A0A077ZE42_TRITR Loading...

Laminin EGF and Kelch 6 and Kelch 3 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZE42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 989 aa.

						>A0A077ZE42_TRITR|A0A077ZE42
MQWKLWTAVGAFLWTFFAYAFNESRWQNATCVPHCFSTDCSKAACTCSPEGGELFCESCQSRMRLPNVQYNYSRKLRFGWLLNGRNQNFTYLHIRIENFENECQLDSLHVFDGDGIYSNRVVSLVGSFAKEAALQKKEFVTTSGQAFVYLHSGLACSMAGLNVSYRLDHCLNSCNGNGICNMTTGECNCFKGSGPSCKTISCNEMCAQNAGKLRKGFNDRECKCEQFHPGEAQWRVLNSDAPFGVASQAVCVVGNSAWSIGGYTFSPKRSIIVMQYHFNNNSWTMPRTIDAPLNRYGHSLVEYGGNLYMFGGLVNMRKITNDFLKLDLKTLTWKMVAVPNMYAPRPSHSVGHTAHVIGNSMLTFLGFHPLYGFVNAVQEYNFLNSTWKTVHTTGAVPRGTYGHTSVFDPITQVLYFYGGFRATSSTTGDMVDDLYLYDPAKRQWKLLPSSGFPSFLHSAAILSGIMIVLRGHARGSSNSKCGKFVIDSILTYDISCGTWSTLTIPDYLNTTLSRYGHRTVVHEKMMYLFGGFSGTLMNDVLLFKPGNCMHNRAKEECPNSQQGSKCVIYKGRCRSLEDALRQTEVEKRGSQTIETPCSYKSFGRNLNCASISDCATCTSIEGHPCRWCGDRCATDCPSHQIKKPDLCPTTINCSFFYNCHACETASPHCTWIFNEHHVYTCTEVKTPPENSVKKKSLSEIARTSGMDVSACKPCSLISTCSECTKNGCFWCATTQDCFDQNALVLSHSYGQCIQWTGNTEECSLLDCPSILTCDGCLLAGPNCGWCDDGSGTGLGRCMKGSTNGPAVLNEERNAYEVNFGLCPLASWYVTSCPACQCNGHGFCSNETAEEEPTELLKCLSCANRTTGAHCERCIEGYYGNALNGGVCTACECNGQATHCDPFHGQCYCNTKGVSGYNCDKCEQKYIGDPRNQTCFYELTVDFVFTFNLNGEDDAHITRINFVTRPPKVSSYSSRTCYKQSARCNTGPIL
					

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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	42.9	Very low	46.6	Very low	227 Å²	227	134.9 Å²	134.9	100%	1.118	68%	0.679	S	S	*	*				0	-22.9	0	-99.6	174.7	172.2	0	0	114.4	W3	M1-W3 PolarHBondContact O-N 2.88Å
2	Q	43.2	Very low	46.5	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.794	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-16.8	-175.8	-78.2	177	-32.6	0	0	116.8
3	W	41.4	Very low	46.5	Very low	241 Å²	241	132.6 Å²	132.6	91%	0.913	66%	0.662	S	S	*	*	H	α-helix	trans	-79.5	-18.9	-179.5	-102.2	55.3	0	0	0	115	M1	M1-W3 PolarHBondContact O-N 2.88Å
4	K	44.1	Very low	46.2	Very low	182 Å²	182	137.9 Å²	137.9	79%	0.791	67%	0.67	S	S	*	*	H	α-helix	trans	-84.5	-11.1	177.9	-77.1	-169.4	174.7	-174.1	0	114
5	L	45.2	Very low	46.2	Very low	122 Å²	122	134.1 Å²	134.1	64%	0.639	66%	0.658	S	S	*	*	H	α-helix	trans	-82.3	-32.6	177.4	-115	87.5	0	0	0	112.6	A8 V9	L5-A8 PolarHBondContact O-N 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.08Å; L5-V9 PolarHBondContact O-N 3.26Å
6	W	41.9	Very low	45.8	Very low	211 Å²	211	134.8 Å²	134.8	80%	0.799	66%	0.657	S	S	*	*	H	α-helix	trans	-73.8	-30.9	-175.3	-81.8	79.4	0	0	0	113.6	G10	W6-G10 PolarHBondContact O-N 3.34Å; W6-G10 VanDerWaalsContact O-N 3.07Å
7	T	50.8	Low	45.2	Very low	104 Å²	104	134.3 Å²	134.3	64%	0.638	65%	0.651	S	S	*	*	H	α-helix	trans	-72.2	-32.2	175.6	50.4	0	0	0	0	112.5	A11	T7-A11 PolarHBondContact O-N 3.29Å
8	A	50.4	Low	44.8	Very low	54 Å²	54	129.9 Å²	129.9	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-73.7	-38.8	176.6	0	0	0	0	0	112.3	L5 A11 F12	L5-A8 PolarHBondContact O-N 3.31Å; A8-A11 PolarHBondContact O-N 3.24Å; A8-F12 PolarHBondContact O-N 3.23Å; A8-F12 VanDerWaalsContact O-N 3.1Å
