophobicContact CD2-CE1 3.79Å; Y451-F575 HydrophobicContact CD2-CZ 4.11Å; Y451-F575 HydrophobicContact CG-CE1 4.21Å; M463-F575 HydrophobicContact SD-CE1 4.27Å; M463-F575 HydrophobicContact SD-CZ 3.63Å; M473-F575 HydrophobicContact CE-CE2 4.22Å; M473-F575 HydrophobicContact CE-CZ 4.49Å; H475-F575 HydrophobicContact CB-CD2 3.52Å; H475-F575 HydrophobicContact CB-CE2 3.79Å; H475-F575 HydrophobicContact CB-CG 4.08Å; H475-F575 AromaticContact CG-CD2 3.63Å; H475-F575 AromaticContact CG-CG 3.79Å; H475-F575 AromaticContact ND1-CD2 3.82Å; H475-F575 AromaticContact ND1-CG 3.99Å; L495-F575 HydrophobicContact CD1-CD1 4.43Å; L495-F575 HydrophobicContact CD1-CE1 3.56Å; L495-F575 HydrophobicContact CD1-CE2 3.7Å; L495-F575 HydrophobicContact CD1-CZ 3.12Å; L495-F575 HydrophobicContact CG-CZ 4.47Å; T562-F575 HydrophobicContact CG2-CD2 3.66Å; T562-F575 HydrophobicContact CG2-CE2 3.71Å; T562-F575 WeakPolarHBondContact OG1-CD2 3.21Å; T562-F575 PolarHBondContact OG1-N 3.38Å
576	R	93.1	Very high	88.5	Confident	90 Å²	90	53.7 Å²	53.7	34%	0.34	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55.5	139.5	175.7	-67.9	179.9	-174.6	166.4	4.6	109.6	R218 H449 S450 T452	R218-R576 PolarHBondContact NH1-O 3.18Å; H449-R576 WeakPolarHBondContact O-CD 3.4Å; H449-R576 PolarHBondContact O-NH1 3.09Å; S450-R576 PolarHBondContact O-N 2.99Å; T452-R576 HydrophobicContact CG2-CG 3.75Å
577	P	93.6	Very high	88.8	Confident	61 Å²	61	51.5 Å²	51.5	40%	0.396	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-53.4	163	170.2	-26.4	34.9	0	0	0	112.5	R218 E510 K579	R218-P577 PolarHBondContact NH1-O 3.28Å; E510-P577 HydrophobicContact CB-CG 4.33Å; E510-P577 HydrophobicContact CG-CG 4.28Å; P577-K579 PolarHBondContact O-N 3.46Å
578	L	93.9	Very high	89.5	Confident	16 Å²	16	41.5 Å²	41.5	8%	0.084	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-69.9	122.8	179.7	-64.1	173.5	0	0	0	110.4	T214 S215 R218 T477 T560 F580 P613	T214-L578 HydrophobicContact CG2-CB 4.07Å; T214-L578 HydrophobicContact CG2-CD2 4.29Å; S215-L578 WeakPolarHBondContact OG-CD1 3.28Å; R218-L578 HydrophobicContact CB-CD2 3.64Å; R218-L578 HydrophobicContact CG-CD2 3.82Å; T477-L578 HydrophobicContact CG2-CD2 4.19Å; T560-L578 HydrophobicContact CG2-CD1 3.71Å; T560-L578 HydrophobicContact CG2-CD2 4.4Å; T560-L578 HydrophobicContact CG2-CG 3.61Å; L578-F580 HydrophobicContact CB-CD1 4.39Å; L578-F580 HydrophobicContact CB-CE1 3.77Å; L578-F580 HydrophobicContact CB-CE2 4.31Å; L578-F580 HydrophobicContact CB-CZ 3.72Å; L578-F580 HydrophobicContact CD1-CE1 4.01Å; L578-F580 HydrophobicContact CD1-CZ 4.1Å; L578-F580 PolarHBondContact O-N 2.63Å; L578-P613 HydrophobicContact CD1-CB 4.43Å
579	K	91.4	Very high	90.7	Very high	54 Å²	54	38.7 Å²	38.7	24%	0.235	19%	0.194	C	C	.	.			trans	-87.2	100.3	171.5	-174.5	-179.7	-174	176	0	108.9	H243 P577 N700 E701	H243-K579 PolarHBondContact CE1-O 2.92Å; P577-K579 PolarHBondContact O-N 3.46Å; K579-N700 PolarHBondContact NZ-O 3.21Å; K579-E701 VanDerWaalsContact NZ-CG 3.3Å; K579-E701 IonicContact NZ-OE1 3.63Å; K579-E701 IonicContact NZ-OE2 3.64Å; K579-E701 PolarHBondContact NZ-OE2 2.66Å
580	F	92.8	Very high	91.7	Very high	55 Å²	55	37.5 Å²	37.5	24%	0.241	19%	0.187	C	C	.	.			trans	-72.5	149.3	-178.6	-59.7	-63.7	0	0	0	112.4	D211 T214 L578 T582 P613	D211-F580 HydrophobicContact CB-CD1 3.69Å; D211-F580 HydrophobicContact CB-CE1 3.77Å; D211-F580 HydrophobicContact CB-CG 4.49Å; T214-F580 HydrophobicContact CG2-CD1 3.95Å; T214-F580 HydrophobicContact CG2-CE1 4.3Å; L578-F580 HydrophobicContact CB-CD1 4.39Å; L578-F580 HydrophobicContact CB-CE1 3.77Å; L578-F580 HydrophobicContact CB-CE2 4.31Å; L578-F580 HydrophobicContact CB-CZ 3.72Å; L578-F580 HydrophobicContact CD1-CE1 4.01Å; L578-F580 HydrophobicContact CD1-CZ 4.1Å; L578-F580 PolarHBondContact O-N 2.63Å; F580-T582 WeakPolarHBondContact CB-O 3.48Å; F580-T582 PolarHBondContact O-N 3.15Å; F580-P613 HydrophobicContact CE1-CB 3.67Å; F580-P613 HydrophobicContact CZ-CB 3.61Å; F580-P613 WeakPolarHBondContact CZ-O 3.47Å
581	N	86.5	Confident	92.8	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	-73.7	-18.3	176.5	-163.4	-0.9	0	0	0	112.5	R239	R239-N581 VanDerWaalsContact NH2-C 3.27Å; R239-N581 PolarHBondContact NH2-O 2.8Å; R239-N581 PolarHBondContact NH2-OD1 3.1Å; R239-N581 PolarHBondContact O-ND2 2.88Å
582	T	90.4	Very high	93.3	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.08	14%	0.137	C	C	.	.	S	Bend	trans	-128.3	164.8	-177	-169.7	0	0	0	0	110.2	S210 F580 T630 F899	S210-T582 WeakPolarHBondContact OG-CG2 3.44Å; F580-T582 WeakPolarHBondContact CB-O 3.48Å; F580-T582 PolarHBondContact O-N 3.15Å; T582-T630 HydrophobicContact CG2-CG2 3.62Å; T582-F899 WeakPolarHBondContact OG1-CB 3.34Å
583	A	89.9	Confident	93.6	Very high	35 Å²	35	29.8 Å²	29.8	29%	0.289	16%	0.156	S	C	.	.			trans	-105.4	146	169.9	0	0	0	0	0	110.6	V585 F899	A583-V585 HydrophobicContact CB-CG1 3.98Å; A583-V585 PolarHBondContact O-N 3.3Å; A583-F899 HydrophobicContact CB-CD1 3.72Å; A583-F899 HydrophobicContact CB-CE1 3.95Å; A583-F899 HydrophobicContact CB-CG 4.19Å
584	S	93.8	Very high	93.7	Very high	20 Å²	20	30.9 Å²	30.9	14%	0.14	16%	0.164	C	C	.	.			trans	-80.8	94.9	171.1	-68.7	0	0	0	0	109.7	S614 G629	S584-S614 PolarHBondContact OG-O 3.43Å; S584-S614 PolarHBondContact OG-OG 3.3Å; S584-G629 CarbonylContact C-O 3.45Å; S584-G629 WeakPolarHBondContact CA-O 3.32Å
585	V	93.7	Very high	93.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.193	C	C	.	.			trans	-105.7	-21.9	-173.3	-63	0	0	0	0	114.2	A583 G629 V658 T659 P828 Y830 F899 W902	A583-V585 HydrophobicContact CB-CG1 3.98Å; A583-V585 PolarHBondContact O-N 3.3Å; V585-G629 PolarHBondContact N-O 3.49Å; V585-G629 VanDerWaalsContact N-O 3.09Å; V585-V658 CarbonylContact O-C 3.44Å; V585-V658 VanDerWaalsContact O-CA 3.29Å; V585-V658 WeakPolarHBondContact O-CA 3.25Å; V585-T659 PolarHBondContact O-N 3.04Å; V585-T659 PolarHBondContact O-OG1 3.38Å; V585-P828 HydrophobicContact CB-CB 4.11Å; V585-P828 HydrophobicContact CB-CG 4.1Å; V585-P828 HydrophobicContact CG1-CB 4.04Å; V585-P828 HydrophobicContact CG1-CG 4.47Å; V585-P828 HydrophobicContact CG2-CB 4.34Å; V585-P828 HydrophobicContact CG2-CG 4.49Å; V585-Y830 HydrophobicContact CG2-CE1 3.44Å; V585-Y830 VanDerWaalsContact CG2-CE1 3.44Å; V585-Y830 WeakPolarHBondContact CG2-OH 3.21Å; V585-F899 HydrophobicContact CG1-CD2 3.62Å; V585-F899 HydrophobicContact CG1-CE2 3.94Å; V585-F899 HydrophobicContact CG1-CG 4.13Å; V585-F899 HydrophobicContact CG2-CD2 4.23Å; V585-W902 HydrophobicContact CG1-CH2 4.16Å; V585-W902 HydrophobicContact CG1-CZ2 4.1Å
586	I	95.7	Very high	93.6	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.4	177.9	-52.9	-49.8	0	0	0	108.6	L628 G629 L635 P656 V658 Y830 A875 F879	I586-L628 CarbonylContact O-C 3.52Å; I586-L628 VanDerWaalsContact O-CA 3.24Å; I586-L628 WeakPolarHBondContact O-CA 3.5Å; I586-G629 PolarHBondContact N-O 3.14Å; I586-G629 PolarHBondContact O-N 3.39Å; I586-L635 HydrophobicContact CB-CD1 3.8Å; I586-L635 HydrophobicContact CG2-CD1 3.43Å; I586-L635 VanDerWaalsContact CG2-CD1 3.43Å; I586-P656 HydrophobicContact CG2-CB 4.02Å; I586-V658 HydrophobicContact CD1-CG1 3.94Å; I586-Y830 HydrophobicContact CD1-CE2 4.22Å; I586-Y830 WeakPolarHBondContact CD1-OH 3.37Å; I586-Y830 WeakPolarHBondContact CG1-OH 2.94Å; I586-A875 HydrophobicContact CD1-CB 4.21Å; I586-F879 HydrophobicContact CD1-CE1 3.65Å; I586-F879 HydrophobicContact CD1-CZ 3.88Å; I586-F879 HydrophobicContact CG1-CE1 4.2Å; I586-F879 HydrophobicContact CG2-CE1 3.66Å; I586-F879 HydrophobicContact CG2-CZ 3.94Å
587	K	95.3	Very high	93.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123	-175.8	176.9	178.2	165.9	174.5	0	109.6	E620 V626 I627 L628 V657 T659	K587-E620 IonicContact NZ-OE1 3.18Å; K587-E620 PolarHBondContact NZ-OE1 3.22Å; K587-E620 IonicContact NZ-OE2 3.72Å; K587-E620 PolarHBondContact NZ-OE2 2.78Å; K587-V626 HydrophobicContact CD-CG1 3.82Å; K587-V626 HydrophobicContact CG-CG1 3.43Å; K587-V626 VanDerWaalsContact CG-CG1 3.43Å; K587-I627 WeakPolarHBondContact CA-O 3.37Å; K587-L628 HydrophobicContact CB-CD2 3.59Å; K587-L628 HydrophobicContact CD-CD2 4.35Å; K587-L628 HydrophobicContact CG-CD2 3.78Å; K587-V657 HydrophobicContact CB-CG2 3.82Å; K587-V657 HydrophobicContact CD-CG2 3.94Å; K587-V657 HydrophobicContact CG-CG2 3.93Å; K587-V657 PolarHBondContact N-O 3.43Å; K587-V657 PolarHBondContact O-N 3.42Å; K587-T659 HydrophobicContact CB-CG2 4.39Å
588	I	96	Very high	93.7	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.046	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.4	168.7	58	174.2	0	0	0	109.7	V590 V626 I627 L635 M639 V653 P656	I588-V590 HydrophobicContact CD1-CG1 4.18Å; I588-V590 HydrophobicContact CG1-CG1 4.29Å; I588-V626 WeakPolarHBondContact O-CA 3.18Å; I588-I627 HydrophobicContact CD1-CB 4.18Å; I588-I627 HydrophobicContact CD1-CD1 4.27Å; I588-I627 HydrophobicContact CG1-CB 3.73Å; I588-I627 HydrophobicContact CG1-CG1 4.42Å; I588-I627 PolarHBondContact N-O 2.87Å; I588-I627 PolarHBondContact O-N 3.2Å; I588-L635 HydrophobicContact CD1-CB 4.36Å; I588-L635 HydrophobicContact CD1-CD1 4.32Å; I588-L635 HydrophobicContact CD1-CD2 4.06Å; I588-L635 HydrophobicContact CD1-CG 4.49Å; I588-L635 HydrophobicContact CG1-CD1 4.27Å; I588-L635 HydrophobicContact CG1-CD2 4.34Å; I588-L635 HydrophobicContact CG2-CD1 3.92Å; I588-M639 HydrophobicContact CD1-CG 3.73Å; I588-M639 HydrophobicContact CD1-SD 3.6Å; I588-V653 HydrophobicContact CB-CG1 4.34Å; I588-V653 HydrophobicContact CD1-CG1 4.44Å; I588-P656 HydrophobicContact CG2-CB 3.81Å
589	A	95.1	Very high	93.8	Very high	7 Å²	7	41.3 Å²	41.3	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.1	169.6	0	0	0	0	0	109	H625 A654	A589-H625 CarbonylContact C-O 3.55Å; A589-H625 WeakPolarHBondContact CA-O 3.4Å; A589-A654 HydrophobicContact CB-CB 3.95Å; A589-A654 PolarHBondContact O-N 2.92Å
590	V	96.3	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.4	-175	-58.7	0	0	0	0	111	I588 M601 L605 H625 I627 M639 I651 K652 V653	I588-V590 HydrophobicContact CD1-CG1 4.18Å; I588-V590 HydrophobicContact CG1-CG1 4.29Å; V590-M601 HydrophobicContact CG2-CE 4.46Å; V590-M601 HydrophobicContact CG2-SD 4.47Å; V590-L605 HydrophobicContact CG2-CD1 4.45Å; V590-L605 HydrophobicContact CG2-CD2 4.28Å; V590-H625 HydrophobicContact CG2-CB 3.9Å; V590-H625 PolarHBondContact N-O 2.88Å; V590-H625 WeakPolarHBondContact O-CB 3.17Å; V590-I627 HydrophobicContact CG1-CD1 3.87Å; V590-I627 HydrophobicContact CG1-CG1 4.27Å; V590-I627 HydrophobicContact CG2-CD1 4.02Å; V590-I627 HydrophobicContact CG2-CG1 4.06Å; V590-M639 HydrophobicContact CG1-CE 4.22Å; V590-M639 HydrophobicContact CG1-SD 3.9Å; V590-I651 HydrophobicContact CB-CG2 4.02Å; V590-K652 WeakPolarHBondContact CA-O 3.44Å; V590-V653 HydrophobicContact CG1-CG2 4.21Å
591	E	94.6	Very high	94.1	Very high	78 Å²	78	41.4 Å²	41.4	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.4	177	-68.3	-179.2	173.8	0	0	109.8	I651 K652	E591-I651 CarbonylContact O-C 3.57Å; E591-I651 WeakPolarHBondContact O-CA 3.43Å; E591-I651 WeakPolarHBondContact O-CG2 3.38Å; E591-K652 HydrophobicContact CB-CB 4.47Å; E591-K652 PolarHBondContact N-O 3.2Å; E591-K652 PolarHBondContact O-N 2.94Å; E591-K652 IonicContact OE2-NZ 2.77Å; E591-K652 PolarHBondContact OE2-NZ 2.82Å
592	P	96.1	Very high	94.5	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.065	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.6	170.9	33.8	-35.3	0	0	0	109.4	N594 L598 M601 I649 K652	P592-N594 VanDerWaalsContact C-N 3.3Å; P592-N594 WeakPolarHBondContact CB-O 3.27Å; P592-L598 HydrophobicContact CG-CB 4.35Å; P592-L598 HydrophobicContact CG-CD1 4.21Å; P592-M601 HydrophobicContact CB-SD 4.32Å; P592-M601 VanDerWaalsContact CD-SD 3.55Å; P592-M601 HydrophobicContact CG-SD 4.43Å; P592-I649 HydrophobicContact CB-CD1 4.12Å; P592-K652 WeakPolarHBondContact O-CE 3.49Å
593	V	95.1	Very high	94.8	Very high	69 Å²	69	45.2 Å²	45.2	42%	0.418	26%	0.261	S	S	.	.	S	Bend	trans	-62.2	-44.9	170.2	173.1	0	0	0	0	109.6	D650 K652	V593-D650 HydrophobicContact CB-CB 4.11Å; V593-D650 HydrophobicContact CG2-CB 3.69Å; V593-D650 WeakPolarHBondContact CG2-O 3.44Å; V593-D650 PolarHBondContact N-O 3.4Å; V593-K652 HydrophobicContact CG2-CG 3.8Å
594	N	93.9	Very high	95.1	Very high	81 Å²	81	43.6 Å²	43.6	43%	0.433	25%	0.247	S	C	.	.	S	Bend	trans	-99.8	113	176.3	-63	-35.7	0	0	0	110.3	P592 S596 E597	P592-N594 VanDerWaalsContact C-N 3.3Å; P592-N594 WeakPolarHBondContact CB-O 3.27Å; N594-S596 PolarHBondContact O-N 3.35Å; N594-S596 VanDerWaalsContact O-N 3.16Å; N594-E597 HydrophobicContact CB-CG 4.13Å; N594-E597 PolarHBondContact O-N 2.91Å
595	P	94.3	Very high	95.2	Very high	106 Å²	106	43 Å²	43	69%	0.688	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-59.2	-28.1	-178.4	-27.1	36.2	0	0	0	114.6	E597 L598	P595-E597 PolarHBondContact O-N 3.09Å; P595-L598 VanDerWaalsContact O-CB 3.25Å; P595-L598 WeakPolarHBondContact O-CB 3.25Å; P595-L598 PolarHBondContact O-N 2.94Å; P595-L598 VanDerWaalsContact O-N 3.14Å
596	S	94.5	Very high	95.3	Very high	105 Å²	105	50.8 Å²	50.8	73%	0.734	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.3	176	56.6	0	0	0	0	113.5	N594	N594-S596 PolarHBondContact O-N 3.35Å; N594-S596 VanDerWaalsContact O-N 3.16Å
597	E	94.5	Very high	95.3	Very high	42 Å²	42	52 Å²	52	20%	0.196	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-93	7.3	179.9	-56.3	-162.9	112.3	0	0	113.8	N594 P595 P599 K600 M601 I649	N594-E597 HydrophobicContact CB-CG 4.13Å; N594-E597 PolarHBondContact O-N 2.91Å; P595-E597 PolarHBondContact O-N 3.09Å; E597-P599 VanDerWaalsContact C-CD 3.4Å; E597-P599 VanDerWaalsContact C-N 3.31Å; E597-K600 HydrophobicContact CB-CD 4.49Å; E597-K600 WeakPolarHBondContact O-CB 3.2Å; E597-K600 PolarHBondContact O-N 3.46Å; E597-K600 IonicContact OE1-NZ 2.63Å; E597-K600 PolarHBondContact OE1-NZ 3.41Å; E597-M601 PolarHBondContact O-N 3.06Å; E597-I649 HydrophobicContact CB-CG2 4.09Å; E597-I649 HydrophobicContact CG-CG2 4.49Å; E597-I649 WeakPolarHBondContact OE2-CG2 3.4Å
598	L	94.2	Very high	95.3	Very high	61 Å²	61	51.9 Å²	51.9	32%	0.319	28%	0.277	S	S	.	.	H	α-helix	trans	-50	-42.1	178.2	-177.3	63.1	0	0	0	113.9	P592 P595 K600 M601 L602	P592-L598 HydrophobicContact CG-CB 4.35Å; P592-L598 HydrophobicContact CG-CD1 4.21Å; P595-L598 VanDerWaalsContact O-CB 3.25Å; P595-L598 WeakPolarHBondContact O-CB 3.25Å; P595-L598 PolarHBondContact O-N 2.94Å; P595-L598 VanDerWaalsContact O-N 3.14Å; L598-K600 VanDerWaalsContact C-N 3.3Å; L598-K600 PolarHBondContact O-N 3.34Å; L598-M601 HydrophobicContact CD1-CE 3.77Å; L598-M601 WeakPolarHBondContact O-CB 3.39Å; L598-M601 PolarHBondContact O-N 2.72Å; L598-M601 VanDerWaalsContact O-N 3.13Å; L598-L602 HydrophobicContact CD1-CG 4.34Å; L598-L602 HydrophobicContact CG-CD1 4.21Å; L598-L602 HydrophobicContact CG-CG 4.36Å; L598-L602 WeakPolarHBondContact O-CG 3.4Å; L598-L602 PolarHBondContact O-N 2.81Å
599	P	96.1	Very high	95.3	Very high	90 Å²	90	52.5 Å²	52.5	58%	0.584	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-36.3	177.2	-25.1	35.9	0	0	0	113.8	E597 L602 D603	E597-P599 VanDerWaalsContact C-CD 3.4Å; E597-P599 VanDerWaalsContact C-N 3.31Å; P599-L602 PolarHBondContact O-N 3.18Å; P599-D603 PolarHBondContact O-N 3.49Å
600	K	95	Very high	95.3	Very high	110 Å²	110	53.8 Å²	53.8	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-39.4	176.3	-60.9	179.9	-172	166.7	0	110.9	E597 L598 D603 G604 I649	E597-K600 HydrophobicContact CB-CD 4.49Å; E597-K600 WeakPolarHBondContact O-CB 3.2Å; E597-K600 PolarHBondContact O-N 3.46Å; E597-K600 IonicContact OE1-NZ 2.63Å; E597-K600 PolarHBondContact OE1-NZ 3.41Å; L598-K600 VanDerWaalsContact C-N 3.3Å; L598-K600 PolarHBondContact O-N 3.34Å; K600-D603 PolarHBondContact O-N 3.11Å; K600-G604 PolarHBondContact O-N 3.2Å; K600-I649 HydrophobicContact CB-CG2 4.33Å; K600-I649 HydrophobicContact CD-CG2 3.93Å
601	M	95.6	Very high	95.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-45.5	174.6	-165	-179.6	74.6	0	0	111	V590 P592 E597 L598 D603 G604 L605 H625 I649 I651	V590-M601 HydrophobicContact CG2-CE 4.46Å; V590-M601 HydrophobicContact CG2-SD 4.47Å; P592-M601 HydrophobicContact CB-SD 4.32Å; P592-M601 VanDerWaalsContact CD-SD 3.55Å; P592-M601 HydrophobicContact CG-SD 4.43Å; E597-M601 PolarHBondContact O-N 3.06Å; L598-M601 HydrophobicContact CD1-CE 3.77Å; L598-M601 WeakPolarHBondContact O-CB 3.39Å; L598-M601 PolarHBondContact O-N 2.72Å; L598-M601 VanDerWaalsContact O-N 3.13Å; M601-D603 PolarHBondContact O-N 2.62Å; M601-G604 CarbonylContact O-C 3.59Å; M601-G604 WeakPolarHBondContact O-CA 3.45Å; M601-G604 PolarHBondContact O-N 3.38Å; M601-L605 HydrophobicContact CE-CD1 4.09Å; M601-L605 HydrophobicContact CG-CD1 4.39Å; M601-L605 HydrophobicContact CG-CG 4.47Å; M601-L605 WeakPolarHBondContact O-CB 3.41Å; M601-L605 WeakPolarHBondContact O-CG 3.09Å; M601-L605 PolarHBondContact O-N 3.36Å; M601-H625 HydrophobicContact CE-CB 4.07Å; M601-H625 WeakPolarHBondContact CE-CD2 3.38Å; M601-I649 HydrophobicContact CB-CD1 3.61Å; M601-I649 HydrophobicContact CG-CD1 4.1Å; M601-I651 HydrophobicContact CG-CD1 4.21Å; M601-I651 HydrophobicContact SD-CG2 4.31Å
602	L	95.5	Very high	95.4	Very high	54 Å²	54	50.3 Å²	50.3	28%	0.283	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-41.4	179.3	-71.2	177	0	0	0	112.4	L598 P599 L605 R606 H625	L598-L602 HydrophobicContact CD1-CG 4.34Å; L598-L602 HydrophobicContact CG-CD1 4.21Å; L598-L602 HydrophobicContact CG-CG 4.36Å; L598-L602 WeakPolarHBondContact O-CG 3.4Å; L598-L602 PolarHBondContact O-N 2.81Å; P599-L602 PolarHBondContact O-N 3.18Å; L602-L605 HydrophobicContact CD2-CD1 4.38Å; L602-L605 PolarHBondContact O-N 2.69Å; L602-R606 WeakPolarHBondContact O-CG 3.27Å; L602-R606 PolarHBondContact O-N 3.2Å; L602-H625 WeakPolarHBondContact CD2-CE1 3.49Å
603	D	95	Very high	95.4	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-46.9	171.8	-177.7	62.5	0	0	0	111.2	P599 K600 M601 L605 R606 K607	P599-D603 PolarHBondContact O-N 3.49Å; K600-D603 PolarHBondContact O-N 3.11Å; M601-D603 PolarHBondContact O-N 2.62Å; D603-L605 VanDerWaalsContact C-N 3.32Å; D603-L605 PolarHBondContact O-N 2.85Å; D603-R606 WeakPolarHBondContact O-CB 3.34Å; D603-R606 PolarHBondContact O-N 2.83Å; D603-K607 WeakPolarHBondContact O-CG 3.5Å; D603-K607 PolarHBondContact O-N 2.88Å; D603-K607 WeakPolarHBondContact OD2-CE 3.49Å; D603-K607 IonicContact OD2-NZ 3.06Å; D603-K607 PolarHBondContact OD2-NZ 2.91Å
604	G	95.9	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-42	174.4	0	0	0	0	0	113.3	K600 M601 K607 V608	K600-G604 PolarHBondContact O-N 3.2Å; M601-G604 CarbonylContact O-C 3.59Å; M601-G604 WeakPolarHBondContact O-CA 3.45Å; M601-G604 PolarHBondContact O-N 3.38Å; G604-K607 WeakPolarHBondContact O-CB 3.36Å; G604-K607 PolarHBondContact O-N 2.97Å; G604-V608 PolarHBondContact O-N 2.82Å
605	L	96.7	Very high	95.5	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-42.3	176.6	-76.5	174.9	0	0	0	111.6	V590 M601 L602 D603 K607 V608 N609 T617 H625 I627 L642	V590-L605 HydrophobicContact CG2-CD1 4.45Å; V590-L605 HydrophobicContact CG2-CD2 4.28Å; M601-L605 HydrophobicContact CE-CD1 4.09Å; M601-L605 HydrophobicContact CG-CD1 4.39Å; M601-L605 HydrophobicContact CG-CG 4.47Å; M601-L605 WeakPolarHBondContact O-CB 3.41Å; M601-L605 WeakPolarHBondContact O-CG 3.09Å; M601-L605 PolarHBondContact O-N 3.36Å; L602-L605 HydrophobicContact CD2-CD1 4.38Å; L602-L605 PolarHBondContact O-N 2.69Å; D603-L605 VanDerWaalsContact C-N 3.32Å; D603-L605 PolarHBondContact O-N 2.85Å; L605-K607 VanDerWaalsContact C-N 3.32Å; L605-K607 PolarHBondContact O-N 3.41Å; L605-V608 HydrophobicContact CD2-CG2 4.47Å; L605-V608 WeakPolarHBondContact O-CG2 3.33Å; L605-N609 WeakPolarHBondContact O-CB 3.37Å; L605-N609 PolarHBondContact O-N 3.36Å; L605-T617 HydrophobicContact CB-CG2 4.4Å; L605-T617 HydrophobicContact CD2-CG2 4.06Å; L605-H625 HydrophobicContact CD1-CB 4.05Å; L605-I627 HydrophobicContact CD2-CD1 3.59Å; L605-I627 HydrophobicContact CD2-CG1 3.87Å; L605-L642 HydrophobicContact CD2-CD1 4.33Å; L605-L642 HydrophobicContact CD2-CD2 3.82Å; L605-L642 HydrophobicContact CG-CD1 4.38Å; L605-L642 HydrophobicContact CG-CD2 4.49Å
606	R	95.4	Very high	95.5	Very high	164 Å²	164	40.9 Å²	40.9	62%	0.619	21%	0.212	S	C	*	.	H	α-helix	trans	-61.9	-41.4	173.8	-69.5	172.1	-173.7	159.9	1.4	111.3	L602 D603 N609 K610	L602-R606 WeakPolarHBondContact O-CG 3.27Å; L602-R606 PolarHBondContact O-N 3.2Å; D603-R606 WeakPolarHBondContact O-CB 3.34Å; D603-R606 PolarHBondContact O-N 2.83Å; R606-N609 PolarHBondContact O-N 2.97Å; R606-K610 WeakPolarHBondContact O-CG 3.49Å; R606-K610 PolarHBondContact O-N 2.92Å; R606-K610 VanDerWaalsContact O-N 3.12Å
607	K	95.9	Very high	95.6	Very high	29 Å²	29	37.8 Å²	37.8	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-43.4	179.7	-70	177.6	171.8	160.5	0	112.9	F488 D603 G604 L605 N609 K610 S611 Y646	F488-K607 HydrophobicContact CE2-CB 3.87Å; F488-K607 HydrophobicContact CE2-CD 4.23Å; F488-K607 HydrophobicContact CE2-CG 3.72Å; F488-K607 HydrophobicContact CZ-CB 3.83Å; F488-K607 HydrophobicContact CZ-CG 4.22Å; D603-K607 WeakPolarHBondContact O-CG 3.5Å; D603-K607 PolarHBondContact O-N 2.88Å; D603-K607 WeakPolarHBondContact OD2-CE 3.49Å; D603-K607 IonicContact OD2-NZ 3.06Å; D603-K607 PolarHBondContact OD2-NZ 2.91Å; G604-K607 WeakPolarHBondContact O-CB 3.36Å; G604-K607 PolarHBondContact O-N 2.97Å; L605-K607 VanDerWaalsContact C-N 3.32Å; L605-K607 PolarHBondContact O-N 3.41Å; K607-N609 VanDerWaalsContact C-N 3.31Å; K607-N609 PolarHBondContact O-N 3.17Å; K607-K610 PolarHBondContact O-N 3.01Å; K607-S611 PolarHBondContact O-N 3.27Å; K607-Y646 HydrophobicContact CB-CD1 3.84Å; K607-Y646 HydrophobicContact CB-CD2 4Å; K607-Y646 HydrophobicContact CB-CE1 4.16Å; K607-Y646 HydrophobicContact CB-CE2 4.31Å; K607-Y646 HydrophobicContact CB-CG 3.74Å; K607-Y646 HydrophobicContact CD-CD1 3.7Å; K607-Y646 HydrophobicContact CD-CE1 4.48Å; K607-Y646 HydrophobicContact CD-CG 4Å; K607-Y646 HydrophobicContact CG-CD1 4.36Å
608	V	96.3	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-34.5	173.9	-65.1	0	0	0	0	112.1	G604 L605 K610 S611 Y612 L615 V638 D641 L642 Y646	G604-V608 PolarHBondContact O-N 2.82Å; L605-V608 HydrophobicContact CD2-CG2 4.47Å; L605-V608 WeakPolarHBondContact O-CG2 3.33Å; V608-K610 PolarHBondContact O-N 3.34Å; V608-S611 PolarHBondContact O-N 3.46Å; V608-Y612 HydrophobicContact CB-CD2 4.43Å; V608-Y612 PolarHBondContact O-N 3.04Å; V608-L615 HydrophobicContact CB-CD2 3.77Å; V608-L615 HydrophobicContact CG2-CD2 3.55Å; V608-V638 HydrophobicContact CB-CG1 4.22Å; V608-V638 HydrophobicContact CG1-CG1 4.4Å; V608-V638 HydrophobicContact CG2-CG1 4.32Å; V608-D641 HydrophobicContact CG1-CB 4.47Å; V608-L642 HydrophobicContact CG1-CB 4.01Å; V608-L642 HydrophobicContact CG1-CD1 4.37Å; V608-L642 HydrophobicContact CG2-CD1 4.49Å; V608-Y646 HydrophobicContact CG1-CD2 3.54Å; V608-Y646 HydrophobicContact CG1-CE2 3.67Å
609	N	95.8	Very high	95.4	Very high	23 Å²	23	40.4 Å²	40.4	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-28.3	175.8	-160.3	34.2	0	0	0	112.3	V558 L605 R606 K607 L615 T617	V558-N609 WeakPolarHBondContact CG1-ND2 3.35Å; L605-N609 WeakPolarHBondContact O-CB 3.37Å; L605-N609 PolarHBondContact O-N 3.36Å; R606-N609 PolarHBondContact O-N 2.97Å; K607-N609 VanDerWaalsContact C-N 3.31Å; K607-N609 PolarHBondContact O-N 3.17Å; N609-L615 PolarHBondContact OD1-O 3.36Å; N609-T617 HydrophobicContact CB-CG2 4.31Å
610	K	95.3	Very high	95.1	Very high	33 Å²	33	37 Å²	37	14%	0.143	18%	0.181	C	C	.	.	H	α-helix	trans	-74.9	-42.1	169.7	-66.4	-177.5	-175.2	-158.7	0	113.2	M479 F488 D554 Q555 I557 V558 R606 K607 V608	M479-K610 HydrophobicContact CB-CB 4.15Å; M479-K610 WeakPolarHBondContact CB-O 3.13Å; M479-K610 HydrophobicContact CG-CB 4.16Å; F488-K610 HydrophobicContact CD1-CB 4.47Å; F488-K610 HydrophobicContact CE1-CB 4.35Å; D554-K610 PolarHBondContact O-NZ 3.14Å; Q555-K610 PolarHBondContact O-NZ 3.07Å; I557-K610 WeakPolarHBondContact O-CE 3.43Å; I557-K610 PolarHBondContact O-NZ 3.13Å; V558-K610 VanDerWaalsContact O-CA 3.24Å; V558-K610 WeakPolarHBondContact O-CA 3.33Å; V558-K610 WeakPolarHBondContact O-CG 3.29Å; R606-K610 WeakPolarHBondContact O-CG 3.49Å; R606-K610 PolarHBondContact O-N 2.92Å; R606-K610 VanDerWaalsContact O-N 3.12Å; K607-K610 PolarHBondContact O-N 3.01Å; V608-K610 PolarHBondContact O-N 3.34Å
611	S	95.5	Very high	94.6	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-37.3	-175.4	-176.7	0	0	0	0	113.1	K180 K478 K607 V608	K180-S611 WeakPolarHBondContact CE-OG 3.35Å; K180-S611 PolarHBondContact NZ-O 3.28Å; K180-S611 PolarHBondContact NZ-OG 2.84Å; K478-S611 PolarHBondContact NZ-O 3.08Å; K607-S611 PolarHBondContact O-N 3.27Å; V608-S611 PolarHBondContact O-N 3.46Å
612	Y	97	Very high	94.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.			trans	-112	110.7	-172	-74.7	-88	0	0	0	111.5	I179 K180 F209 V608 S614 L615 Y634 V638 D641	I179-Y612 HydrophobicContact CG2-CE1 4.18Å; K180-Y612 VanDerWaalsContact NZ-CD2 3.3Å; K180-Y612 VanDerWaalsContact NZ-CE2 3.31Å; F209-Y612 HydrophobicContact CE1-CE1 4.27Å; V608-Y612 HydrophobicContact CB-CD2 4.43Å; V608-Y612 PolarHBondContact O-N 3.04Å; Y612-S614 PolarHBondContact O-N 3.33Å; Y612-L615 WeakPolarHBondContact O-CB 3.39Å; Y612-L615 PolarHBondContact O-N 3.16Å; Y612-Y634 WeakPolarHBondContact CB-OH 3.35Å; Y612-Y634 HydrophobicContact CD1-CE1 4.42Å; Y612-Y634 AromaticContact CD1-CE2 3.82Å; Y612-Y634 HydrophobicContact CD1-CE2 3.82Å; Y612-Y634 AromaticContact CD1-CZ 3.79Å; Y612-Y634 HydrophobicContact CE1-CE2 4.49Å; Y612-V638 HydrophobicContact CD1-CG2 3.8Å; Y612-V638 HydrophobicContact CD2-CG2 3.79Å; Y612-V638 HydrophobicContact CE1-CG2 3.81Å; Y612-V638 HydrophobicContact CE2-CB 4.44Å; Y612-V638 HydrophobicContact CE2-CG2 3.82Å; Y612-V638 HydrophobicContact CG-CG2 3.79Å; Y612-D641 HydrophobicContact CE2-CB 4.48Å; Y612-D641 VanDerWaalsContact CE2-OD2 3.28Å; Y612-D641 WeakPolarHBondContact CE2-OD2 3.29Å; Y612-D641 PolarHBondContact OH-OD2 3.43Å
613	P	95.5	Very high	93.8	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.045	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-42.4	-170	-25.6	34.4	0	0	0	115.4	D211 S215 K478 K559 L578 F580 L615	D211-P613 HydrophobicContact CB-CB 4.33Å; S215-P613 WeakPolarHBondContact OG-CG 3.38Å; K478-P613 HydrophobicContact CD-CG 4.05Å; K559-P613 WeakPolarHBondContact CD-O 3.39Å; K559-P613 WeakPolarHBondContact CE-O 3.33Å; K559-P613 PolarHBondContact NZ-O 3.4Å; L578-P613 HydrophobicContact CD1-CB 4.43Å; F580-P613 HydrophobicContact CE1-CB 3.67Å; F580-P613 HydrophobicContact CZ-CB 3.61Å; F580-P613 WeakPolarHBondContact CZ-O 3.47Å; P613-L615 VanDerWaalsContact C-N 3.34Å
614	S	94.6	Very high	93.5	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.042	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.5	-178.8	-166.5	0	0	0	0	113.3	D211 S584 Y612 T616	D211-S614 VanDerWaalsContact CB-CB 3.44Å; D211-S614 VanDerWaalsContact OD2-CB 3.25Å; D211-S614 WeakPolarHBondContact OD2-CB 3.47Å; D211-S614 PolarHBondContact OD2-N 2.75Å; S584-S614 PolarHBondContact OG-O 3.43Å; S584-S614 PolarHBondContact OG-OG 3.3Å; Y612-S614 PolarHBondContact O-N 3.33Å; S614-T616 PolarHBondContact O-N 2.78Å
615	L	96.6	Very high	93.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.			trans	-64.7	139.9	178.8	-160.4	73	0	0	0	109.7	K559 V608 N609 Y612 P613 T617 I627 L628 Y634 L635 V638	K559-L615 VanDerWaalsContact CE-O 3.27Å; K559-L615 WeakPolarHBondContact CE-O 3.43Å; K559-L615 PolarHBondContact NZ-O 2.86Å; V608-L615 HydrophobicContact CB-CD2 3.77Å; V608-L615 HydrophobicContact CG2-CD2 3.55Å; N609-L615 PolarHBondContact OD1-O 3.36Å; Y612-L615 WeakPolarHBondContact O-CB 3.39Å; Y612-L615 PolarHBondContact O-N 3.16Å; P613-L615 VanDerWaalsContact C-N 3.34Å; L615-T617 HydrophobicContact CD2-CG2 4.27Å; L615-I627 HydrophobicContact CD1-CG2 3.42Å; L615-I627 VanDerWaalsContact CD1-CG2 3.42Å; L615-I627 HydrophobicContact CD2-CG2 4.28Å; L615-I627 HydrophobicContact CG-CG2 3.93Å; L615-L628 WeakPolarHBondContact CD1-O 3.5Å; L615-Y634 HydrophobicContact CD1-CD1 4.49Å; L615-Y634 HydrophobicContact CD1-CE1 3.68Å; L615-Y634 PolarHBondContact N-OH 2.52Å; L615-Y634 VanDerWaalsContact N-OH 3.16Å; L615-L635 HydrophobicContact CD1-CD2 4.39Å; L615-V638 HydrophobicContact CD1-CB 4.36Å; L615-V638 HydrophobicContact CD1-CG1 3.85Å; L615-V638 HydrophobicContact CD1-CG2 3.75Å; L615-V638 HydrophobicContact CD2-CG1 3.78Å; L615-V638 HydrophobicContact CD2-CG2 4.48Å
616	T	95	Very high	93.4	Very high	54 Å²	54	40.9 Å²	40.9	33%	0.331	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.2	171.4	-54.9	0	0	0	0	108.6	S614 I627 L628	S614-T616 PolarHBondContact O-N 2.78Å; T616-I627 WeakPolarHBondContact O-CA 3.45Å; T616-L628 HydrophobicContact CG2-CD1 4.39Å; T616-L628 PolarHBondContact N-O 2.96Å; T616-L628 PolarHBondContact O-N 3.18Å
617	T	95.2	Very high	93.5	Very high	41 Å²	41	33 Å²	33	25%	0.252	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.1	173.9	58.3	0	0	0	0	108.9	L605 N609 L615 V626 I627	L605-T617 HydrophobicContact CB-CG2 4.4Å; L605-T617 HydrophobicContact CD2-CG2 4.06Å; N609-T617 HydrophobicContact CB-CG2 4.31Å; L615-T617 HydrophobicContact CD2-CG2 4.27Å; T617-V626 CarbonylContact C-O 3.59Å; T617-V626 WeakPolarHBondContact CA-O 3.37Å; T617-I627 HydrophobicContact CG2-CG1 4.43Å
618	K	92.6	Very high	93.6	Very high	65 Å²	65	32.6 Å²	32.6	28%	0.283	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.8	176.8	64.9	-179.6	-178	168.7	0	110.6	E620 V626 E780	K618-E620 WeakPolarHBondContact CE-OE1 3.46Å; K618-E620 IonicContact NZ-OE1 2.74Å; K618-E620 PolarHBondContact NZ-OE1 2.95Å; K618-V626 HydrophobicContact CG-CB 3.84Å; K618-V626 HydrophobicContact CG-CG1 4.12Å; K618-V626 PolarHBondContact N-O 3.13Å; K618-V626 PolarHBondContact O-N 2.89Å; K618-E780 IonicContact NZ-OE1 3.78Å
619	V	93	Very high	93.5	Very high	93 Å²	93	32.6 Å²	32.6	56%	0.564	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.5	169.1	-167.8	0	0	0	0	106.5	H625	V619-H625 WeakPolarHBondContact CG2-ND1 3.48Å
620	E	88.9	Confident	93.5	Very high	18 Å²	18	31.6 Å²	31.6	8%	0.084	18%	0.179	C	C	.	.			trans	-86.4	166.1	176.2	-61.1	-162.7	151.7	0	0	110.8	K587 K618 S622 G623 E624 V626	K587-E620 IonicContact NZ-OE1 3.18Å; K587-E620 PolarHBondContact NZ-OE1 3.22Å; K587-E620 IonicContact NZ-OE2 3.72Å; K587-E620 PolarHBondContact NZ-OE2 2.78Å; K618-E620 WeakPolarHBondContact CE-OE1 3.46Å; K618-E620 IonicContact NZ-OE1 2.74Å; K618-E620 PolarHBondContact NZ-OE1 2.95Å; E620-S622 PolarHBondContact O-N 2.82Å; E620-S622 VanDerWaalsContact O-N 3.17Å; E620-G623 PolarHBondContact O-N 3.37Å; E620-E624 PolarHBondContact N-O 2.95Å; E620-V626 HydrophobicContact CG-CB 4.49Å; E620-V626 HydrophobicContact CG-CG2 3.77Å
621	E	85	Confident	93.4	Very high	155 Å²	155	30 Å²	30	72%	0.724	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.6	-178	-63.3	-169.9	163.3	0	0	113.2	G623	E621-G623 PolarHBondContact O-N 3.2Å
622	S	86.6	Confident	93.3	Very high	52 Å²	52	33.1 Å²	33.1	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10	173	54.7	0	0	0	0	114	E620 E624 R938	E620-S622 PolarHBondContact O-N 2.82Å; E620-S622 VanDerWaalsContact O-N 3.17Å; S622-E624 VanDerWaalsContact C-N 3.27Å; S622-R938 PolarHBondContact OG-O 2.8Å
623	G	87	Confident	93.2	Very high	43 Å²	43	34.6 Å²	34.6	44%	0.443	19%	0.193	S	C	.	.	S	Bend	trans	84.2	-2.9	-171.2	0	0	0	0	0	113.6	E620 E621	E620-G623 PolarHBondContact O-N 3.37Å; E621-G623 PolarHBondContact O-N 3.2Å
624	E	90.2	Very high	93.3	Very high	46 Å²	46	34.2 Å²	34.2	22%	0.215	19%	0.191	C	C	.	.			trans	-67.9	133.2	176.1	-70.1	-174.6	-176.2	0	0	111.2	E620 S622 R938	E620-E624 PolarHBondContact N-O 2.95Å; S622-E624 VanDerWaalsContact C-N 3.27Å; E624-R938 VanDerWaalsContact OE2-CG 3.27Å; E624-R938 WeakPolarHBondContact OE2-CG 3.43Å; E624-R938 IonicContact OE2-NE 3.48Å
625	H	95.1	Very high	93.4	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.4	171.3	-61.6	-71.2	0	0	0	110.2	A589 V590 M601 L602 L605 V619	A589-H625 CarbonylContact C-O 3.55Å; A589-H625 WeakPolarHBondContact CA-O 3.4Å; V590-H625 HydrophobicContact CG2-CB 3.9Å; V590-H625 PolarHBondContact N-O 2.88Å; V590-H625 WeakPolarHBondContact O-CB 3.17Å; M601-H625 HydrophobicContact CE-CB 4.07Å; M601-H625 WeakPolarHBondContact CE-CD2 3.38Å; L602-H625 WeakPolarHBondContact CD2-CE1 3.49Å; L605-H625 HydrophobicContact CD1-CB 4.05Å; V619-H625 WeakPolarHBondContact CG2-ND1 3.48Å
626	V	95.4	Very high	93.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134	-174.5	172.2	0	0	0	0	110.3	K587 I588 T617 K618 E620 L628	K587-V626 HydrophobicContact CD-CG1 3.82Å; K587-V626 HydrophobicContact CG-CG1 3.43Å; K587-V626 VanDerWaalsContact CG-CG1 3.43Å; I588-V626 WeakPolarHBondContact O-CA 3.18Å; T617-V626 CarbonylContact C-O 3.59Å; T617-V626 WeakPolarHBondContact CA-O 3.37Å; K618-V626 HydrophobicContact CG-CB 3.84Å; K618-V626 HydrophobicContact CG-CG1 4.12Å; K618-V626 PolarHBondContact N-O 3.13Å; K618-V626 PolarHBondContact O-N 2.89Å; E620-V626 HydrophobicContact CG-CB 4.49Å; E620-V626 HydrophobicContact CG-CG2 3.77Å; V626-L628 HydrophobicContact CG1-CD2 4Å; V626-L628 HydrophobicContact CG1-CG 4.49Å