9	V	56.5	Low	44.1	Very low	80 Å²	80	132.3 Å²	132.3	49%	0.485	64%	0.643	S	S	.	*	H	α-helix	trans	-69.8	-37.2	176.2	177.6	0	0	0	0	111.2	L5 F12 L13	L5-V9 WeakPolarHBondContact O-CG2 3.08Å; L5-V9 PolarHBondContact O-N 3.26Å; V9-F12 PolarHBondContact O-N 3.28Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 2.98Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.73Å
10	G	46.7	Very low	43.6	Very low	37 Å²	37	128.6 Å²	128.6	38%	0.381	64%	0.635	S	S	.	*	H	α-helix	trans	-63.2	-40.8	174.7	0	0	0	0	0	113.3	W6 W14	W6-G10 PolarHBondContact O-N 3.34Å; W6-G10 VanDerWaalsContact O-N 3.07Å; G10-W14 WeakPolarHBondContact O-CB 3.17Å; G10-W14 PolarHBondContact O-N 2.82Å
11	A	49.3	Very low	42.8	Very low	56 Å²	56	129.9 Å²	129.9	46%	0.463	64%	0.637	S	S	.	*	H	α-helix	trans	-71.6	-37.5	178.4	0	0	0	0	0	112.9	T7 A8 W14 T15	T7-A11 PolarHBondContact O-N 3.29Å; A8-A11 PolarHBondContact O-N 3.24Å; A11-W14 PolarHBondContact O-N 3.19Å; A11-T15 PolarHBondContact O-N 3.38Å; A11-T15 PolarHBondContact O-OG1 3.07Å
12	F	45.9	Very low	42.2	Very low	146 Å²	146	126.1 Å²	126.1	64%	0.64	62%	0.622	S	S	*	*	H	α-helix	trans	-71.9	-34.2	177	-105.9	-86	0	0	0	113.1	A8 V9 T15 F16	A8-F12 PolarHBondContact O-N 3.23Å; A8-F12 VanDerWaalsContact O-N 3.1Å; V9-F12 PolarHBondContact O-N 3.28Å; F12-T15 PolarHBondContact O-OG1 3.06Å; F12-T15 VanDerWaalsContact O-OG1 3.12Å; F12-F16 PolarHBondContact O-N 2.62Å; F12-F16 VanDerWaalsContact O-N 3.11Å
13	L	46.9	Very low	41.5	Very low	94 Å²	94	124.1 Å²	124.1	49%	0.492	61%	0.613	S	S	.	*	H	α-helix	trans	-70.7	-34.5	172.4	-73.7	169.6	0	0	0	111.2	V9 F16 F17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 2.98Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.73Å; L13-F16 PolarHBondContact O-N 3.02Å; L13-F17 VanDerWaalsContact O-CB 3.3Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.37Å; L13-F17 PolarHBondContact O-N 3.15Å
14	W	42.1	Very low	40.9	Very low	207 Å²	207	117 Å²	117	78%	0.784	60%	0.599	S	S	*	*	H	α-helix	trans	-69.1	-37.4	175.6	-114.6	67.8	0	0	0	113.2	G10 A11 A18	G10-W14 WeakPolarHBondContact O-CB 3.17Å; G10-W14 PolarHBondContact O-N 2.82Å; A11-W14 PolarHBondContact O-N 3.19Å; W14-A18 WeakPolarHBondContact O-CB 3.37Å; W14-A18 PolarHBondContact O-N 3.13Å
15	T	46.6	Very low	40.1	Very low	80 Å²	80	119.1 Å²	119.1	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-70.8	-36.5	174.5	50.7	0	0	0	0	111.9	A11 F12 Y19	A11-T15 PolarHBondContact O-N 3.38Å; A11-T15 PolarHBondContact O-OG1 3.07Å; F12-T15 PolarHBondContact O-OG1 3.06Å; F12-T15 VanDerWaalsContact O-OG1 3.12Å; T15-Y19 WeakPolarHBondContact O-CB 3.43Å; T15-Y19 PolarHBondContact O-N 3.09Å
16	F	38.7	Very low	39.3	Very low	145 Å²	145	123.6 Å²	123.6	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-72	-36.7	173.3	-102	-84.5	0	0	0	113.3	F12 L13 A20	F12-F16 PolarHBondContact O-N 2.62Å; F12-F16 VanDerWaalsContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 3.02Å; F16-A20 WeakPolarHBondContact O-CB 3.4Å; F16-A20 PolarHBondContact O-N 3.37Å