627	I	97.2	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.4	173.1	-50.8	-179.7	0	0	0	108.8	K587 I588 V590 L605 L615 T616 T617 L635 V638 M639 L642	K587-I627 WeakPolarHBondContact CA-O 3.37Å; I588-I627 HydrophobicContact CD1-CB 4.18Å; I588-I627 HydrophobicContact CD1-CD1 4.27Å; I588-I627 HydrophobicContact CG1-CB 3.73Å; I588-I627 HydrophobicContact CG1-CG1 4.42Å; I588-I627 PolarHBondContact N-O 2.87Å; I588-I627 PolarHBondContact O-N 3.2Å; V590-I627 HydrophobicContact CG1-CD1 3.87Å; V590-I627 HydrophobicContact CG1-CG1 4.27Å; V590-I627 HydrophobicContact CG2-CD1 4.02Å; V590-I627 HydrophobicContact CG2-CG1 4.06Å; L605-I627 HydrophobicContact CD2-CD1 3.59Å; L605-I627 HydrophobicContact CD2-CG1 3.87Å; L615-I627 HydrophobicContact CD1-CG2 3.42Å; L615-I627 VanDerWaalsContact CD1-CG2 3.42Å; L615-I627 HydrophobicContact CD2-CG2 4.28Å; L615-I627 HydrophobicContact CG-CG2 3.93Å; T616-I627 WeakPolarHBondContact O-CA 3.45Å; T617-I627 HydrophobicContact CG2-CG1 4.43Å; I627-L635 HydrophobicContact CG2-CD2 3.86Å; I627-V638 HydrophobicContact CG2-CG1 4.42Å; I627-M639 HydrophobicContact CD1-SD 3.89Å; I627-L642 HydrophobicContact CD1-CD2 4.15Å
628	L	96.7	Very high	93.6	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.4	172.2	-53.5	179.3	0	0	0	110.4	I586 K587 L615 T616 V626 T659	I586-L628 CarbonylContact O-C 3.52Å; I586-L628 VanDerWaalsContact O-CA 3.24Å; I586-L628 WeakPolarHBondContact O-CA 3.5Å; K587-L628 HydrophobicContact CB-CD2 3.59Å; K587-L628 HydrophobicContact CD-CD2 4.35Å; K587-L628 HydrophobicContact CG-CD2 3.78Å; L615-L628 WeakPolarHBondContact CD1-O 3.5Å; T616-L628 HydrophobicContact CG2-CD1 4.39Å; T616-L628 PolarHBondContact N-O 2.96Å; T616-L628 PolarHBondContact O-N 3.18Å; V626-L628 HydrophobicContact CG1-CD2 4Å; V626-L628 HydrophobicContact CG1-CG 4.49Å; L628-T659 HydrophobicContact CD1-CG2 4.19Å; L628-T659 HydrophobicContact CD2-CG2 3.56Å
629	G	96.2	Very high	93.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	174.6	178.6	0	0	0	0	0	113.2	S584 V585 I586	S584-G629 CarbonylContact C-O 3.45Å; S584-G629 WeakPolarHBondContact CA-O 3.32Å; V585-G629 PolarHBondContact N-O 3.49Å; V585-G629 VanDerWaalsContact N-O 3.09Å; I586-G629 PolarHBondContact N-O 3.14Å; I586-G629 PolarHBondContact O-N 3.39Å
630	T	95.1	Very high	93.9	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.157	C	C	.	.	S	Bend	trans	-83.3	-23.3	-172.1	55.7	0	0	0	0	114.1	N208 T582 Y634 Y830	N208-T630 WeakPolarHBondContact CA-OG1 3.12Å; N208-T630 WeakPolarHBondContact CB-OG1 3.43Å; N208-T630 WeakPolarHBondContact O-CB 3.26Å; N208-T630 PolarHBondContact O-OG1 3.49Å; T582-T630 HydrophobicContact CG2-CG2 3.62Å; T630-Y634 WeakPolarHBondContact OG1-CB 3.38Å; T630-Y634 WeakPolarHBondContact OG1-CD2 3.43Å; T630-Y634 VanDerWaalsContact OG1-CG 3.27Å; T630-Y830 PolarHBondContact O-OH 3.31Å
631	G	93.7	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	176.5	-178.8	-177.9	0	0	0	0	0	112.8	Y634 L635	G631-Y634 WeakPolarHBondContact O-CB 3.49Å; G631-Y634 PolarHBondContact O-N 2.7Å; G631-L635 PolarHBondContact O-N 3.03Å; G631-L635 VanDerWaalsContact O-N 3.14Å
632	E	92.9	Very high	94.8	Very high	72 Å²	72	20.9 Å²	20.9	34%	0.336	12%	0.119	S	C	.	.	H	α-helix	trans	-58.4	-57	-174.4	-72.2	174.8	-140.7	0	0	113.4	Y634 L635 D636 S878 F879 G880	E632-Y634 PolarHBondContact O-N 3.19Å; E632-Y634 VanDerWaalsContact O-N 3.14Å; E632-L635 PolarHBondContact O-N 3.17Å; E632-D636 WeakPolarHBondContact O-CB 3.34Å; E632-D636 PolarHBondContact O-N 3.01Å; E632-S878 VanDerWaalsContact OE1-O 3.12Å; E632-F879 HydrophobicContact CG-CD1 4.31Å; E632-F879 WeakPolarHBondContact OE1-CA 3.2Å; E632-G880 PolarHBondContact OE1-N 3.07Å
633	L	95.3	Very high	95.2	Very high	30 Å²	30	22.9 Å²	22.9	16%	0.157	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-32.3	-178.5	-178.5	62.3	0	0	0	112.4	R175 V177 F209 C637	R175-L633 VanDerWaalsContact NH1-CD1 3.31Å; V177-L633 HydrophobicContact CG1-CD2 4.47Å; F209-L633 HydrophobicContact CE2-CD2 3.95Å; F209-L633 HydrophobicContact CE2-CG 4.02Å; F209-L633 HydrophobicContact CZ-CG 4.15Å; L633-C637 PolarHBondContact O-N 3.26Å; L633-C637 PolarHBondContact O-SG 3.34Å
634	Y	97.2	Very high	95.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-51	178.2	-176	-89.2	0	0	0	111.4	N208 F209 D211 Y612 L615 T630 G631 E632 D636 C637 V638	N208-Y634 VanDerWaalsContact O-CD2 3.29Å; N208-Y634 WeakPolarHBondContact O-CD2 3.44Å; F209-Y634 AromaticContact CD1-CD2 3.38Å; F209-Y634 HydrophobicContact CD1-CD2 3.38Å; F209-Y634 AromaticContact CD1-CE2 3.92Å; F209-Y634 HydrophobicContact CD1-CE2 3.92Å; F209-Y634 HydrophobicContact CD1-CG 4.4Å; F209-Y634 AromaticContact CE1-CD2 3.49Å; F209-Y634 HydrophobicContact CE1-CD2 3.49Å; F209-Y634 VanDerWaalsContact CE1-CD2 3.49Å; F209-Y634 HydrophobicContact CE1-CE2 4.28Å; F209-Y634 HydrophobicContact CE1-CG 4.11Å; F209-Y634 HydrophobicContact CG-CD2 4.4Å; D211-Y634 VanDerWaalsContact OD2-CE2 3.28Å; D211-Y634 WeakPolarHBondContact OD2-CE2 3.45Å; D211-Y634 PolarHBondContact OD2-OH 2.97Å; Y612-Y634 WeakPolarHBondContact CB-OH 3.35Å; Y612-Y634 HydrophobicContact CD1-CE1 4.42Å; Y612-Y634 AromaticContact CD1-CE2 3.82Å; Y612-Y634 HydrophobicContact CD1-CE2 3.82Å; Y612-Y634 AromaticContact CD1-CZ 3.79Å; Y612-Y634 HydrophobicContact CE1-CE2 4.49Å; L615-Y634 HydrophobicContact CD1-CD1 4.49Å; L615-Y634 HydrophobicContact CD1-CE1 3.68Å; L615-Y634 PolarHBondContact N-OH 2.52Å; L615-Y634 VanDerWaalsContact N-OH 3.16Å; T630-Y634 WeakPolarHBondContact OG1-CB 3.38Å; T630-Y634 WeakPolarHBondContact OG1-CD2 3.43Å; T630-Y634 VanDerWaalsContact OG1-CG 3.27Å; G631-Y634 WeakPolarHBondContact O-CB 3.49Å; G631-Y634 PolarHBondContact O-N 2.7Å; E632-Y634 PolarHBondContact O-N 3.19Å; E632-Y634 VanDerWaalsContact O-N 3.14Å; Y634-D636 VanDerWaalsContact C-N 3.3Å; Y634-D636 PolarHBondContact O-N 3.35Å; Y634-C637 PolarHBondContact O-N 2.94Å; Y634-V638 HydrophobicContact CD1-CG2 3.95Å; Y634-V638 HydrophobicContact CE1-CG2 3.89Å; Y634-V638 VanDerWaalsContact O-CG2 3.23Å; Y634-V638 WeakPolarHBondContact O-CG2 3.45Å; Y634-V638 PolarHBondContact O-N 3.34Å
635	L	96.9	Very high	95.6	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.052	12%	0.116	C	C	.	.	H	α-helix	trans	-67.7	-31.6	179.3	-72.5	177.7	0	0	0	112.3	I586 I588 L615 I627 G631 E632 V638 M639	I586-L635 HydrophobicContact CB-CD1 3.8Å; I586-L635 HydrophobicContact CG2-CD1 3.43Å; I586-L635 VanDerWaalsContact CG2-CD1 3.43Å; I588-L635 HydrophobicContact CD1-CB 4.36Å; I588-L635 HydrophobicContact CD1-CD1 4.32Å; I588-L635 HydrophobicContact CD1-CD2 4.06Å; I588-L635 HydrophobicContact CD1-CG 4.49Å; I588-L635 HydrophobicContact CG1-CD1 4.27Å; I588-L635 HydrophobicContact CG1-CD2 4.34Å; I588-L635 HydrophobicContact CG2-CD1 3.92Å; L615-L635 HydrophobicContact CD1-CD2 4.39Å; I627-L635 HydrophobicContact CG2-CD2 3.86Å; G631-L635 PolarHBondContact O-N 3.03Å; G631-L635 VanDerWaalsContact O-N 3.14Å; E632-L635 PolarHBondContact O-N 3.17Å; L635-V638 PolarHBondContact O-N 3.16Å; L635-M639 VanDerWaalsContact O-CB 3.29Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3Å
636	D	96.5	Very high	95.6	Very high	76 Å²	76	25 Å²	25	41%	0.406	11%	0.114	S	C	.	.	H	α-helix	trans	-62.3	-45.5	173.4	-174.9	31.5	0	0	0	111.5	R175 E632 Y634 M639 H640	R175-D636 IonicContact CZ-OD2 3.64Å; R175-D636 IonicContact NH1-OD2 2.78Å; R175-D636 PolarHBondContact NH1-OD2 3.39Å; R175-D636 VanDerWaalsContact NH2-CG 3.29Å; R175-D636 IonicContact NH2-OD1 3.62Å; R175-D636 IonicContact NH2-OD2 3.43Å; R175-D636 PolarHBondContact NH2-OD2 3.26Å; E632-D636 WeakPolarHBondContact O-CB 3.34Å; E632-D636 PolarHBondContact O-N 3.01Å; Y634-D636 VanDerWaalsContact C-N 3.3Å; Y634-D636 PolarHBondContact O-N 3.35Å; D636-M639 PolarHBondContact O-N 2.8Å; D636-H640 WeakPolarHBondContact O-CB 3.43Å; D636-H640 PolarHBondContact O-N 3.39Å
637	C	96.8	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-43.4	173.1	-68.3	0	0	0	0	112.6	I179 F209 L633 Y634 M639 H640 D641	I179-C637 HydrophobicContact CD1-CB 4.4Å; I179-C637 VanDerWaalsContact CD1-SG 3.5Å; I179-C637 HydrophobicContact CG2-CB 4.25Å; F209-C637 HydrophobicContact CE1-CB 4.4Å; F209-C637 HydrophobicContact CZ-CB 4.2Å; L633-C637 PolarHBondContact O-N 3.26Å; L633-C637 PolarHBondContact O-SG 3.34Å; Y634-C637 PolarHBondContact O-N 2.94Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 2.75Å; C637-H640 WeakPolarHBondContact O-CB 3.18Å; C637-H640 PolarHBondContact O-N 3.44Å; C637-D641 VanDerWaalsContact O-CG 3.26Å; C637-D641 PolarHBondContact O-N 3.26Å
638	V	97.3	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-44.2	176.3	170.8	0	0	0	0	111.2	V608 Y612 L615 I627 Y634 L635 D641 L642	V608-V638 HydrophobicContact CB-CG1 4.22Å; V608-V638 HydrophobicContact CG1-CG1 4.4Å; V608-V638 HydrophobicContact CG2-CG1 4.32Å; Y612-V638 HydrophobicContact CD1-CG2 3.8Å; Y612-V638 HydrophobicContact CD2-CG2 3.79Å; Y612-V638 HydrophobicContact CE1-CG2 3.81Å; Y612-V638 HydrophobicContact CE2-CB 4.44Å; Y612-V638 HydrophobicContact CE2-CG2 3.82Å; Y612-V638 HydrophobicContact CG-CG2 3.79Å; L615-V638 HydrophobicContact CD1-CB 4.36Å; L615-V638 HydrophobicContact CD1-CG1 3.85Å; L615-V638 HydrophobicContact CD1-CG2 3.75Å; L615-V638 HydrophobicContact CD2-CG1 3.78Å; L615-V638 HydrophobicContact CD2-CG2 4.48Å; I627-V638 HydrophobicContact CG2-CG1 4.42Å; Y634-V638 HydrophobicContact CD1-CG2 3.95Å; Y634-V638 HydrophobicContact CE1-CG2 3.89Å; Y634-V638 VanDerWaalsContact O-CG2 3.23Å; Y634-V638 WeakPolarHBondContact O-CG2 3.45Å; Y634-V638 PolarHBondContact O-N 3.34Å; L635-V638 PolarHBondContact O-N 3.16Å; V638-D641 PolarHBondContact O-N 3.39Å; V638-L642 VanDerWaalsContact O-CB 3.32Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 2.98Å
639	M	96.8	Very high	94.8	Very high	9 Å²	9	30 Å²	30	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-35.2	179.4	-74.1	-52	-48.6	0	0	112.2	I588 V590 I627 L635 D636 C637 L642 R643 I651 V653	I588-M639 HydrophobicContact CD1-CG 3.73Å; I588-M639 HydrophobicContact CD1-SD 3.6Å; V590-M639 HydrophobicContact CG1-CE 4.22Å; V590-M639 HydrophobicContact CG1-SD 3.9Å; I627-M639 HydrophobicContact CD1-SD 3.89Å; L635-M639 VanDerWaalsContact O-CB 3.29Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3Å; D636-M639 PolarHBondContact O-N 2.8Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 2.75Å; M639-L642 HydrophobicContact CE-CD2 3.96Å; M639-L642 HydrophobicContact SD-CD2 4.13Å; M639-R643 HydrophobicContact CE-CG 4.33Å; M639-R643 VanDerWaalsContact O-CB 3.3Å; M639-R643 WeakPolarHBondContact O-CB 3.44Å; M639-R643 WeakPolarHBondContact O-CD 3.37Å; M639-R643 VanDerWaalsContact O-CG 3.25Å; M639-R643 WeakPolarHBondContact O-CG 3.42Å; M639-R643 PolarHBondContact O-N 3.12Å; M639-I651 HydrophobicContact CE-CB 4.47Å; M639-I651 HydrophobicContact CE-CG2 4.03Å; M639-V653 HydrophobicContact CE-CG2 3.45Å; M639-V653 VanDerWaalsContact CE-CG2 3.45Å; M639-V653 HydrophobicContact SD-CG2 4.23Å
640	H	95.9	Very high	94.8	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.255	17%	0.169	S	C	.	.	H	α-helix	trans	-58.9	-51.5	170.8	173.7	-85.4	0	0	0	110.7	T171 D636 C637 L642 R643 K644	T171-H640 PolarHBondContact OG1-CE1 3.33Å; T171-H640 PolarHBondContact OG1-ND1 2.63Å; D636-H640 WeakPolarHBondContact O-CB 3.43Å; D636-H640 PolarHBondContact O-N 3.39Å; C637-H640 WeakPolarHBondContact O-CB 3.18Å; C637-H640 PolarHBondContact O-N 3.44Å; H640-L642 PolarHBondContact O-N 3.12Å; H640-R643 PolarHBondContact O-N 3.37Å; H640-K644 VanDerWaalsContact O-CB 3.28Å; H640-K644 WeakPolarHBondContact O-CB 3.42Å; H640-K644 PolarHBondContact O-N 2.79Å
641	D	95.8	Very high	94.8	Very high	2 Å²	2	36 Å²	36	1%	0.011	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-39.5	-177.3	-61.7	-8.4	0	0	0	111.4	V608 Y612 C637 V638 R643 M645 Y646	V608-D641 HydrophobicContact CG1-CB 4.47Å; Y612-D641 HydrophobicContact CE2-CB 4.48Å; Y612-D641 VanDerWaalsContact CE2-OD2 3.28Å; Y612-D641 WeakPolarHBondContact CE2-OD2 3.29Å; Y612-D641 PolarHBondContact OH-OD2 3.43Å; C637-D641 VanDerWaalsContact O-CG 3.26Å; C637-D641 PolarHBondContact O-N 3.26Å; V638-D641 PolarHBondContact O-N 3.39Å; D641-R643 PolarHBondContact O-N 2.96Å; D641-M645 HydrophobicContact CB-CB 4.5Å; D641-M645 HydrophobicContact CB-CG 4.35Å; D641-M645 HydrophobicContact CB-SD 3.89Å; D641-M645 VanDerWaalsContact CG-SD 3.57Å; D641-M645 WeakPolarHBondContact O-CA 3.49Å; D641-M645 VanDerWaalsContact O-CB 3.29Å; D641-M645 WeakPolarHBondContact O-CB 3.32Å; D641-M645 PolarHBondContact O-N 2.74Å; D641-Y646 HydrophobicContact CB-CD2 4.35Å; D641-Y646 HydrophobicContact CB-CE2 3.99Å; D641-Y646 WeakPolarHBondContact O-CD2 2.94Å; D641-Y646 PolarHBondContact O-N 3.49Å; D641-Y646 VanDerWaalsContact O-N 3.08Å
642	L	96.3	Very high	94.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-57.4	-51.8	174	-177.2	59.6	0	0	0	110.9	L605 V608 I627 V638 M639 H640 S647 I651	L605-L642 HydrophobicContact CD2-CD1 4.33Å; L605-L642 HydrophobicContact CD2-CD2 3.82Å; L605-L642 HydrophobicContact CG-CD1 4.38Å; L605-L642 HydrophobicContact CG-CD2 4.49Å; V608-L642 HydrophobicContact CG1-CB 4.01Å; V608-L642 HydrophobicContact CG1-CD1 4.37Å; V608-L642 HydrophobicContact CG2-CD1 4.49Å; I627-L642 HydrophobicContact CD1-CD2 4.15Å; V638-L642 VanDerWaalsContact O-CB 3.32Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 2.98Å; M639-L642 HydrophobicContact CE-CD2 3.96Å; M639-L642 HydrophobicContact SD-CD2 4.13Å; H640-L642 PolarHBondContact O-N 3.12Å; L642-S647 WeakPolarHBondContact O-CB 3.5Å; L642-S647 PolarHBondContact O-N 3.03Å; L642-S647 PolarHBondContact O-OG 3.23Å; L642-I651 HydrophobicContact CD1-CD1 4.49Å; L642-I651 HydrophobicContact CD2-CD1 3.66Å; L642-I651 HydrophobicContact CG-CD1 3.6Å
643	R	95.4	Very high	95	Very high	93 Å²	93	39.9 Å²	39.9	35%	0.351	19%	0.191	S	C	.	.	I	π-helix	trans	-73.2	-38.4	-176.2	-71.7	170	169.8	166.5	-8.6	113.4	M639 H640 D641 E648 I651	M639-R643 HydrophobicContact CE-CG 4.33Å; M639-R643 VanDerWaalsContact O-CB 3.3Å; M639-R643 WeakPolarHBondContact O-CB 3.44Å; M639-R643 WeakPolarHBondContact O-CD 3.37Å; M639-R643 VanDerWaalsContact O-CG 3.25Å; M639-R643 WeakPolarHBondContact O-CG 3.42Å; M639-R643 PolarHBondContact O-N 3.12Å; H640-R643 PolarHBondContact O-N 3.37Å; D641-R643 PolarHBondContact O-N 2.96Å; R643-E648 WeakPolarHBondContact O-CA 3.36Å; R643-E648 PolarHBondContact O-N 3.28Å; R643-I651 HydrophobicContact CG-CB 4.25Å; R643-I651 HydrophobicContact CG-CD1 3.96Å; R643-I651 HydrophobicContact CG-CG1 4.21Å; R643-I651 PolarHBondContact NH2-O 3.23Å
644	K	92.5	Very high	95	Very high	128 Å²	128	40.3 Å²	40.3	56%	0.557	20%	0.198	S	C	*	.	I	π-helix	trans	-102.6	-40.7	-169.9	-61.9	-58.8	-174.2	-172	0	114	F100 H640	F100-K644 WeakPolarHBondContact CE1-O 3.42Å; F100-K644 VanDerWaalsContact CZ-O 3.27Å; F100-K644 WeakPolarHBondContact CZ-O 3.34Å; H640-K644 VanDerWaalsContact O-CB 3.28Å; H640-K644 WeakPolarHBondContact O-CB 3.42Å; H640-K644 PolarHBondContact O-N 2.79Å
645	M	92.9	Very high	94.8	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.044	23%	0.233	C	C	.	.	I	π-helix	trans	-87.6	-45.8	-174.9	-62.3	-179.4	60.2	0	0	112.2	F100 L169 D641	F100-M645 HydrophobicContact CB-CE 3.88Å; F100-M645 HydrophobicContact CB-CG 4.27Å; F100-M645 HydrophobicContact CB-SD 4.41Å; F100-M645 HydrophobicContact CD1-CG 3.82Å; F100-M645 HydrophobicContact CD2-CB 4.36Å; F100-M645 HydrophobicContact CD2-CE 4.43Å; F100-M645 HydrophobicContact CD2-CG 4.24Å; F100-M645 HydrophobicContact CE1-CG 4.18Å; F100-M645 HydrophobicContact CE2-CB 4.38Å; F100-M645 HydrophobicContact CG-CB 4.46Å; F100-M645 HydrophobicContact CG-CE 4.25Å; F100-M645 HydrophobicContact CG-CG 3.85Å; F100-M645 HydrophobicContact CZ-CB 4.49Å; L169-M645 HydrophobicContact CD2-CE 4.25Å; D641-M645 HydrophobicContact CB-CB 4.5Å; D641-M645 HydrophobicContact CB-CG 4.35Å; D641-M645 HydrophobicContact CB-SD 3.89Å; D641-M645 VanDerWaalsContact CG-SD 3.57Å; D641-M645 WeakPolarHBondContact O-CA 3.49Å; D641-M645 VanDerWaalsContact O-CB 3.29Å; D641-M645 WeakPolarHBondContact O-CB 3.32Å; D641-M645 PolarHBondContact O-N 2.74Å
646	Y	94.4	Very high	94.7	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.071	25%	0.246	C	C	.	.	I	π-helix	trans	-103.3	-46.3	-164.9	-58.5	-52	0	0	0	114.9	G485 F488 K607 V608 D641	G485-Y646 WeakPolarHBondContact O-CD1 3.39Å; F488-Y646 HydrophobicContact CE1-CE1 4.5Å; F488-Y646 HydrophobicContact CE2-CE1 4.22Å; F488-Y646 HydrophobicContact CZ-CD1 4.48Å; F488-Y646 AromaticContact CZ-CE1 3.61Å; F488-Y646 HydrophobicContact CZ-CE1 3.61Å; F488-Y646 AromaticContact CZ-CZ 3.72Å; K607-Y646 HydrophobicContact CB-CD1 3.84Å; K607-Y646 HydrophobicContact CB-CD2 4Å; K607-Y646 HydrophobicContact CB-CE1 4.16Å; K607-Y646 HydrophobicContact CB-CE2 4.31Å; K607-Y646 HydrophobicContact CB-CG 3.74Å; K607-Y646 HydrophobicContact CD-CD1 3.7Å; K607-Y646 HydrophobicContact CD-CE1 4.48Å; K607-Y646 HydrophobicContact CD-CG 4Å; K607-Y646 HydrophobicContact CG-CD1 4.36Å; V608-Y646 HydrophobicContact CG1-CD2 3.54Å; V608-Y646 HydrophobicContact CG1-CE2 3.67Å; D641-Y646 HydrophobicContact CB-CD2 4.35Å; D641-Y646 HydrophobicContact CB-CE2 3.99Å; D641-Y646 WeakPolarHBondContact O-CD2 2.94Å; D641-Y646 PolarHBondContact O-N 3.49Å; D641-Y646 VanDerWaalsContact O-N 3.08Å
647	S	90.6	Very high	94.6	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	24%	0.238	C	C	.	.			trans	-102.3	-31.9	-170.4	69	0	0	0	0	114.7	L642 I649	L642-S647 WeakPolarHBondContact O-CB 3.5Å; L642-S647 PolarHBondContact O-N 3.03Å; L642-S647 PolarHBondContact O-OG 3.23Å; S647-I649 PolarHBondContact O-N 3.41Å; S647-I649 WeakPolarHBondContact OG-CG1 3.29Å
648	E	89.9	Confident	94.5	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.239	S	C	.	.			trans	52.9	31.1	-175	-63.4	-172.7	158.8	0	0	114.7	K98 R643	K98-E648 WeakPolarHBondContact CD-OE1 3.4Å; K98-E648 WeakPolarHBondContact CE-OE1 3.24Å; K98-E648 WeakPolarHBondContact CE-OE2 3.39Å; K98-E648 IonicContact NZ-OE1 2.73Å; K98-E648 PolarHBondContact NZ-OE1 3.16Å; K98-E648 IonicContact NZ-OE2 3.99Å; K98-E648 PolarHBondContact NZ-OE2 3.37Å; R643-E648 WeakPolarHBondContact O-CA 3.36Å; R643-E648 PolarHBondContact O-N 3.28Å
649	I	93.2	Very high	94.4	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-115.9	161.3	176.8	62.4	170.2	0	0	0	111	P592 E597 K600 M601 S647 I651	P592-I649 HydrophobicContact CB-CD1 4.12Å; E597-I649 HydrophobicContact CB-CG2 4.09Å; E597-I649 HydrophobicContact CG-CG2 4.49Å; E597-I649 WeakPolarHBondContact OE2-CG2 3.4Å; K600-I649 HydrophobicContact CB-CG2 4.33Å; K600-I649 HydrophobicContact CD-CG2 3.93Å; M601-I649 HydrophobicContact CB-CD1 3.61Å; M601-I649 HydrophobicContact CG-CD1 4.1Å; S647-I649 PolarHBondContact O-N 3.41Å; S647-I649 WeakPolarHBondContact OG-CG1 3.29Å; I649-I651 HydrophobicContact CD1-CD1 4.32Å; I649-I651 HydrophobicContact CD1-CG1 4.01Å; I649-I651 HydrophobicContact CG1-CD1 4.11Å; I649-I651 HydrophobicContact CG1-CG1 3.77Å
650	D	94.4	Very high	94.3	Very high	118 Å²	118	47.5 Å²	47.5	63%	0.631	24%	0.242	S	C	*	.			trans	-81.5	127.1	170.2	-67.1	-42.5	0	0	0	110.1	V593	V593-D650 HydrophobicContact CB-CB 4.11Å; V593-D650 HydrophobicContact CG2-CB 3.69Å; V593-D650 WeakPolarHBondContact CG2-O 3.44Å; V593-D650 PolarHBondContact N-O 3.4Å
651	I	96.1	Very high	94.4	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.046	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.9	-174.1	-58	179	0	0	0	109.1	V590 E591 M601 M639 L642 R643 I649 V653	V590-I651 HydrophobicContact CB-CG2 4.02Å; E591-I651 CarbonylContact O-C 3.57Å; E591-I651 WeakPolarHBondContact O-CA 3.43Å; E591-I651 WeakPolarHBondContact O-CG2 3.38Å; M601-I651 HydrophobicContact CG-CD1 4.21Å; M601-I651 HydrophobicContact SD-CG2 4.31Å; M639-I651 HydrophobicContact CE-CB 4.47Å; M639-I651 HydrophobicContact CE-CG2 4.03Å; L642-I651 HydrophobicContact CD1-CD1 4.49Å; L642-I651 HydrophobicContact CD2-CD1 3.66Å; L642-I651 HydrophobicContact CG-CD1 3.6Å; R643-I651 HydrophobicContact CG-CB 4.25Å; R643-I651 HydrophobicContact CG-CD1 3.96Å; R643-I651 HydrophobicContact CG-CG1 4.21Å; R643-I651 PolarHBondContact NH2-O 3.23Å; I649-I651 HydrophobicContact CD1-CD1 4.32Å; I649-I651 HydrophobicContact CD1-CG1 4.01Å; I649-I651 HydrophobicContact CG1-CD1 4.11Å; I649-I651 HydrophobicContact CG1-CG1 3.77Å; I651-V653 HydrophobicContact CG2-CG2 4.29Å
652	K	95.4	Very high	94.4	Very high	98 Å²	98	45.1 Å²	45.1	43%	0.426	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130	166.8	-66.7	179.1	-82.5	150.9	0	108.7	V590 E591 P592 V593	V590-K652 WeakPolarHBondContact CA-O 3.44Å; E591-K652 HydrophobicContact CB-CB 4.47Å; E591-K652 PolarHBondContact N-O 3.2Å; E591-K652 PolarHBondContact O-N 2.94Å; E591-K652 IonicContact OE2-NZ 2.77Å; E591-K652 PolarHBondContact OE2-NZ 2.82Å; P592-K652 WeakPolarHBondContact O-CE 3.49Å; V593-K652 HydrophobicContact CG2-CG 3.8Å
653	V	96.1	Very high	94.4	Very high	57 Å²	57	45.3 Å²	45.3	35%	0.345	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.7	177.5	179	0	0	0	0	107.3	I588 V590 M639 I651	I588-V653 HydrophobicContact CB-CG1 4.34Å; I588-V653 HydrophobicContact CD1-CG1 4.44Å; V590-V653 HydrophobicContact CG1-CG2 4.21Å; M639-V653 HydrophobicContact CE-CG2 3.45Å; M639-V653 VanDerWaalsContact CE-CG2 3.45Å; M639-V653 HydrophobicContact SD-CG2 4.23Å; I651-V653 HydrophobicContact CG2-CG2 4.29Å
654	A	94.2	Very high	94.5	Very high	38 Å²	38	41 Å²	41	31%	0.314	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-75.7	163.3	174.5	0	0	0	0	0	111.2	A589	A589-A654 HydrophobicContact CB-CB 3.95Å; A589-A654 PolarHBondContact O-N 2.92Å
655	D	93.3	Very high	94.5	Very high	136 Å²	136	37.5 Å²	37.5	73%	0.727	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-55.9	136.1	174.1	-69.6	-25.6	0	0	0	110.9	V657	D655-V657 PolarHBondContact O-N 3.47Å
656	P	94.8	Very high	94.6	Very high	49 Å²	49	42.8 Å²	42.8	32%	0.318	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63.6	136.5	179.1	28.5	-34.5	0	0	0	109.7	I586 I588 F879	I586-P656 HydrophobicContact CG2-CB 4.02Å; I588-P656 HydrophobicContact CG2-CB 3.81Å; P656-F879 HydrophobicContact CB-CD1 4.18Å; P656-F879 HydrophobicContact CB-CE1 3.73Å; P656-F879 HydrophobicContact CB-CE2 4.13Å; P656-F879 HydrophobicContact CB-CZ 3.7Å; P656-F879 HydrophobicContact CG-CD1 3.92Å; P656-F879 HydrophobicContact CG-CD2 4.12Å; P656-F879 HydrophobicContact CG-CE1 3.99Å; P656-F879 HydrophobicContact CG-CE2 4.19Å; P656-F879 HydrophobicContact CG-CG 4Å; P656-F879 HydrophobicContact CG-CZ 4.13Å; P656-F879 WeakPolarHBondContact O-CE2 3.01Å
657	V	94.5	Very high	94.5	Very high	40 Å²	40	45.5 Å²	45.5	24%	0.242	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-175.7	171.2	-57.5	0	0	0	0	108.7	K587 D655	K587-V657 HydrophobicContact CB-CG2 3.82Å; K587-V657 HydrophobicContact CD-CG2 3.94Å; K587-V657 HydrophobicContact CG-CG2 3.93Å; K587-V657 PolarHBondContact N-O 3.43Å; K587-V657 PolarHBondContact O-N 3.42Å; D655-V657 PolarHBondContact O-N 3.47Å
658	V	95.4	Very high	94.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.8	176.4	-60.7	0	0	0	0	110.6	V585 I586 F660 P828 A875 I876 F879	V585-V658 CarbonylContact O-C 3.44Å; V585-V658 VanDerWaalsContact O-CA 3.29Å; V585-V658 WeakPolarHBondContact O-CA 3.25Å; I586-V658 HydrophobicContact CD1-CG1 3.94Å; V658-F660 HydrophobicContact CG2-CD1 4.27Å; V658-F660 HydrophobicContact CG2-CE1 3.73Å; V658-F660 HydrophobicContact CG2-CE2 4.15Å; V658-F660 HydrophobicContact CG2-CZ 3.66Å; V658-P828 HydrophobicContact CB-CG 3.77Å; V658-P828 HydrophobicContact CG1-CG 4.22Å; V658-P828 HydrophobicContact CG2-CG 4.06Å; V658-A875 HydrophobicContact CG1-CB 3.83Å; V658-I876 HydrophobicContact CG1-CB 4.18Å; V658-I876 HydrophobicContact CG2-CB 4.17Å; V658-F879 HydrophobicContact CG1-CZ 4.1Å
659	T	94.2	Very high	94.2	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.08	25%	0.251	C	S	.	.			trans	-73.5	138.7	161.2	53.1	0	0	0	0	108.8	V585 K587 L628 P828 W902	V585-T659 PolarHBondContact O-N 3.04Å; V585-T659 PolarHBondContact O-OG1 3.38Å; K587-T659 HydrophobicContact CB-CG2 4.39Å; L628-T659 HydrophobicContact CD1-CG2 4.19Å; L628-T659 HydrophobicContact CD2-CG2 3.56Å; T659-P828 WeakPolarHBondContact O-CD 3.19Å; T659-P828 WeakPolarHBondContact O-CG 3.44Å; T659-W902 WeakPolarHBondContact O-CH2 3.32Å; T659-W902 VanDerWaalsContact O-CZ3 3.28Å; T659-W902 WeakPolarHBondContact O-CZ3 3.33Å
660	F	95.9	Very high	93.7	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	26%	0.257	C	S	.	.			trans	-99.7	170.3	174.3	-64.6	-78	0	0	0	109.3	V658 E780 M826 E827 I876 F931	V658-F660 HydrophobicContact CG2-CD1 4.27Å; V658-F660 HydrophobicContact CG2-CE1 3.73Å; V658-F660 HydrophobicContact CG2-CE2 4.15Å; V658-F660 HydrophobicContact CG2-CZ 3.66Å; F660-E780 HydrophobicContact CB-CG 4.44Å; F660-E780 WeakPolarHBondContact O-CB 3.39Å; F660-M826 WeakPolarHBondContact CA-O 3.41Å; F660-E827 HydrophobicContact CD1-CB 4.25Å; F660-E827 HydrophobicContact CE1-CB 4.13Å; F660-I876 HydrophobicContact CZ-CD1 4.47Å; F660-F931 HydrophobicContact CE1-CB 4.09Å; F660-F931 AromaticContact CE1-CD2 3.56Å; F660-F931 HydrophobicContact CE1-CD2 3.56Å; F660-F931 HydrophobicContact CE1-CE2 4.15Å; F660-F931 AromaticContact CE1-CG 3.93Å; F660-F931 HydrophobicContact CE1-CG 3.93Å; F660-F931 HydrophobicContact CE2-CB 4.11Å; F660-F931 HydrophobicContact CE2-CG 4.46Å; F660-F931 HydrophobicContact CZ-CB 3.7Å; F660-F931 HydrophobicContact CZ-CD1 4.18Å; F660-F931 AromaticContact CZ-CD2 3.73Å; F660-F931 HydrophobicContact CZ-CD2 3.73Å; F660-F931 HydrophobicContact CZ-CE2 4.38Å; F660-F931 AromaticContact CZ-CG 3.61Å; F660-F931 HydrophobicContact CZ-CG 3.61Å
661	C	96.1	Very high	93.5	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162	159.8	-65.9	0	0	0	0	109.7	P781 R783 L825 M826 W902	C661-P781 CarbonylContact C-O 3.58Å; C661-P781 WeakPolarHBondContact CA-O 3.11Å; C661-P781 WeakPolarHBondContact CB-O 3.44Å; C661-R783 HydrophobicContact CB-CB 3.81Å; C661-L825 CarbonylContact O-C 3.49Å; C661-M826 HydrophobicContact CB-CB 4.17Å; C661-M826 PolarHBondContact N-O 3.27Å; C661-M826 PolarHBondContact O-N 3.05Å; C661-W902 HydrophobicContact CB-CD2 4.43Å; C661-W902 HydrophobicContact CB-CE3 4.17Å; C661-W902 HydrophobicContact CB-CZ3 4.35Å
662	E	96.5	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	178.5	-52.9	-175	-173.9	0	0	110	P776 L777 C778 P781 I782 R783 F818 L825	E662-P776 WeakPolarHBondContact OE2-CD 3.13Å; E662-P776 VanDerWaalsContact OE2-N 3.15Å; E662-L777 HydrophobicContact CB-CD1 4.26Å; E662-L777 VanDerWaalsContact CD-CB 3.44Å; E662-L777 VanDerWaalsContact CD-N 3.31Å; E662-L777 HydrophobicContact CG-CB 4.18Å; E662-L777 HydrophobicContact CG-CD1 4.1Å; E662-L777 HydrophobicContact CG-CG 4.36Å; E662-L777 WeakPolarHBondContact OE1-CA 3.39Å; E662-L777 WeakPolarHBondContact OE1-CB 3.28Å; E662-L777 PolarHBondContact OE1-N 3.32Å; E662-L777 WeakPolarHBondContact OE2-CB 3.4Å; E662-L777 WeakPolarHBondContact OE2-CG 3.27Å; E662-L777 PolarHBondContact OE2-N 3.21Å; E662-C778 PolarHBondContact OE1-N 2.9Å; E662-P781 PolarHBondContact N-O 2.92Å; E662-I782 HydrophobicContact CB-CG1 4.39Å; E662-I782 CarbonylContact O-C 3.5Å; E662-I782 WeakPolarHBondContact O-CA 3.38Å; E662-R783 PolarHBondContact O-N 2.76Å; E662-F818 HydrophobicContact CB-CE1 4.2Å; E662-F818 HydrophobicContact CB-CE2 4.32Å; E662-F818 HydrophobicContact CB-CZ 3.6Å; E662-L825 HydrophobicContact CG-CD2 4.18Å
663	T	96.9	Very high	93	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	171.6	-179.6	-159.3	0	0	0	0	112	R783 F818 P823 R824 M826 I904	T663-R783 VanDerWaalsContact CB-O 3.24Å; T663-R783 WeakPolarHBondContact CB-O 3.31Å; T663-R783 PolarHBondContact OG1-O 3.41Å; T663-F818 WeakPolarHBondContact O-CZ 3.31Å; T663-P823 CarbonylContact O-C 2.73Å; T663-P823 WeakPolarHBondContact O-CA 3.44Å; T663-R824 HydrophobicContact CG2-CB 4.03Å; T663-R824 PolarHBondContact N-O 3.46Å; T663-R824 PolarHBondContact O-N 2.82Å; T663-M826 HydrophobicContact CG2-CG 3.5Å; T663-M826 VanDerWaalsContact CG2-CG 3.5Å; T663-M826 HydrophobicContact CG2-SD 3.8Å; T663-I904 HydrophobicContact CG2-CD1 4.32Å; T663-I904 HydrophobicContact CG2-CG1 3.98Å
664	V	96.2	Very high	92.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148	174.7	-59.7	0	0	0	0	109	P689 V785 F818 A821	V664-P689 HydrophobicContact CG2-CB 4.18Å; V664-V785 HydrophobicContact CG1-CG1 4.33Å; V664-V785 HydrophobicContact CG1-CG2 4.25Å; V664-V785 HydrophobicContact CG2-CB 4.36Å; V664-V785 HydrophobicContact CG2-CG1 3.83Å; V664-V785 HydrophobicContact CG2-CG2 3.93Å; V664-F818 HydrophobicContact CG1-CD2 3.51Å; V664-F818 HydrophobicContact CG1-CE2 3.51Å; V664-F818 HydrophobicContact CG1-CG 4.2Å; V664-F818 HydrophobicContact CG1-CZ 4.17Å; V664-A821 HydrophobicContact CB-CB 3.93Å; V664-A821 VanDerWaalsContact CB-O 3.29Å; V664-A821 WeakPolarHBondContact CB-O 3.4Å; V664-A821 HydrophobicContact CG1-CB 3.62Å
665	V	94.1	Very high	92.6	Very high	55 Å²	55	39.7 Å²	39.7	33%	0.333	22%	0.216	S	C	.	.	S	Bend	trans	-108.2	-23.1	177.7	-68.7	0	0	0	0	113.1	T822 R824 I904	V665-T822 HydrophobicContact CG2-CG2 3.67Å; V665-T822 WeakPolarHBondContact CG2-O 3.45Å; V665-R824 HydrophobicContact CG1-CB 4.47Å; V665-R824 HydrophobicContact CG1-CG 3.74Å; V665-R824 HydrophobicContact CG2-CG 4.24Å; V665-I904 HydrophobicContact CG1-CD1 3.74Å
666	E	93.6	Very high	92.5	Very high	120 Å²	120	33.2 Å²	33.2	56%	0.561	18%	0.182	S	C	*	.	S	Bend	trans	-133.9	160	-177.3	-70.7	179.2	175	0	0	109.7	A821	E666-A821 WeakPolarHBondContact O-CB 3.34Å; E666-A821 VanDerWaalsContact O-O 3.1Å
667	T	93.4	Very high	92.3	Very high	75 Å²	75	35.8 Å²	35.8	46%	0.46	20%	0.199	S	C	.	.			trans	-66.9	144.3	174.4	-54	0	0	0	0	110.3	S669 A687 E688	T667-S669 PolarHBondContact O-N 2.99Å; T667-A687 CarbonylContact C-O 3.59Å; T667-A687 WeakPolarHBondContact CA-O 3.46Å; T667-E688 HydrophobicContact CG2-CB 4.21Å
668	S	89.8	Confident	92.1	Very high	11 Å²	11	36.2 Å²	36.2	8%	0.077	20%	0.199	C	C	.	.			trans	-51.3	126.5	174.5	61	0	0	0	0	111.3	L670 I686 A687 M820	S668-L670 PolarHBondContact O-N 2.8Å; S668-L670 PolarHBondContact OG-O 3.48Å; S668-I686 WeakPolarHBondContact OG-CA 3.07Å; S668-I686 WeakPolarHBondContact OG-CB 3.42Å; S668-I686 WeakPolarHBondContact OG-CG2 3.41Å; S668-A687 PolarHBondContact N-O 2.73Å; S668-A687 PolarHBondContact OG-N 2.93Å; S668-M820 WeakPolarHBondContact CA-O 3.4Å
669	S	83.3	Confident	91.8	Very high	79 Å²	79	44.1 Å²	44.1	55%	0.552	23%	0.234	S	C	*	.	S	Bend	trans	-60.2	-30.5	179.6	53.9	0	0	0	0	112.6	T667 M820	T667-S669 PolarHBondContact O-N 2.99Å; S669-M820 PolarHBondContact N-O 2.63Å
670	L	84.3	Confident	91.7	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	25%	0.25	C	C	.	.	S	Bend	trans	-130.5	147.8	-175	-61.7	177	0	0	0	112.1	S668 C672 L959 V964	S668-L670 PolarHBondContact O-N 2.8Å; S668-L670 PolarHBondContact OG-O 3.48Å; L670-C672 PolarHBondContact O-N 3.35Å; L670-C672 PolarHBondContact O-SG 3.43Å; L670-C672 VanDerWaalsContact O-SG 3.37Å; L670-L959 HydrophobicContact CD1-CD2 3.26Å; L670-V964 HydrophobicContact CD1-CB 4.44Å; L670-V964 HydrophobicContact CD1-CG2 4.28Å
671	K	89	Confident	91.5	Very high	142 Å²	142	48 Å²	48	62%	0.617	25%	0.249	S	C	*	.			trans	-73.2	115.6	171.3	-60.2	-175.1	-179	-173.3	0	108.3	T684 I686 L790	K671-T684 HydrophobicContact CB-CG2 3.97Å; K671-I686 HydrophobicContact CB-CG2 4.35Å; K671-I686 HydrophobicContact CG-CG2 4Å; K671-L790 HydrophobicContact CD-CD1 3.64Å; K671-L790 HydrophobicContact CG-CD1 3.79Å
672	C	89.5	Confident	91.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	-175.5	-60.1	0	0	0	0	110	L670 T684 M685 V813 S816 A817 M955	L670-C672 PolarHBondContact O-N 3.35Å; L670-C672 PolarHBondContact O-SG 3.43Å; L670-C672 VanDerWaalsContact O-SG 3.37Å; C672-T684 CarbonylContact O-C 3.55Å; C672-T684 WeakPolarHBondContact O-CA 3.19Å; C672-T684 WeakPolarHBondContact O-CG2 3.32Å; C672-M685 PolarHBondContact N-O 3.38Å; C672-M685 PolarHBondContact O-N 2.78Å; C672-V813 WeakPolarHBondContact O-CG2 3.46Å; C672-S816 WeakPolarHBondContact CB-OG 3.47Å; C672-S816 PolarHBondContact SG-O 2.84Å; C672-A817 HydrophobicContact CB-CB 4.2Å; C672-M955 VanDerWaalsContact CA-CE 3.44Å; C672-M955 HydrophobicContact CB-CE 3.61Å; C672-M955 HydrophobicContact CB-SD 4.3Å; C672-M955 VanDerWaalsContact SG-CE 3.51Å
673	F	91.1	Very high	91.3	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.3	175.8	68.6	-94.1	0	0	0	111.9	E675 K682 I683 T684 P954 M955 E958	F673-E675 HydrophobicContact CD2-CG 4.41Å; F673-K682 HydrophobicContact CB-CD 4.49Å; F673-K682 VanDerWaalsContact CB-CE 3.5Å; F673-K682 HydrophobicContact CB-CG 4.18Å; F673-K682 HydrophobicContact CD2-CD 4.04Å; F673-K682 HydrophobicContact CD2-CG 4.18Å; F673-K682 VanDerWaalsContact CD2-NZ 3.29Å; F673-K682 VanDerWaalsContact CE2-NZ 3.32Å; F673-K682 HydrophobicContact CG-CD 4.38Å; F673-K682 HydrophobicContact CG-CG 4.49Å; F673-I683 CarbonylContact C-O 3.5Å; F673-I683 WeakPolarHBondContact CA-O 3.47Å; F673-T684 HydrophobicContact CB-CG2 4.33Å; F673-P954 HydrophobicContact CE2-CB 4.3Å; F673-P954 HydrophobicContact CZ-CB 4.12Å; F673-M955 HydrophobicContact CD1-CG 4.3Å; F673-M955 HydrophobicContact CD1-SD 4.43Å; F673-M955 HydrophobicContact CE1-CB 3.96Å; F673-M955 HydrophobicContact CE1-CG 3.96Å; F673-M955 HydrophobicContact CE2-CB 4.2Å; F673-M955 HydrophobicContact CZ-CB 3.76Å; F673-M955 HydrophobicContact CZ-CG 4.28Å; F673-M955 VanDerWaalsContact O-SD 3.37Å; F673-E958 WeakPolarHBondContact CE1-OE2 3.45Å