17	F	36	Very low	38.6	Very low	127 Å²	127	120.9 Å²	120.9	56%	0.557	61%	0.607	S	S	*	*	H	α-helix	trans	-71.3	-35.7	173.7	-93.6	-90.1	0	0	0	111.8	L13 F21	L13-F17 VanDerWaalsContact O-CB 3.3Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.37Å; L13-F17 PolarHBondContact O-N 3.15Å; F17-F21 AromaticContact CD1-CD2 3.91Å; F17-F21 HydrophobicContact CD1-CD2 3.91Å; F17-F21 AromaticContact CD1-CE2 3.73Å; F17-F21 HydrophobicContact CD1-CE2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.95Å; F17-F21 HydrophobicContact CE1-CE2 3.95Å; F17-F21 WeakPolarHBondContact O-CB 3.33Å; F17-F21 PolarHBondContact O-N 2.94Å
18	A	37.6	Very low	37.5	Very low	56 Å²	56	123.2 Å²	123.2	46%	0.463	62%	0.616	S	S	.	*	H	α-helix	trans	-72.7	-31	174.6	0	0	0	0	0	112.8	W14 N22	W14-A18 WeakPolarHBondContact O-CB 3.37Å; W14-A18 PolarHBondContact O-N 3.13Å; A18-N22 WeakPolarHBondContact O-CB 3.42Å
19	Y	32.9	Very low	36.8	Very low	174 Å²	174	123.6 Å²	123.6	68%	0.682	62%	0.618	S	S	*	*	H	α-helix	trans	-78.4	-38.9	171.5	-107.2	-97.2	0	0	0	112.5	T15 F21 N22	T15-Y19 WeakPolarHBondContact O-CB 3.43Å; T15-Y19 PolarHBondContact O-N 3.09Å; Y19-F21 PolarHBondContact O-N 3.31Å; Y19-N22 PolarHBondContact O-N 3.08Å
20	A	32.7	Very low	35.6	Very low	59 Å²	59	124.8 Å²	124.8	49%	0.488	63%	0.626	S	S	.	*	H	α-helix	trans	-72.6	-26.1	-179.7	0	0	0	0	0	113.3	F16	F16-A20 WeakPolarHBondContact O-CB 3.4Å; F16-A20 PolarHBondContact O-N 3.37Å
21	F	28.1	Very low	35.3	Very low	155 Å²	155	125 Å²	125	68%	0.68	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-4.1	175.2	-87	-86	0	0	0	115	F17 Y19	F17-F21 AromaticContact CD1-CD2 3.91Å; F17-F21 HydrophobicContact CD1-CD2 3.91Å; F17-F21 AromaticContact CD1-CE2 3.73Å; F17-F21 HydrophobicContact CD1-CE2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.95Å; F17-F21 HydrophobicContact CE1-CE2 3.95Å; F17-F21 WeakPolarHBondContact O-CB 3.33Å; F17-F21 PolarHBondContact O-N 2.94Å; Y19-F21 PolarHBondContact O-N 3.31Å
22	N	28.9	Very low	34.6	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-3.9	176	-121	6.7	0	0	0	114.9	A18 Y19	A18-N22 WeakPolarHBondContact O-CB 3.42Å; Y19-N22 PolarHBondContact O-N 3.08Å
23	E	28.5	Very low	34.1	Very low	129 Å²	129	125.6 Å²	125.6	60%	0.603	63%	0.633	S	S	*	*	S	Bend	trans	-110.8	-5	177.4	-81.2	-164.6	155.3	0	0	115.9
24	S	28.7	Very low	33.5	Very low	90 Å²	90	128.2 Å²	128.2	63%	0.629	64%	0.642	S	S	*	*	S	Bend	trans	-110.2	21.8	-168.9	79.6	0	0	0	0	117.3
25	R	27.4	Very low	33.2	Very low	227 Å²	227	120 Å²	120	86%	0.857	62%	0.615	S	S	*	*	S	Bend	trans	-129.4	1.8	177.4	-108.2	-175.9	-176.5	-172.3	1.6	119.7
26	W	29.1	Very low	32.9	Very low	216 Å²	216	125.1 Å²	125.1	82%	0.818	63%	0.631	S	S	*	*	S	Bend	trans	-135.8	8.1	176.9	-67.1	96.5	0	0	0	116.3	N28	W26-N28 PolarHBondContact O-N 3.47Å
27	Q	27.9	Very low	32.8	Very low	155 Å²	155	120.2 Å²	120.2	72%	0.724	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	7.1	-174.9	-90.8	-173.7	-5.4	0	0	117.1
28	N	27.9	Very low	33.1	Very low	153 Å²	153	121.4 Å²	121.4	82%	0.818	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	38.1	173.7	-84.8	-33.1	0	0	0	113	W26 T30	W26-N28 PolarHBondContact O-N 3.47Å; N28-T30 PolarHBondContact O-N 2.69Å
29	A	33.7	Very low	33.3	Very low	61 Å²	61	123.6 Å²	123.6	50%	0.504	64%	0.637	S	S	.	*			trans	-73	83.3	157.9	0	0	0	0	0	107.6	C31	A29-C31 PolarHBondContact O-N 2.92Å
30	T	31.9	Very low	33.7	Very low	106 Å²	106	118.6 Å²	118.6	65%	0.65	63%	0.626	S	S	*	*			trans	-59.6	106.5	162.8	45.9	0	0	0	0	106.9	N28 V32	N28-T30 PolarHBondContact O-N 2.69Å; T30-V32 VanDerWaalsContact C-N 3.33Å; T30-V32 PolarHBondContact O-N 3.47Å
31	C	39.8	Very low	34.2	Very low	40 Å²	40	119.9 Å²	119.9	27%	0.27	63%	0.632	S	S	.	*			trans	-58.3	99.7	167.3	-69.8	0	0	0	0	107.5	A29 P33 H34	A29-C31 PolarHBondContact O-N 2.92Å; C31-P33 CarbonylContact O-C 3.52Å; C31-H34 WeakPolarHBondContact O-CA 3.12Å; C31-H34 PolarHBondContact O-N 3.23Å
32	V	35.3	Very low	34.7	Very low	130 Å²	130	119.7 Å²	119.7	79%	0.788	63%	0.631	S	S	*	*	S	Bend	trans	-101.1	109.2	168.7	-178.1	0	0	0	0	106.8	T30	T30-V32 VanDerWaalsContact C-N 3.33Å; T30-V32 PolarHBondContact O-N 3.47Å
33	P	35.1	Very low	35.1	Very low	86 Å²	86	118 Å²	118	56%	0.558	64%	0.637	S	S	*	*	S	Bend	cis	-91	156.6	-1.3	14.7	5.4	0	0	0	113	C31 C35 F55	C31-P33 CarbonylContact O-C 3.52Å; P33-C35 PolarHBondContact O-N 3.04Å; P33-F55 HydrophobicContact CB-CE1 4.43Å; P33-F55 HydrophobicContact CG-CE1 4.35Å
34	H	34.4	Very low	35.5	Very low	149 Å²	149	115.3 Å²	115.3	69%	0.69	64%	0.637	S	S	*	*			trans	-49.4	113.1	-172.9	-73.9	-73.5	0	0	0	114.6	C31	C31-H34 WeakPolarHBondContact O-CA 3.12Å; C31-H34 PolarHBondContact O-N 3.23Å
35	C	35.9	Very low	35.9	Very low	33 Å²	33	113.2 Å²	113.2	22%	0.223	62%	0.622	C	S	.	*			trans	-70.3	141.5	157.9	-51.5	0	0	0	0	108.3	P33 C45	P33-C35 PolarHBondContact O-N 3.04Å; C35-C45 HydrophobicContact CB-CB 4.08Å; C35-C45 WeakPolarHBondContact CB-SG 3.02Å; C35-C45 WeakPolarHBondContact SG-CB 3.07Å; C35-C45 CovalentContact SG-SG 2.06Å; C35-C45 PolarHBondContact SG-SG 3.02Å
36	F	39.6	Very low	36.2	Very low	189 Å²	189	106.9 Å²	106.9	83%	0.829	61%	0.608	S	S	*	*			trans	-89.7	-2.9	176.6	-119.5	-85.9	0	0	0	114
37	S	36.7	Very low	36.7	Very low	42 Å²	42	99.2 Å²	99.2	29%	0.294	59%	0.587	S	S	.	*	S	Bend	trans	-84.7	139.4	174.7	177	0	0	0	0	112.1	D39	S37-D39 VanDerWaalsContact C-N 3.28Å; S37-D39 PolarHBondContact O-N 3.23Å
38	T	42.8	Very low	37.1	Very low	151 Å²	151	93.9 Å²	93.9	93%	0.926	57%	0.567	S	S	*	*	S	Bend	trans	-75	-1.5	-170	43.6	0	0	0	0	115.6
39	D	41.1	Very low	37.5	Very low	103 Å²	103	90.3 Å²	90.3	55%	0.551	55%	0.552	S	S	*	*			trans	-114.2	98.8	177.7	-166.4	0.2	0	0	0	112	S37 S41	S37-D39 VanDerWaalsContact C-N 3.28Å; S37-D39 PolarHBondContact O-N 3.23Å; D39-S41 VanDerWaalsContact C-N 3.35Å; D39-S41 VanDerWaalsContact CG-OG 3.29Å; D39-S41 WeakPolarHBondContact OD1-CB 3.14Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 3.19Å; D39-S41 PolarHBondContact OD2-OG 3Å
40	C	42.4	Very low	37.5	Very low	68 Å²	68	95.4 Å²	95.4	46%	0.459	57%	0.565	S	S	.	*			trans	-90.9	12	175.9	-71.8	0	0	0	0	113.3	K42	C40-K42 VanDerWaalsContact C-N 3.28Å; C40-K42 PolarHBondContact O-N 2.9Å
41	S	43.7	Very low	37.5	Very low	86 Å²	86	91.8 Å²	91.8	60%	0.601	55%	0.55	S	S	*	.	S	Bend	trans	-68.5	-23.2	-173.7	61.9	0	0	0	0	114.4	D39	D39-S41 VanDerWaalsContact C-N 3.35Å; D39-S41 VanDerWaalsContact CG-OG 3.29Å; D39-S41 WeakPolarHBondContact OD1-CB 3.14Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 3.19Å; D39-S41 PolarHBondContact OD2-OG 3Å