674	A	91.2	Very high	91.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.2	170.1	0	0	0	0	0	110.3	K682 I683 T809 R812 V813 D952	A674-K682 WeakPolarHBondContact O-CA 3.33Å; A674-I683 PolarHBondContact N-O 2.81Å; A674-I683 PolarHBondContact O-N 3.49Å; A674-T809 HydrophobicContact CB-CG2 3.7Å; A674-R812 HydrophobicContact CB-CB 4.37Å; A674-V813 HydrophobicContact CB-CB 3.82Å; A674-D952 WeakPolarHBondContact CA-OD2 3.36Å
675	E	92.2	Very high	91.2	Very high	48 Å²	48	50.5 Å²	50.5	22%	0.224	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.9	175.1	-66.4	-178.4	-179.4	0	0	110.9	F673 N681 K682 D952	F673-E675 HydrophobicContact CD2-CG 4.41Å; E675-N681 CarbonylContact C-O 3.56Å; E675-N681 VanDerWaalsContact CA-O 3.31Å; E675-N681 WeakPolarHBondContact CA-O 3.34Å; E675-K682 HydrophobicContact CG-CB 4.14Å; E675-K682 HydrophobicContact CG-CD 4.31Å; E675-K682 HydrophobicContact CG-CG 4.09Å; E675-D952 PolarHBondContact N-OD2 2.92Å
676	T	91.7	Very high	91.3	Very high	1 Å²	1	49 Å²	49	1%	0.006	25%	0.25	C	C	.	.			trans	-66.3	154.6	172.7	46.9	0	0	0	0	110.5	N678 K679 N681 Q805 T809	T676-N678 WeakPolarHBondContact CB-OD1 3.21Å; T676-N678 PolarHBondContact O-N 2.98Å; T676-N678 PolarHBondContact OG1-OD1 2.8Å; T676-K679 WeakPolarHBondContact O-CA 3.39Å; T676-K679 PolarHBondContact O-N 2.7Å; T676-N681 HydrophobicContact CG2-CB 3.72Å; T676-N681 PolarHBondContact N-O 3.08Å; T676-N681 PolarHBondContact OG1-N 2.83Å; T676-N681 PolarHBondContact OG1-ND2 3.08Å; T676-N681 VanDerWaalsContact OG1-ND2 3.14Å; T676-N681 PolarHBondContact OG1-O 3.33Å; T676-Q805 HydrophobicContact CG2-CB 4.15Å; T676-Q805 WeakPolarHBondContact CG2-O 3.45Å; T676-T809 HydrophobicContact CG2-CG2 4.08Å; T676-T809 WeakPolarHBondContact CG2-OG1 3.21Å
677	P	89.1	Confident	91.4	Very high	103 Å²	103	43.3 Å²	43.3	67%	0.669	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32	177.9	-29	35.3	0	0	0	114.1	K679	P677-K679 PolarHBondContact O-N 2.92Å
678	N	90.7	Very high	91.5	Very high	49 Å²	49	41.1 Å²	41.1	26%	0.262	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.4	175.2	69.7	13.7	0	0	0	114.7	T676 K680 H800	T676-N678 WeakPolarHBondContact CB-OD1 3.21Å; T676-N678 PolarHBondContact O-N 2.98Å; T676-N678 PolarHBondContact OG1-OD1 2.8Å; N678-K680 WeakPolarHBondContact O-CG 3.45Å; N678-K680 PolarHBondContact O-N 3.48Å; N678-K680 WeakPolarHBondContact OD1-CB 3.19Å; N678-K680 PolarHBondContact OD1-N 3.32Å; N678-H800 PolarHBondContact ND2-O 3.38Å
679	K	90.3	Very high	91.8	Very high	169 Å²	169	42.7 Å²	42.7	74%	0.735	22%	0.218	S	C	*	.	S	Bend	trans	57.5	21.3	-178.1	-54.2	-175.4	179.2	-175	0	115.3	T676 P677	T676-K679 WeakPolarHBondContact O-CA 3.39Å; T676-K679 PolarHBondContact O-N 2.7Å; P677-K679 PolarHBondContact O-N 2.92Å
680	K	90.9	Very high	92.4	Very high	96 Å²	96	39.4 Å²	39.4	42%	0.417	19%	0.194	S	C	.	.			trans	-101.5	-19.2	-177.7	-63.9	-170.3	176.7	-167.5	0	114.1	N678 A795 H800	N678-K680 WeakPolarHBondContact O-CG 3.45Å; N678-K680 PolarHBondContact O-N 3.48Å; N678-K680 WeakPolarHBondContact OD1-CB 3.19Å; N678-K680 PolarHBondContact OD1-N 3.32Å; K680-A795 HydrophobicContact CB-CB 3.98Å; K680-H800 HydrophobicContact CB-CB 4.5Å; K680-H800 HydrophobicContact CD-CB 3.78Å; K680-H800 VanDerWaalsContact CD-CG 3.49Å; K680-H800 PolarHBondContact NZ-CD2 3.43Å; K680-H800 PolarHBondContact NZ-CE1 2.95Å; K680-H800 VanDerWaalsContact NZ-CE1 3.3Å; K680-H800 PolarHBondContact NZ-NE2 2.92Å
681	N	92.5	Very high	92.8	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.202	C	C	.	.			trans	-122.7	139.6	175.9	-40.6	-88.4	0	0	0	109.8	E675 T676 V793 I794 A795 H800	E675-N681 CarbonylContact C-O 3.56Å; E675-N681 VanDerWaalsContact CA-O 3.31Å; E675-N681 WeakPolarHBondContact CA-O 3.34Å; T676-N681 HydrophobicContact CG2-CB 3.72Å; T676-N681 PolarHBondContact N-O 3.08Å; T676-N681 PolarHBondContact OG1-N 2.83Å; T676-N681 PolarHBondContact OG1-ND2 3.08Å; T676-N681 VanDerWaalsContact OG1-ND2 3.14Å; T676-N681 PolarHBondContact OG1-O 3.33Å; N681-V793 CarbonylContact C-O 3.47Å; N681-V793 WeakPolarHBondContact CA-O 3.32Å; N681-I794 HydrophobicContact CB-CD1 4.24Å; N681-A795 PolarHBondContact OD1-N 3.5Å; N681-H800 PolarHBondContact ND2-O 2.73Å
682	K	93.6	Very high	92.8	Very high	55 Å²	55	44.2 Å²	44.2	24%	0.239	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.5	177.5	179.9	175.6	172.7	150.3	0	108.6	F673 A674 E675 A792 V793	F673-K682 HydrophobicContact CB-CD 4.49Å; F673-K682 VanDerWaalsContact CB-CE 3.5Å; F673-K682 HydrophobicContact CB-CG 4.18Å; F673-K682 HydrophobicContact CD2-CD 4.04Å; F673-K682 HydrophobicContact CD2-CG 4.18Å; F673-K682 VanDerWaalsContact CD2-NZ 3.29Å; F673-K682 VanDerWaalsContact CE2-NZ 3.32Å; F673-K682 HydrophobicContact CG-CD 4.38Å; F673-K682 HydrophobicContact CG-CG 4.49Å; A674-K682 WeakPolarHBondContact O-CA 3.33Å; E675-K682 HydrophobicContact CG-CB 4.14Å; E675-K682 HydrophobicContact CG-CD 4.31Å; E675-K682 HydrophobicContact CG-CG 4.09Å; K682-A792 CarbonylContact O-C 3.58Å; K682-A792 WeakPolarHBondContact O-CA 3.47Å; K682-V793 HydrophobicContact CB-CB 4.12Å; K682-V793 HydrophobicContact CB-CG2 4.49Å; K682-V793 PolarHBondContact N-O 3.04Å; K682-V793 PolarHBondContact O-N 3.27Å
683	I	94.2	Very high	92.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.4	178.1	-56.3	169.6	0	0	0	107.8	F673 A674 M685 I764 V806 A810 V813	F673-I683 CarbonylContact C-O 3.5Å; F673-I683 WeakPolarHBondContact CA-O 3.47Å; A674-I683 PolarHBondContact N-O 2.81Å; A674-I683 PolarHBondContact O-N 3.49Å; I683-M685 HydrophobicContact CG2-CE 3.94Å; I683-M685 HydrophobicContact CG2-CG 4.27Å; I683-I764 HydrophobicContact CD1-CD1 4.17Å; I683-I764 HydrophobicContact CD1-CG1 4.03Å; I683-V806 HydrophobicContact CD1-CG1 4.16Å; I683-A810 HydrophobicContact CD1-CB 4.38Å; I683-V813 HydrophobicContact CB-CG1 4.31Å; I683-V813 HydrophobicContact CG2-CG1 4.02Å
684	T	94.7	Very high	93	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.3	179.6	-51.3	0	0	0	0	110.3	K671 C672 F673 L790 D791	K671-T684 HydrophobicContact CB-CG2 3.97Å; C672-T684 CarbonylContact O-C 3.55Å; C672-T684 WeakPolarHBondContact O-CA 3.19Å; C672-T684 WeakPolarHBondContact O-CG2 3.32Å; F673-T684 HydrophobicContact CB-CG2 4.33Å; T684-L790 PolarHBondContact O-N 2.95Å; T684-D791 PolarHBondContact N-O 2.95Å
685	M	95.6	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.8	177.6	-59.5	-175.4	-178.2	0	0	112.7	C672 I683 L743 I764 K788 I789 V813 V814 A817	C672-M685 PolarHBondContact N-O 3.38Å; C672-M685 PolarHBondContact O-N 2.78Å; I683-M685 HydrophobicContact CG2-CE 3.94Å; I683-M685 HydrophobicContact CG2-CG 4.27Å; M685-L743 HydrophobicContact CE-CD1 4.19Å; M685-L743 HydrophobicContact SD-CD1 4.5Å; M685-I764 HydrophobicContact CE-CG2 3.91Å; M685-K788 CarbonylContact C-O 3.47Å; M685-K788 WeakPolarHBondContact CA-O 3.32Å; M685-I789 HydrophobicContact CE-CD1 4.25Å; M685-I789 HydrophobicContact CE-CG1 3.89Å; M685-I789 HydrophobicContact CG-CG1 4.19Å; M685-V813 HydrophobicContact CB-CG2 3.91Å; M685-V813 HydrophobicContact CE-CG1 3.83Å; M685-V813 HydrophobicContact CG-CG1 4.08Å; M685-V813 HydrophobicContact CG-CG2 3.94Å; M685-V813 HydrophobicContact SD-CG1 3.76Å; M685-V814 HydrophobicContact CE-CG2 4.4Å; M685-V814 HydrophobicContact SD-CG2 3.86Å; M685-A817 HydrophobicContact CB-CB 4.21Å
686	I	95.8	Very high	93	Very high	24 Å²	24	47.2 Å²	47.2	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.6	161.8	58.7	167.9	0	0	0	109.4	S668 K671 F787 K788 L790	S668-I686 WeakPolarHBondContact OG-CA 3.07Å; S668-I686 WeakPolarHBondContact OG-CB 3.42Å; S668-I686 WeakPolarHBondContact OG-CG2 3.41Å; K671-I686 HydrophobicContact CB-CG2 4.35Å; K671-I686 HydrophobicContact CG-CG2 4Å; I686-F787 WeakPolarHBondContact O-CA 3.35Å; I686-K788 HydrophobicContact CD1-CB 4.33Å; I686-K788 HydrophobicContact CD1-CD 4.03Å; I686-K788 HydrophobicContact CG1-CB 3.76Å; I686-K788 HydrophobicContact CG1-CD 4.31Å; I686-K788 PolarHBondContact N-O 3.38Å; I686-K788 PolarHBondContact O-N 3.12Å; I686-L790 HydrophobicContact CB-CD1 4.34Å; I686-L790 HydrophobicContact CD1-CD1 4.02Å; I686-L790 HydrophobicContact CD1-CD2 4.25Å; I686-L790 HydrophobicContact CD1-CG 4.41Å; I686-L790 HydrophobicContact CG1-CD1 3.94Å; I686-L790 HydrophobicContact CG1-CD2 4.33Å; I686-L790 HydrophobicContact CG1-CG 4.09Å; I686-L790 HydrophobicContact CG2-CD1 3.57Å; I686-L790 HydrophobicContact CG2-CG 4.44Å
687	A	96.4	Very high	93	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.3	172.7	0	0	0	0	0	109.7	T667 S668 V785 K786 F787 A817 A821	T667-A687 CarbonylContact C-O 3.59Å; T667-A687 WeakPolarHBondContact CA-O 3.46Å; S668-A687 PolarHBondContact N-O 2.73Å; S668-A687 PolarHBondContact OG-N 2.93Å; A687-V785 HydrophobicContact CB-CG1 3.99Å; A687-K786 CarbonylContact C-O 3.58Å; A687-K786 WeakPolarHBondContact CA-O 3.4Å; A687-F787 HydrophobicContact CB-CD1 4.1Å; A687-F787 HydrophobicContact CB-CE1 3.9Å; A687-A817 HydrophobicContact CB-CB 4.21Å; A687-A821 HydrophobicContact CB-CB 3.92Å
688	E	95.7	Very high	93.1	Very high	28 Å²	28	43.4 Å²	43.4	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.5	174	68.1	-173.7	-163.3	0	0	110.4	T667 K786 K788	T667-E688 HydrophobicContact CG2-CB 4.21Å; E688-K786 HydrophobicContact CG-CB 3.68Å; E688-K786 HydrophobicContact CG-CD 3.98Å; E688-K786 HydrophobicContact CG-CG 3.94Å; E688-K786 PolarHBondContact N-O 2.89Å; E688-K786 WeakPolarHBondContact O-CB 3.34Å; E688-K786 PolarHBondContact O-N 2.94Å; E688-K786 WeakPolarHBondContact OE1-CD 3.21Å; E688-K786 WeakPolarHBondContact OE1-CE 3.27Å; E688-K786 IonicContact OE1-NZ 3.09Å; E688-K786 PolarHBondContact OE1-NZ 3.17Å; E688-K788 VanDerWaalsContact CD-CE 3.44Å; E688-K788 WeakPolarHBondContact OE1-CE 3.44Å; E688-K788 IonicContact OE1-NZ 2.78Å; E688-K788 PolarHBondContact OE1-NZ 3.24Å; E688-K788 WeakPolarHBondContact OE2-CE 3.33Å; E688-K788 IonicContact OE2-NZ 2.67Å; E688-K788 PolarHBondContact OE2-NZ 3.42Å
689	P	96.7	Very high	93	Very high	45 Å²	45	44.5 Å²	44.5	29%	0.292	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.6	175.4	26.8	-35.2	0	0	0	110.6	V664	V664-P689 HydrophobicContact CG2-CB 4.18Å
690	L	94.7	Very high	92.8	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-71.9	153.2	169.9	-76.7	171.6	0	0	0	111.3	L694 W722 P740 I742 N784 K786	L690-L694 HydrophobicContact CD2-CD2 3.69Å; L690-L694 HydrophobicContact CD2-CG 4.43Å; L690-W722 HydrophobicContact CD2-CZ2 4.48Å; L690-P740 WeakPolarHBondContact CD1-O 3.38Å; L690-I742 HydrophobicContact CD1-CD1 4.44Å; L690-I742 HydrophobicContact CD1-CG1 4.07Å; L690-I742 HydrophobicContact CD2-CB 4.32Å; L690-I742 HydrophobicContact CD2-CD1 3.61Å; L690-I742 HydrophobicContact CD2-CG1 3.87Å; L690-N784 WeakPolarHBondContact CB-OD1 3.17Å; L690-N784 PolarHBondContact N-O 3.23Å; L690-N784 PolarHBondContact O-ND2 2.74Å; L690-K786 HydrophobicContact CD2-CB 3.65Å; L690-K786 HydrophobicContact CD2-CD 4.08Å; L690-K786 HydrophobicContact CD2-CG 4.31Å; L690-K786 HydrophobicContact CG-CB 4.04Å
691	E	93.1	Very high	92.6	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.318	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-62.8	146.2	174.7	-61.2	85.2	169	0	0	111.5	G693 L694 Y720 W722	E691-G693 PolarHBondContact O-N 3.49Å; E691-L694 WeakPolarHBondContact O-CB 3.27Å; E691-L694 PolarHBondContact O-N 3.44Å; E691-L694 VanDerWaalsContact O-N 3.12Å; E691-L694 WeakPolarHBondContact OE2-CD2 2.96Å; E691-Y720 HydrophobicContact CB-CD1 4.08Å; E691-W722 PolarHBondContact OE1-NE1 2.91Å; E691-W722 PolarHBondContact OE2-NE1 3.42Å
692	K	89.8	Confident	92.3	Very high	204 Å²	204	40.3 Å²	40.3	89%	0.887	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	128.7	-178.6	-172.6	177.5	-179.5	178.9	0	110.8	L694	K692-L694 VanDerWaalsContact C-N 3.34Å
693	G	90.3	Very high	92.1	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-16.9	-179.9	0	0	0	0	0	114.3	E691 E696 D697 Y720	E691-G693 PolarHBondContact O-N 3.49Å; G693-E696 PolarHBondContact O-N 2.82Å; G693-D697 PolarHBondContact O-N 2.7Å; G693-Y720 PolarHBondContact O-OH 3.19Å
694	L	93.4	Very high	91.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-41.9	-179	178.5	53.1	0	0	0	112.4	L690 E691 K692 E696 D697 I698 F715 F716 Y720 W722 I742	L690-L694 HydrophobicContact CD2-CD2 3.69Å; L690-L694 HydrophobicContact CD2-CG 4.43Å; E691-L694 WeakPolarHBondContact O-CB 3.27Å; E691-L694 PolarHBondContact O-N 3.44Å; E691-L694 VanDerWaalsContact O-N 3.12Å; E691-L694 WeakPolarHBondContact OE2-CD2 2.96Å; K692-L694 VanDerWaalsContact C-N 3.34Å; L694-E696 VanDerWaalsContact C-N 3.28Å; L694-E696 PolarHBondContact O-N 2.72Å; L694-D697 PolarHBondContact O-N 3.27Å; L694-I698 HydrophobicContact CD1-CD1 4.36Å; L694-I698 HydrophobicContact CD1-CG1 4.43Å; L694-I698 HydrophobicContact CG-CD1 4.36Å; L694-I698 WeakPolarHBondContact O-CG1 3.37Å; L694-I698 PolarHBondContact O-N 2.73Å; L694-I698 VanDerWaalsContact O-N 3.12Å; L694-F715 HydrophobicContact CD1-CE1 4.49Å; L694-F716 HydrophobicContact CD1-CD1 4.33Å; L694-F716 HydrophobicContact CD1-CE1 3.53Å; L694-F716 HydrophobicContact CD1-CZ 4.04Å; L694-F716 HydrophobicContact CD2-CD1 4.46Å; L694-F716 HydrophobicContact CD2-CE1 3.83Å; L694-F716 HydrophobicContact CG-CE1 4.26Å; L694-Y720 WeakPolarHBondContact CA-OH 3.45Å; L694-Y720 HydrophobicContact CB-CD1 4.34Å; L694-Y720 HydrophobicContact CB-CE1 3.82Å; L694-Y720 HydrophobicContact CB-CE2 4.34Å; L694-Y720 HydrophobicContact CD1-CD2 3.95Å; L694-Y720 HydrophobicContact CD1-CE2 3.6Å; L694-Y720 HydrophobicContact CG-CE2 4.47Å; L694-Y720 PolarHBondContact N-OH 3.47Å; L694-W722 HydrophobicContact CD2-CZ2 4.01Å; L694-I742 HydrophobicContact CD2-CD1 3.84Å; L694-I742 HydrophobicContact CG-CD1 4.22Å
695	A	92.5	Very high	91.4	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-40.6	173.3	0	0	0	0	0	112.2	I698 E699 P740 N784	A695-I698 PolarHBondContact O-N 2.66Å; A695-E699 WeakPolarHBondContact O-CG 3.25Å; A695-E699 PolarHBondContact O-N 2.77Å; A695-E699 VanDerWaalsContact O-N 3.16Å; A695-P740 HydrophobicContact CB-CB 3.85Å; A695-N784 HydrophobicContact CB-CB 4.34Å; A695-N784 WeakPolarHBondContact CB-OD1 3.44Å
696	E	91.1	Very high	90.9	Very high	99 Å²	99	47 Å²	47	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-68.2	-39.1	178.1	-63	175.7	-174.6	0	0	111.6	G693 L694 I698 E699 N700	G693-E696 PolarHBondContact O-N 2.82Å; L694-E696 VanDerWaalsContact C-N 3.28Å; L694-E696 PolarHBondContact O-N 2.72Å; E696-I698 VanDerWaalsContact C-N 3.29Å; E696-I698 PolarHBondContact O-N 3.31Å; E696-E699 PolarHBondContact O-N 3.17Å; E696-N700 VanDerWaalsContact O-CB 3.25Å; E696-N700 WeakPolarHBondContact O-CB 3.41Å; E696-N700 VanDerWaalsContact O-CG 3.3Å; E696-N700 PolarHBondContact O-N 3Å; E696-N700 PolarHBondContact O-ND2 2.97Å
697	D	91.6	Very high	90.4	Very high	24 Å²	24	49.1 Å²	49.1	13%	0.128	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-35.8	175.7	-91.3	-9.1	0	0	0	112.2	G693 L694 E701 V702 F715 K719 Y720	G693-D697 PolarHBondContact O-N 2.7Å; L694-D697 PolarHBondContact O-N 3.27Å; D697-E701 PolarHBondContact O-N 2.9Å; D697-V702 HydrophobicContact CB-CB 4.25Å; D697-V702 VanDerWaalsContact O-CB 3.32Å; D697-V702 WeakPolarHBondContact O-CB 3.35Å; D697-V702 PolarHBondContact O-N 3.41Å; D697-F715 HydrophobicContact CB-CZ 4.23Å; D697-F715 WeakPolarHBondContact OD2-CZ 3.37Å; D697-K719 IonicContact OD1-NZ 3.56Å; D697-K719 PolarHBondContact OD1-NZ 3.1Å; D697-K719 IonicContact OD2-NZ 2.7Å; D697-K719 PolarHBondContact OD2-NZ 2.89Å; D697-Y720 VanDerWaalsContact CG-OH 3.31Å; D697-Y720 PolarHBondContact OD2-OH 3Å
698	I	91.6	Very high	90	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-49.4	177.3	-61.8	162.3	0	0	0	110.6	L694 A695 E696 N700 E701 V703 F733 G739 I742	L694-I698 HydrophobicContact CD1-CD1 4.36Å; L694-I698 HydrophobicContact CD1-CG1 4.43Å; L694-I698 HydrophobicContact CG-CD1 4.36Å; L694-I698 WeakPolarHBondContact O-CG1 3.37Å; L694-I698 PolarHBondContact O-N 2.73Å; L694-I698 VanDerWaalsContact O-N 3.12Å; A695-I698 PolarHBondContact O-N 2.66Å; E696-I698 VanDerWaalsContact C-N 3.29Å; E696-I698 PolarHBondContact O-N 3.31Å; I698-N700 VanDerWaalsContact C-N 3.33Å; I698-N700 PolarHBondContact O-N 3.45Å; I698-E701 WeakPolarHBondContact O-CA 3.49Å; I698-E701 PolarHBondContact O-N 3.01Å; I698-V703 HydrophobicContact CB-CG1 4.21Å; I698-V703 HydrophobicContact CG1-CG1 3.55Å; I698-F733 HydrophobicContact CD1-CD1 4.2Å; I698-F733 HydrophobicContact CD1-CE1 4.03Å; I698-F733 HydrophobicContact CD1-CZ 4.33Å; I698-F733 HydrophobicContact CG1-CE1 4.35Å; I698-F733 HydrophobicContact CG1-CE2 4.31Å; I698-F733 HydrophobicContact CG1-CZ 4.15Å; I698-F733 HydrophobicContact CG2-CB 4.38Å; I698-F733 HydrophobicContact CG2-CD2 3.61Å; I698-F733 HydrophobicContact CG2-CE2 3.92Å; I698-F733 HydrophobicContact CG2-CG 3.94Å; I698-G739 VanDerWaalsContact CG2-O 3.28Å; I698-G739 WeakPolarHBondContact CG2-O 3.25Å; I698-I742 HydrophobicContact CD1-CD1 3.94Å; I698-I742 HydrophobicContact CD1-CG1 3.83Å
699	E	89.3	Confident	89.7	Confident	72 Å²	72	60.6 Å²	60.6	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-34.3	-180	-69.1	-178.5	142.2	0	0	112.9	A695 E696 E701 P740 R783	A695-E699 WeakPolarHBondContact O-CG 3.25Å; A695-E699 PolarHBondContact O-N 2.77Å; A695-E699 VanDerWaalsContact O-N 3.16Å; E696-E699 PolarHBondContact O-N 3.17Å; E699-E701 PolarHBondContact O-N 2.93Å; E699-P740 HydrophobicContact CG-CB 4.17Å; E699-R783 IonicContact OE1-CZ 3.83Å; E699-R783 IonicContact OE1-NH1 3.1Å; E699-R783 PolarHBondContact OE1-NH1 3.22Å; E699-R783 IonicContact OE1-NH2 3.47Å; E699-R783 IonicContact OE2-CZ 3.32Å; E699-R783 VanDerWaalsContact OE2-CZ 3.28Å; E699-R783 IonicContact OE2-NH1 2.77Å; E699-R783 PolarHBondContact OE2-NH1 2.89Å; E699-R783 IonicContact OE2-NH2 2.79Å; E699-R783 PolarHBondContact OE2-NH2 3.04Å
700	N	85.7	Confident	89.3	Confident	62 Å²	62	64.6 Å²	64.6	33%	0.332	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	0.1	172.7	-72.3	-60.6	0	0	0	112.7	K579 E696 I698 V702	K579-N700 PolarHBondContact NZ-O 3.21Å; E696-N700 VanDerWaalsContact O-CB 3.25Å; E696-N700 WeakPolarHBondContact O-CB 3.41Å; E696-N700 VanDerWaalsContact O-CG 3.3Å; E696-N700 PolarHBondContact O-N 3Å; E696-N700 PolarHBondContact O-ND2 2.97Å; I698-N700 VanDerWaalsContact C-N 3.33Å; I698-N700 PolarHBondContact O-N 3.45Å; N700-V702 HydrophobicContact CB-CG2 4.01Å; N700-V702 PolarHBondContact O-N 3.19Å
701	E	86.4	Confident	89.1	Confident	62 Å²	62	68.6 Å²	68.6	29%	0.29	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.7	-178.2	-62	171.6	161	0	0	113.7	K579 D697 I698 E699 V703 T738	K579-E701 VanDerWaalsContact NZ-CG 3.3Å; K579-E701 IonicContact NZ-OE1 3.63Å; K579-E701 IonicContact NZ-OE2 3.64Å; K579-E701 PolarHBondContact NZ-OE2 2.66Å; D697-E701 PolarHBondContact O-N 2.9Å; I698-E701 WeakPolarHBondContact O-CA 3.49Å; I698-E701 PolarHBondContact O-N 3.01Å; E699-E701 PolarHBondContact O-N 2.93Å; E701-V703 PolarHBondContact O-N 3.36Å; E701-T738 HydrophobicContact CG-CG2 3.86Å
702	V	86.4	Confident	89	Confident	57 Å²	57	65.5 Å²	65.5	35%	0.345	32%	0.315	S	S	.	.	S	Bend	trans	-66.8	-26.7	170.8	-173.7	0	0	0	0	110	D697 N700 W707 F715	D697-V702 HydrophobicContact CB-CB 4.25Å; D697-V702 VanDerWaalsContact O-CB 3.32Å; D697-V702 WeakPolarHBondContact O-CB 3.35Å; D697-V702 PolarHBondContact O-N 3.41Å; N700-V702 HydrophobicContact CB-CG2 4.01Å; N700-V702 PolarHBondContact O-N 3.19Å; V702-W707 WeakPolarHBondContact O-CH2 3.47Å; V702-F715 HydrophobicContact CG1-CE2 3.77Å; V702-F715 HydrophobicContact CG1-CZ 4.19Å
703	V	88.7	Confident	89	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-128.9	140.1	174.2	62.9	0	0	0	0	110.2	I698 E701 L712 F715 F716 F733	I698-V703 HydrophobicContact CB-CG1 4.21Å; I698-V703 HydrophobicContact CG1-CG1 3.55Å; E701-V703 PolarHBondContact O-N 3.36Å; V703-L712 HydrophobicContact CG2-CD1 3.28Å; V703-F715 HydrophobicContact CB-CD1 4.05Å; V703-F715 HydrophobicContact CB-CE1 3.8Å; V703-F715 HydrophobicContact CB-CZ 4.08Å; V703-F715 HydrophobicContact CG1-CE1 4.06Å; V703-F715 HydrophobicContact CG1-CZ 4.42Å; V703-F715 HydrophobicContact CG2-CD1 3.96Å; V703-F715 HydrophobicContact CG2-CE1 4.17Å; V703-F715 HydrophobicContact CG2-CG 4.49Å; V703-F716 HydrophobicContact CG2-CE2 3.95Å; V703-F733 HydrophobicContact CG1-CE2 4.14Å; V703-F733 HydrophobicContact CG1-CZ 4.1Å; V703-F733 HydrophobicContact CG2-CE2 4.38Å; V703-F733 HydrophobicContact CG2-CZ 4.16Å
704	Q	87.4	Confident	89.1	Confident	41 Å²	41	59 Å²	59	19%	0.192	28%	0.282	C	S	.	.			trans	-134.8	142	179.4	-64.2	175.2	-14.2	0	0	110.2	T706 W707	Q704-T706 PolarHBondContact O-N 3.22Å; Q704-W707 HydrophobicContact CB-CG 4.3Å; Q704-W707 WeakPolarHBondContact O-CB 3.28Å; Q704-W707 PolarHBondContact O-N 3.24Å; Q704-W707 VanDerWaalsContact OE1-NE1 3.09Å
705	I	86.8	Confident	89.1	Confident	51 Å²	51	60.4 Å²	60.4	26%	0.262	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.1	177.9	-162.4	64.5	0	0	0	112.7	W707 L712 I730 F733	I705-W707 PolarHBondContact O-N 2.74Å; I705-L712 HydrophobicContact CD1-CD2 4.19Å; I705-I730 HydrophobicContact CD1-CG2 3.88Å; I705-F733 HydrophobicContact CB-CD2 4.4Å
706	T	84.9	Confident	89.1	Confident	115 Å²	115	60.2 Å²	60.2	71%	0.706	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.5	176.7	57	0	0	0	0	112.8	Q704	Q704-T706 PolarHBondContact O-N 3.22Å
707	W	86.1	Confident	89.1	Confident	68 Å²	68	59.7 Å²	59.7	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	-67.7	158.7	176.9	-69.9	7.3	0	0	0	111.5	V702 Q704 I705 K711	V702-W707 WeakPolarHBondContact O-CH2 3.47Å; Q704-W707 HydrophobicContact CB-CG 4.3Å; Q704-W707 WeakPolarHBondContact O-CB 3.28Å; Q704-W707 PolarHBondContact O-N 3.24Å; Q704-W707 VanDerWaalsContact OE1-NE1 3.09Å; I705-W707 PolarHBondContact O-N 2.74Å; W707-K711 HydrophobicContact CD2-CD 3.86Å; W707-K711 HydrophobicContact CE3-CD 3.46Å; W707-K711 VanDerWaalsContact CE3-CD 3.46Å; W707-K711 VanDerWaalsContact CE3-CE 3.48Å; W707-K711 HydrophobicContact CE3-CG 3.75Å; W707-K711 HydrophobicContact CG-CD 4.37Å; W707-K711 HydrophobicContact CZ3-CD 3.9Å; W707-K711 HydrophobicContact CZ3-CG 4.13Å
708	N	88.7	Confident	89.2	Confident	104 Å²	104	64 Å²	64	56%	0.556	31%	0.311	S	S	*	.			trans	-60.6	145.5	172.2	70.8	32.1	0	0	0	110.7	K710 K711 L712	N708-K710 PolarHBondContact O-N 3.03Å; N708-K710 PolarHBondContact OD1-N 3.03Å; N708-K711 PolarHBondContact O-N 3.06Å; N708-K711 WeakPolarHBondContact OD1-CA 3.34Å; N708-K711 WeakPolarHBondContact OD1-CB 3.24Å; N708-K711 PolarHBondContact OD1-N 2.9Å; N708-L712 PolarHBondContact O-N 3.17Å
709	R	88.3	Confident	89.3	Confident	166 Å²	166	69 Å²	69	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-20.9	-177.7	-61.8	-171.1	-172.4	-178.5	4.7	113.6	G713	R709-G713 PolarHBondContact O-N 2.87Å
710	K	89	Confident	89.4	Confident	129 Å²	129	67.6 Å²	67.6	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-72.4	-52	178.7	-172.1	-174.3	177.3	-161.7	0	111.1	N708 L712 G713 E714	N708-K710 PolarHBondContact O-N 3.03Å; N708-K710 PolarHBondContact OD1-N 3.03Å; K710-L712 VanDerWaalsContact C-N 3.31Å; K710-G713 PolarHBondContact O-N 3.47Å; K710-E714 WeakPolarHBondContact CE-OE1 3.4Å; K710-E714 IonicContact NZ-OE1 2.7Å; K710-E714 WeakPolarHBondContact O-CG 3.5Å; K710-E714 PolarHBondContact O-N 3.25Å
711	K	90.7	Very high	89.7	Confident	93 Å²	93	71.7 Å²	71.7	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177	-172.9	-176.1	-179.1	-161.2	0	110.6	W707 N708 E714 F715	W707-K711 HydrophobicContact CD2-CD 3.86Å; W707-K711 HydrophobicContact CE3-CD 3.46Å; W707-K711 VanDerWaalsContact CE3-CD 3.46Å; W707-K711 VanDerWaalsContact CE3-CE 3.48Å; W707-K711 HydrophobicContact CE3-CG 3.75Å; W707-K711 HydrophobicContact CG-CD 4.37Å; W707-K711 HydrophobicContact CZ3-CD 3.9Å; W707-K711 HydrophobicContact CZ3-CG 4.13Å; N708-K711 PolarHBondContact O-N 3.06Å; N708-K711 WeakPolarHBondContact OD1-CA 3.34Å; N708-K711 WeakPolarHBondContact OD1-CB 3.24Å; N708-K711 PolarHBondContact OD1-N 2.9Å; K711-E714 PolarHBondContact O-N 3.37Å; K711-F715 PolarHBondContact O-N 3.17Å
712	L	90.3	Very high	90	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-51.3	171.8	-168.6	67.3	0	0	0	110.6	V703 I705 N708 K710 E714 F715 F716 I730	V703-L712 HydrophobicContact CG2-CD1 3.28Å; I705-L712 HydrophobicContact CD1-CD2 4.19Å; N708-L712 PolarHBondContact O-N 3.17Å; K710-L712 VanDerWaalsContact C-N 3.31Å; L712-E714 PolarHBondContact O-N 3.13Å; L712-F715 WeakPolarHBondContact O-CB 3.23Å; L712-F715 PolarHBondContact O-N 2.99Å; L712-F716 HydrophobicContact CD1-CD2 4.14Å; L712-F716 HydrophobicContact CD1-CE2 3.69Å; L712-F716 HydrophobicContact CG-CD2 4.18Å; L712-F716 HydrophobicContact CG-CE2 4.1Å; L712-F716 WeakPolarHBondContact O-CD2 3.46Å; L712-F716 PolarHBondContact O-N 3.22Å; L712-I730 HydrophobicContact CD2-CB 4.15Å; L712-I730 HydrophobicContact CD2-CD1 4.29Å; L712-I730 HydrophobicContact CD2-CG2 4.44Å; L712-I730 HydrophobicContact CG-CD1 4.41Å
713	G	90	Very high	90.1	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58	-44.1	177	0	0	0	0	0	113.9	R709 K710 F715 F716 Q717	R709-G713 PolarHBondContact O-N 2.87Å; K710-G713 PolarHBondContact O-N 3.47Å; G713-F715 VanDerWaalsContact C-N 3.34Å; G713-F715 PolarHBondContact O-N 3.12Å; G713-F716 PolarHBondContact O-N 2.76Å; G713-Q717 VanDerWaalsContact O-CB 3.23Å; G713-Q717 WeakPolarHBondContact O-CB 3.3Å; G713-Q717 PolarHBondContact O-N 3.41Å
714	E	91.9	Very high	90	Very high	89 Å²	89	74.4 Å²	74.4	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-39.4	177.5	-74.7	169.5	-172.3	0	0	112.1	K710 K711 L712 T718	K710-E714 WeakPolarHBondContact CE-OE1 3.4Å; K710-E714 IonicContact NZ-OE1 2.7Å; K710-E714 WeakPolarHBondContact O-CG 3.5Å; K710-E714 PolarHBondContact O-N 3.25Å; K711-E714 PolarHBondContact O-N 3.37Å; L712-E714 PolarHBondContact O-N 3.13Å; E714-T718 VanDerWaalsContact O-CB 3.25Å; E714-T718 WeakPolarHBondContact O-CB 3.4Å; E714-T718 PolarHBondContact O-N 3.46Å; E714-T718 PolarHBondContact O-OG1 3.38Å
715	F	93.1	Very high	89.9	Confident	28 Å²	28	77.4 Å²	77.4	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-54	177	175.2	-93.7	0	0	0	111.8	L694 D697 V702 V703 K711 L712 G713 Q717 T718 K719 Y720	L694-F715 HydrophobicContact CD1-CE1 4.49Å; D697-F715 HydrophobicContact CB-CZ 4.23Å; D697-F715 WeakPolarHBondContact OD2-CZ 3.37Å; V702-F715 HydrophobicContact CG1-CE2 3.77Å; V702-F715 HydrophobicContact CG1-CZ 4.19Å; V703-F715 HydrophobicContact CB-CD1 4.05Å; V703-F715 HydrophobicContact CB-CE1 3.8Å; V703-F715 HydrophobicContact CB-CZ 4.08Å; V703-F715 HydrophobicContact CG1-CE1 4.06Å; V703-F715 HydrophobicContact CG1-CZ 4.42Å; V703-F715 HydrophobicContact CG2-CD1 3.96Å; V703-F715 HydrophobicContact CG2-CE1 4.17Å; V703-F715 HydrophobicContact CG2-CG 4.49Å; K711-F715 PolarHBondContact O-N 3.17Å; L712-F715 WeakPolarHBondContact O-CB 3.23Å; L712-F715 PolarHBondContact O-N 2.99Å; G713-F715 VanDerWaalsContact C-N 3.34Å; G713-F715 PolarHBondContact O-N 3.12Å; F715-Q717 VanDerWaalsContact C-N 3.33Å; F715-Q717 PolarHBondContact O-N 3.07Å; F715-T718 PolarHBondContact O-N 2.9Å; F715-K719 HydrophobicContact CD2-CD 4.32Å; F715-K719 HydrophobicContact CE2-CD 3.58Å; F715-K719 HydrophobicContact CE2-CG 4.26Å; F715-K719 HydrophobicContact CZ-CD 3.73Å; F715-K719 WeakPolarHBondContact O-CB 3.34Å; F715-K719 PolarHBondContact O-N 3.48Å; F715-Y720 HydrophobicContact CE1-CD2 4.3Å; F715-Y720 AromaticContact CE1-CE2 3.89Å; F715-Y720 HydrophobicContact CE1-CE2 3.89Å; F715-Y720 HydrophobicContact CZ-CE2 4.09Å
716	F	92.9	Very high	89.8	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-36.8	-179	-81.5	-83.5	0	0	0	112.3	L694 V703 L712 G713 Y720 D721 W722 A727 I730 F733 I742	L694-F716 HydrophobicContact CD1-CD1 4.33Å; L694-F716 HydrophobicContact CD1-CE1 3.53Å; L694-F716 HydrophobicContact CD1-CZ 4.04Å; L694-F716 HydrophobicContact CD2-CD1 4.46Å; L694-F716 HydrophobicContact CD2-CE1 3.83Å; L694-F716 HydrophobicContact CG-CE1 4.26Å; V703-F716 HydrophobicContact CG2-CE2 3.95Å; L712-F716 HydrophobicContact CD1-CD2 4.14Å; L712-F716 HydrophobicContact CD1-CE2 3.69Å; L712-F716 HydrophobicContact CG-CD2 4.18Å; L712-F716 HydrophobicContact CG-CE2 4.1Å; L712-F716 WeakPolarHBondContact O-CD2 3.46Å; L712-F716 PolarHBondContact O-N 3.22Å; G713-F716 PolarHBondContact O-N 2.76Å; F716-Y720 CarbonylContact O-C 3.3Å; F716-Y720 PolarHBondContact O-N 3.03Å; F716-D721 PolarHBondContact O-N 2.97Å; F716-W722 HydrophobicContact CB-CB 3.97Å; F716-W722 HydrophobicContact CB-CD2 4.28Å; F716-W722 HydrophobicContact CB-CE3 4.37Å; F716-W722 HydrophobicContact CB-CG 4.13Å; F716-W722 AromaticContact CD1-CD2 3.74Å; F716-W722 HydrophobicContact CD1-CD2 3.74Å; F716-W722 AromaticContact CD1-CE2 3.93Å; F716-W722 AromaticContact CD1-CE3 3.87Å; F716-W722 HydrophobicContact CD1-CE3 3.87Å; F716-W722 HydrophobicContact CD1-CG 4.22Å; F716-W722 HydrophobicContact CD1-CH2 4.29Å; F716-W722 HydrophobicContact CD1-CZ2 4.21Å; F716-W722 HydrophobicContact CD1-CZ3 4.15Å; F716-W722 HydrophobicContact CE1-CE3 4.5Å; F716-W722 HydrophobicContact CE1-CH2 4.17Å; F716-W722 HydrophobicContact CE1-CZ2 4.24Å; F716-W722 HydrophobicContact CE1-CZ3 4.33Å; F716-W722 HydrophobicContact CG-CD2 4.35Å; F716-W722 HydrophobicContact CG-CE3 4.28Å; F716-W722 PolarHBondContact O-N 3.01Å; F716-W722 VanDerWaalsContact O-N 3.16Å; F716-A727 HydrophobicContact CB-CB 3.82Å; F716-I730 HydrophobicContact CD1-CD1 4.35Å; F716-I730 HydrophobicContact CD2-CD1 3.55Å; F716-I730 HydrophobicContact CE1-CD1 4.12Å; F716-I730 HydrophobicContact CE2-CD1 3.32Å; F716-I730 HydrophobicContact CG-CD1 4.09Å; F716-I730 HydrophobicContact CZ-CD1 3.64Å; F716-F733 HydrophobicContact CE2-CZ 4.44Å; F716-F733 HydrophobicContact CZ-CE1 4.32Å; F716-F733 HydrophobicContact CZ-CZ 4.23Å; F716-I742 HydrophobicContact CE1-CD1 3.69Å; F716-I742 HydrophobicContact CZ-CD1 3.81Å
717	Q	92.3	Very high	90	Very high	89 Å²	89	70.2 Å²	70.2	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-66.6	-42.5	175.7	-175.8	176.6	30.9	0	0	112.2	G713 F715 D721	G713-Q717 VanDerWaalsContact O-CB 3.23Å; G713-Q717 WeakPolarHBondContact O-CB 3.3Å; G713-Q717 PolarHBondContact O-N 3.41Å; F715-Q717 VanDerWaalsContact C-N 3.33Å; F715-Q717 PolarHBondContact O-N 3.07Å; Q717-D721 WeakPolarHBondContact O-CA 3.38Å; Q717-D721 PolarHBondContact O-N 2.81Å
718	T	92.8	Very high	90.1	Very high	113 Å²	113	72.5 Å²	72.5	69%	0.693	35%	0.346	S	S	*	.	H	α-helix	trans	-81.6	-39.6	-172.6	-50.2	0	0	0	0	112.3	E714 F715	E714-T718 VanDerWaalsContact O-CB 3.25Å; E714-T718 WeakPolarHBondContact O-CB 3.4Å; E714-T718 PolarHBondContact O-N 3.46Å; E714-T718 PolarHBondContact O-OG1 3.38Å; F715-T718 PolarHBondContact O-N 2.9Å
719	K	92.9	Very high	90.2	Very high	106 Å²	106	68.8 Å²	68.8	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-86.8	-36.6	-177	-83.3	-155.7	-177.9	-173.2	0	113.8	D697 F715	D697-K719 IonicContact OD1-NZ 3.56Å; D697-K719 PolarHBondContact OD1-NZ 3.1Å; D697-K719 IonicContact OD2-NZ 2.7Å; D697-K719 PolarHBondContact OD2-NZ 2.89Å; F715-K719 HydrophobicContact CD2-CD 4.32Å; F715-K719 HydrophobicContact CE2-CD 3.58Å; F715-K719 HydrophobicContact CE2-CG 4.26Å; F715-K719 HydrophobicContact CZ-CD 3.73Å; F715-K719 WeakPolarHBondContact O-CB 3.34Å; F715-K719 PolarHBondContact O-N 3.48Å
720	Y	92.9	Very high	90.5	Very high	42 Å²	42	61.3 Å²	61.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-123.2	8.5	-167.9	-62.3	-77.5	0	0	0	112.9	E691 G693 L694 D697 F715 F716 W722	E691-Y720 HydrophobicContact CB-CD1 4.08Å; G693-Y720 PolarHBondContact O-OH 3.19Å; L694-Y720 WeakPolarHBondContact CA-OH 3.45Å; L694-Y720 HydrophobicContact CB-CD1 4.34Å; L694-Y720 HydrophobicContact CB-CE1 3.82Å; L694-Y720 HydrophobicContact CB-CE2 4.34Å; L694-Y720 HydrophobicContact CD1-CD2 3.95Å; L694-Y720 HydrophobicContact CD1-CE2 3.6Å; L694-Y720 HydrophobicContact CG-CE2 4.47Å; L694-Y720 PolarHBondContact N-OH 3.47Å; D697-Y720 VanDerWaalsContact CG-OH 3.31Å; D697-Y720 PolarHBondContact OD2-OH 3Å; F715-Y720 HydrophobicContact CE1-CD2 4.3Å; F715-Y720 AromaticContact CE1-CE2 3.89Å; F715-Y720 HydrophobicContact CE1-CE2 3.89Å; F715-Y720 HydrophobicContact CZ-CE2 4.09Å; F716-Y720 CarbonylContact O-C 3.3Å; F716-Y720 PolarHBondContact O-N 3.03Å; Y720-W722 PolarHBondContact O-N 2.89Å
721	D	92.1	Very high	90.7	Very high	148 Å²	148	56.5 Å²	56.5	79%	0.791	28%	0.278	S	S	*	.			trans	54.8	31.5	179.2	-63.2	-40.4	0	0	0	114.1	F716 Q717	F716-D721 PolarHBondContact O-N 2.97Å; Q717-D721 WeakPolarHBondContact O-CA 3.38Å; Q717-D721 PolarHBondContact O-N 2.81Å