42	K	38.2	Very low	37.2	Very low	152 Å²	152	92.4 Å²	92.4	66%	0.661	56%	0.562	S	S	*	*	S	Bend	trans	-112.6	123.1	172.6	-59.7	175.4	-172.1	169.3	0	105.7	C40 A44	C40-K42 VanDerWaalsContact C-N 3.28Å; C40-K42 PolarHBondContact O-N 2.9Å; K42-A44 PolarHBondContact O-N 2.94Å
43	A	37.9	Very low	36.9	Very low	112 Å²	112	90.5 Å²	90.5	93%	0.926	55%	0.545	S	S	*	.	S	Bend	trans	-65.7	36.7	-175.9	0	0	0	0	0	115.1
44	A	35.8	Very low	36.8	Very low	73 Å²	73	92.6 Å²	92.6	60%	0.603	55%	0.551	S	S	*	*	S	Bend	trans	-144.1	129.3	176.7	0	0	0	0	0	108.6	K42 T46	K42-A44 PolarHBondContact O-N 2.94Å; A44-T46 PolarHBondContact O-N 2.98Å
45	C	36.3	Very low	36.7	Very low	46 Å²	46	90.1 Å²	90.1	31%	0.311	54%	0.538	S	S	.	.			trans	-63.8	131.2	174.1	-43.6	0	0	0	0	109.2	C35	C35-C45 HydrophobicContact CB-CB 4.08Å; C35-C45 WeakPolarHBondContact CB-SG 3.02Å; C35-C45 WeakPolarHBondContact SG-CB 3.07Å; C35-C45 CovalentContact SG-SG 2.06Å; C35-C45 PolarHBondContact SG-SG 3.02Å
46	T	34.8	Very low	36.6	Very low	93 Å²	93	89.3 Å²	89.3	57%	0.571	53%	0.533	S	S	*	.			trans	-84.3	140.1	170.2	40.9	0	0	0	0	110.4	A44	A44-T46 PolarHBondContact O-N 2.98Å
47	C	39.4	Very low	36.4	Very low	55 Å²	55	86.3 Å²	86.3	37%	0.372	52%	0.521	S	S	.	.			trans	-120.4	122.5	-166.9	-58.9	0	0	0	0	111.1	C56	C47-C56 WeakPolarHBondContact CA-SG 3.3Å; C47-C56 HydrophobicContact CB-CB 3.66Å; C47-C56 WeakPolarHBondContact CB-SG 2.97Å; C47-C56 WeakPolarHBondContact SG-CA 3.29Å; C47-C56 WeakPolarHBondContact SG-CB 3.11Å; C47-C56 CovalentContact SG-SG 1.98Å; C47-C56 PolarHBondContact SG-SG 2.81Å
48	S	36.1	Very low	36.3	Very low	43 Å²	43	87.1 Å²	87.1	30%	0.301	53%	0.527	S	S	.	.			trans	-72.8	132.1	170.4	169	0	0	0	0	110.4	E50 G51 T853	S48-E50 PolarHBondContact O-N 3.25Å; S48-E50 PolarHBondContact OG-N 3.03Å; S48-G51 PolarHBondContact OG-N 3.13Å; S48-T853 WeakPolarHBondContact OG-CG2 3.38Å
49	P	37	Very low	36	Very low	78 Å²	78	81.5 Å²	81.5	51%	0.506	49%	0.494	S	S	.	.	S	Bend	trans	-62.8	-20	171.7	-20.3	32	0	0	0	113.8	M63	P49-M63 WeakPolarHBondContact O-CE 3.33Å
50	E	33.4	Very low	36.1	Very low	168 Å²	168	80 Å²	80	79%	0.785	48%	0.484	S	S	*	.	S	Bend	trans	-104.2	-28.9	-175.7	-63.1	-166.4	159	0	0	113.1	S48	S48-E50 PolarHBondContact O-N 3.25Å; S48-E50 PolarHBondContact OG-N 3.03Å
51	G	31.6	Very low	35.9	Very low	31 Å²	31	78.4 Å²	78.4	32%	0.32	47%	0.473	S	S	.	.	S	Bend	trans	-97.6	103.1	176.2	0	0	0	0	0	110.8	S48 E53	S48-G51 PolarHBondContact OG-N 3.13Å; G51-E53 PolarHBondContact O-N 2.03Å
52	G	32.8	Very low	35.6	Very low	52 Å²	52	75.2 Å²	75.2	54%	0.536	45%	0.448	S	S	.	.			trans	-66.2	69.3	176.7	0	0	0	0	0	113.7
53	E	30.5	Very low	35.6	Very low	91 Å²	91	70.6 Å²	70.6	43%	0.425	43%	0.429	S	S	.	.			trans	-75.6	135.4	176.8	-68.3	-164	172.1	0	0	112.1	G51 F55	G51-E53 PolarHBondContact O-N 2.03Å; E53-F55 PolarHBondContact O-N 3.18Å
54	L	32.3	Very low	35.4	Very low	130 Å²	130	74 Å²	74	68%	0.681	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.6	-161.2	-154.3	79.4	0	0	0	116
55	F	31.9	Very low	35.5	Very low	97 Å²	97	71.7 Å²	71.7	43%	0.425	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	13.9	-169.3	-66.7	-72.8	0	0	0	115	P33 E53 E57	P33-F55 HydrophobicContact CB-CE1 4.43Å; P33-F55 HydrophobicContact CG-CE1 4.35Å; E53-F55 PolarHBondContact O-N 3.18Å; F55-E57 PolarHBondContact O-N 3.33Å