722	W	92.2	Very high	90.9	Very high	14 Å²	14	52.4 Å²	52.4	5%	0.053	26%	0.261	C	S	.	.			trans	-70.2	146.8	177	-80.7	31.3	0	0	0	112	L690 E691 L694 F716 Y720 A727 I730 I742 V744 K786	L690-W722 HydrophobicContact CD2-CZ2 4.48Å; E691-W722 PolarHBondContact OE1-NE1 2.91Å; E691-W722 PolarHBondContact OE2-NE1 3.42Å; L694-W722 HydrophobicContact CD2-CZ2 4.01Å; F716-W722 HydrophobicContact CB-CB 3.97Å; F716-W722 HydrophobicContact CB-CD2 4.28Å; F716-W722 HydrophobicContact CB-CE3 4.37Å; F716-W722 HydrophobicContact CB-CG 4.13Å; F716-W722 AromaticContact CD1-CD2 3.74Å; F716-W722 HydrophobicContact CD1-CD2 3.74Å; F716-W722 AromaticContact CD1-CE2 3.93Å; F716-W722 AromaticContact CD1-CE3 3.87Å; F716-W722 HydrophobicContact CD1-CE3 3.87Å; F716-W722 HydrophobicContact CD1-CG 4.22Å; F716-W722 HydrophobicContact CD1-CH2 4.29Å; F716-W722 HydrophobicContact CD1-CZ2 4.21Å; F716-W722 HydrophobicContact CD1-CZ3 4.15Å; F716-W722 HydrophobicContact CE1-CE3 4.5Å; F716-W722 HydrophobicContact CE1-CH2 4.17Å; F716-W722 HydrophobicContact CE1-CZ2 4.24Å; F716-W722 HydrophobicContact CE1-CZ3 4.33Å; F716-W722 HydrophobicContact CG-CD2 4.35Å; F716-W722 HydrophobicContact CG-CE3 4.28Å; F716-W722 PolarHBondContact O-N 3.01Å; F716-W722 VanDerWaalsContact O-N 3.16Å; Y720-W722 PolarHBondContact O-N 2.89Å; W722-A727 HydrophobicContact CB-CB 4.36Å; W722-A727 HydrophobicContact CE3-CB 4.39Å; W722-I730 HydrophobicContact CZ3-CD1 3.99Å; W722-I730 HydrophobicContact CZ3-CG1 4.17Å; W722-I742 HydrophobicContact CH2-CD1 3.95Å; W722-I742 HydrophobicContact CH2-CG2 4.41Å; W722-I742 HydrophobicContact CZ2-CD1 4.38Å; W722-V744 HydrophobicContact CH2-CG2 4.18Å; W722-V744 HydrophobicContact CZ3-CG2 4.03Å; W722-K786 HydrophobicContact CH2-CD 3.56Å; W722-K786 HydrophobicContact CZ2-CD 3.67Å; W722-K786 VanDerWaalsContact CZ2-NZ 3.34Å
723	D	88.9	Confident	91.2	Very high	110 Å²	110	52.2 Å²	52.2	59%	0.588	26%	0.261	S	S	*	.			trans	-63.8	138.8	168.3	-176.1	23	0	0	0	110.5	L725 A726 A727	D723-L725 PolarHBondContact O-N 2.96Å; D723-A726 PolarHBondContact O-N 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.5Å; D723-A727 PolarHBondContact O-N 3.01Å
724	L	85.3	Confident	91.2	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-30.9	-177.5	-173	67.5	0	0	0	111.7	R728	L724-R728 WeakPolarHBondContact O-CB 3.45Å; L724-R728 VanDerWaalsContact O-CG 3.26Å; L724-R728 WeakPolarHBondContact O-CG 3.48Å; L724-R728 PolarHBondContact O-N 3.08Å
725	L	85.5	Confident	91.1	Very high	103 Å²	103	48.6 Å²	48.6	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-66.9	-51.2	176.9	-168.2	148.2	0	0	0	110.6	D723 A727 R728 S729	D723-L725 PolarHBondContact O-N 2.96Å; L725-A727 PolarHBondContact O-N 2.77Å; L725-R728 PolarHBondContact O-N 3.43Å; L725-S729 PolarHBondContact O-N 3.27Å; L725-S729 PolarHBondContact O-OG 3.14Å
726	A	86	Confident	90.8	Very high	15 Å²	15	51 Å²	51	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-43.1	177.3	0	0	0	0	0	112.1	D723 R728 S729	D723-A726 PolarHBondContact O-N 3.31Å; A726-R728 VanDerWaalsContact C-N 3.29Å; A726-R728 PolarHBondContact O-N 3.34Å; A726-S729 PolarHBondContact O-N 2.75Å
727	A	88.6	Confident	90.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-29.6	-178.3	0	0	0	0	0	113.4	F716 W722 D723 L725 S729 I730	F716-A727 HydrophobicContact CB-CB 3.82Å; W722-A727 HydrophobicContact CB-CB 4.36Å; W722-A727 HydrophobicContact CE3-CB 4.39Å; D723-A727 WeakPolarHBondContact O-CB 3.5Å; D723-A727 PolarHBondContact O-N 3.01Å; L725-A727 PolarHBondContact O-N 2.77Å; A727-S729 VanDerWaalsContact C-N 3.32Å; A727-I730 WeakPolarHBondContact O-CD1 3.11Å
728	R	87.4	Confident	90.1	Very high	117 Å²	117	53.4 Å²	53.4	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-81.3	-13.6	174.9	-73.8	177.2	177.4	-172.5	2.2	113.8	L724 L725 A726	L724-R728 WeakPolarHBondContact O-CB 3.45Å; L724-R728 VanDerWaalsContact O-CG 3.26Å; L724-R728 WeakPolarHBondContact O-CG 3.48Å; L724-R728 PolarHBondContact O-N 3.08Å; L725-R728 PolarHBondContact O-N 3.43Å; A726-R728 VanDerWaalsContact C-N 3.29Å; A726-R728 PolarHBondContact O-N 3.34Å
729	S	91.4	Very high	90	Very high	25 Å²	25	48.2 Å²	48.2	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	13.6	-179.1	-60	0	0	0	0	113.2	L725 A726 A727 W731 D745	L725-S729 PolarHBondContact O-N 3.27Å; L725-S729 PolarHBondContact O-OG 3.14Å; A726-S729 PolarHBondContact O-N 2.75Å; A727-S729 VanDerWaalsContact C-N 3.32Å; S729-W731 PolarHBondContact O-N 3.24Å; S729-D745 WeakPolarHBondContact CB-O 3.46Å; S729-D745 PolarHBondContact O-N 2.94Å; S729-D745 PolarHBondContact OG-O 2.83Å
730	I	94.2	Very high	90.1	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.046	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127	170.1	-60.7	170.6	0	0	0	108.8	I705 L712 F716 W722 A727 F733 I742 V744	I705-I730 HydrophobicContact CD1-CG2 3.88Å; L712-I730 HydrophobicContact CD2-CB 4.15Å; L712-I730 HydrophobicContact CD2-CD1 4.29Å; L712-I730 HydrophobicContact CD2-CG2 4.44Å; L712-I730 HydrophobicContact CG-CD1 4.41Å; F716-I730 HydrophobicContact CD1-CD1 4.35Å; F716-I730 HydrophobicContact CD2-CD1 3.55Å; F716-I730 HydrophobicContact CE1-CD1 4.12Å; F716-I730 HydrophobicContact CE2-CD1 3.32Å; F716-I730 HydrophobicContact CG-CD1 4.09Å; F716-I730 HydrophobicContact CZ-CD1 3.64Å; W722-I730 HydrophobicContact CZ3-CD1 3.99Å; W722-I730 HydrophobicContact CZ3-CG1 4.17Å; A727-I730 WeakPolarHBondContact O-CD1 3.11Å; I730-F733 HydrophobicContact CG2-CE1 4.1Å; I730-I742 HydrophobicContact CG1-CG2 4.19Å; I730-I742 HydrophobicContact CG2-CG2 3.81Å; I730-V744 HydrophobicContact CG1-CG2 4.28Å
731	W	93.8	Very high	90.3	Very high	29 Å²	29	41.7 Å²	41.7	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-44.6	-177.3	-78.1	15.2	0	0	0	113.1	S729 L743 D745 L757 K761 I764 V765 I789	S729-W731 PolarHBondContact O-N 3.24Å; W731-L743 HydrophobicContact CB-CD2 4.2Å; W731-L743 HydrophobicContact CB-CG 4.35Å; W731-L743 HydrophobicContact CE3-CD2 3.97Å; W731-L743 PolarHBondContact N-O 2.96Å; W731-D745 HydrophobicContact CD2-CB 4.32Å; W731-D745 VanDerWaalsContact CE2-CB 3.47Å; W731-D745 HydrophobicContact CZ2-CB 3.64Å; W731-L757 HydrophobicContact CH2-CD1 3.76Å; W731-L757 HydrophobicContact CH2-CD2 3.85Å; W731-L757 HydrophobicContact CH2-CG 3.59Å; W731-L757 HydrophobicContact CZ2-CD2 3.83Å; W731-L757 HydrophobicContact CZ2-CG 3.92Å; W731-K761 HydrophobicContact CD2-CD 4.34Å; W731-K761 HydrophobicContact CD2-CG 3.83Å; W731-K761 HydrophobicContact CE3-CG 3.65Å; W731-K761 HydrophobicContact CG-CG 4.41Å; W731-K761 HydrophobicContact CH2-CG 4.38Å; W731-K761 HydrophobicContact CZ3-CB 4.37Å; W731-K761 HydrophobicContact CZ3-CG 3.94Å; W731-I764 HydrophobicContact CH2-CD1 4.43Å; W731-I764 HydrophobicContact CZ3-CB 4.25Å; W731-I764 HydrophobicContact CZ3-CD1 4.01Å; W731-I764 HydrophobicContact CZ3-CG2 4.14Å; W731-V765 HydrophobicContact CB-CG2 4.37Å; W731-V765 HydrophobicContact CE3-CG2 4.48Å; W731-I789 HydrophobicContact CE3-CD1 3.88Å; W731-I789 HydrophobicContact CH2-CD1 3.74Å; W731-I789 HydrophobicContact CZ2-CD1 4.45Å; W731-I789 HydrophobicContact CZ3-CD1 3.42Å; W731-I789 VanDerWaalsContact CZ3-CD1 3.42Å
732	A	94.8	Very high	90.5	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.4	-174.9	0	0	0	0	0	111.4	L743 V765	A732-L743 PolarHBondContact O-N 3.18Å; A732-V765 HydrophobicContact CB-CB 4.34Å; A732-V765 HydrophobicContact CB-CG1 3.56Å; A732-V765 HydrophobicContact CB-CG2 3.87Å
733	F	95.5	Very high	90.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155.8	159.5	-59.7	-36.5	0	0	0	109.7	I698 V703 I705 F716 I730 D736 N741 I742 Q769	I698-F733 HydrophobicContact CD1-CD1 4.2Å; I698-F733 HydrophobicContact CD1-CE1 4.03Å; I698-F733 HydrophobicContact CD1-CZ 4.33Å; I698-F733 HydrophobicContact CG1-CE1 4.35Å; I698-F733 HydrophobicContact CG1-CE2 4.31Å; I698-F733 HydrophobicContact CG1-CZ 4.15Å; I698-F733 HydrophobicContact CG2-CB 4.38Å; I698-F733 HydrophobicContact CG2-CD2 3.61Å; I698-F733 HydrophobicContact CG2-CE2 3.92Å; I698-F733 HydrophobicContact CG2-CG 3.94Å; V703-F733 HydrophobicContact CG1-CE2 4.14Å; V703-F733 HydrophobicContact CG1-CZ 4.1Å; V703-F733 HydrophobicContact CG2-CE2 4.38Å; V703-F733 HydrophobicContact CG2-CZ 4.16Å; I705-F733 HydrophobicContact CB-CD2 4.4Å; F716-F733 HydrophobicContact CE2-CZ 4.44Å; F716-F733 HydrophobicContact CZ-CE1 4.32Å; F716-F733 HydrophobicContact CZ-CZ 4.23Å; I730-F733 HydrophobicContact CG2-CE1 4.1Å; F733-D736 CarbonylContact C-O 3.5Å; F733-D736 VanDerWaalsContact O-O 3.13Å; F733-N741 WeakPolarHBondContact CA-O 3.38Å; F733-I742 HydrophobicContact CD1-CB 4.42Å; F733-I742 HydrophobicContact CD1-CG1 3.9Å; F733-I742 HydrophobicContact CD1-CG2 4.4Å; F733-I742 HydrophobicContact CE1-CD1 4.09Å; F733-I742 HydrophobicContact CE1-CG1 3.81Å; F733-I742 HydrophobicContact CE1-CG2 4.22Å; F733-Q769 PolarHBondContact O-NE2 3.4Å
734	G	90.1	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.3	-179	0	0	0	0	0	111.9	G739 N741	G734-G739 CarbonylContact O-C 3.56Å; G734-G739 VanDerWaalsContact O-CA 3.22Å; G734-G739 WeakPolarHBondContact O-CA 3.45Å; G734-N741 PolarHBondContact N-O 3.35Å; G734-N741 WeakPolarHBondContact O-CB 3.25Å; G734-N741 PolarHBondContact O-N 3.18Å; G734-N741 VanDerWaalsContact O-N 3.11Å; G734-N741 PolarHBondContact O-ND2 3.3Å
735	P	89.6	Confident	91.5	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.084	14%	0.144	C	C	.	.	S	Bend	cis	-78.1	-26.6	10.4	29.9	-33.9	0	0	0	115.4	Q769 T772 R773	P735-Q769 VanDerWaalsContact O-CB 3.29Å; P735-Q769 WeakPolarHBondContact O-CB 3.45Å; P735-Q769 WeakPolarHBondContact O-CG 3.35Å; P735-T772 VanDerWaalsContact CA-OG1 3.26Å; P735-T772 WeakPolarHBondContact CA-OG1 3.35Å; P735-R773 HydrophobicContact CB-CB 3.68Å; P735-R773 HydrophobicContact CB-CG 4.27Å
736	D	87.4	Confident	91.8	Very high	78 Å²	78	24.8 Å²	24.8	42%	0.417	13%	0.134	S	C	.	.	S	Bend	trans	-109	-177.3	176.6	-51.5	-47.1	0	0	0	110.3	F733 T738 G739 R773	F733-D736 CarbonylContact C-O 3.5Å; F733-D736 VanDerWaalsContact O-O 3.13Å; D736-T738 PolarHBondContact O-N 3.17Å; D736-G739 PolarHBondContact O-N 3.12Å; D736-R773 IonicContact OD1-CZ 3.92Å; D736-R773 IonicContact OD1-NE 3.21Å; D736-R773 IonicContact OD1-NH2 3.7Å; D736-R773 PolarHBondContact OD1-NH2 3.15Å
737	T	84.5	Confident	92	Very high	97 Å²	97	24.4 Å²	24.4	60%	0.595	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.4	-177.6	51.6	0	0	0	0	114.1
738	T	87.2	Confident	92	Very high	42 Å²	42	28.6 Å²	28.6	26%	0.258	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	25	178.4	53.6	0	0	0	0	112.1	E701 D736	E701-T738 HydrophobicContact CG-CG2 3.86Å; D736-T738 PolarHBondContact O-N 3.17Å
739	G	90.3	Very high	91.7	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	16%	0.162	C	C	.	.			trans	-74	155.7	-178.8	0	0	0	0	0	114.3	I698 G734 D736 N741	I698-G739 VanDerWaalsContact CG2-O 3.28Å; I698-G739 WeakPolarHBondContact CG2-O 3.25Å; G734-G739 CarbonylContact O-C 3.56Å; G734-G739 VanDerWaalsContact O-CA 3.22Å; G734-G739 WeakPolarHBondContact O-CA 3.45Å; D736-G739 PolarHBondContact O-N 3.12Å; G739-N741 PolarHBondContact O-N 3.16Å
740	P	94.8	Very high	91.5	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.071	19%	0.188	C	C	.	.	S	Bend	trans	-78.5	26.8	-169.9	33.9	-38.8	0	0	0	115.1	L690 A695 E699 R783 N784	L690-P740 WeakPolarHBondContact CD1-O 3.38Å; A695-P740 HydrophobicContact CB-CB 3.85Å; E699-P740 HydrophobicContact CG-CB 4.17Å; P740-R783 HydrophobicContact CB-CG 3.98Å; P740-R783 HydrophobicContact CG-CB 4.2Å; P740-R783 HydrophobicContact CG-CG 3.79Å; P740-N784 WeakPolarHBondContact O-CA 3.44Å; P740-N784 PolarHBondContact O-N 2.74Å
741	N	96.6	Very high	91	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.1	178.7	-53	-60.9	0	0	0	110.9	F733 G734 G739 F768 T772 I782 R783 N784 V785	F733-N741 WeakPolarHBondContact CA-O 3.38Å; G734-N741 PolarHBondContact N-O 3.35Å; G734-N741 WeakPolarHBondContact O-CB 3.25Å; G734-N741 PolarHBondContact O-N 3.18Å; G734-N741 VanDerWaalsContact O-N 3.11Å; G734-N741 PolarHBondContact O-ND2 3.3Å; G739-N741 PolarHBondContact O-N 3.16Å; N741-F768 HydrophobicContact CB-CZ 4.02Å; N741-T772 HydrophobicContact CB-CG2 4.45Å; N741-I782 PolarHBondContact ND2-O 3.48Å; N741-I782 PolarHBondContact OD1-O 2.79Å; N741-R783 WeakPolarHBondContact OD1-CA 3.47Å; N741-N784 PolarHBondContact OD1-N 2.92Å; N741-V785 VanDerWaalsContact CA-O 3.29Å; N741-V785 WeakPolarHBondContact CA-O 3.43Å; N741-V785 WeakPolarHBondContact CB-O 3.48Å; N741-V785 PolarHBondContact OD1-N 3.36Å; N741-V785 VanDerWaalsContact OD1-N 3.13Å
742	I	96.4	Very high	90.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.7	-178.9	-52.3	-175.7	0	0	0	110.5	L690 L694 I698 F716 W722 I730 F733 V744 V785 K786 F787	L690-I742 HydrophobicContact CD1-CD1 4.44Å; L690-I742 HydrophobicContact CD1-CG1 4.07Å; L690-I742 HydrophobicContact CD2-CB 4.32Å; L690-I742 HydrophobicContact CD2-CD1 3.61Å; L690-I742 HydrophobicContact CD2-CG1 3.87Å; L694-I742 HydrophobicContact CD2-CD1 3.84Å; L694-I742 HydrophobicContact CG-CD1 4.22Å; I698-I742 HydrophobicContact CD1-CD1 3.94Å; I698-I742 HydrophobicContact CD1-CG1 3.83Å; F716-I742 HydrophobicContact CE1-CD1 3.69Å; F716-I742 HydrophobicContact CZ-CD1 3.81Å; W722-I742 HydrophobicContact CH2-CD1 3.95Å; W722-I742 HydrophobicContact CH2-CG2 4.41Å; W722-I742 HydrophobicContact CZ2-CD1 4.38Å; I730-I742 HydrophobicContact CG1-CG2 4.19Å; I730-I742 HydrophobicContact CG2-CG2 3.81Å; F733-I742 HydrophobicContact CD1-CB 4.42Å; F733-I742 HydrophobicContact CD1-CG1 3.9Å; F733-I742 HydrophobicContact CD1-CG2 4.4Å; F733-I742 HydrophobicContact CE1-CD1 4.09Å; F733-I742 HydrophobicContact CE1-CG1 3.81Å; F733-I742 HydrophobicContact CE1-CG2 4.22Å; I742-V744 HydrophobicContact CG2-CG2 3.65Å; I742-V785 PolarHBondContact N-O 3.3Å; I742-V785 VanDerWaalsContact N-O 3.09Å; I742-K786 WeakPolarHBondContact O-CA 3.41Å; I742-F787 PolarHBondContact O-N 2.71Å
743	L	96.9	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.2	166.6	-177	65.7	0	0	0	110.3	M685 W731 A732 I764 V765 F768 F787 I789	M685-L743 HydrophobicContact CE-CD1 4.19Å; M685-L743 HydrophobicContact SD-CD1 4.5Å; W731-L743 HydrophobicContact CB-CD2 4.2Å; W731-L743 HydrophobicContact CB-CG 4.35Å; W731-L743 HydrophobicContact CE3-CD2 3.97Å; W731-L743 PolarHBondContact N-O 2.96Å; A732-L743 PolarHBondContact O-N 3.18Å; L743-I764 HydrophobicContact CD2-CG2 4.12Å; L743-V765 HydrophobicContact CD2-CG2 4.2Å; L743-F768 HydrophobicContact CB-CD1 3.92Å; L743-F768 HydrophobicContact CB-CD2 4.43Å; L743-F768 HydrophobicContact CB-CE1 3.79Å; L743-F768 HydrophobicContact CB-CE2 4.34Å; L743-F768 HydrophobicContact CB-CG 4.24Å; L743-F768 HydrophobicContact CB-CZ 4.01Å; L743-F768 HydrophobicContact CD1-CD2 4.36Å; L743-F768 HydrophobicContact CD1-CG 4.47Å; L743-F768 HydrophobicContact CD2-CB 4.14Å; L743-F768 HydrophobicContact CD2-CD1 4.1Å; L743-F768 HydrophobicContact CD2-CG 4.06Å; L743-F768 HydrophobicContact CG-CG 4.5Å; L743-F787 HydrophobicContact CD1-CB 3.95Å; L743-I789 HydrophobicContact CD1-CD1 4.16Å; L743-I789 HydrophobicContact CD1-CG1 4.08Å
744	V	95.6	Very high	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.9	-178.7	-176.1	0	0	0	0	110.5	W722 I730 I742 K786 F787 K788 I789	W722-V744 HydrophobicContact CH2-CG2 4.18Å; W722-V744 HydrophobicContact CZ3-CG2 4.03Å; I730-V744 HydrophobicContact CG1-CG2 4.28Å; I742-V744 HydrophobicContact CG2-CG2 3.65Å; V744-K786 HydrophobicContact CG2-CG 4.27Å; V744-F787 PolarHBondContact N-O 2.67Å; V744-K788 HydrophobicContact CB-CG 4.33Å; V744-K788 CarbonylContact O-C 3.55Å; V744-K788 WeakPolarHBondContact O-CA 3.39Å; V744-I789 PolarHBondContact O-N 2.91Å
745	D	94.8	Very high	90.1	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107.3	168	170.7	21.4	0	0	0	110.7	S729 W731 T747 K754	S729-D745 WeakPolarHBondContact CB-O 3.46Å; S729-D745 PolarHBondContact O-N 2.94Å; S729-D745 PolarHBondContact OG-O 2.83Å; W731-D745 HydrophobicContact CD2-CB 4.32Å; W731-D745 VanDerWaalsContact CE2-CB 3.47Å; W731-D745 HydrophobicContact CZ2-CB 3.64Å; D745-T747 WeakPolarHBondContact OD1-CB 3.36Å; D745-T747 WeakPolarHBondContact OD1-CG2 3.32Å; D745-T747 PolarHBondContact OD1-N 2.89Å; D745-T747 PolarHBondContact OD1-OG1 2.88Å; D745-K754 IonicContact OD1-NZ 3.85Å; D745-K754 PolarHBondContact OD1-NZ 3.31Å; D745-K754 VanDerWaalsContact OD1-NZ 3.09Å; D745-K754 IonicContact OD2-NZ 3.8Å; D745-K754 PolarHBondContact OD2-NZ 3.42Å
746	D	92.4	Very high	90.1	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	28%	0.277	S	S	.	.			trans	-107.8	20.7	178.8	-154.7	23.3	0	0	0	111.4	K788 I789 L790	D746-K788 HydrophobicContact CB-CB 4.37Å; D746-I789 CarbonylContact C-O 3.45Å; D746-I789 WeakPolarHBondContact CA-O 3.14Å; D746-I789 PolarHBondContact N-O 2.82Å; D746-L790 HydrophobicContact CB-CD2 4.23Å
747	T	90.8	Very high	90.3	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.043	26%	0.258	C	S	.	.			trans	-78.6	139.4	177.5	63.1	0	0	0	0	111	D745 V752 K754 L757 I789 L790	D745-T747 WeakPolarHBondContact OD1-CB 3.36Å; D745-T747 WeakPolarHBondContact OD1-CG2 3.32Å; D745-T747 PolarHBondContact OD1-N 2.89Å; D745-T747 PolarHBondContact OD1-OG1 2.88Å; T747-V752 HydrophobicContact CG2-CG2 4Å; T747-K754 WeakPolarHBondContact O-CE 3.34Å; T747-K754 PolarHBondContact O-NZ 3.24Å; T747-K754 PolarHBondContact OG1-NZ 2.88Å; T747-L757 HydrophobicContact CG2-CD2 4.47Å; T747-I789 HydrophobicContact CG2-CG2 3.88Å; T747-I789 PolarHBondContact N-O 3.23Å; T747-L790 WeakPolarHBondContact CG2-O 3.44Å
748	L	87	Confident	90.7	Very high	88 Å²	88	41 Å²	41	46%	0.461	25%	0.249	S	C	.	.			trans	-81.1	136.8	173.3	-68.7	171.8	0	0	0	110.5	S750 E751 V752	L748-S750 PolarHBondContact O-N 2.8Å; L748-E751 HydrophobicContact CB-CG 4.35Å; L748-E751 PolarHBondContact O-N 2.57Å; L748-V752 PolarHBondContact O-N 3.18Å; L748-V752 VanDerWaalsContact O-N 3.1Å
749	P	82.6	Confident	90.9	Very high	100 Å²	100	42 Å²	42	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.8	176	-23.6	33.2	0	0	0	114.8	K754	P749-K754 HydrophobicContact CB-CG 4.33Å; P749-K754 HydrophobicContact CG-CG 4.38Å
750	S	85.8	Confident	91.1	Very high	104 Å²	104	42 Å²	42	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.1	173.7	50	0	0	0	0	113.5	L748	L748-S750 PolarHBondContact O-N 2.8Å
751	E	83.8	Confident	91.1	Very high	129 Å²	129	44 Å²	44	60%	0.603	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-39.9	-174.8	-64.4	178.5	174.8	0	0	111.1	L748	L748-E751 HydrophobicContact CB-CG 4.35Å; L748-E751 PolarHBondContact O-N 2.57Å
752	V	87.4	Confident	91	Very high	7 Å²	7	49 Å²	49	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-122.8	133.9	-177	-178.1	0	0	0	0	111	T747 L748 K754 L757 D791 A792	T747-V752 HydrophobicContact CG2-CG2 4Å; L748-V752 PolarHBondContact O-N 3.18Å; L748-V752 VanDerWaalsContact O-N 3.1Å; V752-K754 PolarHBondContact O-N 3.08Å; V752-K754 VanDerWaalsContact O-N 3.13Å; V752-L757 HydrophobicContact CG1-CB 4.07Å; V752-L757 HydrophobicContact CG1-CD2 4.08Å; V752-D791 WeakPolarHBondContact CG2-OD1 3.33Å; V752-A792 HydrophobicContact CG1-CB 4.22Å; V752-A792 WeakPolarHBondContact CG1-O 3.42Å
753	D	89.4	Confident	90.9	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	30%	0.299	S	S	.	.			trans	-69.2	106.7	171	-176.8	-12.6	0	0	0	110.3	A755 L756 L757	D753-A755 VanDerWaalsContact C-N 3.27Å; D753-A755 PolarHBondContact O-N 3.24Å; D753-A755 WeakPolarHBondContact OD1-CB 3.43Å; D753-A755 PolarHBondContact OD1-N 2.94Å; D753-L756 HydrophobicContact CB-CB 3.84Å; D753-L756 WeakPolarHBondContact O-CB 3.23Å; D753-L756 PolarHBondContact O-N 3.25Å; D753-L756 VanDerWaalsContact O-N 3.17Å; D753-L756 PolarHBondContact OD1-N 3.13Å; D753-L757 WeakPolarHBondContact O-CB 3.44Å; D753-L757 PolarHBondContact O-N 3.09Å
754	K	89.3	Confident	90.9	Very high	70 Å²	70	50.1 Å²	50.1	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-29.5	-179.5	-67.2	-64.1	-168.7	-179.5	0	113.6	D745 T747 P749 V752 G758	D745-K754 IonicContact OD1-NZ 3.85Å; D745-K754 PolarHBondContact OD1-NZ 3.31Å; D745-K754 VanDerWaalsContact OD1-NZ 3.09Å; D745-K754 IonicContact OD2-NZ 3.8Å; D745-K754 PolarHBondContact OD2-NZ 3.42Å; T747-K754 WeakPolarHBondContact O-CE 3.34Å; T747-K754 PolarHBondContact O-NZ 3.24Å; T747-K754 PolarHBondContact OG1-NZ 2.88Å; P749-K754 HydrophobicContact CB-CG 4.33Å; P749-K754 HydrophobicContact CG-CG 4.38Å; V752-K754 PolarHBondContact O-N 3.08Å; V752-K754 VanDerWaalsContact O-N 3.13Å; K754-G758 PolarHBondContact O-N 3.11Å
755	A	89.8	Confident	90.9	Very high	80 Å²	80	50.9 Å²	50.9	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-70.9	-41.3	176.4	0	0	0	0	0	110.3	D753 G758 S759	D753-A755 VanDerWaalsContact C-N 3.27Å; D753-A755 PolarHBondContact O-N 3.24Å; D753-A755 WeakPolarHBondContact OD1-CB 3.43Å; D753-A755 PolarHBondContact OD1-N 2.94Å; A755-G758 PolarHBondContact O-N 2.93Å; A755-S759 PolarHBondContact O-N 3.5Å
756	L	90.1	Very high	90.9	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-45.2	176.9	-155.4	73.6	0	0	0	111.8	D753 S759 I794	D753-L756 HydrophobicContact CB-CB 3.84Å; D753-L756 WeakPolarHBondContact O-CB 3.23Å; D753-L756 PolarHBondContact O-N 3.25Å; D753-L756 VanDerWaalsContact O-N 3.17Å; D753-L756 PolarHBondContact OD1-N 3.13Å; L756-S759 PolarHBondContact O-N 2.75Å; L756-S759 PolarHBondContact O-OG 3.39Å; L756-I794 HydrophobicContact CD2-CB 3.8Å; L756-I794 HydrophobicContact CD2-CG2 4.25Å; L756-I794 WeakPolarHBondContact CD2-O 3.33Å; L756-I794 HydrophobicContact CG-CB 3.95Å; L756-I794 HydrophobicContact CG-CG2 3.98Å
757	L	91.2	Very high	91	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-41.3	175.2	-177.3	60	0	0	0	112	W731 T747 V752 D753 S759 V760 K761 I764 A792	W731-L757 HydrophobicContact CH2-CD1 3.76Å; W731-L757 HydrophobicContact CH2-CD2 3.85Å; W731-L757 HydrophobicContact CH2-CG 3.59Å; W731-L757 HydrophobicContact CZ2-CD2 3.83Å; W731-L757 HydrophobicContact CZ2-CG 3.92Å; T747-L757 HydrophobicContact CG2-CD2 4.47Å; V752-L757 HydrophobicContact CG1-CB 4.07Å; V752-L757 HydrophobicContact CG1-CD2 4.08Å; D753-L757 WeakPolarHBondContact O-CB 3.44Å; D753-L757 PolarHBondContact O-N 3.09Å; L757-S759 PolarHBondContact O-N 2.89Å; L757-V760 HydrophobicContact CD1-CG2 4.4Å; L757-V760 VanDerWaalsContact O-CG2 3.25Å; L757-V760 WeakPolarHBondContact O-CG2 3.47Å; L757-V760 PolarHBondContact O-N 2.81Å; L757-K761 PolarHBondContact O-N 3.46Å; L757-I764 HydrophobicContact CD1-CD1 4.14Å; L757-A792 HydrophobicContact CD1-CB 3.62Å
758	G	92.1	Very high	91.3	Very high	40 Å²	40	52.1 Å²	52.1	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-32.3	177.6	0	0	0	0	0	113.4	K754 A755 V760 K761	K754-G758 PolarHBondContact O-N 3.11Å; A755-G758 PolarHBondContact O-N 2.93Å; G758-V760 VanDerWaalsContact C-N 3.28Å; G758-V760 PolarHBondContact O-N 3.02Å; G758-K761 VanDerWaalsContact O-CB 3.25Å; G758-K761 WeakPolarHBondContact O-CB 3.25Å; G758-K761 PolarHBondContact O-N 2.94Å
759	S	92.9	Very high	91.7	Very high	63 Å²	63	50.1 Å²	50.1	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-22.4	179.6	73.2	0	0	0	0	114.7	A755 L756 L757 R801	A755-S759 PolarHBondContact O-N 3.5Å; L756-S759 PolarHBondContact O-N 2.75Å; L756-S759 PolarHBondContact O-OG 3.39Å; L757-S759 PolarHBondContact O-N 2.89Å; S759-R801 PolarHBondContact OG-NH1 2.99Å
760	V	94.1	Very high	92.3	Very high	2 Å²	2	50 Å²	50	1%	0.012	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	4.9	177.9	-64.3	0	0	0	0	112.3	L757 G758 D762 S763 I764 I794 R801 V806	L757-V760 HydrophobicContact CD1-CG2 4.4Å; L757-V760 VanDerWaalsContact O-CG2 3.25Å; L757-V760 WeakPolarHBondContact O-CG2 3.47Å; L757-V760 PolarHBondContact O-N 2.81Å; G758-V760 VanDerWaalsContact C-N 3.28Å; G758-V760 PolarHBondContact O-N 3.02Å; V760-D762 VanDerWaalsContact C-N 3.32Å; V760-D762 PolarHBondContact O-N 3.22Å; V760-S763 PolarHBondContact O-N 3.05Å; V760-I764 HydrophobicContact CG2-CD1 3.9Å; V760-I764 WeakPolarHBondContact O-CG1 3.38Å; V760-I764 PolarHBondContact O-N 3.07Å; V760-I794 HydrophobicContact CG1-CG2 3.98Å; V760-I794 HydrophobicContact CG2-CD1 3.92Å; V760-I794 HydrophobicContact CG2-CG1 4.07Å; V760-I794 HydrophobicContact CG2-CG2 4.34Å; V760-R801 HydrophobicContact CG1-CB 3.86Å; V760-R801 HydrophobicContact CG1-CG 4.18Å; V760-V806 HydrophobicContact CB-CG1 4.41Å; V760-V806 HydrophobicContact CG1-CG2 4.31Å
761	K	94.6	Very high	92.7	Very high	54 Å²	54	45 Å²	45	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-52.7	-50	-176.4	-176.1	-165.7	174.2	-151.7	0	111.4	W731 L757 G758 S763 I764 V765	W731-K761 HydrophobicContact CD2-CD 4.34Å; W731-K761 HydrophobicContact CD2-CG 3.83Å; W731-K761 HydrophobicContact CE3-CG 3.65Å; W731-K761 HydrophobicContact CG-CG 4.41Å; W731-K761 HydrophobicContact CH2-CG 4.38Å; W731-K761 HydrophobicContact CZ3-CB 4.37Å; W731-K761 HydrophobicContact CZ3-CG 3.94Å; L757-K761 PolarHBondContact O-N 3.46Å; G758-K761 VanDerWaalsContact O-CB 3.25Å; G758-K761 WeakPolarHBondContact O-CB 3.25Å; G758-K761 PolarHBondContact O-N 2.94Å; K761-S763 VanDerWaalsContact C-N 3.34Å; K761-S763 PolarHBondContact O-N 3.37Å; K761-I764 PolarHBondContact O-N 3.42Å; K761-I764 VanDerWaalsContact O-N 3.14Å; K761-V765 HydrophobicContact CG-CG2 4.41Å; K761-V765 WeakPolarHBondContact O-CG2 3.47Å; K761-V765 PolarHBondContact O-N 3.28Å
762	D	93.3	Very high	93.3	Very high	106 Å²	106	38.9 Å²	38.9	57%	0.567	22%	0.218	S	C	*	.	H	α-helix	trans	-67.8	-36	-174.4	-57.6	-29.8	0	0	0	111.5	V760 V765 Q766	V760-D762 VanDerWaalsContact C-N 3.32Å; V760-D762 PolarHBondContact O-N 3.22Å; D762-V765 PolarHBondContact O-N 3.48Å; D762-Q766 WeakPolarHBondContact O-CB 3.42Å; D762-Q766 VanDerWaalsContact O-CG 3.27Å; D762-Q766 WeakPolarHBondContact O-CG 3.42Å; D762-Q766 PolarHBondContact O-N 2.85Å
763	S	95.5	Very high	93.7	Very high	22 Å²	22	45.1 Å²	45.1	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-37.4	172.2	-59.1	0	0	0	0	112.8	V760 K761 G767 I807	V760-S763 PolarHBondContact O-N 3.05Å; K761-S763 VanDerWaalsContact C-N 3.34Å; K761-S763 PolarHBondContact O-N 3.37Å; S763-G767 PolarHBondContact O-N 2.8Å; S763-I807 WeakPolarHBondContact O-CG1 3.17Å
764	I	96.3	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-43.7	174.2	-65.4	172	0	0	0	110.1	I683 M685 W731 L743 L757 V760 K761 G767 F768 I789 V806 A810	I683-I764 HydrophobicContact CD1-CD1 4.17Å; I683-I764 HydrophobicContact CD1-CG1 4.03Å; M685-I764 HydrophobicContact CE-CG2 3.91Å; W731-I764 HydrophobicContact CH2-CD1 4.43Å; W731-I764 HydrophobicContact CZ3-CB 4.25Å; W731-I764 HydrophobicContact CZ3-CD1 4.01Å; W731-I764 HydrophobicContact CZ3-CG2 4.14Å; L743-I764 HydrophobicContact CD2-CG2 4.12Å; L757-I764 HydrophobicContact CD1-CD1 4.14Å; V760-I764 HydrophobicContact CG2-CD1 3.9Å; V760-I764 WeakPolarHBondContact O-CG1 3.38Å; V760-I764 PolarHBondContact O-N 3.07Å; K761-I764 PolarHBondContact O-N 3.42Å; K761-I764 VanDerWaalsContact O-N 3.14Å; I764-G767 PolarHBondContact O-N 3.09Å; I764-F768 WeakPolarHBondContact O-CB 3.49Å; I764-F768 PolarHBondContact O-N 3.31Å; I764-I789 HydrophobicContact CG2-CD1 4.15Å; I764-V806 HydrophobicContact CG1-CG1 3.84Å; I764-A810 HydrophobicContact CG2-CB 4.4Å
765	V	95.6	Very high	93.9	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.7	170.2	0	0	0	0	111	W731 A732 L743 K761 D762 F768 Q769	W731-V765 HydrophobicContact CB-CG2 4.37Å; W731-V765 HydrophobicContact CE3-CG2 4.48Å; A732-V765 HydrophobicContact CB-CB 4.34Å; A732-V765 HydrophobicContact CB-CG1 3.56Å; A732-V765 HydrophobicContact CB-CG2 3.87Å; L743-V765 HydrophobicContact CD2-CG2 4.2Å; K761-V765 HydrophobicContact CG-CG2 4.41Å; K761-V765 WeakPolarHBondContact O-CG2 3.47Å; K761-V765 PolarHBondContact O-N 3.28Å; D762-V765 PolarHBondContact O-N 3.48Å; V765-F768 PolarHBondContact O-N 3.43Å; V765-Q769 HydrophobicContact CG1-CG 4.35Å; V765-Q769 WeakPolarHBondContact O-CB 3.25Å; V765-Q769 WeakPolarHBondContact O-CG 3.34Å; V765-Q769 PolarHBondContact O-N 3.34Å
766	Q	94.3	Very high	94.1	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-46.4	175.8	-74.6	174.7	14.4	0	0	111.8	D762 F768 W770 I807	D762-Q766 WeakPolarHBondContact O-CB 3.42Å; D762-Q766 VanDerWaalsContact O-CG 3.27Å; D762-Q766 WeakPolarHBondContact O-CG 3.42Å; D762-Q766 PolarHBondContact O-N 2.85Å; Q766-F768 VanDerWaalsContact C-N 3.33Å; Q766-F768 PolarHBondContact O-N 2.74Å; Q766-W770 VanDerWaalsContact O-CB 3.25Å; Q766-W770 WeakPolarHBondContact O-CB 3.41Å; Q766-W770 PolarHBondContact O-N 3.15Å; Q766-I807 HydrophobicContact CB-CD1 4.46Å; Q766-I807 HydrophobicContact CB-CG1 4.33Å; Q766-I807 VanDerWaalsContact OE1-CD1 3.26Å
767	G	95.7	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-35.1	176.3	0	0	0	0	0	113.4	S763 I764 G771	S763-G767 PolarHBondContact O-N 2.8Å; I764-G767 PolarHBondContact O-N 3.09Å; G767-G771 PolarHBondContact O-N 2.97Å
768	F	96.8	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-52.2	174.8	162.7	-106.6	0	0	0	111.9	N741 L743 I764 V765 Q766 W770 G771 T772 F787 V814	N741-F768 HydrophobicContact CB-CZ 4.02Å; L743-F768 HydrophobicContact CB-CD1 3.92Å; L743-F768 HydrophobicContact CB-CD2 4.43Å; L743-F768 HydrophobicContact CB-CE1 3.79Å; L743-F768 HydrophobicContact CB-CE2 4.34Å; L743-F768 HydrophobicContact CB-CG 4.24Å; L743-F768 HydrophobicContact CB-CZ 4.01Å; L743-F768 HydrophobicContact CD1-CD2 4.36Å; L743-F768 HydrophobicContact CD1-CG 4.47Å; L743-F768 HydrophobicContact CD2-CB 4.14Å; L743-F768 HydrophobicContact CD2-CD1 4.1Å; L743-F768 HydrophobicContact CD2-CG 4.06Å; L743-F768 HydrophobicContact CG-CG 4.5Å; I764-F768 WeakPolarHBondContact O-CB 3.49Å; I764-F768 PolarHBondContact O-N 3.31Å; V765-F768 PolarHBondContact O-N 3.43Å; Q766-F768 VanDerWaalsContact C-N 3.33Å; Q766-F768 PolarHBondContact O-N 2.74Å; F768-W770 PolarHBondContact O-N 3.28Å; F768-G771 PolarHBondContact O-N 2.77Å; F768-T772 HydrophobicContact CD2-CG2 3.88Å; F768-T772 HydrophobicContact CE2-CG2 3.41Å; F768-T772 VanDerWaalsContact CE2-CG2 3.41Å; F768-T772 HydrophobicContact CZ-CG2 3.92Å; F768-T772 WeakPolarHBondContact O-CG2 3.1Å; F768-T772 PolarHBondContact O-N 2.95Å; F768-T772 PolarHBondContact O-OG1 2.84Å; F768-T772 VanDerWaalsContact O-OG1 3.05Å; F768-F787 HydrophobicContact CD2-CD2 4.2Å; F768-F787 HydrophobicContact CD2-CG 4.46Å; F768-F787 HydrophobicContact CE2-CB 4.32Å; F768-F787 AromaticContact CE2-CD2 3.42Å; F768-F787 HydrophobicContact CE2-CD2 3.42Å; F768-F787 VanDerWaalsContact CE2-CD2 3.42Å; F768-F787 AromaticContact CE2-CE2 3.92Å; F768-F787 HydrophobicContact CE2-CE2 3.92Å; F768-F787 HydrophobicContact CE2-CG 4.04Å; F768-F787 HydrophobicContact CZ-CD2 4.33Å; F768-V814 HydrophobicContact CB-CG2 4.41Å; F768-V814 HydrophobicContact CD2-CG2 3.98Å
769	Q	95.4	Very high	94.3	Very high	47 Å²	47	35.5 Å²	35.5	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-47.2	179.1	-78.1	179.8	-24.2	0	0	111	F733 P735 V765 G771 T772 R773	F733-Q769 PolarHBondContact O-NE2 3.4Å; P735-Q769 VanDerWaalsContact O-CB 3.29Å; P735-Q769 WeakPolarHBondContact O-CB 3.45Å; P735-Q769 WeakPolarHBondContact O-CG 3.35Å; V765-Q769 HydrophobicContact CG1-CG 4.35Å; V765-Q769 WeakPolarHBondContact O-CB 3.25Å; V765-Q769 WeakPolarHBondContact O-CG 3.34Å; V765-Q769 PolarHBondContact O-N 3.34Å; Q769-G771 PolarHBondContact O-N 2.75Å; Q769-T772 PolarHBondContact O-N 2.83Å; Q769-T772 PolarHBondContact O-OG1 3.1Å; Q769-R773 WeakPolarHBondContact O-CB 3.08Å; Q769-R773 PolarHBondContact O-N 3.42Å
770	W	95	Very high	94.4	Very high	96 Å²	96	32.8 Å²	32.8	36%	0.364	15%	0.151	S	C	.	.	H	α-helix	trans	-58.7	-48.6	174.1	-178.2	24.3	0	0	0	112.1	Q766 F768 T772 R773 E774 I807 R811	Q766-W770 VanDerWaalsContact O-CB 3.25Å; Q766-W770 WeakPolarHBondContact O-CB 3.41Å; Q766-W770 PolarHBondContact O-N 3.15Å; F768-W770 PolarHBondContact O-N 3.28Å; W770-T772 PolarHBondContact O-N 3.46Å; W770-R773 WeakPolarHBondContact O-CB 3.37Å; W770-R773 PolarHBondContact O-N 2.79Å; W770-R773 VanDerWaalsContact O-N 3.15Å; W770-E774 VanDerWaalsContact NE1-CD 3.35Å; W770-E774 PolarHBondContact NE1-OE1 3.13Å; W770-E774 PolarHBondContact O-N 3.05Å; W770-I807 HydrophobicContact CE3-CG2 3.96Å; W770-I807 HydrophobicContact CZ3-CG2 4.23Å; W770-R811 VanDerWaalsContact CE2-NH1 3.31Å; W770-R811 HydrophobicContact CE3-CB 4.49Å
771	G	94.8	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-45.2	176.7	0	0	0	0	0	112.6	G767 F768 Q769 R773 G775 Y815	G767-G771 PolarHBondContact O-N 2.97Å; F768-G771 PolarHBondContact O-N 2.77Å; Q769-G771 PolarHBondContact O-N 2.75Å; G771-R773 VanDerWaalsContact C-N 3.29Å; G771-R773 PolarHBondContact O-N 3.49Å; G771-G775 PolarHBondContact O-N 3.3Å; G771-Y815 VanDerWaalsContact O-CE1 3.23Å; G771-Y815 WeakPolarHBondContact O-CE1 3.08Å
772	T	96.6	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72.2	-18.5	178.2	54.2	0	0	0	0	114.4	P735 N741 F768 Q769 W770 P781 I782 F787 V814	P735-T772 VanDerWaalsContact CA-OG1 3.26Å; P735-T772 WeakPolarHBondContact CA-OG1 3.35Å; N741-T772 HydrophobicContact CB-CG2 4.45Å; F768-T772 HydrophobicContact CD2-CG2 3.88Å; F768-T772 HydrophobicContact CE2-CG2 3.41Å; F768-T772 VanDerWaalsContact CE2-CG2 3.41Å; F768-T772 HydrophobicContact CZ-CG2 3.92Å; F768-T772 WeakPolarHBondContact O-CG2 3.1Å; F768-T772 PolarHBondContact O-N 2.95Å; F768-T772 PolarHBondContact O-OG1 2.84Å; F768-T772 VanDerWaalsContact O-OG1 3.05Å; Q769-T772 PolarHBondContact O-N 2.83Å; Q769-T772 PolarHBondContact O-OG1 3.1Å; W770-T772 PolarHBondContact O-N 3.46Å; T772-P781 WeakPolarHBondContact O-CA 3.47Å; T772-I782 HydrophobicContact CG2-CB 4.26Å; T772-I782 HydrophobicContact CG2-CD1 4.26Å; T772-I782 PolarHBondContact O-N 2.78Å; T772-F787 HydrophobicContact CG2-CE2 4.02Å; T772-V814 HydrophobicContact CG2-CG1 4.41Å
773	R	94.1	Very high	94.7	Very high	139 Å²	139	27.9 Å²	27.9	53%	0.525	13%	0.128	S	C	.	.	H	α-helix	trans	-75.7	-39.2	176.8	-173	178.3	-70.6	169.8	-3	111.6	P735 D736 Q769 W770 G771	P735-R773 HydrophobicContact CB-CB 3.68Å; P735-R773 HydrophobicContact CB-CG 4.27Å; D736-R773 IonicContact OD1-CZ 3.92Å; D736-R773 IonicContact OD1-NE 3.21Å; D736-R773 IonicContact OD1-NH2 3.7Å; D736-R773 PolarHBondContact OD1-NH2 3.15Å; Q769-R773 WeakPolarHBondContact O-CB 3.08Å; Q769-R773 PolarHBondContact O-N 3.42Å; W770-R773 WeakPolarHBondContact O-CB 3.37Å; W770-R773 PolarHBondContact O-N 2.79Å; W770-R773 VanDerWaalsContact O-N 3.15Å; G771-R773 VanDerWaalsContact C-N 3.29Å; G771-R773 PolarHBondContact O-N 3.49Å
774	E	91.1	Very high	94.7	Very high	53 Å²	53	28.4 Å²	28.4	25%	0.248	13%	0.129	C	C	.	.	H	α-helix	trans	-90.3	-49.6	178.3	-71	172	-163.8	0	0	111.2	W770 D779 E780 R811 Y815	W770-E774 VanDerWaalsContact NE1-CD 3.35Å; W770-E774 PolarHBondContact NE1-OE1 3.13Å; W770-E774 PolarHBondContact O-N 3.05Å; E774-D779 CarbonylContact O-C 3.53Å; E774-D779 WeakPolarHBondContact O-CA 3.29Å; E774-E780 CarbonylContact C-O 3.55Å; E774-E780 CarbonylContact O-C 3.51Å; E774-E780 WeakPolarHBondContact O-CA 2.93Å; E774-E780 PolarHBondContact O-N 2.6Å; E774-R811 IonicContact OE2-CZ 3.32Å; E774-R811 IonicContact OE2-NE 4Å; E774-R811 IonicContact OE2-NH1 2.84Å; E774-R811 PolarHBondContact OE2-NH1 3.42Å; E774-R811 IonicContact OE2-NH2 2.9Å; E774-R811 PolarHBondContact OE2-NH2 3.32Å; E774-Y815 WeakPolarHBondContact CB-OH 3.33Å
775	G	93.6	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.			trans	73.5	149.6	-175.8	0	0	0	0	0	114	G771	G771-G775 PolarHBondContact O-N 3.3Å
776	P	93.8	Very high	94.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.013	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.1	-173	32	-36.7	0	0	0	116.3	E662 Y815 F818 L819 F950	E662-P776 WeakPolarHBondContact OE2-CD 3.13Å; E662-P776 VanDerWaalsContact OE2-N 3.15Å; P776-Y815 HydrophobicContact CB-CD1 3.76Å; P776-Y815 HydrophobicContact CB-CD2 4.44Å; P776-Y815 HydrophobicContact CB-CE1 4.25Å; P776-Y815 HydrophobicContact CB-CG 3.84Å; P776-Y815 HydrophobicContact CG-CD1 3.87Å; P776-Y815 HydrophobicContact CG-CE1 4.46Å; P776-Y815 HydrophobicContact CG-CG 4.33Å; P776-F818 HydrophobicContact CG-CB 4.41Å; P776-F818 HydrophobicContact CG-CD1 3.37Å; P776-F818 HydrophobicContact CG-CE1 3.92Å; P776-F818 HydrophobicContact CG-CG 4.13Å; P776-L819 HydrophobicContact CB-CD1 4.28Å; P776-L819 HydrophobicContact CB-CD2 4.25Å; P776-L819 HydrophobicContact CB-CG 4.21Å; P776-L819 HydrophobicContact CG-CD2 4.12Å; P776-L819 HydrophobicContact CG-CG 4.13Å; P776-F950 HydrophobicContact CB-CE2 4.39Å
777	L	93	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-48.1	-174.6	-60.2	175.8	0	0	0	112.6	E662 F818 L819 P823 L825 P909 L910 R936 V945	E662-L777 HydrophobicContact CB-CD1 4.26Å; E662-L777 VanDerWaalsContact CD-CB 3.44Å; E662-L777 VanDerWaalsContact CD-N 3.31Å; E662-L777 HydrophobicContact CG-CB 4.18Å; E662-L777 HydrophobicContact CG-CD1 4.1Å; E662-L777 HydrophobicContact CG-CG 4.36Å; E662-L777 WeakPolarHBondContact OE1-CA 3.39Å; E662-L777 WeakPolarHBondContact OE1-CB 3.28Å; E662-L777 PolarHBondContact OE1-N 3.32Å; E662-L777 WeakPolarHBondContact OE2-CB 3.4Å; E662-L777 WeakPolarHBondContact OE2-CG 3.27Å; E662-L777 PolarHBondContact OE2-N 3.21Å; L777-F818 HydrophobicContact CD1-CE1 4.23Å; L777-F818 HydrophobicContact CG-CE1 4.07Å; L777-L819 HydrophobicContact CD2-CD2 3.95Å; L777-P823 HydrophobicContact CD1-CB 4.15Å; L777-P823 HydrophobicContact CD2-CB 4.16Å; L777-P823 HydrophobicContact CD2-CG 4.16Å; L777-P823 HydrophobicContact CG-CB 4.48Å; L777-L825 HydrophobicContact CB-CD2 4.47Å; L777-L825 HydrophobicContact CD1-CD2 3.84Å; L777-L825 HydrophobicContact CD1-CG 4.34Å; L777-P909 HydrophobicContact CD1-CG 4.2Å; L777-L910 HydrophobicContact CD2-CD2 3.92Å; L777-L910 HydrophobicContact CD2-CG 4.37Å; L777-R936 WeakPolarHBondContact O-CD 3.46Å; L777-R936 VanDerWaalsContact O-CG 3.31Å; L777-R936 WeakPolarHBondContact O-CG 3.3Å; L777-R936 PolarHBondContact O-NH1 3.16Å; L777-V945 HydrophobicContact CD2-CG2 4.33Å
778	C	92.1	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.6	24.7	-174.6	59.5	0	0	0	0	113	E662 E780 T935 R936 K939	E662-C778 PolarHBondContact OE1-N 2.9Å; C778-E780 PolarHBondContact O-N 3.08Å; C778-T935 HydrophobicContact CB-CG2 3.85Å; C778-R936 HydrophobicContact CB-CG 4.08Å; C778-K939 WeakPolarHBondContact O-CD 3.33Å; C778-K939 WeakPolarHBondContact O-CE 3.22Å; C778-K939 PolarHBondContact O-NZ 3.43Å
779	D	92.7	Very high	95	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	11%	0.11	C	C	.	.	S	Bend	trans	52.7	35.6	-175.2	-67.4	-20	0	0	0	113.1	E774 K939 L941	E774-D779 CarbonylContact O-C 3.53Å; E774-D779 WeakPolarHBondContact O-CA 3.29Å; D779-K939 HydrophobicContact CB-CD 3.96Å; D779-K939 PolarHBondContact O-NZ 2.83Å; D779-L941 HydrophobicContact CB-CD1 4.31Å; D779-L941 WeakPolarHBondContact OD2-CD1 3.3Å; D779-L941 WeakPolarHBondContact OD2-CD2 3.46Å
780	E	93.5	Very high	94.9	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.033	11%	0.106	C	C	.	.			trans	-111.5	152.5	170.2	-70.1	-61.2	151.8	0	0	112.2	K618 F660 E774 C778 I782 K939	K618-E780 IonicContact NZ-OE1 3.78Å; F660-E780 HydrophobicContact CB-CG 4.44Å; F660-E780 WeakPolarHBondContact O-CB 3.39Å; E774-E780 CarbonylContact C-O 3.55Å; E774-E780 CarbonylContact O-C 3.51Å; E774-E780 WeakPolarHBondContact O-CA 2.93Å; E774-E780 PolarHBondContact O-N 2.6Å; C778-E780 PolarHBondContact O-N 3.08Å; E780-I782 PolarHBondContact O-N 2.93Å; E780-K939 VanDerWaalsContact CD-NZ 3.32Å; E780-K939 WeakPolarHBondContact OE1-CE 3.44Å; E780-K939 IonicContact OE1-NZ 3.55Å; E780-K939 PolarHBondContact OE1-NZ 3.28Å
781	P	95.1	Very high	94.8	Very high	41 Å²	41	21.8 Å²	21.8	27%	0.266	10%	0.103	S	C	.	.			trans	-59.8	139.5	-169.2	22.7	-34	0	0	0	113.7	C661 E662 T772	C661-P781 CarbonylContact C-O 3.58Å; C661-P781 WeakPolarHBondContact CA-O 3.11Å; C661-P781 WeakPolarHBondContact CB-O 3.44Å; E662-P781 PolarHBondContact N-O 2.92Å; T772-P781 WeakPolarHBondContact O-CA 3.47Å
782	I	97.2	Very high	94.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-73	141.1	172.3	-58.7	-177	0	0	0	108.9	E662 N741 T772 E780 V785 F787 V814 F818	E662-I782 HydrophobicContact CB-CG1 4.39Å; E662-I782 CarbonylContact O-C 3.5Å; E662-I782 WeakPolarHBondContact O-CA 3.38Å; N741-I782 PolarHBondContact ND2-O 3.48Å; N741-I782 PolarHBondContact OD1-O 2.79Å; T772-I782 HydrophobicContact CG2-CB 4.26Å; T772-I782 HydrophobicContact CG2-CD1 4.26Å; T772-I782 PolarHBondContact O-N 2.78Å; E780-I782 PolarHBondContact O-N 2.93Å; I782-V785 HydrophobicContact CG2-CB 3.89Å; I782-V785 HydrophobicContact CG2-CG2 3.42Å; I782-V785 VanDerWaalsContact CG2-CG2 3.42Å; I782-F787 HydrophobicContact CD1-CZ 4.29Å; I782-F787 HydrophobicContact CG2-CE2 4.45Å; I782-V814 HydrophobicContact CD1-CG1 4.48Å; I782-F818 HydrophobicContact CD1-CD2 3.99Å; I782-F818 HydrophobicContact CD1-CE2 4.35Å; I782-F818 HydrophobicContact CD1-CG 4.3Å; I782-F818 HydrophobicContact CG1-CE2 4.41Å; I782-F818 HydrophobicContact CG2-CD2 4.06Å; I782-F818 HydrophobicContact CG2-CE2 3.82Å
783	R	95.8	Very high	94.5	Very high	17 Å²	17	25.9 Å²	25.9	6%	0.064	13%	0.129	C	C	.	.			trans	-138.7	142.4	-179.7	-176.5	-177.9	-177.9	83.2	7	111.8	C661 E662 T663 E699 P740 N741 V785 M826 W902	C661-R783 HydrophobicContact CB-CB 3.81Å; E662-R783 PolarHBondContact O-N 2.76Å; T663-R783 VanDerWaalsContact CB-O 3.24Å; T663-R783 WeakPolarHBondContact CB-O 3.31Å; T663-R783 PolarHBondContact OG1-O 3.41Å; E699-R783 IonicContact OE1-CZ 3.83Å; E699-R783 IonicContact OE1-NH1 3.1Å; E699-R783 PolarHBondContact OE1-NH1 3.22Å; E699-R783 IonicContact OE1-NH2 3.47Å; E699-R783 IonicContact OE2-CZ 3.32Å; E699-R783 VanDerWaalsContact OE2-CZ 3.28Å; E699-R783 IonicContact OE2-NH1 2.77Å; E699-R783 PolarHBondContact OE2-NH1 2.89Å; E699-R783 IonicContact OE2-NH2 2.79Å; E699-R783 PolarHBondContact OE2-NH2 3.04Å; P740-R783 HydrophobicContact CB-CG 3.98Å; P740-R783 HydrophobicContact CG-CB 4.2Å; P740-R783 HydrophobicContact CG-CG 3.79Å; N741-R783 WeakPolarHBondContact OD1-CA 3.47Å; R783-V785 VanDerWaalsContact C-N 3.35Å; R783-V785 WeakPolarHBondContact O-CG2 3.29Å; R783-V785 PolarHBondContact O-N 3Å; R783-M826 HydrophobicContact CB-SD 4.18Å; R783-M826 HydrophobicContact CG-SD 4.18Å; R783-W902 VanDerWaalsContact NE-CD1 3.27Å
784	N	96.6	Very high	94.5	Very high	33 Å²	33	20 Å²	20	18%	0.176	11%	0.107	C	C	.	.	S	Bend	trans	64.8	35.4	171.7	-159.3	60.5	0	0	0	113.3	L690 A695 P740 N741	L690-N784 WeakPolarHBondContact CB-OD1 3.17Å; L690-N784 PolarHBondContact N-O 3.23Å; L690-N784 PolarHBondContact O-ND2 2.74Å; A695-N784 HydrophobicContact CB-CB 4.34Å; A695-N784 WeakPolarHBondContact CB-OD1 3.44Å; P740-N784 WeakPolarHBondContact O-CA 3.44Å; P740-N784 PolarHBondContact O-N 2.74Å; N741-N784 PolarHBondContact OD1-N 2.92Å
785	V	97.3	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	-178.3	-170	0	0	0	0	111.7	V664 A687 N741 I742 I782 R783 F787 F818	V664-V785 HydrophobicContact CG1-CG1 4.33Å; V664-V785 HydrophobicContact CG1-CG2 4.25Å; V664-V785 HydrophobicContact CG2-CB 4.36Å; V664-V785 HydrophobicContact CG2-CG1 3.83Å; V664-V785 HydrophobicContact CG2-CG2 3.93Å; A687-V785 HydrophobicContact CB-CG1 3.99Å; N741-V785 VanDerWaalsContact CA-O 3.29Å; N741-V785 WeakPolarHBondContact CA-O 3.43Å; N741-V785 WeakPolarHBondContact CB-O 3.48Å; N741-V785 PolarHBondContact OD1-N 3.36Å; N741-V785 VanDerWaalsContact OD1-N 3.13Å; I742-V785 PolarHBondContact N-O 3.3Å; I742-V785 VanDerWaalsContact N-O 3.09Å; I782-V785 HydrophobicContact CG2-CB 3.89Å; I782-V785 HydrophobicContact CG2-CG2 3.42Å; I782-V785 VanDerWaalsContact CG2-CG2 3.42Å; R783-V785 VanDerWaalsContact C-N 3.35Å; R783-V785 WeakPolarHBondContact O-CG2 3.29Å; R783-V785 PolarHBondContact O-N 3Å; V785-F787 HydrophobicContact CB-CD2 4.41Å; V785-F787 HydrophobicContact CB-CE2 3.78Å; V785-F787 HydrophobicContact CB-CZ 4.26Å; V785-F787 HydrophobicContact CG1-CD2 3.97Å; V785-F787 HydrophobicContact CG1-CE1 4.26Å; V785-F787 HydrophobicContact CG1-CE2 3.47Å; V785-F787 VanDerWaalsContact CG1-CE2 3.47Å; V785-F787 HydrophobicContact CG1-CZ 3.63Å; V785-F818 HydrophobicContact CG1-CD2 4.48Å; V785-F818 HydrophobicContact CG2-CD2 4.22Å; V785-F818 HydrophobicContact CG2-CE2 3.95Å
786	K	97.1	Very high	94.4	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.1	173.9	-179.7	167.4	167.7	-158.2	0	109.7	A687 E688 L690 W722 I742 V744 K788	A687-K786 CarbonylContact C-O 3.58Å; A687-K786 WeakPolarHBondContact CA-O 3.4Å; E688-K786 HydrophobicContact CG-CB 3.68Å; E688-K786 HydrophobicContact CG-CD 3.98Å; E688-K786 HydrophobicContact CG-CG 3.94Å; E688-K786 PolarHBondContact N-O 2.89Å; E688-K786 WeakPolarHBondContact O-CB 3.34Å; E688-K786 PolarHBondContact O-N 2.94Å; E688-K786 WeakPolarHBondContact OE1-CD 3.21Å; E688-K786 WeakPolarHBondContact OE1-CE 3.27Å; E688-K786 IonicContact OE1-NZ 3.09Å; E688-K786 PolarHBondContact OE1-NZ 3.17Å; L690-K786 HydrophobicContact CD2-CB 3.65Å; L690-K786 HydrophobicContact CD2-CD 4.08Å; L690-K786 HydrophobicContact CD2-CG 4.31Å; L690-K786 HydrophobicContact CG-CB 4.04Å; W722-K786 HydrophobicContact CH2-CD 3.56Å; W722-K786 HydrophobicContact CZ2-CD 3.67Å; W722-K786 VanDerWaalsContact CZ2-NZ 3.34Å; I742-K786 WeakPolarHBondContact O-CA 3.41Å; V744-K786 HydrophobicContact CG2-CG 4.27Å; K786-K788 HydrophobicContact CG-CG 4.49Å
787	F	97.5	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	176.1	-67.3	-89.6	0	0	0	109.3	I686 A687 I742 L743 V744 F768 T772 I782 V785 V814 A817 F818	I686-F787 WeakPolarHBondContact O-CA 3.35Å; A687-F787 HydrophobicContact CB-CD1 4.1Å; A687-F787 HydrophobicContact CB-CE1 3.9Å; I742-F787 PolarHBondContact O-N 2.71Å; L743-F787 HydrophobicContact CD1-CB 3.95Å; V744-F787 PolarHBondContact N-O 2.67Å; F768-F787 HydrophobicContact CD2-CD2 4.2Å; F768-F787 HydrophobicContact CD2-CG 4.46Å; F768-F787 HydrophobicContact CE2-CB 4.32Å; F768-F787 AromaticContact CE2-CD2 3.42Å; F768-F787 HydrophobicContact CE2-CD2 3.42Å; F768-F787 VanDerWaalsContact CE2-CD2 3.42Å; F768-F787 AromaticContact CE2-CE2 3.92Å; F768-F787 HydrophobicContact CE2-CE2 3.92Å; F768-F787 HydrophobicContact CE2-CG 4.04Å; F768-F787 HydrophobicContact CZ-CD2 4.33Å; T772-F787 HydrophobicContact CG2-CE2 4.02Å; I782-F787 HydrophobicContact CD1-CZ 4.29Å; I782-F787 HydrophobicContact CG2-CE2 4.45Å; V785-F787 HydrophobicContact CB-CD2 4.41Å; V785-F787 HydrophobicContact CB-CE2 3.78Å; V785-F787 HydrophobicContact CB-CZ 4.26Å; V785-F787 HydrophobicContact CG1-CD2 3.97Å; V785-F787 HydrophobicContact CG1-CE1 4.26Å; V785-F787 HydrophobicContact CG1-CE2 3.47Å; V785-F787 VanDerWaalsContact CG1-CE2 3.47Å; V785-F787 HydrophobicContact CG1-CZ 3.63Å; F787-V814 HydrophobicContact CD1-CG1 4.31Å; F787-V814 HydrophobicContact CD1-CG2 4.4Å; F787-V814 HydrophobicContact CE1-CB 4.3Å; F787-V814 HydrophobicContact CE1-CG1 3.7Å; F787-V814 WeakPolarHBondContact CE1-O 3.26Å; F787-V814 HydrophobicContact CE2-CG1 4.37Å; F787-V814 HydrophobicContact CZ-CG1 3.71Å; F787-A817 HydrophobicContact CD1-CB 4.48Å; F787-A817 HydrophobicContact CE1-CB 4.48Å; F787-F818 HydrophobicContact CE1-CB 4.3Å; F787-F818 HydrophobicContact CZ-CB 4.37Å; F787-F818 HydrophobicContact CZ-CD2 4.35Å
788	K	96	Very high	93.9	Very high	34 Å²	34	34.4 Å²	34.4	15%	0.148	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	176.2	-68.6	173.6	166.6	164.7	0	110.2	M685 I686 E688 V744 D746 K786 L790	M685-K788 CarbonylContact C-O 3.47Å; M685-K788 WeakPolarHBondContact CA-O 3.32Å; I686-K788 HydrophobicContact CD1-CB 4.33Å; I686-K788 HydrophobicContact CD1-CD 4.03Å; I686-K788 HydrophobicContact CG1-CB 3.76Å; I686-K788 HydrophobicContact CG1-CD 4.31Å; I686-K788 PolarHBondContact N-O 3.38Å; I686-K788 PolarHBondContact O-N 3.12Å; E688-K788 VanDerWaalsContact CD-CE 3.44Å; E688-K788 WeakPolarHBondContact OE1-CE 3.44Å; E688-K788 IonicContact OE1-NZ 2.78Å; E688-K788 PolarHBondContact OE1-NZ 3.24Å; E688-K788 WeakPolarHBondContact OE2-CE 3.33Å; E688-K788 IonicContact OE2-NZ 2.67Å; E688-K788 PolarHBondContact OE2-NZ 3.42Å; V744-K788 HydrophobicContact CB-CG 4.33Å; V744-K788 CarbonylContact O-C 3.55Å; V744-K788 WeakPolarHBondContact O-CA 3.39Å; D746-K788 HydrophobicContact CB-CB 4.37Å; K786-K788 HydrophobicContact CG-CG 4.49Å; K788-L790 HydrophobicContact CB-CD2 4.38Å
789	I	95.9	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.9	168.3	-55.1	172	0	0	0	107.4	M685 W731 L743 V744 D746 T747 I764	M685-I789 HydrophobicContact CE-CD1 4.25Å; M685-I789 HydrophobicContact CE-CG1 3.89Å; M685-I789 HydrophobicContact CG-CG1 4.19Å; W731-I789 HydrophobicContact CE3-CD1 3.88Å; W731-I789 HydrophobicContact CH2-CD1 3.74Å; W731-I789 HydrophobicContact CZ2-CD1 4.45Å; W731-I789 HydrophobicContact CZ3-CD1 3.42Å; W731-I789 VanDerWaalsContact CZ3-CD1 3.42Å; L743-I789 HydrophobicContact CD1-CD1 4.16Å; L743-I789 HydrophobicContact CD1-CG1 4.08Å; V744-I789 PolarHBondContact O-N 2.91Å; D746-I789 CarbonylContact C-O 3.45Å; D746-I789 WeakPolarHBondContact CA-O 3.14Å; D746-I789 PolarHBondContact N-O 2.82Å; T747-I789 HydrophobicContact CG2-CG2 3.88Å; T747-I789 PolarHBondContact N-O 3.23Å; I764-I789 HydrophobicContact CG2-CD1 4.15Å
790	L	93.4	Very high	93.6	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.141	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-32.2	-178.9	-63.8	-176.2	0	0	0	112.8	K671 T684 I686 D746 T747 K788	K671-L790 HydrophobicContact CD-CD1 3.64Å; K671-L790 HydrophobicContact CG-CD1 3.79Å; T684-L790 PolarHBondContact O-N 2.95Å; I686-L790 HydrophobicContact CB-CD1 4.34Å; I686-L790 HydrophobicContact CD1-CD1 4.02Å; I686-L790 HydrophobicContact CD1-CD2 4.25Å; I686-L790 HydrophobicContact CD1-CG 4.41Å; I686-L790 HydrophobicContact CG1-CD1 3.94Å; I686-L790 HydrophobicContact CG1-CD2 4.33Å; I686-L790 HydrophobicContact CG1-CG 4.09Å; I686-L790 HydrophobicContact CG2-CD1 3.57Å; I686-L790 HydrophobicContact CG2-CG 4.44Å; D746-L790 HydrophobicContact CB-CD2 4.23Å; T747-L790 WeakPolarHBondContact CG2-O 3.44Å; K788-L790 HydrophobicContact CB-CD2 4.38Å
791	D	92.8	Very high	93.3	Very high	55 Å²	55	43.1 Å²	43.1	29%	0.294	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	148.5	178.9	-175.7	24.7	0	0	0	110.1	T684 V752	T684-D791 PolarHBondContact N-O 2.95Å; V752-D791 WeakPolarHBondContact CG2-OD1 3.33Å
792	A	93.8	Very high	93.1	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	110.9	177.9	0	0	0	0	0	111	K682 V752 L757 I794	K682-A792 CarbonylContact O-C 3.58Å; K682-A792 WeakPolarHBondContact O-CA 3.47Å; V752-A792 HydrophobicContact CG1-CB 4.22Å; V752-A792 WeakPolarHBondContact CG1-O 3.42Å; L757-A792 HydrophobicContact CD1-CB 3.62Å; A792-I794 HydrophobicContact CB-CD1 4.41Å; A792-I794 HydrophobicContact CB-CG1 4.35Å
793	V	93.3	Very high	92.7	Very high	79 Å²	79	44 Å²	44	48%	0.479	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.8	170.1	-176.4	0	0	0	0	107.2	N681 K682	N681-V793 CarbonylContact C-O 3.47Å; N681-V793 WeakPolarHBondContact CA-O 3.32Å; K682-V793 HydrophobicContact CB-CB 4.12Å; K682-V793 HydrophobicContact CB-CG2 4.49Å; K682-V793 PolarHBondContact N-O 3.04Å; K682-V793 PolarHBondContact O-N 3.27Å
794	I	93	Very high	92.5	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.077	27%	0.272	C	S	.	.			trans	-115.8	142.7	-177.9	-54.4	-60.3	0	0	0	109.5	N681 L756 V760 A792 R801	N681-I794 HydrophobicContact CB-CD1 4.24Å; L756-I794 HydrophobicContact CD2-CB 3.8Å; L756-I794 HydrophobicContact CD2-CG2 4.25Å; L756-I794 WeakPolarHBondContact CD2-O 3.33Å; L756-I794 HydrophobicContact CG-CB 3.95Å; L756-I794 HydrophobicContact CG-CG2 3.98Å; V760-I794 HydrophobicContact CG1-CG2 3.98Å; V760-I794 HydrophobicContact CG2-CD1 3.92Å; V760-I794 HydrophobicContact CG2-CG1 4.07Å; V760-I794 HydrophobicContact CG2-CG2 4.34Å; A792-I794 HydrophobicContact CB-CD1 4.41Å; A792-I794 HydrophobicContact CB-CG1 4.35Å; I794-R801 HydrophobicContact CG2-CB 4.28Å
795	A	92.8	Very high	92.3	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	28%	0.278	C	S	.	.			trans	-68.1	141.5	176	0	0	0	0	0	111.3	K680 N681 H800 R801	K680-A795 HydrophobicContact CB-CB 3.98Å; N681-A795 PolarHBondContact OD1-N 3.5Å; A795-H800 HydrophobicContact CB-CB 3.66Å; A795-R801 WeakPolarHBondContact O-CD 3.1Å
796	Q	89	Confident	92.1	Very high	134 Å²	134	47.8 Å²	47.8	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-67.6	-38.4	179.3	-71.2	-67.6	-18.5	0	0	112.6	R801	Q796-R801 PolarHBondContact O-NH2 2.83Å
797	E	89.8	Confident	92.1	Very high	119 Å²	119	48.8 Å²	48.8	56%	0.556	28%	0.283	S	S	*	.	S	Bend	trans	-82	126.6	-177.7	-66.5	177.7	-177.7	0	0	111.4	L799 H800	E797-L799 PolarHBondContact O-N 3.26Å; E797-L799 VanDerWaalsContact O-N 3.14Å; E797-H800 PolarHBondContact O-N 3.44Å; E797-H800 IonicContact OE2-CD2 3.28Å; E797-H800 PolarHBondContact OE2-CD2 3.39Å; E797-H800 IonicContact OE2-NE2 3.82Å; E797-H800 PolarHBondContact OE2-NE2 3.23Å
798	P	88	Confident	91.9	Very high	93 Å²	93	51.3 Å²	51.3	60%	0.604	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.2	179.2	-28.1	35.3	0	0	0	115.1	H800 R801 G802	P798-H800 PolarHBondContact O-N 3.18Å; P798-H800 VanDerWaalsContact O-N 3.15Å; P798-R801 WeakPolarHBondContact O-CG 3.43Å; P798-R801 PolarHBondContact O-N 2.81Å; P798-R801 VanDerWaalsContact O-N 3.09Å; P798-G802 PolarHBondContact O-N 2.95Å
799	L	89.1	Confident	91.8	Very high	144 Å²	144	49.8 Å²	49.8	75%	0.754	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-56.7	-32.3	179.3	-174.7	67.6	0	0	0	112.6	E797	E797-L799 PolarHBondContact O-N 3.26Å; E797-L799 VanDerWaalsContact O-N 3.14Å
800	H	88.9	Confident	91.8	Very high	42 Å²	42	49.8 Å²	49.8	19%	0.194	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-89.2	-4.2	-176.2	-65.3	-41.2	0	0	0	114.1	N678 K680 N681 A795 E797 P798	N678-H800 PolarHBondContact ND2-O 3.38Å; K680-H800 HydrophobicContact CB-CB 4.5Å; K680-H800 HydrophobicContact CD-CB 3.78Å; K680-H800 VanDerWaalsContact CD-CG 3.49Å; K680-H800 PolarHBondContact NZ-CD2 3.43Å; K680-H800 PolarHBondContact NZ-CE1 2.95Å; K680-H800 VanDerWaalsContact NZ-CE1 3.3Å; K680-H800 PolarHBondContact NZ-NE2 2.92Å; N681-H800 PolarHBondContact ND2-O 2.73Å; A795-H800 HydrophobicContact CB-CB 3.66Å; E797-H800 PolarHBondContact O-N 3.44Å; E797-H800 IonicContact OE2-CD2 3.28Å; E797-H800 PolarHBondContact OE2-CD2 3.39Å; E797-H800 IonicContact OE2-NE2 3.82Å; E797-H800 PolarHBondContact OE2-NE2 3.23Å; P798-H800 PolarHBondContact O-N 3.18Å; P798-H800 VanDerWaalsContact O-N 3.15Å
801	R	88	Confident	91.9	Very high	42 Å²	42	51 Å²	51	16%	0.158	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-128.3	26	-177.7	60.1	175.6	171.6	-176	-4.8	112.7	S759 V760 I794 A795 Q796 P798 V806	S759-R801 PolarHBondContact OG-NH1 2.99Å; V760-R801 HydrophobicContact CG1-CB 3.86Å; V760-R801 HydrophobicContact CG1-CG 4.18Å; I794-R801 HydrophobicContact CG2-CB 4.28Å; A795-R801 WeakPolarHBondContact O-CD 3.1Å; Q796-R801 PolarHBondContact O-NH2 2.83Å; P798-R801 WeakPolarHBondContact O-CG 3.43Å; P798-R801 PolarHBondContact O-N 2.81Å; P798-R801 VanDerWaalsContact O-N 3.09Å; R801-V806 HydrophobicContact CB-CG2 4.37Å
802	G	89.6	Confident	91.9	Very high	33 Å²	33	51.3 Å²	51.3	34%	0.34	29%	0.293	S	S	.	.			trans	-62.1	156.9	173.8	0	0	0	0	0	112.4	P798 G804 Q805 V806	P798-G802 PolarHBondContact O-N 2.95Å; G802-G804 VanDerWaalsContact C-N 3.31Å; G802-G804 PolarHBondContact O-N 3.45Å; G802-Q805 WeakPolarHBondContact O-CB 3.23Å; G802-Q805 PolarHBondContact O-N 2.73Å; G802-V806 PolarHBondContact O-N 2.74Å
803	G	90.2	Very high	91.9	Very high	27 Å²	27	51 Å²	51	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-52.1	-44.1	-175	0	0	0	0	0	113.8	Q805 V806 I807	G803-Q805 PolarHBondContact O-N 2.84Å; G803-V806 PolarHBondContact O-N 3.49Å; G803-I807 VanDerWaalsContact O-CB 3.31Å; G803-I807 WeakPolarHBondContact O-CB 3.44Å; G803-I807 WeakPolarHBondContact O-CD1 3.43Å; G803-I807 WeakPolarHBondContact O-CG1 3.47Å; G803-I807 PolarHBondContact O-N 3.2Å
804	G	90.9	Very high	92	Very high	66 Å²	66	47.2 Å²	47.2	68%	0.68	27%	0.267	S	S	*	.	H	α-helix	trans	-61.7	-15.9	178.4	0	0	0	0	0	115.4	G802 P808	G802-G804 VanDerWaalsContact C-N 3.31Å; G802-G804 PolarHBondContact O-N 3.45Å; G804-P808 WeakPolarHBondContact O-CD 3.2Å
805	Q	91.4	Very high	92.1	Very high	63 Å²	63	46.6 Å²	46.6	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-92.5	-47.5	172.7	-60.8	-67.1	-51.6	0	0	111	T676 G802 G803 T809	T676-Q805 HydrophobicContact CG2-CB 4.15Å; T676-Q805 WeakPolarHBondContact CG2-O 3.45Å; G802-Q805 WeakPolarHBondContact O-CB 3.23Å; G802-Q805 PolarHBondContact O-N 2.73Å; G803-Q805 PolarHBondContact O-N 2.84Å; Q805-T809 PolarHBondContact O-OG1 2.88Å
806	V	94.7	Very high	92	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-77.2	-40.6	-171.6	178.7	0	0	0	0	112.2	I683 V760 I764 R801 G802 G803 T809 A810	I683-V806 HydrophobicContact CD1-CG1 4.16Å; V760-V806 HydrophobicContact CB-CG1 4.41Å; V760-V806 HydrophobicContact CG1-CG2 4.31Å; I764-V806 HydrophobicContact CG1-CG1 3.84Å; R801-V806 HydrophobicContact CB-CG2 4.37Å; G802-V806 PolarHBondContact O-N 2.74Å; G803-V806 PolarHBondContact O-N 3.49Å; V806-T809 PolarHBondContact O-N 3Å; V806-A810 WeakPolarHBondContact O-CB 3.23Å; V806-A810 PolarHBondContact O-N 3.4Å
807	I	95.3	Very high	92.2	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-52.1	-174.5	-64	163.6	0	0	0	111.7	S763 Q766 W770 G803 T809 A810 R811	S763-I807 WeakPolarHBondContact O-CG1 3.17Å; Q766-I807 HydrophobicContact CB-CD1 4.46Å; Q766-I807 HydrophobicContact CB-CG1 4.33Å; Q766-I807 VanDerWaalsContact OE1-CD1 3.26Å; W770-I807 HydrophobicContact CE3-CG2 3.96Å; W770-I807 HydrophobicContact CZ3-CG2 4.23Å; G803-I807 VanDerWaalsContact O-CB 3.31Å; G803-I807 WeakPolarHBondContact O-CB 3.44Å; G803-I807 WeakPolarHBondContact O-CD1 3.43Å; G803-I807 WeakPolarHBondContact O-CG1 3.47Å; G803-I807 PolarHBondContact O-N 3.2Å; I807-T809 VanDerWaalsContact C-N 3.28Å; I807-T809 PolarHBondContact O-N 3.47Å; I807-A810 PolarHBondContact O-N 3.22Å; I807-R811 PolarHBondContact O-N 3.2Å
808	P	94.4	Very high	92.5	Very high	54 Å²	54	34 Å²	34	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-33.2	178.5	-20	34.2	0	0	0	112.2	G804 R811 R812	G804-P808 WeakPolarHBondContact O-CD 3.2Å; P808-R811 PolarHBondContact O-N 2.96Å; P808-R812 VanDerWaalsContact O-CG 3.29Å; P808-R812 WeakPolarHBondContact O-CG 3.41Å; P808-R812 PolarHBondContact O-N 3.37Å
809	T	93.8	Very high	92.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-41.5	178.1	-53.4	0	0	0	0	111.3	A674 T676 Q805 V806 I807 R812 V813	A674-T809 HydrophobicContact CB-CG2 3.7Å; T676-T809 HydrophobicContact CG2-CG2 4.08Å; T676-T809 WeakPolarHBondContact CG2-OG1 3.21Å; Q805-T809 PolarHBondContact O-OG1 2.88Å; V806-T809 PolarHBondContact O-N 3Å; I807-T809 VanDerWaalsContact C-N 3.28Å; I807-T809 PolarHBondContact O-N 3.47Å; T809-R812 PolarHBondContact O-N 3.41Å; T809-V813 PolarHBondContact O-N 2.91Å
810	A	95.2	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-43.4	173.1	0	0	0	0	0	111.3	I683 I764 V806 I807 R812 V813 V814	I683-A810 HydrophobicContact CD1-CB 4.38Å; I764-A810 HydrophobicContact CG2-CB 4.4Å; V806-A810 WeakPolarHBondContact O-CB 3.23Å; V806-A810 PolarHBondContact O-N 3.4Å; I807-A810 PolarHBondContact O-N 3.22Å; A810-R812 PolarHBondContact O-N 2.98Å; A810-V813 WeakPolarHBondContact O-CG1 2.94Å; A810-V813 PolarHBondContact O-N 3.07Å; A810-V814 VanDerWaalsContact O-CG2 3.28Å; A810-V814 WeakPolarHBondContact O-CG2 3.38Å; A810-V814 PolarHBondContact O-N 3.35Å; A810-V814 VanDerWaalsContact O-N 3.1Å
811	R	95.2	Very high	92.7	Very high	52 Å²	52	22.3 Å²	22.3	20%	0.196	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-46.1	173.6	176.9	175.4	172.6	-159.8	-7.3	112.1	W770 E774 I807 P808 V814 Y815	W770-R811 VanDerWaalsContact CE2-NH1 3.31Å; W770-R811 HydrophobicContact CE3-CB 4.49Å; E774-R811 IonicContact OE2-CZ 3.32Å; E774-R811 IonicContact OE2-NE 4Å; E774-R811 IonicContact OE2-NH1 2.84Å; E774-R811 PolarHBondContact OE2-NH1 3.42Å; E774-R811 IonicContact OE2-NH2 2.9Å; E774-R811 PolarHBondContact OE2-NH2 3.32Å; I807-R811 PolarHBondContact O-N 3.2Å; P808-R811 PolarHBondContact O-N 2.96Å; R811-V814 WeakPolarHBondContact O-CB 3.01Å; R811-V814 PolarHBondContact O-N 2.95Å; R811-Y815 HydrophobicContact CG-CD2 4.28Å; R811-Y815 HydrophobicContact CG-CE2 3.76Å; R811-Y815 VanDerWaalsContact NE-CE2 3.28Å; R811-Y815 PolarHBondContact NE-OH 3.48Å; R811-Y815 PolarHBondContact NH2-OH 2.98Å; R811-Y815 PolarHBondContact O-N 3.45Å; R811-Y815 VanDerWaalsContact O-N 3.13Å
812	R	92.8	Very high	92.8	Very high	61 Å²	61	22.4 Å²	22.4	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-42.7	179	-73.3	175.6	64.4	-145.1	-4.7	113	A674 P808 T809 A810 V814 Y815 S816 F950 D952	A674-R812 HydrophobicContact CB-CB 4.37Å; P808-R812 VanDerWaalsContact O-CG 3.29Å; P808-R812 WeakPolarHBondContact O-CG 3.41Å; P808-R812 PolarHBondContact O-N 3.37Å; T809-R812 PolarHBondContact O-N 3.41Å; A810-R812 PolarHBondContact O-N 2.98Å; R812-V814 VanDerWaalsContact C-N 3.32Å; R812-V814 PolarHBondContact O-N 3.22Å; R812-Y815 PolarHBondContact O-N 3.48Å; R812-S816 PolarHBondContact O-N 3.32Å; R812-S816 PolarHBondContact O-OG 3.36Å; R812-F950 PolarHBondContact NH2-O 3.17Å; R812-F950 VanDerWaalsContact NH2-O 3.16Å; R812-D952 IonicContact CZ-OD1 3.01Å; R812-D952 IonicContact NH1-OD1 3.34Å; R812-D952 PolarHBondContact NH1-OD1 3.13Å; R812-D952 IonicContact NH1-OD2 2.87Å; R812-D952 VanDerWaalsContact NH2-CG 3.34Å; R812-D952 IonicContact NH2-OD1 2.69Å; R812-D952 PolarHBondContact NH2-OD1 3.46Å; R812-D952 IonicContact NH2-OD2 2.8Å
813	V	94.1	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-32.8	178.4	67.8	0	0	0	0	112.2	C672 A674 I683 M685 T809 A810 S816 A817	C672-V813 WeakPolarHBondContact O-CG2 3.46Å; A674-V813 HydrophobicContact CB-CB 3.82Å; I683-V813 HydrophobicContact CB-CG1 4.31Å; I683-V813 HydrophobicContact CG2-CG1 4.02Å; M685-V813 HydrophobicContact CB-CG2 3.91Å; M685-V813 HydrophobicContact CE-CG1 3.83Å; M685-V813 HydrophobicContact CG-CG1 4.08Å; M685-V813 HydrophobicContact CG-CG2 3.94Å; M685-V813 HydrophobicContact SD-CG1 3.76Å; T809-V813 PolarHBondContact O-N 2.91Å; A810-V813 WeakPolarHBondContact O-CG1 2.94Å; A810-V813 PolarHBondContact O-N 3.07Å; V813-S816 WeakPolarHBondContact CA-OG 2.99Å; V813-S816 PolarHBondContact O-OG 3.29Å; V813-A817 WeakPolarHBondContact O-CB 3.46Å; V813-A817 PolarHBondContact O-N 2.94Å
814	V	95.5	Very high	93.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-45.8	171.8	165.8	0	0	0	0	110.3	M685 F768 T772 I782 F787 A810 R811 R812 F818	M685-V814 HydrophobicContact CE-CG2 4.4Å; M685-V814 HydrophobicContact SD-CG2 3.86Å; F768-V814 HydrophobicContact CB-CG2 4.41Å; F768-V814 HydrophobicContact CD2-CG2 3.98Å; T772-V814 HydrophobicContact CG2-CG1 4.41Å; I782-V814 HydrophobicContact CD1-CG1 4.48Å; F787-V814 HydrophobicContact CD1-CG1 4.31Å; F787-V814 HydrophobicContact CD1-CG2 4.4Å; F787-V814 HydrophobicContact CE1-CB 4.3Å; F787-V814 HydrophobicContact CE1-CG1 3.7Å; F787-V814 WeakPolarHBondContact CE1-O 3.26Å; F787-V814 HydrophobicContact CE2-CG1 4.37Å; F787-V814 HydrophobicContact CZ-CG1 3.71Å; A810-V814 VanDerWaalsContact O-CG2 3.28Å; A810-V814 WeakPolarHBondContact O-CG2 3.38Å; A810-V814 PolarHBondContact O-N 3.35Å; A810-V814 VanDerWaalsContact O-N 3.1Å; R811-V814 WeakPolarHBondContact O-CB 3.01Å; R811-V814 PolarHBondContact O-N 2.95Å; R812-V814 VanDerWaalsContact C-N 3.32Å; R812-V814 PolarHBondContact O-N 3.22Å; V814-F818 VanDerWaalsContact O-CB 3.27Å; V814-F818 WeakPolarHBondContact O-CB 3.34Å; V814-F818 PolarHBondContact O-N 3.13Å
815	Y	94.7	Very high	93.7	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-44.7	177	-66.4	-21.1	0	0	0	113.8	G771 E774 P776 R811 R812 F818 L819 F950	G771-Y815 VanDerWaalsContact O-CE1 3.23Å; G771-Y815 WeakPolarHBondContact O-CE1 3.08Å; E774-Y815 WeakPolarHBondContact CB-OH 3.33Å; P776-Y815 HydrophobicContact CB-CD1 3.76Å; P776-Y815 HydrophobicContact CB-CD2 4.44Å; P776-Y815 HydrophobicContact CB-CE1 4.25Å; P776-Y815 HydrophobicContact CB-CG 3.84Å; P776-Y815 HydrophobicContact CG-CD1 3.87Å; P776-Y815 HydrophobicContact CG-CE1 4.46Å; P776-Y815 HydrophobicContact CG-CG 4.33Å; R811-Y815 HydrophobicContact CG-CD2 4.28Å; R811-Y815 HydrophobicContact CG-CE2 3.76Å; R811-Y815 VanDerWaalsContact NE-CE2 3.28Å; R811-Y815 PolarHBondContact NE-OH 3.48Å; R811-Y815 PolarHBondContact NH2-OH 2.98Å; R811-Y815 PolarHBondContact O-N 3.45Å; R811-Y815 VanDerWaalsContact O-N 3.13Å; R812-Y815 PolarHBondContact O-N 3.48Å; Y815-F818 PolarHBondContact O-N 3.26Å; Y815-L819 WeakPolarHBondContact O-CB 3.19Å; Y815-L819 VanDerWaalsContact O-CG 3.3Å; Y815-L819 WeakPolarHBondContact O-CG 3.5Å; Y815-L819 PolarHBondContact O-N 2.98Å; Y815-F950 AromaticContact CD2-CD1 3.66Å; Y815-F950 HydrophobicContact CD2-CD1 3.66Å; Y815-F950 AromaticContact CD2-CE1 3.5Å; Y815-F950 HydrophobicContact CD2-CE1 3.5Å; Y815-F950 VanDerWaalsContact CD2-CE1 3.5Å; Y815-F950 HydrophobicContact CD2-CG 4.44Å; Y815-F950 HydrophobicContact CD2-CZ 4.15Å; Y815-F950 HydrophobicContact CE2-CE1 4.01Å; Y815-F950 HydrophobicContact CG-CD1 4.41Å; Y815-F950 HydrophobicContact CG-CE1 4.43Å
816	S	91.9	Very high	93.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-41.5	179.2	60	0	0	0	0	111.8	C672 R812 V813 F818 L819 M820	C672-S816 WeakPolarHBondContact CB-OG 3.47Å; C672-S816 PolarHBondContact SG-O 2.84Å; R812-S816 PolarHBondContact O-N 3.32Å; R812-S816 PolarHBondContact O-OG 3.36Å; V813-S816 WeakPolarHBondContact CA-OG 2.99Å; V813-S816 PolarHBondContact O-OG 3.29Å; S816-F818 PolarHBondContact O-N 2.99Å; S816-L819 PolarHBondContact O-N 3.19Å; S816-M820 WeakPolarHBondContact O-CG 3.43Å; S816-M820 PolarHBondContact O-N 3.05Å
817	A	93.6	Very high	94	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-42.6	174.1	0	0	0	0	0	112.2	C672 M685 A687 F787 V813	C672-A817 HydrophobicContact CB-CB 4.2Å; M685-A817 HydrophobicContact CB-CB 4.21Å; A687-A817 HydrophobicContact CB-CB 4.21Å; F787-A817 HydrophobicContact CD1-CB 4.48Å; F787-A817 HydrophobicContact CE1-CB 4.48Å; V813-A817 WeakPolarHBondContact O-CB 3.46Å; V813-A817 PolarHBondContact O-N 2.94Å