56	C	35.1	Very low	35.3	Very low	16 Å²	16	73.4 Å²	73.4	11%	0.108	41%	0.406	C	S	.	.			trans	-77.7	110.4	176.5	-77.3	0	0	0	0	112.1	C47 S58	C47-C56 WeakPolarHBondContact CA-SG 3.3Å; C47-C56 HydrophobicContact CB-CB 3.66Å; C47-C56 WeakPolarHBondContact CB-SG 2.97Å; C47-C56 WeakPolarHBondContact SG-CA 3.29Å; C47-C56 WeakPolarHBondContact SG-CB 3.11Å; C47-C56 CovalentContact SG-SG 1.98Å; C47-C56 PolarHBondContact SG-SG 2.81Å; C56-S58 PolarHBondContact O-N 3.43Å
57	E	35.4	Very low	35	Very low	125 Å²	125	75.5 Å²	75.5	58%	0.584	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	1.5	-177.4	-72.8	-176.6	-174.8	0	0	115.3	F55 R74	F55-E57 PolarHBondContact O-N 3.33Å; E57-R74 VanDerWaalsContact CD-CZ 3.47Å; E57-R74 IonicContact OE1-CZ 2.84Å; E57-R74 IonicContact OE1-NE 3.55Å; E57-R74 IonicContact OE1-NH1 3.76Å; E57-R74 PolarHBondContact OE1-NH1 2.91Å; E57-R74 IonicContact OE1-NH2 3.69Å; E57-R74 PolarHBondContact OE1-NH2 3.13Å; E57-R74 IonicContact OE2-CZ 3.74Å; E57-R74 IonicContact OE2-NH1 3.84Å; E57-R74 PolarHBondContact OE2-NH1 3.38Å
58	S	33.2	Very low	34.7	Very low	60 Å²	60	76.5 Å²	76.5	42%	0.42	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	69	178.1	65.7	0	0	0	0	112.9	C56 Q60	C56-S58 PolarHBondContact O-N 3.43Å; S58-Q60 PolarHBondContact O-N 2.02Å
59	C	37.5	Very low	34.6	Very low	33 Å²	33	81 Å²	81	22%	0.223	43%	0.434	C	S	.	.			trans	-74.8	68.9	161.8	-69.9	0	0	0	0	109.8	F78	C59-F78 HydrophobicContact CB-CD1 4.04Å; C59-F78 HydrophobicContact CB-CE1 3.31Å; C59-F78 HydrophobicContact CB-CZ 3.99Å
60	Q	43.1	Very low	35.1	Very low	72 Å²	72	80.8 Å²	80.8	34%	0.336	42%	0.424	S	S	.	.			trans	-94.4	7.3	-169.2	-71	-178.1	23.3	0	0	114.4	S58 L778	S58-Q60 PolarHBondContact O-N 2.02Å; Q60-L778 HydrophobicContact CB-CD2 3.82Å; Q60-L778 HydrophobicContact CG-CD2 4.3Å; Q60-L778 PolarHBondContact OE1-O 3.15Å
61	S	38.8	Very low	35.2	Very low	34 Å²	34	79 Å²	79	24%	0.238	42%	0.42	C	S	.	.	S	Bend	trans	-112.7	164.4	-177.1	62.7	0	0	0	0	113.6	M63	S61-M63 PolarHBondContact O-N 3.13Å
62	R	37.4	Very low	35.9	Very low	19 Å²	19	78.7 Å²	78.7	7%	0.072	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.7	178.1	-54.7	-177.4	176.9	151.5	8.3	109.9	G79 F147 P781 T802 T830	R62-G79 VanDerWaalsContact CA-O 3.28Å; R62-G79 WeakPolarHBondContact CA-O 3.03Å; R62-F147 HydrophobicContact CG-CE2 3.84Å; R62-F147 HydrophobicContact CG-CZ 4.4Å; R62-P781 PolarHBondContact NH2-O 3.15Å; R62-T802 VanDerWaalsContact NH1-CA 3.31Å; R62-T802 PolarHBondContact NH1-OG1 2.93Å; R62-T830 HydrophobicContact CB-CG2 3.9Å
63	M	38	Very low	36.3	Very low	55 Å²	55	80.6 Å²	80.6	27%	0.271	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.1	175.1	-62.3	-170.8	83.9	0	0	112.5	P49 S61 G79 W80 L81	P49-M63 WeakPolarHBondContact O-CE 3.33Å; S61-M63 PolarHBondContact O-N 3.13Å; M63-G79 PolarHBondContact N-O 3.18Å; M63-W80 WeakPolarHBondContact O-CA 2.93Å; M63-L81 PolarHBondContact O-N 2.92Å
64	R	34	Very low	37.1	Very low	184 Å²	184	82.6 Å²	82.6	69%	0.694	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-78.9	125.4	162.5	-86.4	-178.6	173.2	164.9	-0.9	108.4	P66	R64-P66 WeakPolarHBondContact O-CD 3.48Å