818	F	95.1	Very high	94.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-46.9	178.2	-179.3	-88.3	0	0	0	112.5	E662 T663 V664 P776 L777 I782 V785 F787 V814 Y815 S816 M820 A821 P823	E662-F818 HydrophobicContact CB-CE1 4.2Å; E662-F818 HydrophobicContact CB-CE2 4.32Å; E662-F818 HydrophobicContact CB-CZ 3.6Å; T663-F818 WeakPolarHBondContact O-CZ 3.31Å; V664-F818 HydrophobicContact CG1-CD2 3.51Å; V664-F818 HydrophobicContact CG1-CE2 3.51Å; V664-F818 HydrophobicContact CG1-CG 4.2Å; V664-F818 HydrophobicContact CG1-CZ 4.17Å; P776-F818 HydrophobicContact CG-CB 4.41Å; P776-F818 HydrophobicContact CG-CD1 3.37Å; P776-F818 HydrophobicContact CG-CE1 3.92Å; P776-F818 HydrophobicContact CG-CG 4.13Å; L777-F818 HydrophobicContact CD1-CE1 4.23Å; L777-F818 HydrophobicContact CG-CE1 4.07Å; I782-F818 HydrophobicContact CD1-CD2 3.99Å; I782-F818 HydrophobicContact CD1-CE2 4.35Å; I782-F818 HydrophobicContact CD1-CG 4.3Å; I782-F818 HydrophobicContact CG1-CE2 4.41Å; I782-F818 HydrophobicContact CG2-CD2 4.06Å; I782-F818 HydrophobicContact CG2-CE2 3.82Å; V785-F818 HydrophobicContact CG1-CD2 4.48Å; V785-F818 HydrophobicContact CG2-CD2 4.22Å; V785-F818 HydrophobicContact CG2-CE2 3.95Å; F787-F818 HydrophobicContact CE1-CB 4.3Å; F787-F818 HydrophobicContact CZ-CB 4.37Å; F787-F818 HydrophobicContact CZ-CD2 4.35Å; V814-F818 VanDerWaalsContact O-CB 3.27Å; V814-F818 WeakPolarHBondContact O-CB 3.34Å; V814-F818 PolarHBondContact O-N 3.13Å; Y815-F818 PolarHBondContact O-N 3.26Å; S816-F818 PolarHBondContact O-N 2.99Å; F818-M820 PolarHBondContact O-N 3.02Å; F818-A821 PolarHBondContact O-N 3.31Å; F818-A821 VanDerWaalsContact O-N 3.08Å; F818-P823 HydrophobicContact CD1-CB 4.01Å; F818-P823 HydrophobicContact CE1-CB 3.39Å; F818-P823 HydrophobicContact CZ-CB 3.9Å
819	L	91.6	Very high	94.2	Very high	16 Å²	16	13.3 Å²	13.3	8%	0.084	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-25.2	-178.7	-70.9	172.1	0	0	0	113.1	P776 L777 Y815 S816 P823 V945 F950	P776-L819 HydrophobicContact CB-CD1 4.28Å; P776-L819 HydrophobicContact CB-CD2 4.25Å; P776-L819 HydrophobicContact CB-CG 4.21Å; P776-L819 HydrophobicContact CG-CD2 4.12Å; P776-L819 HydrophobicContact CG-CG 4.13Å; L777-L819 HydrophobicContact CD2-CD2 3.95Å; Y815-L819 WeakPolarHBondContact O-CB 3.19Å; Y815-L819 VanDerWaalsContact O-CG 3.3Å; Y815-L819 WeakPolarHBondContact O-CG 3.5Å; Y815-L819 PolarHBondContact O-N 2.98Å; S816-L819 PolarHBondContact O-N 3.19Å; L819-P823 HydrophobicContact CD2-CG 4.44Å; L819-V945 HydrophobicContact CD1-CG1 4.01Å; L819-V945 HydrophobicContact CD2-CG1 3.98Å; L819-F950 HydrophobicContact CD1-CD2 3.66Å; L819-F950 HydrophobicContact CD1-CE2 4.14Å
820	M	89.9	Confident	94.4	Very high	17 Å²	17	13.3 Å²	13.3	8%	0.084	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.1	176.4	-71.3	-65.6	165.3	0	0	114.2	S668 S669 S816 F818 I947 F951 L959	S668-M820 WeakPolarHBondContact CA-O 3.4Å; S669-M820 PolarHBondContact N-O 2.63Å; S816-M820 WeakPolarHBondContact O-CG 3.43Å; S816-M820 PolarHBondContact O-N 3.05Å; F818-M820 PolarHBondContact O-N 3.02Å; M820-I947 HydrophobicContact CE-CG2 4.15Å; M820-F951 HydrophobicContact CE-CD1 4.45Å; M820-F951 HydrophobicContact CE-CE1 3.39Å; M820-F951 HydrophobicContact CE-CE2 4.32Å; M820-F951 HydrophobicContact CE-CZ 3.31Å; M820-F951 HydrophobicContact CG-CE1 4.13Å; M820-F951 HydrophobicContact CG-CZ 3.85Å; M820-F951 HydrophobicContact SD-CZ 4.42Å; M820-L959 HydrophobicContact CE-CD1 3.78Å; M820-L959 HydrophobicContact CE-CD2 3.62Å; M820-L959 HydrophobicContact CE-CG 4.39Å; M820-L959 HydrophobicContact SD-CD2 4.28Å
821	A	88.1	Confident	94.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-101.7	33.9	-175	0	0	0	0	0	113.3	V664 E666 A687 F818	V664-A821 HydrophobicContact CB-CB 3.93Å; V664-A821 VanDerWaalsContact CB-O 3.29Å; V664-A821 WeakPolarHBondContact CB-O 3.4Å; V664-A821 HydrophobicContact CG1-CB 3.62Å; E666-A821 WeakPolarHBondContact O-CB 3.34Å; E666-A821 VanDerWaalsContact O-O 3.1Å; A687-A821 HydrophobicContact CB-CB 3.92Å; F818-A821 PolarHBondContact O-N 3.31Å; F818-A821 VanDerWaalsContact O-N 3.08Å
822	T	91.9	Very high	94.6	Very high	45 Å²	45	12 Å²	12	28%	0.276	6%	0.055	S	C	.	.			trans	50.2	71.7	-179.5	-51.2	0	0	0	0	111.7	V665	V665-T822 HydrophobicContact CG2-CG2 3.67Å; V665-T822 WeakPolarHBondContact CG2-O 3.45Å
823	P	94.6	Very high	94.8	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.026	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.8	-172.6	31	-37.7	0	0	0	112.4	T663 L777 F818 L819 L910	T663-P823 CarbonylContact O-C 2.73Å; T663-P823 WeakPolarHBondContact O-CA 3.44Å; L777-P823 HydrophobicContact CD1-CB 4.15Å; L777-P823 HydrophobicContact CD2-CB 4.16Å; L777-P823 HydrophobicContact CD2-CG 4.16Å; L777-P823 HydrophobicContact CG-CB 4.48Å; F818-P823 HydrophobicContact CD1-CB 4.01Å; F818-P823 HydrophobicContact CE1-CB 3.39Å; F818-P823 HydrophobicContact CZ-CB 3.9Å; L819-P823 HydrophobicContact CD2-CG 4.44Å; P823-L910 HydrophobicContact CG-CD1 3.45Å; P823-L910 VanDerWaalsContact CG-CD1 3.45Å; P823-L910 HydrophobicContact CG-CG 4.19Å
824	R	96.3	Very high	95	Very high	44 Å²	44	9.5 Å²	9.5	17%	0.166	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.4	179.9	-67.1	-67.1	175.6	-111.2	16.5	110.2	T663 V665 I904 G907 D908	T663-R824 HydrophobicContact CG2-CB 4.03Å; T663-R824 PolarHBondContact N-O 3.46Å; T663-R824 PolarHBondContact O-N 2.82Å; V665-R824 HydrophobicContact CG1-CB 4.47Å; V665-R824 HydrophobicContact CG1-CG 3.74Å; V665-R824 HydrophobicContact CG2-CG 4.24Å; R824-I904 HydrophobicContact CB-CG2 4.01Å; R824-I904 HydrophobicContact CG-CG2 4.26Å; R824-G907 WeakPolarHBondContact CD-O 3.36Å; R824-D908 IonicContact CZ-OD1 3.98Å; R824-D908 IonicContact CZ-OD2 3.42Å; R824-D908 VanDerWaalsContact CZ-OD2 3.32Å; R824-D908 IonicContact NH1-OD1 2.98Å; R824-D908 PolarHBondContact NH1-OD1 3.1Å; R824-D908 IonicContact NH1-OD2 3Å; R824-D908 PolarHBondContact NH1-OD2 3.29Å; R824-D908 IonicContact NH2-OD2 3.31Å; R824-D908 PolarHBondContact NH2-OD2 3.1Å
825	L	96.9	Very high	95.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.8	168.5	-70.2	179.9	0	0	0	110.3	C661 E662 L777 I904 V905 P909 A928 F931 M932	C661-L825 CarbonylContact O-C 3.49Å; E662-L825 HydrophobicContact CG-CD2 4.18Å; L777-L825 HydrophobicContact CB-CD2 4.47Å; L777-L825 HydrophobicContact CD1-CD2 3.84Å; L777-L825 HydrophobicContact CD1-CG 4.34Å; L825-I904 WeakPolarHBondContact O-CA 3.32Å; L825-V905 HydrophobicContact CB-CB 4.39Å; L825-V905 HydrophobicContact CB-CG2 4.03Å; L825-V905 PolarHBondContact O-N 2.84Å; L825-P909 HydrophobicContact CD1-CB 4.45Å; L825-P909 HydrophobicContact CG-CB 4.27Å; L825-A928 WeakPolarHBondContact CD1-O 3.31Å; L825-F931 HydrophobicContact CD1-CB 4.13Å; L825-M932 HydrophobicContact CD1-CB 3.88Å
826	M	96.7	Very high	95.1	Very high	17 Å²	17	10.4 Å²	10.4	8%	0.084	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	168.2	-55.1	-172.1	79.1	0	0	109.3	F660 C661 T663 R783 W902 Q903 I904	F660-M826 WeakPolarHBondContact CA-O 3.41Å; C661-M826 HydrophobicContact CB-CB 4.17Å; C661-M826 PolarHBondContact N-O 3.27Å; C661-M826 PolarHBondContact O-N 3.05Å; T663-M826 HydrophobicContact CG2-CG 3.5Å; T663-M826 VanDerWaalsContact CG2-CG 3.5Å; T663-M826 HydrophobicContact CG2-SD 3.8Å; R783-M826 HydrophobicContact CB-SD 4.18Å; R783-M826 HydrophobicContact CG-SD 4.18Å; M826-W902 HydrophobicContact CB-CB 4.19Å; M826-W902 HydrophobicContact CB-CE3 4.36Å; M826-W902 HydrophobicContact CE-CB 3.61Å; M826-W902 WeakPolarHBondContact CE-O 3.12Å; M826-W902 HydrophobicContact SD-CB 4.2Å; M826-Q903 CarbonylContact C-O 3.45Å; M826-Q903 WeakPolarHBondContact CA-O 3.27Å; M826-I904 HydrophobicContact CG-CG1 4.4Å
827	E	96.4	Very high	95.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.5	170.8	64.1	-174.9	173.2	0	0	110.1	F660 Y829 R852 Q903 V905	F660-E827 HydrophobicContact CD1-CB 4.25Å; F660-E827 HydrophobicContact CE1-CB 4.13Å; E827-Y829 HydrophobicContact CG-CD2 3.95Å; E827-Y829 HydrophobicContact CG-CE2 3.41Å; E827-Y829 VanDerWaalsContact CG-CE2 3.41Å; E827-Y829 WeakPolarHBondContact OE1-CE2 3.42Å; E827-Y829 VanDerWaalsContact OE1-CZ 3.32Å; E827-Y829 PolarHBondContact OE1-OH 2.83Å; E827-R852 IonicContact OE1-CZ 3.6Å; E827-R852 IonicContact OE1-NH1 3.51Å; E827-R852 PolarHBondContact OE1-NH1 2.87Å; E827-R852 IonicContact OE1-NH2 2.95Å; E827-R852 IonicContact OE2-CZ 3.83Å; E827-R852 IonicContact OE2-NH1 3.89Å; E827-R852 PolarHBondContact OE2-NH1 2.81Å; E827-R852 IonicContact OE2-NH2 3.43Å; E827-R852 PolarHBondContact OE2-NH2 3.01Å; E827-Q903 PolarHBondContact N-O 3.04Å; E827-Q903 PolarHBondContact O-N 3.08Å; E827-V905 HydrophobicContact CB-CG2 3.68Å; E827-V905 HydrophobicContact CG-CG2 3.87Å
828	P	96.9	Very high	95.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.6	174.4	24.4	-21.5	0	0	0	110.2	V585 V658 T659 A875 F899 W902	V585-P828 HydrophobicContact CB-CB 4.11Å; V585-P828 HydrophobicContact CB-CG 4.1Å; V585-P828 HydrophobicContact CG1-CB 4.04Å; V585-P828 HydrophobicContact CG1-CG 4.47Å; V585-P828 HydrophobicContact CG2-CB 4.34Å; V585-P828 HydrophobicContact CG2-CG 4.49Å; V658-P828 HydrophobicContact CB-CG 3.77Å; V658-P828 HydrophobicContact CG1-CG 4.22Å; V658-P828 HydrophobicContact CG2-CG 4.06Å; T659-P828 WeakPolarHBondContact O-CD 3.19Å; T659-P828 WeakPolarHBondContact O-CG 3.44Å; P828-A875 HydrophobicContact CB-CB 4.32Å; P828-A875 HydrophobicContact CG-CB 4.04Å; P828-A875 WeakPolarHBondContact O-CB 3.24Å; P828-A875 PolarHBondContact O-N 2.99Å; P828-F899 HydrophobicContact CB-CD2 3.99Å; P828-F899 HydrophobicContact CB-CE2 3.73Å; P828-W902 HydrophobicContact CB-CD2 4.46Å; P828-W902 HydrophobicContact CB-CE3 3.92Å; P828-W902 HydrophobicContact CB-CH2 3.96Å; P828-W902 HydrophobicContact CB-CZ2 4.5Å; P828-W902 HydrophobicContact CB-CZ3 3.66Å; P828-W902 HydrophobicContact CG-CE3 4.38Å; P828-W902 HydrophobicContact CG-CH2 4.14Å; P828-W902 HydrophobicContact CG-CZ3 3.75Å
829	Y	97.1	Very high	95.3	Very high	17 Å²	17	19.9 Å²	19.9	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.2	173.6	-86.9	-109	0	0	0	110.9	E827 F872 I873 P874 H900 H901 Q903	E827-Y829 HydrophobicContact CG-CD2 3.95Å; E827-Y829 HydrophobicContact CG-CE2 3.41Å; E827-Y829 VanDerWaalsContact CG-CE2 3.41Å; E827-Y829 WeakPolarHBondContact OE1-CE2 3.42Å; E827-Y829 VanDerWaalsContact OE1-CZ 3.32Å; E827-Y829 PolarHBondContact OE1-OH 2.83Å; Y829-F872 HydrophobicContact CD1-CB 4.13Å; Y829-I873 CarbonylContact C-O 3.6Å; Y829-I873 WeakPolarHBondContact CA-O 3.48Å; Y829-P874 HydrophobicContact CD1-CG 4.42Å; Y829-P874 HydrophobicContact CE1-CB 4.33Å; Y829-P874 HydrophobicContact CE1-CG 3.7Å; Y829-P874 HydrophobicContact CE2-CB 4.39Å; Y829-P874 HydrophobicContact CE2-CG 4.38Å; Y829-H900 PolarHBondContact O-N 2.93Å; Y829-H900 VanDerWaalsContact O-N 3.08Å; Y829-H901 PolarHBondContact N-O 3.04Å; Y829-H901 PolarHBondContact O-N 3.42Å; Y829-Q903 HydrophobicContact CD2-CB 3.59Å; Y829-Q903 HydrophobicContact CE2-CB 3.52Å; Y829-Q903 HydrophobicContact CE2-CG 4.07Å; Y829-Q903 HydrophobicContact CG-CB 4.47Å
830	Y	97.6	Very high	95.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.7	169.8	-76.8	-4.5	0	0	0	110.8	V585 I586 T630 F872 I873 A875 V898 F899	V585-Y830 HydrophobicContact CG2-CE1 3.44Å; V585-Y830 VanDerWaalsContact CG2-CE1 3.44Å; V585-Y830 WeakPolarHBondContact CG2-OH 3.21Å; I586-Y830 HydrophobicContact CD1-CE2 4.22Å; I586-Y830 WeakPolarHBondContact CD1-OH 3.37Å; I586-Y830 WeakPolarHBondContact CG1-OH 2.94Å; T630-Y830 PolarHBondContact O-OH 3.31Å; Y830-F872 WeakPolarHBondContact O-CA 3.45Å; Y830-I873 PolarHBondContact N-O 3.2Å; Y830-I873 PolarHBondContact O-N 3.2Å; Y830-A875 HydrophobicContact CD1-CB 3.93Å; Y830-A875 HydrophobicContact CD2-CB 4.19Å; Y830-A875 HydrophobicContact CE1-CB 3.96Å; Y830-A875 HydrophobicContact CE2-CB 4.12Å; Y830-A875 HydrophobicContact CG-CB 4.11Å; Y830-V898 CarbonylContact C-O 3.55Å; Y830-V898 VanDerWaalsContact CA-O 3.22Å; Y830-V898 WeakPolarHBondContact CA-O 3.28Å; Y830-F899 HydrophobicContact CD1-CB 4.21Å; Y830-F899 HydrophobicContact CE1-CB 3.93Å
831	F	97.9	Very high	95.8	Very high	24 Å²	24	19.6 Å²	19.6	11%	0.105	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.3	159.3	179.9	-95.6	0	0	0	108.5	L235 E833 K870 F872 S897 V898 H900	L235-F831 HydrophobicContact CD1-CD1 3.52Å; L235-F831 HydrophobicContact CD1-CE1 3.59Å; L235-F831 HydrophobicContact CD2-CD1 4.23Å; L235-F831 HydrophobicContact CG-CD1 4.48Å; F831-E833 HydrophobicContact CE1-CB 4.11Å; F831-K870 HydrophobicContact CE1-CG 4.49Å; F831-K870 HydrophobicContact CE2-CB 3.84Å; F831-K870 HydrophobicContact CE2-CD 4.42Å; F831-K870 HydrophobicContact CE2-CG 4.3Å; F831-K870 HydrophobicContact CZ-CB 3.67Å; F831-K870 HydrophobicContact CZ-CD 3.72Å; F831-K870 HydrophobicContact CZ-CG 3.62Å; F831-F872 HydrophobicContact CB-CD1 4.2Å; F831-F872 HydrophobicContact CB-CE1 3.94Å; F831-F872 HydrophobicContact CD2-CD1 4.12Å; F831-F872 AromaticContact CD2-CE1 3.6Å; F831-F872 HydrophobicContact CD2-CE1 3.6Å; F831-F872 HydrophobicContact CD2-CZ 4.05Å; F831-F872 HydrophobicContact CG-CE1 4.27Å; F831-S897 WeakPolarHBondContact O-CA 3.48Å; F831-V898 HydrophobicContact CB-CG1 4.29Å; F831-V898 HydrophobicContact CD1-CG1 4.49Å; F831-V898 PolarHBondContact N-O 3.22Å; F831-V898 PolarHBondContact O-N 2.91Å; F831-H900 HydrophobicContact CB-CB 3.77Å
832	V	97.3	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.7	-179.2	-177.8	0	0	0	0	108.6	V834 K870 A871 I873 F881 L896	V832-V834 HydrophobicContact CG1-CG2 3.75Å; V832-K870 CarbonylContact O-C 3.56Å; V832-K870 WeakPolarHBondContact O-CA 3.38Å; V832-A871 PolarHBondContact N-O 3.29Å; V832-A871 PolarHBondContact O-N 3.05Å; V832-I873 HydrophobicContact CG2-CB 4.24Å; V832-I873 HydrophobicContact CG2-CG2 3.4Å; V832-F881 HydrophobicContact CG1-CD1 4.41Å; V832-F881 HydrophobicContact CG1-CE1 3.61Å; V832-F881 HydrophobicContact CG1-CZ 4.27Å; V832-L896 WeakPolarHBondContact CA-O 3.48Å
833	E	97.8	Very high	96.3	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117	169.2	-168.9	168.3	123.1	0	0	108.9	M234 L235 F831 T868 K870 S895 L896	M234-E833 WeakPolarHBondContact CA-OE1 3.26Å; M234-E833 VanDerWaalsContact SD-OE1 3.41Å; L235-E833 WeakPolarHBondContact CA-OE2 3.34Å; L235-E833 HydrophobicContact CB-CB 3.9Å; L235-E833 HydrophobicContact CB-CG 4.37Å; L235-E833 WeakPolarHBondContact CB-OE2 3.48Å; L235-E833 HydrophobicContact CD2-CB 4.04Å; L235-E833 HydrophobicContact CG-CB 4.49Å; L235-E833 VanDerWaalsContact N-CD 3.33Å; L235-E833 PolarHBondContact N-OE1 3.47Å; L235-E833 PolarHBondContact N-OE2 2.97Å; F831-E833 HydrophobicContact CE1-CB 4.11Å; E833-T868 HydrophobicContact CG-CG2 3.51Å; E833-K870 HydrophobicContact CG-CG 4.46Å; E833-K870 WeakPolarHBondContact OE2-CE 3.18Å; E833-S895 WeakPolarHBondContact O-CA 3.25Å; E833-L896 PolarHBondContact N-O 3.5Å; E833-L896 PolarHBondContact O-N 2.82Å
834	V	97.6	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.9	178.1	-175.3	0	0	0	0	109.3	V832 A836 V844 T868 I869 L885 A893 F894	V832-V834 HydrophobicContact CG1-CG2 3.75Å; V834-A836 HydrophobicContact CG1-CB 4.3Å; V834-V844 HydrophobicContact CB-CG1 4.17Å; V834-V844 HydrophobicContact CG1-CG1 4.03Å; V834-V844 HydrophobicContact CG1-CG2 3.96Å; V834-V844 HydrophobicContact CG2-CG1 3.94Å; V834-T868 CarbonylContact O-C 3.48Å; V834-T868 WeakPolarHBondContact O-CA 3.43Å; V834-I869 HydrophobicContact CB-CB 4.24Å; V834-I869 PolarHBondContact N-O 3.04Å; V834-I869 PolarHBondContact O-N 3.5Å; V834-L885 HydrophobicContact CB-CD2 4.5Å; V834-L885 HydrophobicContact CG1-CD2 3.71Å; V834-L885 HydrophobicContact CG2-CD2 3.97Å; V834-A893 HydrophobicContact CG1-CB 4.15Å; V834-F894 CarbonylContact C-O 3.58Å; V834-F894 VanDerWaalsContact CA-O 3.3Å; V834-F894 WeakPolarHBondContact CA-O 3.23Å
835	Q	96.6	Very high	96.4	Very high	22 Å²	22	24.5 Å²	24.5	10%	0.103	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.3	164.3	-63.2	-177.8	19	0	0	108.6	E231 M234 Y867 A893 F894	E231-Q835 PolarHBondContact OE2-NE2 2.95Å; E231-Q835 VanDerWaalsContact OE2-NE2 3.09Å; E231-Q835 PolarHBondContact OE2-OE1 2.98Å; M234-Q835 HydrophobicContact CE-CG 4.38Å; M234-Q835 VanDerWaalsContact CE-NE2 3.27Å; M234-Q835 HydrophobicContact SD-CG 4.3Å; M234-Q835 PolarHBondContact SD-NE2 2.94Å; Q835-Y867 WeakPolarHBondContact CA-O 3.23Å; Q835-A893 CarbonylContact O-C 3.57Å; Q835-A893 VanDerWaalsContact O-CA 3.3Å; Q835-A893 WeakPolarHBondContact O-CA 3.4Å; Q835-F894 PolarHBondContact N-O 3.14Å; Q835-F894 PolarHBondContact O-N 2.86Å
836	A	96.3	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.3	179.7	0	0	0	0	0	111	V834 C840 V844 Y867 A893	V834-A836 HydrophobicContact CG1-CB 4.3Å; A836-C840 HydrophobicContact CB-CB 4.14Å; A836-V844 HydrophobicContact CB-CG2 4.05Å; A836-Y867 PolarHBondContact N-O 3.36Å; A836-Y867 PolarHBondContact O-N 3.02Å; A836-A893 HydrophobicContact CB-CB 3.75Å
837	P	95.9	Very high	96.3	Very high	29 Å²	29	27 Å²	27	19%	0.188	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	161.7	166.4	-1.4	15.3	0	0	0	111	D839 C840 V841 L866 Q892	P837-D839 WeakPolarHBondContact CB-OD1 3.41Å; P837-D839 PolarHBondContact O-N 3.4Å; P837-D839 VanDerWaalsContact O-N 3.15Å; P837-C840 PolarHBondContact O-N 3.02Å; P837-V841 PolarHBondContact O-N 2.56Å; P837-L866 HydrophobicContact CB-CD2 4.11Å; P837-L866 HydrophobicContact CG-CD2 4.05Å; P837-Q892 HydrophobicContact CG-CB 4.01Å
838	A	94	Very high	96.3	Very high	61 Å²	61	27 Å²	27	50%	0.504	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.3	-171.3	0	0	0	0	0	114.7	Y867	A838-Y867 HydrophobicContact CB-CD2 4Å; A838-Y867 HydrophobicContact CB-CE2 3.63Å
839	D	95.1	Very high	96.2	Very high	109 Å²	109	30.5 Å²	30.5	58%	0.583	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.3	178.3	57.8	-14.5	0	0	0	113	P837	P837-D839 WeakPolarHBondContact CB-OD1 3.41Å; P837-D839 PolarHBondContact O-N 3.4Å; P837-D839 VanDerWaalsContact O-N 3.15Å
840	C	96.1	Very high	96.1	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.068	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-15	-179.3	-71.8	0	0	0	0	113.4	A836 P837 S842 A843 V844 T889 Q892	A836-C840 HydrophobicContact CB-CB 4.14Å; P837-C840 PolarHBondContact O-N 3.02Å; C840-S842 VanDerWaalsContact C-N 3.32Å; C840-S842 PolarHBondContact O-N 3Å; C840-A843 WeakPolarHBondContact O-CA 3.45Å; C840-A843 VanDerWaalsContact O-CB 3.31Å; C840-A843 WeakPolarHBondContact O-CB 3.29Å; C840-A843 PolarHBondContact O-N 3.25Å; C840-V844 WeakPolarHBondContact O-CG2 3.43Å; C840-V844 PolarHBondContact O-N 3.36Å; C840-V844 VanDerWaalsContact O-N 3.11Å; C840-T889 HydrophobicContact CB-CG2 3.97Å; C840-Q892 PolarHBondContact SG-OE1 3.46Å
841	V	94.6	Very high	96	Very high	18 Å²	18	40.7 Å²	40.7	11%	0.109	23%	0.225	C	C	.	.	H	α-helix	trans	-51.5	-48.7	-176.8	176	0	0	0	0	111.5	P837 A843 V844 Y845 D858 Y867 I869	P837-V841 PolarHBondContact O-N 2.56Å; V841-A843 VanDerWaalsContact C-N 3.26Å; V841-A843 PolarHBondContact O-N 2.94Å; V841-V844 WeakPolarHBondContact O-CB 3.26Å; V841-V844 PolarHBondContact O-N 3.21Å; V841-Y845 HydrophobicContact CG1-CD2 4.01Å; V841-Y845 HydrophobicContact CG1-CE2 3.7Å; V841-Y845 WeakPolarHBondContact O-CD2 3.37Å; V841-Y845 PolarHBondContact O-N 2.73Å; V841-D858 WeakPolarHBondContact CG1-OD2 3.28Å; V841-Y867 HydrophobicContact CG2-CD1 4.47Å; V841-Y867 HydrophobicContact CG2-CG 4.09Å; V841-I869 HydrophobicContact CB-CD1 4.26Å; V841-I869 HydrophobicContact CG1-CD1 3.89Å; V841-I869 HydrophobicContact CG1-CG1 4.47Å; V841-I869 HydrophobicContact CG2-CD1 4.2Å
842	S	94.9	Very high	95.9	Very high	84 Å²	84	43 Å²	43	59%	0.587	23%	0.233	S	C	*	.	H	α-helix	trans	-63	-30.5	179.2	55.1	0	0	0	0	113.9	C840 T846	C840-S842 VanDerWaalsContact C-N 3.32Å; C840-S842 PolarHBondContact O-N 3Å; S842-T846 PolarHBondContact O-N 3.28Å; S842-T846 VanDerWaalsContact O-N 3.12Å; S842-T846 PolarHBondContact O-OG1 2.84Å
843	A	95.7	Very high	95.7	Very high	19 Å²	19	43.8 Å²	43.8	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-39.6	175	0	0	0	0	0	110.7	C840 V841 Y845 T846 V847 T889	C840-A843 WeakPolarHBondContact O-CA 3.45Å; C840-A843 VanDerWaalsContact O-CB 3.31Å; C840-A843 WeakPolarHBondContact O-CB 3.29Å; C840-A843 PolarHBondContact O-N 3.25Å; V841-A843 VanDerWaalsContact C-N 3.26Å; V841-A843 PolarHBondContact O-N 2.94Å; A843-Y845 PolarHBondContact O-N 2.98Å; A843-T846 WeakPolarHBondContact O-CB 3.3Å; A843-T846 PolarHBondContact O-N 3.24Å; A843-T846 VanDerWaalsContact O-N 3.13Å; A843-V847 WeakPolarHBondContact O-CG2 3.29Å; A843-V847 PolarHBondContact O-N 3.46Å; A843-T889 HydrophobicContact CB-CG2 3.96Å
844	V	96.4	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-48.6	174.9	-176	0	0	0	0	111.1	V834 A836 C840 V841 T846 V847 L848 I869 L885 A893	V834-V844 HydrophobicContact CB-CG1 4.17Å; V834-V844 HydrophobicContact CG1-CG1 4.03Å; V834-V844 HydrophobicContact CG1-CG2 3.96Å; V834-V844 HydrophobicContact CG2-CG1 3.94Å; A836-V844 HydrophobicContact CB-CG2 4.05Å; C840-V844 WeakPolarHBondContact O-CG2 3.43Å; C840-V844 PolarHBondContact O-N 3.36Å; C840-V844 VanDerWaalsContact O-N 3.11Å; V841-V844 WeakPolarHBondContact O-CB 3.26Å; V841-V844 PolarHBondContact O-N 3.21Å; V844-T846 VanDerWaalsContact C-N 3.27Å; V844-T846 PolarHBondContact O-N 3.17Å; V844-V847 PolarHBondContact O-N 2.8Å; V844-L848 HydrophobicContact CG1-CD1 3.88Å; V844-L848 HydrophobicContact CG1-CG 4.48Å; V844-L848 WeakPolarHBondContact O-CB 3.45Å; V844-L848 WeakPolarHBondContact O-CG 3.4Å; V844-L848 PolarHBondContact O-N 3.17Å; V844-I869 HydrophobicContact CB-CD1 3.71Å; V844-I869 HydrophobicContact CG1-CD1 3.77Å; V844-I869 HydrophobicContact CG1-CG2 4.37Å; V844-I869 HydrophobicContact CG2-CD1 3.74Å; V844-L885 HydrophobicContact CB-CD1 4.15Å; V844-L885 HydrophobicContact CG1-CD1 4.13Å; V844-L885 HydrophobicContact CG2-CD1 3.96Å; V844-A893 HydrophobicContact CG2-CB 4.25Å
845	Y	96.1	Very high	95.5	Very high	92 Å²	92	50.6 Å²	50.6	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-39.1	175.7	-82.4	-100.9	0	0	0	112.2	V841 A843 A849 V855 D858	V841-Y845 HydrophobicContact CG1-CD2 4.01Å; V841-Y845 HydrophobicContact CG1-CE2 3.7Å; V841-Y845 WeakPolarHBondContact O-CD2 3.37Å; V841-Y845 PolarHBondContact O-N 2.73Å; A843-Y845 PolarHBondContact O-N 2.98Å; Y845-A849 VanDerWaalsContact O-CB 3.23Å; Y845-A849 WeakPolarHBondContact O-CB 3.18Å; Y845-A849 PolarHBondContact O-N 2.84Å; Y845-V855 HydrophobicContact CD1-CB 4.37Å; Y845-V855 HydrophobicContact CD1-CG2 3.74Å; Y845-V855 HydrophobicContact CE1-CB 3.74Å; Y845-V855 HydrophobicContact CE1-CG1 3.97Å; Y845-V855 HydrophobicContact CE1-CG2 3.58Å; Y845-V855 HydrophobicContact CE2-CG2 4.46Å; Y845-V855 HydrophobicContact CG-CG2 4.28Å; Y845-D858 WeakPolarHBondContact OH-CB 3.36Å; Y845-D858 PolarHBondContact OH-OD2 2.96Å; Y845-D858 VanDerWaalsContact OH-OD2 3.13Å
846	T	95.9	Very high	95.4	Very high	64 Å²	64	52.8 Å²	52.8	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-42.8	179.8	-57.6	0	0	0	0	111.7	S842 A843 V844 R850	S842-T846 PolarHBondContact O-N 3.28Å; S842-T846 VanDerWaalsContact O-N 3.12Å; S842-T846 PolarHBondContact O-OG1 2.84Å; A843-T846 WeakPolarHBondContact O-CB 3.3Å; A843-T846 PolarHBondContact O-N 3.24Å; A843-T846 VanDerWaalsContact O-N 3.13Å; V844-T846 VanDerWaalsContact C-N 3.27Å; V844-T846 PolarHBondContact O-N 3.17Å; T846-R850 WeakPolarHBondContact O-CG 3.24Å; T846-R850 PolarHBondContact O-N 2.93Å
847	V	96.9	Very high	95.4	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-44.4	178.2	178.6	0	0	0	0	110.7	A843 V844 A849 R850 F881 D884 L885 H888	A843-V847 WeakPolarHBondContact O-CG2 3.29Å; A843-V847 PolarHBondContact O-N 3.46Å; V844-V847 PolarHBondContact O-N 2.8Å; V847-A849 PolarHBondContact O-N 3Å; V847-R850 PolarHBondContact O-N 3.25Å; V847-F881 HydrophobicContact CB-CE2 4.48Å; V847-F881 HydrophobicContact CG1-CD2 3.91Å; V847-F881 HydrophobicContact CG1-CE2 3.76Å; V847-D884 HydrophobicContact CG1-CB 4.27Å; V847-L885 HydrophobicContact CB-CD1 4.26Å; V847-L885 HydrophobicContact CG2-CD1 4.35Å; V847-H888 HydrophobicContact CG2-CB 4.17Å
848	L	96.1	Very high	95.3	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-43.5	176.7	-77.1	168.5	0	0	0	112.3	V844 R850 R851 R852 G853 V855 A871 I873 F881	V844-L848 HydrophobicContact CG1-CD1 3.88Å; V844-L848 HydrophobicContact CG1-CG 4.48Å; V844-L848 WeakPolarHBondContact O-CB 3.45Å; V844-L848 WeakPolarHBondContact O-CG 3.4Å; V844-L848 PolarHBondContact O-N 3.17Å; L848-R850 PolarHBondContact O-N 2.9Å; L848-R851 CarbonylContact O-C 3.48Å; L848-R851 PolarHBondContact O-N 2.7Å; L848-R852 PolarHBondContact O-N 3.3Å; L848-G853 WeakPolarHBondContact O-CA 3.35Å; L848-G853 PolarHBondContact O-N 3.35Å; L848-V855 HydrophobicContact CD1-CG2 3.66Å; L848-A871 HydrophobicContact CD1-CB 3.69Å; L848-A871 HydrophobicContact CD2-CB 4.14Å; L848-I873 HydrophobicContact CD2-CD1 4.43Å; L848-F881 HydrophobicContact CD2-CD2 4.5Å; L848-F881 HydrophobicContact CD2-CE2 3.51Å; L848-F881 HydrophobicContact CD2-CZ 3.53Å; L848-F881 HydrophobicContact CG-CE2 3.85Å; L848-F881 HydrophobicContact CG-CZ 3.92Å
849	A	95.1	Very high	95.3	Very high	74 Å²	74	57.5 Å²	57.5	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-62.3	-29.2	-178.9	0	0	0	0	0	113.2	Y845 V847 R851	Y845-A849 VanDerWaalsContact O-CB 3.23Å; Y845-A849 WeakPolarHBondContact O-CB 3.18Å; Y845-A849 PolarHBondContact O-N 2.84Å; V847-A849 PolarHBondContact O-N 3Å; A849-R851 PolarHBondContact O-N 2.78Å
850	R	95	Very high	95.3	Very high	181 Å²	181	56 Å²	56	68%	0.683	30%	0.302	S	S	*	.	H	α-helix	trans	-70.9	-19.6	174.8	-70	177.1	-177.3	174.3	3.5	113.2	T846 V847 L848	T846-R850 WeakPolarHBondContact O-CG 3.24Å; T846-R850 PolarHBondContact O-N 2.93Å; V847-R850 PolarHBondContact O-N 3.25Å; L848-R850 PolarHBondContact O-N 2.9Å
851	R	95.5	Very high	95.2	Very high	51 Å²	51	56 Å²	56	19%	0.192	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	30.6	-171.7	-70.3	172	172.8	-86.7	5.6	112.3	L848 A849 G853 I873 D877 F879 D884	L848-R851 CarbonylContact O-C 3.48Å; L848-R851 PolarHBondContact O-N 2.7Å; A849-R851 PolarHBondContact O-N 2.78Å; R851-G853 PolarHBondContact O-N 3.23Å; R851-I873 HydrophobicContact CB-CD1 3.86Å; R851-I873 HydrophobicContact CB-CG1 4.39Å; R851-D877 HydrophobicContact CB-CB 4.05Å; R851-D877 WeakPolarHBondContact CD-O 3.34Å; R851-D877 PolarHBondContact NH1-O 2.83Å; R851-F879 PolarHBondContact NH1-O 2.9Å; R851-F879 PolarHBondContact NH2-O 2.79Å; R851-F879 VanDerWaalsContact NH2-O 3.13Å; R851-D884 IonicContact CZ-OD2 2.62Å; R851-D884 IonicContact NE-OD2 2.7Å; R851-D884 PolarHBondContact NE-OD2 3.5Å; R851-D884 IonicContact NH2-OD2 2.86Å; R851-D884 PolarHBondContact NH2-OD2 3.1Å
852	R	94.6	Very high	95.1	Very high	74 Å²	74	58.5 Å²	58.5	28%	0.279	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	20.8	-176.6	-55.9	-173.2	-66.3	134.7	-8.5	114.4	E827 L848 P874 D877	E827-R852 IonicContact OE1-CZ 3.6Å; E827-R852 IonicContact OE1-NH1 3.51Å; E827-R852 PolarHBondContact OE1-NH1 2.87Å; E827-R852 IonicContact OE1-NH2 2.95Å; E827-R852 IonicContact OE2-CZ 3.83Å; E827-R852 IonicContact OE2-NH1 3.89Å; E827-R852 PolarHBondContact OE2-NH1 2.81Å; E827-R852 IonicContact OE2-NH2 3.43Å; E827-R852 PolarHBondContact OE2-NH2 3.01Å; L848-R852 PolarHBondContact O-N 3.3Å; R852-P874 HydrophobicContact CB-CG 4.09Å; R852-P874 VanDerWaalsContact CZ-CG 3.4Å; R852-P874 VanDerWaalsContact NH2-CB 3.29Å; R852-P874 VanDerWaalsContact NH2-CG 3.31Å; R852-D877 IonicContact CZ-OD2 3.73Å; R852-D877 IonicContact NE-OD2 2.6Å; R852-D877 PolarHBondContact NE-OD2 2.81Å; R852-D877 IonicContact NH2-OD2 2.99Å; R852-D877 PolarHBondContact NH2-OD2 3.43Å
853	G	94	Very high	94.8	Very high	16 Å²	16	56.5 Å²	56.5	17%	0.165	31%	0.31	C	S	.	.			trans	-74.2	138.1	-178.7	0	0	0	0	0	111.9	L848 R851 F872	L848-G853 WeakPolarHBondContact O-CA 3.35Å; L848-G853 PolarHBondContact O-N 3.35Å; R851-G853 PolarHBondContact O-N 3.23Å; G853-F872 CarbonylContact C-O 3.55Å; G853-F872 WeakPolarHBondContact CA-O 3.42Å
854	H	93.7	Very high	94.6	Very high	127 Å²	127	56.6 Å²	56.6	59%	0.588	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.7	176	175.9	-79.3	0	0	0	110.3	T856 A871 F872	H854-T856 PolarHBondContact O-N 2.85Å; H854-A871 CarbonylContact O-C 3.52Å; H854-A871 VanDerWaalsContact O-CA 3.32Å; H854-A871 WeakPolarHBondContact O-CA 3.28Å; H854-F872 PolarHBondContact N-O 2.95Å; H854-F872 PolarHBondContact O-N 3.5Å
855	V	96.6	Very high	94.5	Very high	25 Å²	25	61 Å²	61	15%	0.152	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.2	175.9	179.9	0	0	0	0	109.7	Y845 L848 I869 A871	Y845-V855 HydrophobicContact CD1-CB 4.37Å; Y845-V855 HydrophobicContact CD1-CG2 3.74Å; Y845-V855 HydrophobicContact CE1-CB 3.74Å; Y845-V855 HydrophobicContact CE1-CG1 3.97Å; Y845-V855 HydrophobicContact CE1-CG2 3.58Å; Y845-V855 HydrophobicContact CE2-CG2 4.46Å; Y845-V855 HydrophobicContact CG-CG2 4.28Å; L848-V855 HydrophobicContact CD1-CG2 3.66Å; V855-I869 HydrophobicContact CG1-CG2 3.72Å; V855-I869 HydrophobicContact CG2-CG2 4.15Å; V855-A871 HydrophobicContact CG2-CB 4.28Å
856	T	95.4	Very high	94.5	Very high	67 Å²	67	58.4 Å²	58.4	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-39.8	179.3	53.2	0	0	0	0	112.1	H854 K870 F872	H854-T856 PolarHBondContact O-N 2.85Å; T856-K870 PolarHBondContact N-O 3.27Å; T856-K870 VanDerWaalsContact OG1-C 3.3Å; T856-K870 PolarHBondContact OG1-O 3.48Å; T856-F872 HydrophobicContact CG2-CD2 3.34Å; T856-F872 HydrophobicContact CG2-CE2 3.41Å; T856-F872 VanDerWaalsContact CG2-CE2 3.41Å; T856-F872 HydrophobicContact CG2-CG 4.37Å; T856-F872 HydrophobicContact CG2-CZ 4.47Å
857	Q	95.3	Very high	94.5	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.3	-177.8	-175.1	-179.4	3.6	0	0	110.3	A859 I869 K870	Q857-A859 HydrophobicContact CG-CB 4.3Å; Q857-I869 WeakPolarHBondContact O-CA 3.26Å; Q857-K870 HydrophobicContact CB-CB 4.2Å; Q857-K870 PolarHBondContact N-O 3.16Å; Q857-K870 PolarHBondContact O-N 2.75Å
858	D	93.8	Very high	94.5	Very high	63 Å²	63	59.6 Å²	59.6	34%	0.337	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.9	170.1	178.2	-10.6	0	0	0	106.7	V841 Y845 Y867	V841-D858 WeakPolarHBondContact CG1-OD2 3.28Å; Y845-D858 WeakPolarHBondContact OH-CB 3.36Å; Y845-D858 PolarHBondContact OH-OD2 2.96Å; Y845-D858 VanDerWaalsContact OH-OD2 3.13Å; D858-Y867 WeakPolarHBondContact OD1-CD1 3.12Å
859	A	95	Very high	94.5	Very high	28 Å²	28	59.6 Å²	59.6	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137	-176.8	0	0	0	0	0	111.2	Q857 T868	Q857-A859 HydrophobicContact CG-CB 4.3Å; A859-T868 PolarHBondContact N-O 3.13Å; A859-T868 VanDerWaalsContact N-O 3.08Å; A859-T868 PolarHBondContact O-N 3.4Å
860	P	95.1	Very high	94.6	Very high	78 Å²	78	58.2 Å²	58.2	51%	0.506	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.9	171.6	28.7	-33.5	0	0	0	110.1	P862 Y867	P860-P862 VanDerWaalsContact O-CD 3.28Å; P860-P862 WeakPolarHBondContact O-CD 3.39Å; P860-Y867 HydrophobicContact CB-CD1 4.19Å; P860-Y867 HydrophobicContact CB-CE1 3.87Å; P860-Y867 HydrophobicContact CB-CE2 4.33Å; P860-Y867 HydrophobicContact CG-CE1 4.42Å
861	I	93.9	Very high	94.8	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.046	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-72.4	118.8	174.8	-67.2	162.1	0	0	0	108.4	E231 M234 G863 S864 L866 T868	E231-I861 WeakPolarHBondContact O-CG2 3.4Å; M234-I861 HydrophobicContact CE-CD1 3.81Å; M234-I861 HydrophobicContact CE-CG1 4.44Å; I861-G863 PolarHBondContact O-N 3.19Å; I861-S864 PolarHBondContact O-N 2.91Å; I861-S864 VanDerWaalsContact O-O 3.08Å; I861-L866 WeakPolarHBondContact CB-O 3.47Å; I861-L866 HydrophobicContact CD1-CB 3.69Å; I861-L866 PolarHBondContact N-O 3.32Å; I861-T868 VanDerWaalsContact CD1-OG1 3.28Å; I861-T868 WeakPolarHBondContact CD1-OG1 3.11Å; I861-T868 WeakPolarHBondContact CG1-OG1 3.47Å
862	P	92.3	Very high	94.9	Very high	70 Å²	70	49.2 Å²	49.2	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	125.4	-177.4	-27.1	38.5	0	0	0	111.3	K275 H278 P860 S864	K275-P862 WeakPolarHBondContact CD-O 3.21Å; K275-P862 VanDerWaalsContact CE-O 3.25Å; K275-P862 WeakPolarHBondContact CE-O 3.28Å; K275-P862 PolarHBondContact NZ-O 3.24Å; H278-P862 WeakPolarHBondContact NE2-CG 3.43Å; P860-P862 VanDerWaalsContact O-CD 3.28Å; P860-P862 WeakPolarHBondContact O-CD 3.39Å; P862-S864 VanDerWaalsContact C-N 3.34Å
863	G	88.4	Confident	95	Very high	42 Å²	42	45.7 Å²	45.7	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	8.4	-179.4	0	0	0	0	0	115.6	I861	I861-G863 PolarHBondContact O-N 3.19Å
864	S	92.5	Very high	95.2	Very high	22 Å²	22	44.9 Å²	44.9	15%	0.154	26%	0.255	C	S	.	.	S	Bend	trans	-129.3	151.7	175.8	176.1	0	0	0	0	110.3	I861 P862 L866	I861-S864 PolarHBondContact O-N 2.91Å; I861-S864 VanDerWaalsContact O-O 3.08Å; P862-S864 VanDerWaalsContact C-N 3.34Å; S864-L866 PolarHBondContact O-N 3.23Å; S864-L866 PolarHBondContact OG-N 3.06Å
865	P	93.6	Very high	95.3	Very high	91 Å²	91	38.9 Å²	38.9	59%	0.591	23%	0.227	S	C	*	.	S	Bend	trans	-75	-4.5	173.3	32.1	-37.3	0	0	0	113.8
866	L	95.3	Very high	95.2	Very high	39 Å²	39	39.5 Å²	39.5	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	157.5	-178	-60.2	178.1	0	0	0	112	P837 I861 S864	P837-L866 HydrophobicContact CB-CD2 4.11Å; P837-L866 HydrophobicContact CG-CD2 4.05Å; I861-L866 WeakPolarHBondContact CB-O 3.47Å; I861-L866 HydrophobicContact CD1-CB 3.69Å; I861-L866 PolarHBondContact N-O 3.32Å; S864-L866 PolarHBondContact O-N 3.23Å; S864-L866 PolarHBondContact OG-N 3.06Å
867	Y	96.3	Very high	95.3	Very high	78 Å²	78	38.3 Å²	38.3	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.1	173.6	-78.3	-111	0	0	0	109.5	Q835 A836 A838 V841 D858 P860	Q835-Y867 WeakPolarHBondContact CA-O 3.23Å; A836-Y867 PolarHBondContact N-O 3.36Å; A836-Y867 PolarHBondContact O-N 3.02Å; A838-Y867 HydrophobicContact CB-CD2 4Å; A838-Y867 HydrophobicContact CB-CE2 3.63Å; V841-Y867 HydrophobicContact CG2-CD1 4.47Å; V841-Y867 HydrophobicContact CG2-CG 4.09Å; D858-Y867 WeakPolarHBondContact OD1-CD1 3.12Å; P860-Y867 HydrophobicContact CB-CD1 4.19Å; P860-Y867 HydrophobicContact CB-CE1 3.87Å; P860-Y867 HydrophobicContact CB-CE2 4.33Å; P860-Y867 HydrophobicContact CG-CE1 4.42Å
868	T	96.6	Very high	95.3	Very high	17 Å²	17	33.9 Å²	33.9	10%	0.104	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.1	169.1	-59.9	0	0	0	0	108.6	E833 V834 A859 I861 K870	E833-T868 HydrophobicContact CG-CG2 3.51Å; V834-T868 CarbonylContact O-C 3.48Å; V834-T868 WeakPolarHBondContact O-CA 3.43Å; A859-T868 PolarHBondContact N-O 3.13Å; A859-T868 VanDerWaalsContact N-O 3.08Å; A859-T868 PolarHBondContact O-N 3.4Å; I861-T868 VanDerWaalsContact CD1-OG1 3.28Å; I861-T868 WeakPolarHBondContact CD1-OG1 3.11Å; I861-T868 WeakPolarHBondContact CG1-OG1 3.47Å; T868-K870 HydrophobicContact CG2-CG 4.16Å
869	I	97.2	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.2	176.1	-54.8	160.4	0	0	0	107.1	V834 V841 V844 V855 Q857	V834-I869 HydrophobicContact CB-CB 4.24Å; V834-I869 PolarHBondContact N-O 3.04Å; V834-I869 PolarHBondContact O-N 3.5Å; V841-I869 HydrophobicContact CB-CD1 4.26Å; V841-I869 HydrophobicContact CG1-CD1 3.89Å; V841-I869 HydrophobicContact CG1-CG1 4.47Å; V841-I869 HydrophobicContact CG2-CD1 4.2Å; V844-I869 HydrophobicContact CB-CD1 3.71Å; V844-I869 HydrophobicContact CG1-CD1 3.77Å; V844-I869 HydrophobicContact CG1-CG2 4.37Å; V844-I869 HydrophobicContact CG2-CD1 3.74Å; V855-I869 HydrophobicContact CG1-CG2 3.72Å; V855-I869 HydrophobicContact CG2-CG2 4.15Å; Q857-I869 WeakPolarHBondContact O-CA 3.26Å
870	K	97.6	Very high	95.4	Very high	45 Å²	45	32.3 Å²	32.3	20%	0.196	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.9	175.9	-64	179.7	164.3	-165.9	0	108.2	E238 F831 V832 E833 T856 Q857 T868	E238-K870 IonicContact OE2-NZ 3.65Å; F831-K870 HydrophobicContact CE1-CG 4.49Å; F831-K870 HydrophobicContact CE2-CB 3.84Å; F831-K870 HydrophobicContact CE2-CD 4.42Å; F831-K870 HydrophobicContact CE2-CG 4.3Å; F831-K870 HydrophobicContact CZ-CB 3.67Å; F831-K870 HydrophobicContact CZ-CD 3.72Å; F831-K870 HydrophobicContact CZ-CG 3.62Å; V832-K870 CarbonylContact O-C 3.56Å; V832-K870 WeakPolarHBondContact O-CA 3.38Å; E833-K870 HydrophobicContact CG-CG 4.46Å; E833-K870 WeakPolarHBondContact OE2-CE 3.18Å; T856-K870 PolarHBondContact N-O 3.27Å; T856-K870 VanDerWaalsContact OG1-C 3.3Å; T856-K870 PolarHBondContact OG1-O 3.48Å; Q857-K870 HydrophobicContact CB-CB 4.2Å; Q857-K870 PolarHBondContact N-O 3.16Å; Q857-K870 PolarHBondContact O-N 2.75Å; T868-K870 HydrophobicContact CG2-CG 4.16Å
871	A	97.7	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	162.8	-176.9	0	0	0	0	0	111.6	V832 L848 H854 V855	V832-A871 PolarHBondContact N-O 3.29Å; V832-A871 PolarHBondContact O-N 3.05Å; L848-A871 HydrophobicContact CD1-CB 3.69Å; L848-A871 HydrophobicContact CD2-CB 4.14Å; H854-A871 CarbonylContact O-C 3.52Å; H854-A871 VanDerWaalsContact O-CA 3.32Å; H854-A871 WeakPolarHBondContact O-CA 3.28Å; V855-A871 HydrophobicContact CG2-CB 4.28Å
872	F	98.1	Very high	95.5	Very high	43 Å²	43	30.8 Å²	30.8	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.5	166.7	-69.5	-61.2	0	0	0	109.9	Y829 Y830 F831 G853 H854 T856 H900 H901	Y829-F872 HydrophobicContact CD1-CB 4.13Å; Y830-F872 WeakPolarHBondContact O-CA 3.45Å; F831-F872 HydrophobicContact CB-CD1 4.2Å; F831-F872 HydrophobicContact CB-CE1 3.94Å; F831-F872 HydrophobicContact CD2-CD1 4.12Å; F831-F872 AromaticContact CD2-CE1 3.6Å; F831-F872 HydrophobicContact CD2-CE1 3.6Å; F831-F872 HydrophobicContact CD2-CZ 4.05Å; F831-F872 HydrophobicContact CG-CE1 4.27Å; G853-F872 CarbonylContact C-O 3.55Å; G853-F872 WeakPolarHBondContact CA-O 3.42Å; H854-F872 PolarHBondContact N-O 2.95Å; H854-F872 PolarHBondContact O-N 3.5Å; T856-F872 HydrophobicContact CG2-CD2 3.34Å; T856-F872 HydrophobicContact CG2-CE2 3.41Å; T856-F872 VanDerWaalsContact CG2-CE2 3.41Å; T856-F872 HydrophobicContact CG2-CG 4.37Å; T856-F872 HydrophobicContact CG2-CZ 4.47Å; F872-H900 HydrophobicContact CE1-CB 4.12Å; F872-H900 AromaticContact CE1-CD2 3.86Å; F872-H900 AromaticContact CE1-CG 3.7Å; F872-H900 AromaticContact CE1-ND1 3.92Å; F872-H901 AromaticContact CD1-CE1 3.73Å; F872-H901 AromaticContact CE1-CE1 3.73Å; F872-H901 AromaticContact CE1-ND1 3.85Å
873	I	97.3	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.1	174.7	-165.1	170.8	0	0	0	108.9	Y829 Y830 V832 L848 R851 A875 D877 F881	Y829-I873 CarbonylContact C-O 3.6Å; Y829-I873 WeakPolarHBondContact CA-O 3.48Å; Y830-I873 PolarHBondContact N-O 3.2Å; Y830-I873 PolarHBondContact O-N 3.2Å; V832-I873 HydrophobicContact CG2-CB 4.24Å; V832-I873 HydrophobicContact CG2-CG2 3.4Å; L848-I873 HydrophobicContact CD2-CD1 4.43Å; R851-I873 HydrophobicContact CB-CD1 3.86Å; R851-I873 HydrophobicContact CB-CG1 4.39Å; I873-A875 PolarHBondContact O-N 3.49Å; I873-D877 HydrophobicContact CG1-CB 4.46Å; I873-F881 HydrophobicContact CD1-CB 4.35Å; I873-F881 HydrophobicContact CD1-CD2 3.84Å; I873-F881 HydrophobicContact CD1-CE2 4.35Å; I873-F881 HydrophobicContact CD1-CG 4.04Å
874	P	97.3	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	133.7	167.3	-16.4	27.1	0	0	0	109.6	Y829 R852 I876 D877 S878	Y829-P874 HydrophobicContact CD1-CG 4.42Å; Y829-P874 HydrophobicContact CE1-CB 4.33Å; Y829-P874 HydrophobicContact CE1-CG 3.7Å; Y829-P874 HydrophobicContact CE2-CB 4.39Å; Y829-P874 HydrophobicContact CE2-CG 4.38Å; R852-P874 HydrophobicContact CB-CG 4.09Å; R852-P874 VanDerWaalsContact CZ-CG 3.4Å; R852-P874 VanDerWaalsContact NH2-CB 3.29Å; R852-P874 VanDerWaalsContact NH2-CG 3.31Å; P874-I876 HydrophobicContact CB-CG2 4.23Å; P874-I876 PolarHBondContact O-N 2.86Å; P874-D877 HydrophobicContact CB-CB 4.32Å; P874-D877 HydrophobicContact CG-CB 4.44Å; P874-D877 CarbonylContact O-C 3.57Å; P874-D877 PolarHBondContact O-N 2.95Å; P874-S878 PolarHBondContact O-N 3.11Å; P874-S878 VanDerWaalsContact O-N 3.07Å
875	A	96.3	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.8	-31.1	-176.2	0	0	0	0	0	112.3	I586 V658 P828 Y830 I873 D877 S878	I586-A875 HydrophobicContact CD1-CB 4.21Å; V658-A875 HydrophobicContact CG1-CB 3.83Å; P828-A875 HydrophobicContact CB-CB 4.32Å; P828-A875 HydrophobicContact CG-CB 4.04Å; P828-A875 WeakPolarHBondContact O-CB 3.24Å; P828-A875 PolarHBondContact O-N 2.99Å; Y830-A875 HydrophobicContact CD1-CB 3.93Å; Y830-A875 HydrophobicContact CD2-CB 4.19Å; Y830-A875 HydrophobicContact CE1-CB 3.96Å; Y830-A875 HydrophobicContact CE2-CB 4.12Å; Y830-A875 HydrophobicContact CG-CB 4.11Å; I873-A875 PolarHBondContact O-N 3.49Å; A875-D877 VanDerWaalsContact C-N 3.28Å; A875-D877 PolarHBondContact O-N 2.98Å; A875-S878 WeakPolarHBondContact O-CB 3.47Å; A875-S878 PolarHBondContact O-N 2.97Å; A875-S878 VanDerWaalsContact O-N 3.1Å; A875-S878 PolarHBondContact O-OG 3.46Å
876	I	95.4	Very high	96.3	Very high	38 Å²	38	32.5 Å²	32.5	20%	0.195	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-64	-32.4	173.7	-164.5	164.4	0	0	0	112.9	V658 F660 P874 S878 F879 F931	V658-I876 HydrophobicContact CG1-CB 4.18Å; V658-I876 HydrophobicContact CG2-CB 4.17Å; F660-I876 HydrophobicContact CZ-CD1 4.47Å; P874-I876 HydrophobicContact CB-CG2 4.23Å; P874-I876 PolarHBondContact O-N 2.86Å; I876-S878 VanDerWaalsContact C-N 3.32Å; I876-F879 HydrophobicContact CG1-CE2 4.29Å; I876-F879 WeakPolarHBondContact O-CD2 3.34Å; I876-F931 HydrophobicContact CD1-CD1 4.27Å; I876-F931 HydrophobicContact CD1-CE1 3.62Å; I876-F931 HydrophobicContact CD1-CZ 3.81Å; I876-F931 HydrophobicContact CG2-CZ 4.16Å
877	D	95.8	Very high	96.3	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.23	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-90.5	-0.7	176.8	-64.1	-38.4	0	0	0	112.1	R851 R852 I873 P874 A875 F879	R851-D877 HydrophobicContact CB-CB 4.05Å; R851-D877 WeakPolarHBondContact CD-O 3.34Å; R851-D877 PolarHBondContact NH1-O 2.83Å; R852-D877 IonicContact CZ-OD2 3.73Å; R852-D877 IonicContact NE-OD2 2.6Å; R852-D877 PolarHBondContact NE-OD2 2.81Å; R852-D877 IonicContact NH2-OD2 2.99Å; R852-D877 PolarHBondContact NH2-OD2 3.43Å; I873-D877 HydrophobicContact CG1-CB 4.46Å; P874-D877 HydrophobicContact CB-CB 4.32Å; P874-D877 HydrophobicContact CG-CB 4.44Å; P874-D877 CarbonylContact O-C 3.57Å; P874-D877 PolarHBondContact O-N 2.95Å; A875-D877 VanDerWaalsContact C-N 3.28Å; A875-D877 PolarHBondContact O-N 2.98Å; D877-F879 VanDerWaalsContact C-N 3.33Å
878	S	96.1	Very high	96.3	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.035	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-79.5	-15.8	176.4	78.3	0	0	0	0	113.1	E632 P874 A875 I876 G880 F881	E632-S878 VanDerWaalsContact OE1-O 3.12Å; P874-S878 PolarHBondContact O-N 3.11Å; P874-S878 VanDerWaalsContact O-N 3.07Å; A875-S878 WeakPolarHBondContact O-CB 3.47Å; A875-S878 PolarHBondContact O-N 2.97Å; A875-S878 VanDerWaalsContact O-N 3.1Å; A875-S878 PolarHBondContact O-OG 3.46Å; I876-S878 VanDerWaalsContact C-N 3.32Å; S878-G880 PolarHBondContact O-N 3.15Å; S878-G880 VanDerWaalsContact O-N 3.16Å; S878-F881 WeakPolarHBondContact O-CB 3.41Å; S878-F881 PolarHBondContact O-N 3.4Å
879	F	95.9	Very high	96.2	Very high	38 Å²	38	36.1 Å²	36.1	17%	0.167	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	117.1	-176.5	-60.5	-45.4	0	0	0	112.6	I586 E632 P656 V658 R851 I876 D877 F881	I586-F879 HydrophobicContact CD1-CE1 3.65Å; I586-F879 HydrophobicContact CD1-CZ 3.88Å; I586-F879 HydrophobicContact CG1-CE1 4.2Å; I586-F879 HydrophobicContact CG2-CE1 3.66Å; I586-F879 HydrophobicContact CG2-CZ 3.94Å; E632-F879 HydrophobicContact CG-CD1 4.31Å; E632-F879 WeakPolarHBondContact OE1-CA 3.2Å; P656-F879 HydrophobicContact CB-CD1 4.18Å; P656-F879 HydrophobicContact CB-CE1 3.73Å; P656-F879 HydrophobicContact CB-CE2 4.13Å; P656-F879 HydrophobicContact CB-CZ 3.7Å; P656-F879 HydrophobicContact CG-CD1 3.92Å; P656-F879 HydrophobicContact CG-CD2 4.12Å; P656-F879 HydrophobicContact CG-CE1 3.99Å; P656-F879 HydrophobicContact CG-CE2 4.19Å; P656-F879 HydrophobicContact CG-CG 4Å; P656-F879 HydrophobicContact CG-CZ 4.13Å; P656-F879 WeakPolarHBondContact O-CE2 3.01Å; V658-F879 HydrophobicContact CG1-CZ 4.1Å; R851-F879 PolarHBondContact NH1-O 2.9Å; R851-F879 PolarHBondContact NH2-O 2.79Å; R851-F879 VanDerWaalsContact NH2-O 3.13Å; I876-F879 HydrophobicContact CG1-CE2 4.29Å; I876-F879 WeakPolarHBondContact O-CD2 3.34Å; D877-F879 VanDerWaalsContact C-N 3.33Å; F879-F881 VanDerWaalsContact C-N 3.28Å; F879-F881 PolarHBondContact O-N 2.82Å
880	G	95.3	Very high	96.1	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	9	-175.2	0	0	0	0	0	114.4	E632 S878 T883 D884	E632-G880 PolarHBondContact OE1-N 3.07Å; S878-G880 PolarHBondContact O-N 3.15Å; S878-G880 VanDerWaalsContact O-N 3.16Å; G880-T883 PolarHBondContact O-N 2.88Å; G880-D884 WeakPolarHBondContact O-CB 3.42Å; G880-D884 PolarHBondContact O-N 2.85Å
881	F	96.4	Very high	95.9	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-45.5	-178.1	171.7	-100.1	0	0	0	112.1	V832 V847 L848 I873 S878 F879 T883 D884 L885	V832-F881 HydrophobicContact CG1-CD1 4.41Å; V832-F881 HydrophobicContact CG1-CE1 3.61Å; V832-F881 HydrophobicContact CG1-CZ 4.27Å; V847-F881 HydrophobicContact CB-CE2 4.48Å; V847-F881 HydrophobicContact CG1-CD2 3.91Å; V847-F881 HydrophobicContact CG1-CE2 3.76Å; L848-F881 HydrophobicContact CD2-CD2 4.5Å; L848-F881 HydrophobicContact CD2-CE2 3.51Å; L848-F881 HydrophobicContact CD2-CZ 3.53Å; L848-F881 HydrophobicContact CG-CE2 3.85Å; L848-F881 HydrophobicContact CG-CZ 3.92Å; I873-F881 HydrophobicContact CD1-CB 4.35Å; I873-F881 HydrophobicContact CD1-CD2 3.84Å; I873-F881 HydrophobicContact CD1-CE2 4.35Å; I873-F881 HydrophobicContact CD1-CG 4.04Å; S878-F881 WeakPolarHBondContact O-CB 3.41Å; S878-F881 PolarHBondContact O-N 3.4Å; F879-F881 VanDerWaalsContact C-N 3.28Å; F879-F881 PolarHBondContact O-N 2.82Å; F881-T883 VanDerWaalsContact C-N 3.33Å; F881-T883 PolarHBondContact O-N 3.36Å; F881-D884 PolarHBondContact O-N 3.32Å; F881-L885 HydrophobicContact CE1-CD2 4.03Å; F881-L885 HydrophobicContact CZ-CD2 4.03Å; F881-L885 WeakPolarHBondContact O-CB 3.21Å; F881-L885 PolarHBondContact O-N 3.33Å
882	E	94.6	Very high	95.7	Very high	49 Å²	49	49.3 Å²	49.3	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-46.6	177.7	-171.6	-159.3	145.5	0	0	110.6	L885 R886	E882-L885 PolarHBondContact O-N 3.44Å; E882-R886 HydrophobicContact CG-CG 4.45Å; E882-R886 WeakPolarHBondContact O-CB 3.45Å; E882-R886 VanDerWaalsContact O-CG 3.27Å; E882-R886 WeakPolarHBondContact O-CG 3.47Å; E882-R886 PolarHBondContact O-N 3.49Å; E882-R886 WeakPolarHBondContact OE1-CD 3.4Å; E882-R886 IonicContact OE1-CZ 2.75Å; E882-R886 IonicContact OE1-NH1 2.8Å; E882-R886 PolarHBondContact OE1-NH1 3.01Å
883	T	95.6	Very high	95.6	Very high	81 Å²	81	47.2 Å²	47.2	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-46.4	-179.6	-57.4	0	0	0	0	111.8	G880 F881 L885 R886 T887	G880-T883 PolarHBondContact O-N 2.88Å; F881-T883 VanDerWaalsContact C-N 3.33Å; F881-T883 PolarHBondContact O-N 3.36Å; T883-L885 VanDerWaalsContact C-N 3.35Å; T883-L885 PolarHBondContact O-N 2.99Å; T883-R886 PolarHBondContact O-N 3Å; T883-T887 VanDerWaalsContact O-CB 3.28Å; T883-T887 WeakPolarHBondContact O-CB 3.37Å; T883-T887 PolarHBondContact O-N 3.39Å; T883-T887 PolarHBondContact O-OG1 2.97Å
884	D	96.1	Very high	95.5	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-46.2	175.9	-83.2	-7	0	0	0	111	V847 R851 G880 F881 T887 H888	V847-D884 HydrophobicContact CG1-CB 4.27Å; R851-D884 IonicContact CZ-OD2 2.62Å; R851-D884 IonicContact NE-OD2 2.7Å; R851-D884 PolarHBondContact NE-OD2 3.5Å; R851-D884 IonicContact NH2-OD2 2.86Å; R851-D884 PolarHBondContact NH2-OD2 3.1Å; G880-D884 WeakPolarHBondContact O-CB 3.42Å; G880-D884 PolarHBondContact O-N 2.85Å; F881-D884 PolarHBondContact O-N 3.32Å; D884-T887 PolarHBondContact O-N 3.16Å; D884-H888 VanDerWaalsContact O-CB 3.28Å; D884-H888 WeakPolarHBondContact O-CB 3.16Å; D884-H888 PolarHBondContact O-N 3.36Å
885	L	96.3	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-48.1	-178.8	-172.7	66.8	0	0	0	111.5	V834 V844 V847 F881 E882 T883 H888 T889 A893	V834-L885 HydrophobicContact CB-CD2 4.5Å; V834-L885 HydrophobicContact CG1-CD2 3.71Å; V834-L885 HydrophobicContact CG2-CD2 3.97Å; V844-L885 HydrophobicContact CB-CD1 4.15Å; V844-L885 HydrophobicContact CG1-CD1 4.13Å; V844-L885 HydrophobicContact CG2-CD1 3.96Å; V847-L885 HydrophobicContact CB-CD1 4.26Å; V847-L885 HydrophobicContact CG2-CD1 4.35Å; F881-L885 HydrophobicContact CE1-CD2 4.03Å; F881-L885 HydrophobicContact CZ-CD2 4.03Å; F881-L885 WeakPolarHBondContact O-CB 3.21Å; F881-L885 PolarHBondContact O-N 3.33Å; E882-L885 PolarHBondContact O-N 3.44Å; T883-L885 VanDerWaalsContact C-N 3.35Å; T883-L885 PolarHBondContact O-N 2.99Å; L885-H888 PolarHBondContact O-N 2.83Å; L885-T889 WeakPolarHBondContact O-CB 3.28Å; L885-T889 WeakPolarHBondContact O-CG2 3.35Å; L885-T889 PolarHBondContact O-N 3.32Å; L885-T889 PolarHBondContact O-OG1 2.96Å; L885-A893 HydrophobicContact CD2-CB 4.37Å; L885-A893 HydrophobicContact CG-CB 4.16Å
886	R	95.1	Very high	95.4	Very high	108 Å²	108	50 Å²	50	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-42.8	177.6	-70.8	177.6	73.4	-177.2	-2.1	110.7	E882 T883 H888 T889 Q890 G891 A893	E882-R886 HydrophobicContact CG-CG 4.45Å; E882-R886 WeakPolarHBondContact O-CB 3.45Å; E882-R886 VanDerWaalsContact O-CG 3.27Å; E882-R886 WeakPolarHBondContact O-CG 3.47Å; E882-R886 PolarHBondContact O-N 3.49Å; E882-R886 WeakPolarHBondContact OE1-CD 3.4Å; E882-R886 IonicContact OE1-CZ 2.75Å; E882-R886 IonicContact OE1-NH1 2.8Å; E882-R886 PolarHBondContact OE1-NH1 3.01Å; T883-R886 PolarHBondContact O-N 3Å; R886-H888 PolarHBondContact O-N 3.26Å; R886-T889 CarbonylContact O-C 3.52Å; R886-T889 PolarHBondContact O-N 3.16Å; R886-T889 PolarHBondContact O-OG1 3.4Å; R886-Q890 CarbonylContact O-C 3.52Å; R886-Q890 PolarHBondContact O-N 3.01Å; R886-G891 PolarHBondContact O-N 3.32Å; R886-A893 WeakPolarHBondContact CG-O 3.39Å
887	T	96.2	Very high	95.5	Very high	104 Å²	104	49.6 Å²	49.6	64%	0.638	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-45.5	177.7	-57.7	0	0	0	0	111.4	T883 D884 T889 Q890	T883-T887 VanDerWaalsContact O-CB 3.28Å; T883-T887 WeakPolarHBondContact O-CB 3.37Å; T883-T887 PolarHBondContact O-N 3.39Å; T883-T887 PolarHBondContact O-OG1 2.97Å; D884-T887 PolarHBondContact O-N 3.16Å; T887-T889 VanDerWaalsContact C-N 3.26Å; T887-T889 PolarHBondContact O-N 3.3Å; T887-Q890 PolarHBondContact O-N 2.81Å
888	H	95.1	Very high	95.5	Very high	102 Å²	102	47.7 Å²	47.7	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-72	-19.6	-177.2	-141.6	-72.9	0	0	0	113.6	V847 D884 L885 R886	V847-H888 HydrophobicContact CG2-CB 4.17Å; D884-H888 VanDerWaalsContact O-CB 3.28Å; D884-H888 WeakPolarHBondContact O-CB 3.16Å; D884-H888 PolarHBondContact O-N 3.36Å; L885-H888 PolarHBondContact O-N 2.83Å; R886-H888 PolarHBondContact O-N 3.26Å
889	T	95	Very high	95.5	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.031	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	13.2	178.4	61.5	0	0	0	0	113.2	C840 A843 L885 R886 T887 G891 Q892 A893	C840-T889 HydrophobicContact CB-CG2 3.97Å; A843-T889 HydrophobicContact CB-CG2 3.96Å; L885-T889 WeakPolarHBondContact O-CB 3.28Å; L885-T889 WeakPolarHBondContact O-CG2 3.35Å; L885-T889 PolarHBondContact O-N 3.32Å; L885-T889 PolarHBondContact O-OG1 2.96Å; R886-T889 CarbonylContact O-C 3.52Å; R886-T889 PolarHBondContact O-N 3.16Å; R886-T889 PolarHBondContact O-OG1 3.4Å; T887-T889 VanDerWaalsContact C-N 3.26Å; T887-T889 PolarHBondContact O-N 3.3Å; T889-G891 PolarHBondContact O-N 3.35Å; T889-G891 VanDerWaalsContact O-N 3.17Å; T889-Q892 WeakPolarHBondContact O-CB 3.42Å; T889-Q892 WeakPolarHBondContact O-CG 3.22Å; T889-Q892 PolarHBondContact O-N 2.65Å; T889-A893 HydrophobicContact CG2-CB 3.71Å; T889-A893 WeakPolarHBondContact OG1-CB 3.29Å; T889-A893 PolarHBondContact OG1-N 3.04Å; T889-A893 VanDerWaalsContact OG1-N 3.15Å
890	Q	94.9	Very high	95.5	Very high	178 Å²	178	51.6 Å²	51.6	83%	0.832	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.5	-178.7	-55.4	178.7	-11.7	0	0	113.7	R886 T887 Q892	R886-Q890 CarbonylContact O-C 3.52Å; R886-Q890 PolarHBondContact O-N 3.01Å; T887-Q890 PolarHBondContact O-N 2.81Å; Q890-Q892 VanDerWaalsContact C-N 3.32Å
891	G	93.4	Very high	95.4	Very high	44 Å²	44	52.4 Å²	52.4	45%	0.454	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	5.3	179.2	0	0	0	0	0	114.6	R886 T889	R886-G891 PolarHBondContact O-N 3.32Å; T889-G891 PolarHBondContact O-N 3.35Å; T889-G891 VanDerWaalsContact O-N 3.17Å
892	Q	94.4	Very high	95.4	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.463	28%	0.275	S	S	.	.			trans	-79.8	-36.4	-177.6	-64.5	-171.3	-28.8	0	0	113.5	P837 C840 T889 Q890	P837-Q892 HydrophobicContact CG-CB 4.01Å; C840-Q892 PolarHBondContact SG-OE1 3.46Å; T889-Q892 WeakPolarHBondContact O-CB 3.42Å; T889-Q892 WeakPolarHBondContact O-CG 3.22Å; T889-Q892 PolarHBondContact O-N 2.65Å; Q890-Q892 VanDerWaalsContact C-N 3.32Å
893	A	95.7	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.			trans	-87.2	138.1	172.4	0	0	0	0	0	109.9	V834 Q835 A836 V844 L885 R886 T889	V834-A893 HydrophobicContact CG1-CB 4.15Å; Q835-A893 CarbonylContact O-C 3.57Å; Q835-A893 VanDerWaalsContact O-CA 3.3Å; Q835-A893 WeakPolarHBondContact O-CA 3.4Å; A836-A893 HydrophobicContact CB-CB 3.75Å; V844-A893 HydrophobicContact CG2-CB 4.25Å; L885-A893 HydrophobicContact CD2-CB 4.37Å; L885-A893 HydrophobicContact CG-CB 4.16Å; R886-A893 WeakPolarHBondContact CG-O 3.39Å; T889-A893 HydrophobicContact CG2-CB 3.71Å; T889-A893 WeakPolarHBondContact OG1-CB 3.29Å; T889-A893 PolarHBondContact OG1-N 3.04Å; T889-A893 VanDerWaalsContact OG1-N 3.15Å
894	F	95.1	Very high	95.5	Very high	52 Å²	52	55 Å²	55	23%	0.228	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.6	177.3	-178.7	-103	0	0	0	109.6	L136 V834 Q835 L896	L136-F894 HydrophobicContact CD2-CE1 3.63Å; L136-F894 HydrophobicContact CD2-CZ 3.43Å; L136-F894 VanDerWaalsContact CD2-CZ 3.43Å; V834-F894 CarbonylContact C-O 3.58Å; V834-F894 VanDerWaalsContact CA-O 3.3Å; V834-F894 WeakPolarHBondContact CA-O 3.23Å; Q835-F894 PolarHBondContact N-O 3.14Å; Q835-F894 PolarHBondContact O-N 2.86Å; F894-L896 HydrophobicContact CE1-CD1 4.42Å; F894-L896 HydrophobicContact CE1-CD2 3.59Å; F894-L896 HydrophobicContact CE1-CG 3.71Å; F894-L896 HydrophobicContact CZ-CD2 3.65Å; F894-L896 HydrophobicContact CZ-CG 4.29Å
895	S	95.6	Very high	95.5	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.9	-177.6	60.3	0	0	0	0	111.7	E833	E833-S895 WeakPolarHBondContact O-CA 3.25Å
896	L	96.6	Very high	95.4	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.5	162.1	-66.9	-176.3	0	0	0	109.8	H135 L136 H206 V207 L235 V832 E833 F894	H135-L896 WeakPolarHBondContact NE2-CD1 3.18Å; L136-L896 HydrophobicContact CB-CD1 4.32Å; L136-L896 HydrophobicContact CD2-CD2 4.28Å; H206-L896 WeakPolarHBondContact NE2-CD2 3.31Å; V207-L896 HydrophobicContact CG1-CB 4.06Å; L235-L896 HydrophobicContact CD2-CB 4.01Å; V832-L896 WeakPolarHBondContact CA-O 3.48Å; E833-L896 PolarHBondContact N-O 3.5Å; E833-L896 PolarHBondContact O-N 2.82Å; F894-L896 HydrophobicContact CE1-CD1 4.42Å; F894-L896 HydrophobicContact CE1-CD2 3.59Å; F894-L896 HydrophobicContact CE1-CG 3.71Å; F894-L896 HydrophobicContact CZ-CD2 3.65Å; F894-L896 HydrophobicContact CZ-CG 4.29Å
897	S	95.9	Very high	95.3	Very high	28 Å²	28	50.1 Å²	50.1	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.4	179	56.3	0	0	0	0	110.5	V207 N208 F831	V207-S897 VanDerWaalsContact CG1-O 3.25Å; V207-S897 WeakPolarHBondContact CG1-O 3.36Å; N208-S897 PolarHBondContact OD1-O 2.95Å; F831-S897 WeakPolarHBondContact O-CA 3.48Å
898	V	96.3	Very high	95.2	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.7	176.7	66.4	0	0	0	0	111.2	V207 L235 Y830 F831 H900	V207-V898 HydrophobicContact CG1-CB 4.18Å; V207-V898 HydrophobicContact CG2-CB 3.59Å; V207-V898 HydrophobicContact CG2-CG1 4.26Å; V207-V898 HydrophobicContact CG2-CG2 3.56Å; L235-V898 HydrophobicContact CD1-CG1 3.96Å; L235-V898 HydrophobicContact CD2-CG1 3.91Å; L235-V898 HydrophobicContact CG-CG1 4.33Å; Y830-V898 CarbonylContact C-O 3.55Å; Y830-V898 VanDerWaalsContact CA-O 3.22Å; Y830-V898 WeakPolarHBondContact CA-O 3.28Å; F831-V898 HydrophobicContact CB-CG1 4.29Å; F831-V898 HydrophobicContact CD1-CG1 4.49Å; F831-V898 PolarHBondContact N-O 3.22Å; F831-V898 PolarHBondContact O-N 2.91Å; V898-H900 PolarHBondContact O-N 3.27Å
899	F	96.4	Very high	95.1	Very high	26 Å²	26	42.8 Å²	42.8	11%	0.114	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	131.9	172.6	179.7	-102.1	0	0	0	111.9	T582 A583 V585 P828 Y830 W902	T582-F899 WeakPolarHBondContact OG1-CB 3.34Å; A583-F899 HydrophobicContact CB-CD1 3.72Å; A583-F899 HydrophobicContact CB-CE1 3.95Å; A583-F899 HydrophobicContact CB-CG 4.19Å; V585-F899 HydrophobicContact CG1-CD2 3.62Å; V585-F899 HydrophobicContact CG1-CE2 3.94Å; V585-F899 HydrophobicContact CG1-CG 4.13Å; V585-F899 HydrophobicContact CG2-CD2 4.23Å; P828-F899 HydrophobicContact CB-CD2 3.99Å; P828-F899 HydrophobicContact CB-CE2 3.73Å; Y830-F899 HydrophobicContact CD1-CB 4.21Å; Y830-F899 HydrophobicContact CE1-CB 3.93Å; F899-W902 HydrophobicContact CE2-CD2 4.33Å; F899-W902 AromaticContact CE2-CE2 3.93Å; F899-W902 HydrophobicContact CE2-CZ2 4.22Å; F899-W902 AromaticContact CE2-NE1 4Å; F899-W902 AromaticContact CZ-CD1 3.65Å; F899-W902 HydrophobicContact CZ-CD2 4.32Å; F899-W902 AromaticContact CZ-CE2 3.72Å; F899-W902 HydrophobicContact CZ-CG 4.29Å; F899-W902 HydrophobicContact CZ-CZ2 4.25Å; F899-W902 AromaticContact CZ-NE1 3.32Å; F899-W902 VanDerWaalsContact CZ-NE1 3.32Å
900	H	94.8	Very high	95	Very high	100 Å²	100	43.9 Å²	43.9	46%	0.463	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-55.6	179	-175	-69.4	0	0	0	112.8	Y829 F831 F872 V898	Y829-H900 PolarHBondContact O-N 2.93Å; Y829-H900 VanDerWaalsContact O-N 3.08Å; F831-H900 HydrophobicContact CB-CB 3.77Å; F872-H900 HydrophobicContact CE1-CB 4.12Å; F872-H900 AromaticContact CE1-CD2 3.86Å; F872-H900 AromaticContact CE1-CG 3.7Å; F872-H900 AromaticContact CE1-ND1 3.92Å; V898-H900 PolarHBondContact O-N 3.27Å
901	H	94.5	Very high	94.7	Very high	38 Å²	38	38.2 Å²	38.2	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	172.3	-175.1	66.9	-73.5	0	0	0	112.1	Y829 F872	Y829-H901 PolarHBondContact N-O 3.04Å; Y829-H901 PolarHBondContact O-N 3.42Å; F872-H901 AromaticContact CD1-CE1 3.73Å; F872-H901 AromaticContact CE1-CE1 3.73Å; F872-H901 AromaticContact CE1-ND1 3.85Å
902	W	95.3	Very high	94.5	Very high	33 Å²	33	41.2 Å²	41.2	13%	0.125	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.1	173.5	-61.7	91.8	0	0	0	109.6	V585 T659 C661 R783 M826 P828 F899	V585-W902 HydrophobicContact CG1-CH2 4.16Å; V585-W902 HydrophobicContact CG1-CZ2 4.1Å; T659-W902 WeakPolarHBondContact O-CH2 3.32Å; T659-W902 VanDerWaalsContact O-CZ3 3.28Å; T659-W902 WeakPolarHBondContact O-CZ3 3.33Å; C661-W902 HydrophobicContact CB-CD2 4.43Å; C661-W902 HydrophobicContact CB-CE3 4.17Å; C661-W902 HydrophobicContact CB-CZ3 4.35Å; R783-W902 VanDerWaalsContact NE-CD1 3.27Å; M826-W902 HydrophobicContact CB-CB 4.19Å; M826-W902 HydrophobicContact CB-CE3 4.36Å; M826-W902 HydrophobicContact CE-CB 3.61Å; M826-W902 WeakPolarHBondContact CE-O 3.12Å; M826-W902 HydrophobicContact SD-CB 4.2Å; P828-W902 HydrophobicContact CB-CD2 4.46Å; P828-W902 HydrophobicContact CB-CE3 3.92Å; P828-W902 HydrophobicContact CB-CH2 3.96Å; P828-W902 HydrophobicContact CB-CZ2 4.5Å; P828-W902 HydrophobicContact CB-CZ3 3.66Å; P828-W902 HydrophobicContact CG-CE3 4.38Å; P828-W902 HydrophobicContact CG-CH2 4.14Å; P828-W902 HydrophobicContact CG-CZ3 3.75Å; F899-W902 HydrophobicContact CE2-CD2 4.33Å; F899-W902 AromaticContact CE2-CE2 3.93Å; F899-W902 HydrophobicContact CE2-CZ2 4.22Å; F899-W902 AromaticContact CE2-NE1 4Å; F899-W902 AromaticContact CZ-CD1 3.65Å; F899-W902 HydrophobicContact CZ-CD2 4.32Å; F899-W902 AromaticContact CZ-CE2 3.72Å; F899-W902 HydrophobicContact CZ-CG 4.29Å; F899-W902 HydrophobicContact CZ-CZ2 4.25Å; F899-W902 AromaticContact CZ-NE1 3.32Å; F899-W902 VanDerWaalsContact CZ-NE1 3.32Å
903	Q	95.6	Very high	94.4	Very high	86 Å²	86	40.9 Å²	40.9	40%	0.402	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.5	176.2	-179.7	177.4	-18.1	0	0	110	M826 E827 Y829 V905	M826-Q903 CarbonylContact C-O 3.45Å; M826-Q903 WeakPolarHBondContact CA-O 3.27Å; E827-Q903 PolarHBondContact N-O 3.04Å; E827-Q903 PolarHBondContact O-N 3.08Å; Y829-Q903 HydrophobicContact CD2-CB 3.59Å; Y829-Q903 HydrophobicContact CE2-CB 3.52Å; Y829-Q903 HydrophobicContact CE2-CG 4.07Å; Y829-Q903 HydrophobicContact CG-CB 4.47Å; Q903-V905 PolarHBondContact O-N 3.15Å
904	I	96.6	Very high	94.1	Very high	70 Å²	70	42.5 Å²	42.5	36%	0.359	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129.2	179.3	-65.2	168.1	0	0	0	109.8	T663 V665 R824 L825 M826	T663-I904 HydrophobicContact CG2-CD1 4.32Å; T663-I904 HydrophobicContact CG2-CG1 3.98Å; V665-I904 HydrophobicContact CG1-CD1 3.74Å; R824-I904 HydrophobicContact CB-CG2 4.01Å; R824-I904 HydrophobicContact CG-CG2 4.26Å; L825-I904 WeakPolarHBondContact O-CA 3.32Å; M826-I904 HydrophobicContact CG-CG1 4.4Å
905	V	96.6	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.7	130.9	172.5	-174.9	0	0	0	0	108.5	L825 E827 Q903 G907 L927 A928 F931	L825-V905 HydrophobicContact CB-CB 4.39Å; L825-V905 HydrophobicContact CB-CG2 4.03Å; L825-V905 PolarHBondContact O-N 2.84Å; E827-V905 HydrophobicContact CB-CG2 3.68Å; E827-V905 HydrophobicContact CG-CG2 3.87Å; Q903-V905 PolarHBondContact O-N 3.15Å; V905-G907 PolarHBondContact O-N 3.2Å; V905-L927 HydrophobicContact CG1-CB 3.77Å; V905-A928 HydrophobicContact CB-CB 4.18Å; V905-A928 HydrophobicContact CG1-CB 3.94Å; V905-F931 HydrophobicContact CG1-CD2 3.88Å; V905-F931 HydrophobicContact CG1-CE2 4Å; V905-F931 HydrophobicContact CG2-CD2 4.2Å
906	P	94.9	Very high	93.8	Very high	53 Å²	53	47.4 Å²	47.4	34%	0.344	26%	0.258	S	S	.	.	S	Bend	trans	-62.4	137.2	175	-17.8	30.3	0	0	0	111.2	A924 A928	P906-A924 CarbonylContact C-O 3.6Å; P906-A924 HydrophobicContact CB-CB 4.5Å; P906-A924 WeakPolarHBondContact CB-O 3.25Å; P906-A928 PolarHBondContact O-N 2.97Å
907	G	92.8	Very high	93.5	Very high	25 Å²	25	54.2 Å²	54.2	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	109.1	-178.1	-178.1	0	0	0	0	0	114.3	R824 V905 P925	R824-G907 WeakPolarHBondContact CD-O 3.36Å; V905-G907 PolarHBondContact O-N 3.2Å; G907-P925 WeakPolarHBondContact CA-O 3.4Å
908	D	93.8	Very high	93	Very high	52 Å²	52	57.5 Å²	57.5	28%	0.278	30%	0.304	S	S	.	.			trans	-116.1	120.4	178.2	-166.5	-33.4	0	0	0	109.9	R824 L910 D911	R824-D908 IonicContact CZ-OD1 3.98Å; R824-D908 IonicContact CZ-OD2 3.42Å; R824-D908 VanDerWaalsContact CZ-OD2 3.32Å; R824-D908 IonicContact NH1-OD1 2.98Å; R824-D908 PolarHBondContact NH1-OD1 3.1Å; R824-D908 IonicContact NH1-OD2 3Å; R824-D908 PolarHBondContact NH1-OD2 3.29Å; R824-D908 IonicContact NH2-OD2 3.31Å; R824-D908 PolarHBondContact NH2-OD2 3.1Å; D908-L910 PolarHBondContact O-N 3.42Å; D908-L910 PolarHBondContact OD1-N 3.09Å; D908-D911 HydrophobicContact CB-CB 4.01Å; D908-D911 PolarHBondContact O-N 3.39Å
909	P	94.1	Very high	92.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.5	179.2	28	-34.4	0	0	0	113.3	L777 L825 A928 R929 M932	L777-P909 HydrophobicContact CD1-CG 4.2Å; L825-P909 HydrophobicContact CD1-CB 4.45Å; L825-P909 HydrophobicContact CG-CB 4.27Å; P909-A928 HydrophobicContact CB-CB 4.45Å; P909-R929 WeakPolarHBondContact O-CD 3.34Å; P909-R929 PolarHBondContact O-NH1 2.96Å; P909-M932 HydrophobicContact CB-CB 4Å; P909-M932 HydrophobicContact CB-CG 4.22Å; P909-M932 HydrophobicContact CB-SD 3.85Å; P909-M932 WeakPolarHBondContact O-CE 3.31Å
910	L	90.9	Very high	92.5	Very high	28 Å²	28	68.8 Å²	68.8	15%	0.147	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.6	-176.5	-62.5	-176.4	0	0	0	113.7	L777 P823 D908 K912 M932 V945	L777-L910 HydrophobicContact CD2-CD2 3.92Å; L777-L910 HydrophobicContact CD2-CG 4.37Å; P823-L910 HydrophobicContact CG-CD1 3.45Å; P823-L910 VanDerWaalsContact CG-CD1 3.45Å; P823-L910 HydrophobicContact CG-CG 4.19Å; D908-L910 PolarHBondContact O-N 3.42Å; D908-L910 PolarHBondContact OD1-N 3.09Å; L910-K912 PolarHBondContact O-N 3.24Å; L910-K912 VanDerWaalsContact O-N 3.15Å; L910-M932 HydrophobicContact CD2-SD 4.13Å; L910-V945 HydrophobicContact CD2-CB 4.22Å; L910-V945 HydrophobicContact CD2-CG2 4.19Å
911	D	90.6	Very high	92.2	Very high	59 Å²	59	69.9 Å²	69.9	32%	0.316	38%	0.378	S	S	.	.			trans	-76.5	103.3	179.8	-171.7	-4.2	0	0	0	112.1	D908 S913 I914 R929	D908-D911 HydrophobicContact CB-CB 4.01Å; D908-D911 PolarHBondContact O-N 3.39Å; D911-S913 VanDerWaalsContact C-N 3.29Å; D911-S913 VanDerWaalsContact CG-OG 3.27Å; D911-S913 PolarHBondContact O-N 3.02Å; D911-S913 VanDerWaalsContact OD1-CB 3.23Å; D911-S913 WeakPolarHBondContact OD1-CB 3.48Å; D911-S913 PolarHBondContact OD1-N 3.43Å; D911-S913 PolarHBondContact OD1-OG 2.76Å; D911-S913 PolarHBondContact OD2-OG 3.03Å; D911-I914 HydrophobicContact CB-CG1 4.4Å; D911-R929 WeakPolarHBondContact O-CD 3.39Å; D911-R929 PolarHBondContact O-NE 2.92Å
912	K	88.8	Confident	92.2	Very high	107 Å²	107	69.3 Å²	69.3	47%	0.465	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.4	177.4	-58	-169	-177.7	-146.8	0	114	L910 I914 D944	L910-K912 PolarHBondContact O-N 3.24Å; L910-K912 VanDerWaalsContact O-N 3.15Å; K912-I914 PolarHBondContact O-N 3.23Å; K912-D944 WeakPolarHBondContact CD-OD2 3.42Å; K912-D944 WeakPolarHBondContact CE-OD2 3.49Å; K912-D944 IonicContact NZ-OD2 3.66Å; K912-D944 PolarHBondContact NZ-OD2 2.57Å
913	S	91	Very high	92.1	Very high	92 Å²	92	71.5 Å²	71.5	64%	0.643	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.1	179.3	74.6	0	0	0	0	112.4	D911	D911-S913 VanDerWaalsContact C-N 3.29Å; D911-S913 VanDerWaalsContact CG-OG 3.27Å; D911-S913 PolarHBondContact O-N 3.02Å; D911-S913 VanDerWaalsContact OD1-CB 3.23Å; D911-S913 WeakPolarHBondContact OD1-CB 3.48Å; D911-S913 PolarHBondContact OD1-N 3.43Å; D911-S913 PolarHBondContact OD1-OG 2.76Å; D911-S913 PolarHBondContact OD2-OG 3.03Å