65	L	36.1	Very low	38.1	Very low	24 Å²	24	80.6 Å²	80.6	13%	0.126	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-70.5	125.3	-176.4	-85.1	164.7	0	0	0	112.9	W80 L82 Y165	L65-W80 HydrophobicContact CD1-CB 3.83Å; L65-W80 HydrophobicContact CD1-CD2 4.29Å; L65-W80 HydrophobicContact CD1-CG 3.72Å; L65-W80 HydrophobicContact CD2-CD2 4.24Å; L65-W80 HydrophobicContact CD2-CG 3.91Å; L65-W80 VanDerWaalsContact CD2-NE1 3.3Å; L65-W80 HydrophobicContact CG-CB 3.99Å; L65-W80 HydrophobicContact CG-CD2 4.36Å; L65-W80 HydrophobicContact CG-CG 3.6Å; L65-L82 HydrophobicContact CB-CD2 4.42Å; L65-L82 HydrophobicContact CD1-CD2 4.16Å; L65-Y165 HydrophobicContact CB-CE1 3.87Å; L65-Y165 HydrophobicContact CD1-CD1 4.34Å; L65-Y165 HydrophobicContact CD1-CE1 4.5Å
66	P	32	Very low	39.5	Very low	81 Å²	81	77 Å²	77	53%	0.526	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-85.5	152.4	143.6	31.5	-29.7	0	0	0	110.7	R64 V68	R64-P66 WeakPolarHBondContact O-CD 3.48Å; P66-V68 HydrophobicContact CB-CG2 4.47Å; P66-V68 HydrophobicContact CG-CG2 4.37Å; P66-V68 PolarHBondContact O-N 3.47Å
67	N	29.2	Very low	41	Very low	137 Å²	137	78.5 Å²	78.5	73%	0.733	39%	0.392	S	S	*	.	S	Bend	trans	-65.4	95.3	176.2	-75	-25.7	0	0	0	110.8
68	V	32.9	Very low	42.9	Very low	76 Å²	76	74.4 Å²	74.4	46%	0.461	37%	0.372	S	S	.	.			trans	-142	146.6	176.6	-172.4	0	0	0	0	110.7	P66 Y70	P66-V68 HydrophobicContact CB-CG2 4.47Å; P66-V68 HydrophobicContact CG-CG2 4.37Å; P66-V68 PolarHBondContact O-N 3.47Å; V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CE1 4.41Å; V68-Y70 WeakPolarHBondContact O-CD2 3.34Å; V68-Y70 WeakPolarHBondContact O-CE2 3.31Å
69	Q	34.8	Very low	45.1	Very low	138 Å²	138	71.8 Å²	71.8	65%	0.645	36%	0.355	S	S	*	.			trans	-97.8	129.8	-178.2	-157.8	177.1	1.2	0	0	110.1	N162	Q69-N162 HydrophobicContact CG-CB 4.48Å
70	Y	46.9	Very low	47.2	Very low	74 Å²	74	71.3 Å²	71.3	29%	0.29	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-121.2	131.1	-173.4	-60.3	-85.3	0	0	0	112.9	V68 G160	V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CE1 4.41Å; V68-Y70 WeakPolarHBondContact O-CD2 3.34Å; V68-Y70 WeakPolarHBondContact O-CE2 3.31Å; Y70-G160 WeakPolarHBondContact O-CA 3.32Å
71	N	36.6	Very low	49.2	Very low	131 Å²	131	69.1 Å²	69.1	70%	0.701	34%	0.339	S	S	*	.			trans	-105.5	136.9	164.4	-82.1	-21.6	0	0	0	109	A159	N71-A159 WeakPolarHBondContact OD1-CA 3.33Å; N71-A159 PolarHBondContact OD1-O 3.23Å
72	Y	44.9	Very low	51.3	Low	23 Å²	23	67.9 Å²	67.9	9%	0.09	33%	0.33	C	S	.	.			trans	-131.7	154	179.5	57.7	-92.8	0	0	0	113.4	L76 E102 L150 S152	Y72-L76 HydrophobicContact CD2-CD1 3.94Å; Y72-L76 HydrophobicContact CG-CD1 3.65Å; Y72-E102 HydrophobicContact CE2-CG 4.23Å; Y72-L150 HydrophobicContact CE1-CD2 4.5Å; Y72-S152 WeakPolarHBondContact CE2-OG 2.94Å
73	S	41.2	Very low	53.5	Low	93 Å²	93	69.2 Å²	69.2	65%	0.65	34%	0.338	S	S	*	.			trans	-134.5	14.6	-176.8	47.5	0	0	0	0	114.1