914	I	91.1	Very high	91.9	Very high	33 Å²	33	69.4 Å²	69.4	17%	0.169	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-88.9	118.2	-179.2	-54.3	-54.2	0	0	0	110.5	D911 K912 I916 H926 R929	D911-I914 HydrophobicContact CB-CG1 4.4Å; K912-I914 PolarHBondContact O-N 3.23Å; I914-I916 HydrophobicContact CG2-CD1 3.74Å; I914-H926 HydrophobicContact CG2-CB 3.89Å; I914-R929 HydrophobicContact CB-CG 4.5Å
915	V	90.4	Very high	91.8	Very high	127 Å²	127	70 Å²	70	77%	0.77	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-90.9	119.5	173	-177.9	0	0	0	0	109.3
916	I	92.1	Very high	91.6	Very high	32 Å²	32	73 Å²	73	16%	0.164	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-90.5	127	179.8	-54.9	-59.8	0	0	0	109.8	I914 Q922 R929 E930 I933	I914-I916 HydrophobicContact CG2-CD1 3.74Å; I916-Q922 HydrophobicContact CD1-CG 4.14Å; I916-Q922 HydrophobicContact CG2-CG 4.11Å; I916-R929 HydrophobicContact CD1-CB 4.27Å; I916-R929 HydrophobicContact CD1-CG 4.12Å; I916-R929 HydrophobicContact CG1-CG 4.1Å; I916-E930 HydrophobicContact CD1-CB 4.14Å; I916-E930 HydrophobicContact CG2-CB 4.14Å; I916-E930 HydrophobicContact CG2-CG 4.02Å; I916-I933 HydrophobicContact CG1-CD1 4.08Å
917	R	90.6	Very high	91.6	Very high	146 Å²	146	71.2 Å²	71.2	55%	0.551	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-84.5	134.4	174	-67.9	173.9	179.5	-172.6	-2.3	109.6	L919 E920	R917-L919 PolarHBondContact O-N 3.3Å; R917-E920 HydrophobicContact CB-CB 4.15Å; R917-E920 HydrophobicContact CB-CG 4.49Å; R917-E920 WeakPolarHBondContact CD-OE2 3.44Å; R917-E920 IonicContact CZ-OE2 2.63Å; R917-E920 IonicContact NE-OE2 3.94Å; R917-E920 IonicContact NH1-OE1 3.48Å; R917-E920 PolarHBondContact NH1-OE1 3.32Å; R917-E920 IonicContact NH1-OE2 2.8Å; R917-E920 PolarHBondContact NH1-OE2 2.8Å
918	P	86.2	Confident	91.7	Very high	97 Å²	97	70 Å²	70	63%	0.63	39%	0.388	S	S	*	.	S	Bend	trans	-60.1	-41.8	-170.2	-28	35.3	0	0	0	115.8	K934	P918-K934 PolarHBondContact O-NZ 3.23Å
919	L	90.2	Very high	91.8	Very high	170 Å²	170	68.1 Å²	68.1	89%	0.89	38%	0.377	S	S	*	.	S	Bend	trans	-111.3	-0.7	-169.9	-66.5	174.3	0	0	0	114.5	R917	R917-L919 PolarHBondContact O-N 3.3Å
920	E	91.1	Very high	91.8	Very high	97 Å²	97	68.8 Å²	68.8	45%	0.453	38%	0.381	S	S	.	.	S	Bend	trans	-98.2	125.9	177.3	-70.1	-176.3	-177.6	0	0	110.2	R917 Q922	R917-E920 HydrophobicContact CB-CB 4.15Å; R917-E920 HydrophobicContact CB-CG 4.49Å; R917-E920 WeakPolarHBondContact CD-OE2 3.44Å; R917-E920 IonicContact CZ-OE2 2.63Å; R917-E920 IonicContact NE-OE2 3.94Å; R917-E920 IonicContact NH1-OE1 3.48Å; R917-E920 PolarHBondContact NH1-OE1 3.32Å; R917-E920 IonicContact NH1-OE2 2.8Å; R917-E920 PolarHBondContact NH1-OE2 2.8Å; E920-Q922 PolarHBondContact O-N 2.82Å; E920-Q922 PolarHBondContact O-NE2 2.96Å
921	P	90.3	Very high	92	Very high	122 Å²	122	68.3 Å²	68.3	79%	0.792	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-58	126.1	171.5	-22.7	32.8	0	0	0	110.6
922	Q	93.3	Very high	92.3	Very high	27 Å²	27	65.5 Å²	65.5	13%	0.126	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-80.8	149.2	-176.5	-59.3	-61.9	-49.2	0	0	112	I916 E920 H926 L927 E930	I916-Q922 HydrophobicContact CD1-CG 4.14Å; I916-Q922 HydrophobicContact CG2-CG 4.11Å; E920-Q922 PolarHBondContact O-N 2.82Å; E920-Q922 PolarHBondContact O-NE2 2.96Å; Q922-H926 HydrophobicContact CB-CB 4.43Å; Q922-L927 HydrophobicContact CB-CD2 4.31Å; Q922-L927 WeakPolarHBondContact O-CD2 3.16Å; Q922-E930 WeakPolarHBondContact CB-OE2 3.35Å; Q922-E930 HydrophobicContact CG-CB 4.15Å; Q922-E930 HydrophobicContact CG-CG 4.28Å; Q922-E930 WeakPolarHBondContact CG-OE2 3.34Å; Q922-E930 PolarHBondContact N-OE2 2.8Å
923	P	92.8	Very high	92.5	Very high	78 Å²	78	60.8 Å²	60.8	51%	0.506	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-63.3	155.5	171.2	-21.1	33.5	0	0	0	112.2	P925 H926	P923-P925 VanDerWaalsContact C-CD 3.41Å; P923-P925 VanDerWaalsContact O-N 3.11Å; P923-H926 PolarHBondContact O-N 3.39Å
924	A	91.8	Very high	92.6	Very high	43 Å²	43	60.7 Å²	60.7	36%	0.355	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-46	-46.2	-176	0	0	0	0	0	115.4	P906 H926 L927	P906-A924 CarbonylContact C-O 3.6Å; P906-A924 HydrophobicContact CB-CB 4.5Å; P906-A924 WeakPolarHBondContact CB-O 3.25Å; A924-H926 PolarHBondContact O-N 3.02Å; A924-L927 HydrophobicContact CB-CD1 4.43Å; A924-L927 PolarHBondContact O-N 3.45Å
925	P	93.6	Very high	92.7	Very high	82 Å²	82	60 Å²	60	53%	0.532	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.6	-15.5	-177.1	-22.6	35	0	0	0	115.4	G907 P923	G907-P925 WeakPolarHBondContact CA-O 3.4Å; P923-P925 VanDerWaalsContact C-CD 3.41Å; P923-P925 VanDerWaalsContact O-N 3.11Å
926	H	93.9	Very high	92.8	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.296	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-112.1	-1.7	-175.6	-58	169.9	0	0	0	112.7	I914 Q922 P923 A924 A928 R929 E930	I914-H926 HydrophobicContact CG2-CB 3.89Å; Q922-H926 HydrophobicContact CB-CB 4.43Å; P923-H926 PolarHBondContact O-N 3.39Å; A924-H926 PolarHBondContact O-N 3.02Å; H926-A928 VanDerWaalsContact C-N 3.34Å; H926-A928 PolarHBondContact O-N 2.56Å; H926-R929 PolarHBondContact O-N 2.7Å; H926-E930 PolarHBondContact O-N 2.8Å
927	L	94.7	Very high	92.7	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-39.6	-175.3	-74.4	176.9	0	0	0	112.6	V905 Q922 A924 R929 E930 F931	V905-L927 HydrophobicContact CG1-CB 3.77Å; Q922-L927 HydrophobicContact CB-CD2 4.31Å; Q922-L927 WeakPolarHBondContact O-CD2 3.16Å; A924-L927 HydrophobicContact CB-CD1 4.43Å; A924-L927 PolarHBondContact O-N 3.45Å; L927-R929 PolarHBondContact O-N 3.09Å; L927-E930 PolarHBondContact O-N 2.86Å; L927-F931 HydrophobicContact CB-CD2 4.48Å; L927-F931 HydrophobicContact CB-CE2 4.1Å; L927-F931 HydrophobicContact CB-CZ 4.33Å; L927-F931 HydrophobicContact CD2-CE1 4.3Å; L927-F931 HydrophobicContact CD2-CZ 4Å; L927-F931 WeakPolarHBondContact O-CG 3.38Å; L927-F931 PolarHBondContact O-N 2.99Å
928	A	95.4	Very high	92.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-38.9	179.1	0	0	0	0	0	112.2	L825 V905 P906 P909 H926 M932	L825-A928 WeakPolarHBondContact CD1-O 3.31Å; V905-A928 HydrophobicContact CB-CB 4.18Å; V905-A928 HydrophobicContact CG1-CB 3.94Å; P906-A928 PolarHBondContact O-N 2.97Å; P909-A928 HydrophobicContact CB-CB 4.45Å; H926-A928 VanDerWaalsContact C-N 3.34Å; H926-A928 PolarHBondContact O-N 2.56Å; A928-M932 WeakPolarHBondContact O-CB 3.36Å; A928-M932 PolarHBondContact O-N 3.43Å
929	R	94.8	Very high	92.8	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.045	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-43.1	177.7	-177	61.8	177.4	171.1	7.5	111.7	P909 D911 I914 I916 H926 L927 M932 I933 D944	P909-R929 WeakPolarHBondContact O-CD 3.34Å; P909-R929 PolarHBondContact O-NH1 2.96Å; D911-R929 WeakPolarHBondContact O-CD 3.39Å; D911-R929 PolarHBondContact O-NE 2.92Å; I914-R929 HydrophobicContact CB-CG 4.5Å; I916-R929 HydrophobicContact CD1-CB 4.27Å; I916-R929 HydrophobicContact CD1-CG 4.12Å; I916-R929 HydrophobicContact CG1-CG 4.1Å; H926-R929 PolarHBondContact O-N 2.7Å; L927-R929 PolarHBondContact O-N 3.09Å; R929-M932 PolarHBondContact O-N 2.7Å; R929-I933 HydrophobicContact CG-CD1 3.98Å; R929-I933 VanDerWaalsContact NE-CD1 3.32Å; R929-I933 WeakPolarHBondContact O-CG1 3.34Å; R929-I933 PolarHBondContact O-N 2.86Å; R929-D944 IonicContact CZ-OD1 2.69Å; R929-D944 VanDerWaalsContact CZ-OD1 3.22Å; R929-D944 IonicContact NH1-OD1 2.78Å; R929-D944 PolarHBondContact NH1-OD1 3Å; R929-D944 IonicContact NH2-OD1 2.78Å; R929-D944 PolarHBondContact NH2-OD1 3.36Å; R929-D944 IonicContact NH2-OD2 3.63Å
930	E	94.9	Very high	92.7	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.065	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-53.1	174.7	178.6	179.5	-168.9	0	0	111.4	I916 Q922 H926 L927 M932 I933 K934	I916-E930 HydrophobicContact CD1-CB 4.14Å; I916-E930 HydrophobicContact CG2-CB 4.14Å; I916-E930 HydrophobicContact CG2-CG 4.02Å; Q922-E930 WeakPolarHBondContact CB-OE2 3.35Å; Q922-E930 HydrophobicContact CG-CB 4.15Å; Q922-E930 HydrophobicContact CG-CG 4.28Å; Q922-E930 WeakPolarHBondContact CG-OE2 3.34Å; Q922-E930 PolarHBondContact N-OE2 2.8Å; H926-E930 PolarHBondContact O-N 2.8Å; L927-E930 PolarHBondContact O-N 2.86Å; E930-M932 VanDerWaalsContact C-N 3.33Å; E930-M932 PolarHBondContact O-N 2.87Å; E930-I933 PolarHBondContact O-N 3.34Å; E930-K934 HydrophobicContact CG-CD 3.84Å; E930-K934 HydrophobicContact CG-CG 4.39Å; E930-K934 WeakPolarHBondContact O-CB 3.42Å; E930-K934 WeakPolarHBondContact O-CG 3.47Å; E930-K934 PolarHBondContact O-N 3.14Å; E930-K934 WeakPolarHBondContact OE1-CE 3.43Å; E930-K934 IonicContact OE1-NZ 2.71Å; E930-K934 PolarHBondContact OE1-NZ 2.87Å
931	F	95.4	Very high	92.6	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-37.2	-177.4	-64.8	-19.5	0	0	0	112.2	F660 L825 I876 V905 L927 T935	F660-F931 HydrophobicContact CE1-CB 4.09Å; F660-F931 AromaticContact CE1-CD2 3.56Å; F660-F931 HydrophobicContact CE1-CD2 3.56Å; F660-F931 HydrophobicContact CE1-CE2 4.15Å; F660-F931 AromaticContact CE1-CG 3.93Å; F660-F931 HydrophobicContact CE1-CG 3.93Å; F660-F931 HydrophobicContact CE2-CB 4.11Å; F660-F931 HydrophobicContact CE2-CG 4.46Å; F660-F931 HydrophobicContact CZ-CB 3.7Å; F660-F931 HydrophobicContact CZ-CD1 4.18Å; F660-F931 AromaticContact CZ-CD2 3.73Å; F660-F931 HydrophobicContact CZ-CD2 3.73Å; F660-F931 HydrophobicContact CZ-CE2 4.38Å; F660-F931 AromaticContact CZ-CG 3.61Å; F660-F931 HydrophobicContact CZ-CG 3.61Å; L825-F931 HydrophobicContact CD1-CB 4.13Å; I876-F931 HydrophobicContact CD1-CD1 4.27Å; I876-F931 HydrophobicContact CD1-CE1 3.62Å; I876-F931 HydrophobicContact CD1-CZ 3.81Å; I876-F931 HydrophobicContact CG2-CZ 4.16Å; V905-F931 HydrophobicContact CG1-CD2 3.88Å; V905-F931 HydrophobicContact CG1-CE2 4Å; V905-F931 HydrophobicContact CG2-CD2 4.2Å; L927-F931 HydrophobicContact CB-CD2 4.48Å; L927-F931 HydrophobicContact CB-CE2 4.1Å; L927-F931 HydrophobicContact CB-CZ 4.33Å; L927-F931 HydrophobicContact CD2-CE1 4.3Å; L927-F931 HydrophobicContact CD2-CZ 4Å; L927-F931 WeakPolarHBondContact O-CG 3.38Å; L927-F931 PolarHBondContact O-N 2.99Å; F931-T935 WeakPolarHBondContact O-CB 3.25Å; F931-T935 PolarHBondContact O-N 3.48Å; F931-T935 VanDerWaalsContact O-N 3.09Å; F931-T935 PolarHBondContact O-OG1 3.32Å
932	M	95.2	Very high	92.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-54.7	175.2	-167.5	-157.8	67.4	0	0	111	L825 P909 L910 A928 R929 E930 K934 T935 R936 V945	L825-M932 HydrophobicContact CD1-CB 3.88Å; P909-M932 HydrophobicContact CB-CB 4Å; P909-M932 HydrophobicContact CB-CG 4.22Å; P909-M932 HydrophobicContact CB-SD 3.85Å; P909-M932 WeakPolarHBondContact O-CE 3.31Å; L910-M932 HydrophobicContact CD2-SD 4.13Å; A928-M932 WeakPolarHBondContact O-CB 3.36Å; A928-M932 PolarHBondContact O-N 3.43Å; R929-M932 PolarHBondContact O-N 2.7Å; E930-M932 VanDerWaalsContact C-N 3.33Å; E930-M932 PolarHBondContact O-N 2.87Å; M932-K934 PolarHBondContact O-N 2.74Å; M932-T935 PolarHBondContact O-N 3.22Å; M932-R936 HydrophobicContact CG-CG 4.45Å; M932-R936 WeakPolarHBondContact O-CB 3.4Å; M932-R936 VanDerWaalsContact O-CG 3.27Å; M932-R936 WeakPolarHBondContact O-CG 3.2Å; M932-R936 PolarHBondContact O-N 3.07Å; M932-V945 HydrophobicContact SD-CG2 4.28Å
933	I	93.8	Very high	92.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-48.2	-177	-69.9	166.3	0	0	0	110.9	I916 R929 E930 T935 R936 R937 E943	I916-I933 HydrophobicContact CG1-CD1 4.08Å; R929-I933 HydrophobicContact CG-CD1 3.98Å; R929-I933 VanDerWaalsContact NE-CD1 3.32Å; R929-I933 WeakPolarHBondContact O-CG1 3.34Å; R929-I933 PolarHBondContact O-N 2.86Å; E930-I933 PolarHBondContact O-N 3.34Å; I933-T935 VanDerWaalsContact C-N 3.34Å; I933-T935 PolarHBondContact O-N 3.13Å; I933-R936 PolarHBondContact O-N 3.23Å; I933-R937 HydrophobicContact CG2-CG 4.26Å; I933-R937 WeakPolarHBondContact O-CG 3.27Å; I933-R937 PolarHBondContact O-N 2.8Å; I933-E943 HydrophobicContact CG1-CG 4.36Å; I933-E943 HydrophobicContact CG2-CG 3.99Å
934	K	92.6	Very high	91.6	Very high	90 Å²	90	41.4 Å²	41.4	39%	0.391	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-42	-178	-73.8	-174.7	173.5	179.3	0	111.7	P918 E930 M932 R938	P918-K934 PolarHBondContact O-NZ 3.23Å; E930-K934 HydrophobicContact CG-CD 3.84Å; E930-K934 HydrophobicContact CG-CG 4.39Å; E930-K934 WeakPolarHBondContact O-CB 3.42Å; E930-K934 WeakPolarHBondContact O-CG 3.47Å; E930-K934 PolarHBondContact O-N 3.14Å; E930-K934 WeakPolarHBondContact OE1-CE 3.43Å; E930-K934 IonicContact OE1-NZ 2.71Å; E930-K934 PolarHBondContact OE1-NZ 2.87Å; M932-K934 PolarHBondContact O-N 2.74Å; K934-R938 PolarHBondContact O-N 3.1Å; K934-R938 VanDerWaalsContact O-N 3.09Å
935	T	92.9	Very high	91.1	Very high	18 Å²	18	39.9 Å²	39.9	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176.9	-54.2	0	0	0	0	111.5	C778 F931 M932 I933 R938 K939	C778-T935 HydrophobicContact CB-CG2 3.85Å; F931-T935 WeakPolarHBondContact O-CB 3.25Å; F931-T935 PolarHBondContact O-N 3.48Å; F931-T935 VanDerWaalsContact O-N 3.09Å; F931-T935 PolarHBondContact O-OG1 3.32Å; M932-T935 PolarHBondContact O-N 3.22Å; I933-T935 VanDerWaalsContact C-N 3.34Å; I933-T935 PolarHBondContact O-N 3.13Å; T935-R938 PolarHBondContact O-N 3.02Å; T935-K939 PolarHBondContact O-N 3.07Å
936	R	92.8	Very high	90.1	Very high	13 Å²	13	38.3 Å²	38.3	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-45.7	177.2	-72.9	-178.3	73.7	69.5	7.6	112.2	L777 C778 M932 I933 R938 K939 G940 L941 S942 E943 D944	L777-R936 WeakPolarHBondContact O-CD 3.46Å; L777-R936 VanDerWaalsContact O-CG 3.31Å; L777-R936 WeakPolarHBondContact O-CG 3.3Å; L777-R936 PolarHBondContact O-NH1 3.16Å; C778-R936 HydrophobicContact CB-CG 4.08Å; M932-R936 HydrophobicContact CG-CG 4.45Å; M932-R936 WeakPolarHBondContact O-CB 3.4Å; M932-R936 VanDerWaalsContact O-CG 3.27Å; M932-R936 WeakPolarHBondContact O-CG 3.2Å; M932-R936 PolarHBondContact O-N 3.07Å; I933-R936 PolarHBondContact O-N 3.23Å; R936-R938 PolarHBondContact O-N 2.9Å; R936-K939 PolarHBondContact O-N 3.22Å; R936-G940 PolarHBondContact O-N 3.31Å; R936-L941 HydrophobicContact CB-CB 4.14Å; R936-L941 HydrophobicContact CG-CB 4.48Å; R936-L941 HydrophobicContact CG-CD1 4.31Å; R936-L941 PolarHBondContact O-N 3.46Å; R936-S942 PolarHBondContact NE-O 3.29Å; R936-S942 PolarHBondContact NH2-O 3.21Å; R936-S942 PolarHBondContact NH2-OG 3.31Å; R936-E943 WeakPolarHBondContact CD-O 3.29Å; R936-E943 PolarHBondContact NE-O 3.3Å; R936-D944 PolarHBondContact NH2-O 3.05Å
937	R	91.1	Very high	88.9	Confident	141 Å²	141	37.3 Å²	37.3	53%	0.532	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-44.7	176.4	-72.4	-179.1	-172.3	179	2.9	111.8	I933 K939 G940 E943	I933-R937 HydrophobicContact CG2-CG 4.26Å; I933-R937 WeakPolarHBondContact O-CG 3.27Å; I933-R937 PolarHBondContact O-N 2.8Å; R937-K939 VanDerWaalsContact C-N 3.31Å; R937-K939 PolarHBondContact O-N 2.8Å; R937-G940 PolarHBondContact O-N 2.93Å; R937-G940 VanDerWaalsContact O-N 3.11Å; R937-E943 IonicContact CZ-OE1 3.34Å; R937-E943 IonicContact NE-OE1 2.75Å; R937-E943 IonicContact NH2-OE1 3.46Å; R937-E943 PolarHBondContact NH2-OE1 3.23Å; R937-E943 IonicContact NH2-OE2 3.24Å
938	R	88.3	Confident	87.5	Confident	59 Å²	59	40.4 Å²	40.4	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-38.3	177	-178.9	175.9	-96.1	177.6	-5.3	112.5	S622 E624 K934 T935 R936 G940	S622-R938 PolarHBondContact OG-O 2.8Å; E624-R938 VanDerWaalsContact OE2-CG 3.27Å; E624-R938 WeakPolarHBondContact OE2-CG 3.43Å; E624-R938 IonicContact OE2-NE 3.48Å; K934-R938 PolarHBondContact O-N 3.1Å; K934-R938 VanDerWaalsContact O-N 3.09Å; T935-R938 PolarHBondContact O-N 3.02Å; R936-R938 PolarHBondContact O-N 2.9Å; R938-G940 PolarHBondContact O-N 3.24Å
939	K	88.9	Confident	86.4	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.039	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.8	177	-71.2	-171.1	179	176.8	0	114.5	C778 D779 E780 T935 R936 R937 L941	C778-K939 WeakPolarHBondContact O-CD 3.33Å; C778-K939 WeakPolarHBondContact O-CE 3.22Å; C778-K939 PolarHBondContact O-NZ 3.43Å; D779-K939 HydrophobicContact CB-CD 3.96Å; D779-K939 PolarHBondContact O-NZ 2.83Å; E780-K939 VanDerWaalsContact CD-NZ 3.32Å; E780-K939 WeakPolarHBondContact OE1-CE 3.44Å; E780-K939 IonicContact OE1-NZ 3.55Å; E780-K939 PolarHBondContact OE1-NZ 3.28Å; T935-K939 PolarHBondContact O-N 3.07Å; R936-K939 PolarHBondContact O-N 3.22Å; R937-K939 VanDerWaalsContact C-N 3.31Å; R937-K939 PolarHBondContact O-N 2.8Å; K939-L941 VanDerWaalsContact C-N 3.29Å; K939-L941 HydrophobicContact CB-CD1 4.14Å; K939-L941 HydrophobicContact CB-CG 3.96Å
940	G	88.2	Confident	85.5	Confident	60 Å²	60	47.4 Å²	47.4	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	15.8	-175.5	0	0	0	0	0	114.1	R936 R937 R938	R936-G940 PolarHBondContact O-N 3.31Å; R937-G940 PolarHBondContact O-N 2.93Å; R937-G940 VanDerWaalsContact O-N 3.11Å; R938-G940 PolarHBondContact O-N 3.24Å
941	L	89.1	Confident	84.7	Confident	26 Å²	26	47 Å²	47	14%	0.136	25%	0.249	C	C	.	.			trans	-81.7	157.9	177.9	-57.7	174.5	0	0	0	111.2	D779 R936 K939 E943	D779-L941 HydrophobicContact CB-CD1 4.31Å; D779-L941 WeakPolarHBondContact OD2-CD1 3.3Å; D779-L941 WeakPolarHBondContact OD2-CD2 3.46Å; R936-L941 HydrophobicContact CB-CB 4.14Å; R936-L941 HydrophobicContact CG-CB 4.48Å; R936-L941 HydrophobicContact CG-CD1 4.31Å; R936-L941 PolarHBondContact O-N 3.46Å; K939-L941 VanDerWaalsContact C-N 3.29Å; K939-L941 HydrophobicContact CB-CD1 4.14Å; K939-L941 HydrophobicContact CB-CG 3.96Å; L941-E943 PolarHBondContact O-N 2.9Å
942	S	89.1	Confident	83.6	Confident	64 Å²	64	47.5 Å²	47.5	45%	0.448	25%	0.252	S	S	.	.			trans	-54.7	141.2	170.4	61.8	0	0	0	0	110.7	R936 D944	R936-S942 PolarHBondContact NE-O 3.29Å; R936-S942 PolarHBondContact NH2-O 3.21Å; R936-S942 PolarHBondContact NH2-OG 3.31Å; S942-D944 VanDerWaalsContact C-N 3.3Å; S942-D944 PolarHBondContact O-N 3.36Å; S942-D944 PolarHBondContact OG-O 3.38Å
943	E	83.8	Confident	82.4	Confident	92 Å²	92	53.5 Å²	53.5	43%	0.43	28%	0.284	S	S	.	.	S	Bend	trans	-55.7	-44.1	-174.1	-178.7	166.8	-165.8	0	0	113.3	I933 R936 R937 L941	I933-E943 HydrophobicContact CG1-CG 4.36Å; I933-E943 HydrophobicContact CG2-CG 3.99Å; R936-E943 WeakPolarHBondContact CD-O 3.29Å; R936-E943 PolarHBondContact NE-O 3.3Å; R937-E943 IonicContact CZ-OE1 3.34Å; R937-E943 IonicContact NE-OE1 2.75Å; R937-E943 IonicContact NH2-OE1 3.46Å; R937-E943 PolarHBondContact NH2-OE1 3.23Å; R937-E943 IonicContact NH2-OE2 3.24Å; L941-E943 PolarHBondContact O-N 2.9Å
944	D	83.8	Confident	81.3	Confident	43 Å²	43	56 Å²	56	23%	0.23	30%	0.301	C	S	.	.	S	Bend	trans	-101	151.4	173.1	-88.7	-35.9	0	0	0	112.2	K912 R929 R936 S942 S946	K912-D944 WeakPolarHBondContact CD-OD2 3.42Å; K912-D944 WeakPolarHBondContact CE-OD2 3.49Å; K912-D944 IonicContact NZ-OD2 3.66Å; K912-D944 PolarHBondContact NZ-OD2 2.57Å; R929-D944 IonicContact CZ-OD1 2.69Å; R929-D944 VanDerWaalsContact CZ-OD1 3.22Å; R929-D944 IonicContact NH1-OD1 2.78Å; R929-D944 PolarHBondContact NH1-OD1 3Å; R929-D944 IonicContact NH2-OD1 2.78Å; R929-D944 PolarHBondContact NH2-OD1 3.36Å; R929-D944 IonicContact NH2-OD2 3.63Å; R936-D944 PolarHBondContact NH2-O 3.05Å; S942-D944 VanDerWaalsContact C-N 3.3Å; S942-D944 PolarHBondContact O-N 3.36Å; S942-D944 PolarHBondContact OG-O 3.38Å; D944-S946 PolarHBondContact O-N 2.75Å
945	V	81.2	Confident	80.3	Confident	11 Å²	11	51.9 Å²	51.9	7%	0.067	28%	0.283	C	S	.	.			trans	-75.3	110.5	166.6	-175.5	0	0	0	0	108	L777 L819 L910 M932 I947 F950	L777-V945 HydrophobicContact CD2-CG2 4.33Å; L819-V945 HydrophobicContact CD1-CG1 4.01Å; L819-V945 HydrophobicContact CD2-CG1 3.98Å; L910-V945 HydrophobicContact CD2-CB 4.22Å; L910-V945 HydrophobicContact CD2-CG2 4.19Å; M932-V945 HydrophobicContact SD-CG2 4.28Å; V945-I947 PolarHBondContact O-N 3.25Å; V945-F950 HydrophobicContact CG1-CE2 4.18Å
946	S	71.5	Confident	79.4	Confident	49 Å²	49	53.7 Å²	53.7	34%	0.343	29%	0.292	S	S	.	.			trans	-80.7	115.3	174	52.4	0	0	0	0	110.1	D944 S948 K949	D944-S946 PolarHBondContact O-N 2.75Å; S946-S948 PolarHBondContact O-N 3.18Å; S946-K949 WeakPolarHBondContact O-CB 3.14Å; S946-K949 PolarHBondContact O-N 3.22Å; S946-K949 WeakPolarHBondContact OG-CB 3.36Å
947	I	70.3	Confident	78.4	Confident	42 Å²	42	58 Å²	58	22%	0.215	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.4	-34.2	175.7	-56.7	175.5	0	0	0	109.6	M820 V945 K949 F950 F951 Y968	M820-I947 HydrophobicContact CE-CG2 4.15Å; V945-I947 PolarHBondContact O-N 3.25Å; I947-K949 PolarHBondContact O-N 2.94Å; I947-K949 VanDerWaalsContact O-N 3.1Å; I947-F950 PolarHBondContact O-N 3.04Å; I947-F951 HydrophobicContact CG2-CD2 3.57Å; I947-F951 HydrophobicContact CG2-CE1 4.42Å; I947-F951 HydrophobicContact CG2-CE2 3.37Å; I947-F951 HydrophobicContact CG2-CG 4.16Å; I947-F951 HydrophobicContact CG2-CZ 3.86Å; I947-F951 WeakPolarHBondContact O-CD2 3.25Å; I947-Y968 HydrophobicContact CD1-CD2 4.32Å; I947-Y968 HydrophobicContact CD1-CE2 3.72Å
948	S	65.2	Low	77.4	Confident	80 Å²	80	55.4 Å²	55.4	56%	0.559	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.4	-20.6	175.8	53.1	0	0	0	0	114.9	S946 F950	S946-S948 PolarHBondContact O-N 3.18Å; S948-F950 VanDerWaalsContact C-N 3.33Å; S948-F950 PolarHBondContact O-N 2.88Å
949	K	71.5	Confident	76.5	Confident	134 Å²	134	53.6 Å²	53.6	58%	0.583	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-68.6	-31.4	-179.5	-172.9	176	179.9	-177.4	0	112.8	S946 I947	S946-K949 WeakPolarHBondContact O-CB 3.14Å; S946-K949 PolarHBondContact O-N 3.22Å; S946-K949 WeakPolarHBondContact OG-CB 3.36Å; I947-K949 PolarHBondContact O-N 2.94Å; I947-K949 VanDerWaalsContact O-N 3.1Å
950	F	76	Confident	75.5	Confident	24 Å²	24	56.2 Å²	56.2	11%	0.105	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-16.8	-169.9	-56.2	-64.9	0	0	0	113.7	P776 R812 Y815 L819 V945 I947 S948	P776-F950 HydrophobicContact CB-CE2 4.39Å; R812-F950 PolarHBondContact NH2-O 3.17Å; R812-F950 VanDerWaalsContact NH2-O 3.16Å; Y815-F950 AromaticContact CD2-CD1 3.66Å; Y815-F950 HydrophobicContact CD2-CD1 3.66Å; Y815-F950 AromaticContact CD2-CE1 3.5Å; Y815-F950 HydrophobicContact CD2-CE1 3.5Å; Y815-F950 VanDerWaalsContact CD2-CE1 3.5Å; Y815-F950 HydrophobicContact CD2-CG 4.44Å; Y815-F950 HydrophobicContact CD2-CZ 4.15Å; Y815-F950 HydrophobicContact CE2-CE1 4.01Å; Y815-F950 HydrophobicContact CG-CD1 4.41Å; Y815-F950 HydrophobicContact CG-CE1 4.43Å; L819-F950 HydrophobicContact CD1-CD2 3.66Å; L819-F950 HydrophobicContact CD1-CE2 4.14Å; V945-F950 HydrophobicContact CG1-CE2 4.18Å; I947-F950 PolarHBondContact O-N 3.04Å; S948-F950 VanDerWaalsContact C-N 3.33Å; S948-F950 PolarHBondContact O-N 2.88Å
951	F	78.4	Confident	74.4	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.026	33%	0.333	C	S	.	.	S	Bend	trans	-98.8	136.3	-174.5	-69	-114.4	0	0	0	110.2	M820 I947 M955 L956 L959	M820-F951 HydrophobicContact CE-CD1 4.45Å; M820-F951 HydrophobicContact CE-CE1 3.39Å; M820-F951 HydrophobicContact CE-CE2 4.32Å; M820-F951 HydrophobicContact CE-CZ 3.31Å; M820-F951 HydrophobicContact CG-CE1 4.13Å; M820-F951 HydrophobicContact CG-CZ 3.85Å; M820-F951 HydrophobicContact SD-CZ 4.42Å; I947-F951 HydrophobicContact CG2-CD2 3.57Å; I947-F951 HydrophobicContact CG2-CE1 4.42Å; I947-F951 HydrophobicContact CG2-CE2 3.37Å; I947-F951 HydrophobicContact CG2-CG 4.16Å; I947-F951 HydrophobicContact CG2-CZ 3.86Å; I947-F951 WeakPolarHBondContact O-CD2 3.25Å; F951-M955 HydrophobicContact CD1-CB 4.46Å; F951-M955 HydrophobicContact CD1-CE 3.41Å; F951-M955 VanDerWaalsContact CD1-CE 3.41Å; F951-M955 HydrophobicContact CD1-CG 3.82Å; F951-M955 HydrophobicContact CD1-SD 3.37Å; F951-M955 WeakPolarHBondContact CD1-SD 3.42Å; F951-M955 HydrophobicContact CE1-CE 3.21Å; F951-M955 HydrophobicContact CE1-SD 3.8Å; F951-M955 HydrophobicContact CG-SD 4.28Å; F951-M955 HydrophobicContact CZ-CE 4.39Å; F951-L956 HydrophobicContact CB-CD2 3.72Å; F951-L956 HydrophobicContact CB-CG 3.86Å; F951-L956 HydrophobicContact CG-CD2 4.37Å; F951-L959 HydrophobicContact CD1-CD1 3.56Å; F951-L959 HydrophobicContact CE1-CD1 3.75Å; F951-L959 HydrophobicContact CG-CD1 4.4Å
952	D	72.2	Confident	73.1	Confident	29 Å²	29	64.3 Å²	64.3	16%	0.155	35%	0.346	C	S	.	.			trans	-73.5	153.2	172.1	-64.4	-48	0	0	0	110.7	A674 E675 R812 P954 M955 L956	A674-D952 WeakPolarHBondContact CA-OD2 3.36Å; E675-D952 PolarHBondContact N-OD2 2.92Å; R812-D952 IonicContact CZ-OD1 3.01Å; R812-D952 IonicContact NH1-OD1 3.34Å; R812-D952 PolarHBondContact NH1-OD1 3.13Å; R812-D952 IonicContact NH1-OD2 2.87Å; R812-D952 VanDerWaalsContact NH2-CG 3.34Å; R812-D952 IonicContact NH2-OD1 2.69Å; R812-D952 PolarHBondContact NH2-OD1 3.46Å; R812-D952 IonicContact NH2-OD2 2.8Å; D952-P954 VanDerWaalsContact C-N 3.29Å; D952-P954 VanDerWaalsContact O-N 3.16Å; D952-M955 WeakPolarHBondContact O-CA 3.47Å; D952-M955 WeakPolarHBondContact O-CB 3.48Å; D952-M955 PolarHBondContact O-N 3.32Å; D952-L956 PolarHBondContact O-N 2.97Å
953	D	69.6	Low	71.4	Confident	125 Å²	125	68.2 Å²	68.2	67%	0.668	36%	0.362	S	S	*	.	H	α-helix	trans	-47.7	-42.1	176.8	-60.7	-28.6	0	0	0	114.1	M955 L956 L957	D953-M955 VanDerWaalsContact C-N 3.27Å; D953-M955 PolarHBondContact O-N 3.37Å; D953-L956 PolarHBondContact O-N 3.19Å; D953-L957 WeakPolarHBondContact O-CG 3.47Å; D953-L957 PolarHBondContact O-N 2.87Å
954	P	70.2	Confident	69.8	Low	61 Å²	61	66.5 Å²	66.5	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-33.2	176.7	-21.8	35.6	0	0	0	113.1	F673 D952 E958	F673-P954 HydrophobicContact CE2-CB 4.3Å; F673-P954 HydrophobicContact CZ-CB 4.12Å; D952-P954 VanDerWaalsContact C-N 3.29Å; D952-P954 VanDerWaalsContact O-N 3.16Å; P954-E958 PolarHBondContact O-N 2.81Å; P954-E958 VanDerWaalsContact O-N 3.15Å
955	M	72.5	Confident	67.9	Low	4 Å²	4	68.5 Å²	68.5	2%	0.02	37%	0.371	C	S	.	.	H	α-helix	trans	-77.7	-38.8	178.9	-166.7	178.3	169.5	0	0	111.4	C672 F673 F951 D952 D953 L957 E958 L959	C672-M955 VanDerWaalsContact CA-CE 3.44Å; C672-M955 HydrophobicContact CB-CE 3.61Å; C672-M955 HydrophobicContact CB-SD 4.3Å; C672-M955 VanDerWaalsContact SG-CE 3.51Å; F673-M955 HydrophobicContact CD1-CG 4.3Å; F673-M955 HydrophobicContact CD1-SD 4.43Å; F673-M955 HydrophobicContact CE1-CB 3.96Å; F673-M955 HydrophobicContact CE1-CG 3.96Å; F673-M955 HydrophobicContact CE2-CB 4.2Å; F673-M955 HydrophobicContact CZ-CB 3.76Å; F673-M955 HydrophobicContact CZ-CG 4.28Å; F673-M955 VanDerWaalsContact O-SD 3.37Å; F951-M955 HydrophobicContact CD1-CB 4.46Å; F951-M955 HydrophobicContact CD1-CE 3.41Å; F951-M955 VanDerWaalsContact CD1-CE 3.41Å; F951-M955 HydrophobicContact CD1-CG 3.82Å; F951-M955 HydrophobicContact CD1-SD 3.37Å; F951-M955 WeakPolarHBondContact CD1-SD 3.42Å; F951-M955 HydrophobicContact CE1-CE 3.21Å; F951-M955 HydrophobicContact CE1-SD 3.8Å; F951-M955 HydrophobicContact CG-SD 4.28Å; F951-M955 HydrophobicContact CZ-CE 4.39Å; D952-M955 WeakPolarHBondContact O-CA 3.47Å; D952-M955 WeakPolarHBondContact O-CB 3.48Å; D952-M955 PolarHBondContact O-N 3.32Å; D953-M955 VanDerWaalsContact C-N 3.27Å; D953-M955 PolarHBondContact O-N 3.37Å; M955-L957 VanDerWaalsContact C-N 3.26Å; M955-L957 PolarHBondContact O-N 2.61Å; M955-E958 PolarHBondContact O-N 3.14Å; M955-L959 WeakPolarHBondContact O-CG 3.42Å; M955-L959 PolarHBondContact O-N 2.96Å
956	L	73.6	Confident	66.2	Low	56 Å²	56	72.8 Å²	72.8	29%	0.293	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-39.1	171.4	-69.1	173.8	0	0	0	111.6	F951 D952 D953 E958 L959 A960	F951-L956 HydrophobicContact CB-CD2 3.72Å; F951-L956 HydrophobicContact CB-CG 3.86Å; F951-L956 HydrophobicContact CG-CD2 4.37Å; D952-L956 PolarHBondContact O-N 2.97Å; D953-L956 PolarHBondContact O-N 3.19Å; L956-E958 VanDerWaalsContact C-N 3.34Å; L956-L959 HydrophobicContact CD2-CD1 4.26Å; L956-L959 PolarHBondContact O-N 3.39Å; L956-A960 WeakPolarHBondContact O-CB 3.15Å; L956-A960 PolarHBondContact O-N 3.15Å
957	L	71.2	Confident	64.3	Low	104 Å²	104	78.4 Å²	78.4	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-34.4	172.9	-75.5	163.1	0	0	0	112.9	D953 M955 K961	D953-L957 WeakPolarHBondContact O-CG 3.47Å; D953-L957 PolarHBondContact O-N 2.87Å; M955-L957 VanDerWaalsContact C-N 3.26Å; M955-L957 PolarHBondContact O-N 2.61Å; L957-K961 VanDerWaalsContact O-CG 3.24Å; L957-K961 WeakPolarHBondContact O-CG 3.46Å; L957-K961 PolarHBondContact O-N 3.05Å; L957-K961 VanDerWaalsContact O-N 3.11Å
958	E	70.9	Confident	63	Low	86 Å²	86	80 Å²	80	40%	0.402	42%	0.423	S	S	.	.	H	α-helix	trans	-71.9	-40.2	176.5	-165.6	169	-173.7	0	0	111.7	F673 P954 M955 L956 A960 K961 Q962	F673-E958 WeakPolarHBondContact CE1-OE2 3.45Å; P954-E958 PolarHBondContact O-N 2.81Å; P954-E958 VanDerWaalsContact O-N 3.15Å; M955-E958 PolarHBondContact O-N 3.14Å; L956-E958 VanDerWaalsContact C-N 3.34Å; E958-A960 PolarHBondContact O-N 3.03Å; E958-K961 PolarHBondContact O-N 2.72Å; E958-Q962 WeakPolarHBondContact O-CG 3.47Å; E958-Q962 PolarHBondContact O-N 3.25Å
959	L	69.8	Low	61.3	Low	20 Å²	20	82 Å²	82	11%	0.105	43%	0.434	C	S	.	.	H	α-helix	trans	-58.1	-47	170.9	-71.6	170	0	0	0	111.6	L670 M820 F951 M955 L956 K961 Q962	L670-L959 HydrophobicContact CD1-CD2 3.26Å; M820-L959 HydrophobicContact CE-CD1 3.78Å; M820-L959 HydrophobicContact CE-CD2 3.62Å; M820-L959 HydrophobicContact CE-CG 4.39Å; M820-L959 HydrophobicContact SD-CD2 4.28Å; F951-L959 HydrophobicContact CD1-CD1 3.56Å; F951-L959 HydrophobicContact CE1-CD1 3.75Å; F951-L959 HydrophobicContact CG-CD1 4.4Å; M955-L959 WeakPolarHBondContact O-CG 3.42Å; M955-L959 PolarHBondContact O-N 2.96Å; L956-L959 HydrophobicContact CD2-CD1 4.26Å; L956-L959 PolarHBondContact O-N 3.39Å; L959-K961 VanDerWaalsContact C-N 3.27Å; L959-K961 PolarHBondContact O-N 3.09Å; L959-Q962 PolarHBondContact O-N 2.8Å
960	A	67.3	Low	59.3	Low	65 Å²	65	88.2 Å²	88.2	54%	0.537	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-30.3	178	0	0	0	0	0	113	L956 E958	L956-A960 WeakPolarHBondContact O-CB 3.15Å; L956-A960 PolarHBondContact O-N 3.15Å; E958-A960 PolarHBondContact O-N 3.03Å
961	K	65.6	Low	58.5	Low	169 Å²	169	91.5 Å²	91.5	74%	0.735	49%	0.487	S	S	*	.	H	α-helix	trans	-77	-26	178.4	-79	171	-175.4	173.6	0	113.9	L957 E958 L959 D963	L957-K961 VanDerWaalsContact O-CG 3.24Å; L957-K961 WeakPolarHBondContact O-CG 3.46Å; L957-K961 PolarHBondContact O-N 3.05Å; L957-K961 VanDerWaalsContact O-N 3.11Å; E958-K961 PolarHBondContact O-N 2.72Å; L959-K961 VanDerWaalsContact C-N 3.27Å; L959-K961 PolarHBondContact O-N 3.09Å; K961-D963 VanDerWaalsContact C-N 3.32Å
962	Q	62.1	Low	57.4	Low	87 Å²	87	95.9 Å²	95.9	41%	0.407	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.3	-174.8	-71	177.9	-6	0	0	113.3	E958 L959 V964	E958-Q962 WeakPolarHBondContact O-CG 3.47Å; E958-Q962 PolarHBondContact O-N 3.25Å; L959-Q962 PolarHBondContact O-N 2.8Å; Q962-V964 HydrophobicContact CB-CG2 3.94Å; Q962-V964 PolarHBondContact O-N 3.15Å
963	D	52.2	Low	56.6	Low	146 Å²	146	99.7 Å²	99.7	78%	0.781	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	21.1	-174.6	-89.5	-16.8	0	0	0	113	K961 V965	K961-D963 VanDerWaalsContact C-N 3.32Å; D963-V965 PolarHBondContact O-N 3.3Å
964	V	51.2	Low	55.9	Low	55 Å²	55	98.2 Å²	98.2	33%	0.333	52%	0.523	S	S	.	.			trans	-80.8	50.1	168.9	-166.3	0	0	0	0	108.1	L670 Q962 L966	L670-V964 HydrophobicContact CD1-CB 4.44Å; L670-V964 HydrophobicContact CD1-CG2 4.28Å; Q962-V964 HydrophobicContact CB-CG2 3.94Å; Q962-V964 PolarHBondContact O-N 3.15Å; V964-L966 PolarHBondContact O-N 3.34Å
965	V	42.4	Very low	55	Low	86 Å²	86	100.5 Å²	100.5	52%	0.521	53%	0.531	S	S	.	.			trans	-81	84.8	156.4	-174.4	0	0	0	0	104	D963 N967	D963-V965 PolarHBondContact O-N 3.3Å; V965-N967 PolarHBondContact O-N 3.14Å
966	L	45.5	Very low	53.8	Low	100 Å²	100	106.9 Å²	106.9	52%	0.524	57%	0.565	S	S	.	*			trans	-38.9	127.4	143	-79.6	160.7	0	0	0	105.6	V964 Y968	V964-L966 PolarHBondContact O-N 3.34Å; L966-Y968 HydrophobicContact CB-CD2 3.39Å; L966-Y968 HydrophobicContact CB-CE2 3.27Å; L966-Y968 HydrophobicContact CD1-CE2 3.68Å; L966-Y968 HydrophobicContact CG-CE2 4.08Å; L966-Y968 WeakPolarHBondContact O-CB 3.35Å; L966-Y968 WeakPolarHBondContact O-CD2 3.45Å; L966-Y968 PolarHBondContact O-N 3.41Å
967	N	33.3	Very low	52.4	Low	168 Å²	168	110.6 Å²	110.6	90%	0.898	58%	0.584	S	S	*	*	S	Bend	trans	-47.4	82.6	-175.9	-81.2	-27.9	0	0	0	112.5	V965	V965-N967 PolarHBondContact O-N 3.14Å
968	Y	41.4	Very low	50.9	Low	74 Å²	74	111.1 Å²	111.1	29%	0.29	59%	0.587	S	S	.	*			trans	-124.3	107.1	-177.9	-77.1	-64.9	0	0	0	105	I947 L966	I947-Y968 HydrophobicContact CD1-CD2 4.32Å; I947-Y968 HydrophobicContact CD1-CE2 3.72Å; L966-Y968 HydrophobicContact CB-CD2 3.39Å; L966-Y968 HydrophobicContact CB-CE2 3.27Å; L966-Y968 HydrophobicContact CD1-CE2 3.68Å; L966-Y968 HydrophobicContact CG-CE2 4.08Å; L966-Y968 WeakPolarHBondContact O-CB 3.35Å; L966-Y968 WeakPolarHBondContact O-CD2 3.45Å; L966-Y968 PolarHBondContact O-N 3.41Å
969	P	30.7	Very low	49.3	Very low	123 Å²	123	113.2 Å²	113.2	80%	0.799	60%	0.603	S	S	*	*			trans	-64.5	136.5	162.9	-8.9	24.6	0	0	0	108.2
970	M	29.6	Very low	47.4	Very low	265 Å²	265	121.6 Å²	121.6	100%	1.305	65%	0.648	S	S	*	*			trans	-53.3	0	175.1	-85.5	-152.1	-83.4	0	0	113.2

Retrieved 970 of 970 residues in 5903 ms (Link to these results)

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