74	R	47	Very low	55.5	Low	133 Å²	133	66.6 Å²	66.6	50%	0.502	33%	0.325	S	S	.	.	S	Bend	trans	-141.8	163.7	178.5	-63.8	-168.2	-175.5	-167.4	19.1	112.4	E57 L76	E57-R74 VanDerWaalsContact CD-CZ 3.47Å; E57-R74 IonicContact OE1-CZ 2.84Å; E57-R74 IonicContact OE1-NE 3.55Å; E57-R74 IonicContact OE1-NH1 3.76Å; E57-R74 PolarHBondContact OE1-NH1 2.91Å; E57-R74 IonicContact OE1-NH2 3.69Å; E57-R74 PolarHBondContact OE1-NH2 3.13Å; E57-R74 IonicContact OE2-CZ 3.74Å; E57-R74 IonicContact OE2-NH1 3.84Å; E57-R74 PolarHBondContact OE2-NH1 3.38Å; R74-L76 WeakPolarHBondContact O-CD1 2.94Å; R74-L76 VanDerWaalsContact O-CG 3.27Å; R74-L76 WeakPolarHBondContact O-CG 2.96Å; R74-L76 PolarHBondContact O-N 3.46Å
75	K	53.2	Low	57.7	Low	87 Å²	87	65.5 Å²	65.5	38%	0.378	32%	0.321	S	S	.	.			trans	-54.8	119.4	173.3	-175	-179.6	-178.9	-178.6	0	109	S152 L154 E761	K75-S152 WeakPolarHBondContact CA-O 3.15Å; K75-S152 WeakPolarHBondContact CG-O 3.14Å; K75-L154 HydrophobicContact CB-CD1 4.38Å; K75-L154 HydrophobicContact CB-CG 4.1Å; K75-E761 IonicContact NZ-OE1 2.96Å; K75-E761 PolarHBondContact NZ-OE1 3.36Å
76	L	61.7	Low	59.7	Low	22 Å²	22	70.1 Å²	70.1	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.7	-173.2	-75	158.2	0	0	0	112.1	Y72 R74 F78 S152	Y72-L76 HydrophobicContact CD2-CD1 3.94Å; Y72-L76 HydrophobicContact CG-CD1 3.65Å; R74-L76 WeakPolarHBondContact O-CD1 2.94Å; R74-L76 VanDerWaalsContact O-CG 3.27Å; R74-L76 WeakPolarHBondContact O-CG 2.96Å; R74-L76 PolarHBondContact O-N 3.46Å; L76-F78 HydrophobicContact CB-CD2 4.07Å; L76-F78 HydrophobicContact CB-CE2 3.69Å; L76-F78 HydrophobicContact CD1-CE2 3.92Å; L76-F78 HydrophobicContact CD2-CE2 3.81Å; L76-F78 HydrophobicContact CD2-CZ 4.02Å; L76-F78 HydrophobicContact CG-CE2 3.99Å; L76-S152 PolarHBondContact N-O 3.12Å; L76-S152 VanDerWaalsContact N-O 3.13Å; L76-S152 PolarHBondContact O-N 3.39Å
77	R	67.8	Low	61.9	Low	47 Å²	47	72.2 Å²	72.2	18%	0.177	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.2	174.7	-62.7	177.5	-178.4	180	-2	107.4	L150 A779	R77-L150 WeakPolarHBondContact CA-O 3.3Å; R77-A779 PolarHBondContact NH1-O 3.19Å
78	F	74.2	Confident	64.4	Low	39 Å²	39	72 Å²	72	17%	0.171	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.2	177.4	-71.6	-86.8	0	0	0	110.8	C59 L76 W80 Y149 L150	C59-F78 HydrophobicContact CB-CD1 4.04Å; C59-F78 HydrophobicContact CB-CE1 3.31Å; C59-F78 HydrophobicContact CB-CZ 3.99Å; L76-F78 HydrophobicContact CB-CD2 4.07Å; L76-F78 HydrophobicContact CB-CE2 3.69Å; L76-F78 HydrophobicContact CD1-CE2 3.92Å; L76-F78 HydrophobicContact CD2-CE2 3.81Å; L76-F78 HydrophobicContact CD2-CZ 4.02Å; L76-F78 HydrophobicContact CG-CE2 3.99Å; F78-W80 HydrophobicContact CB-CE3 4.46Å; F78-W80 HydrophobicContact CB-CH2 3.44Å; F78-W80 VanDerWaalsContact CB-CH2 3.44Å; F78-W80 HydrophobicContact CB-CZ2 3.63Å; F78-W80 HydrophobicContact CB-CZ3 3.89Å; F78-W80 HydrophobicContact CD1-CZ2 4.13Å; F78-W80 HydrophobicContact CG-CH2 4.03Å; F78-W80 AromaticContact CG-CZ2 3.95Å; F78-W80 HydrophobicContact CG-CZ2 3.95Å; F78-Y149 CarbonylContact O-C 3.6Å; F78-Y149 WeakPolarHBondContact O-CA 3.33Å; F78-Y149 VanDerWaalsContact O-CD2 3.26Å; F78-Y149 WeakPolarHBondContact O-CD2 3.28Å; F78-L150 HydrophobicContact CB-CB 4.35Å; F78-L150 HydrophobicContact CD2-CD2 4.24Å; F78-L150 PolarHBondContact N-O 3.03Å; F78-L150 PolarHBondContact O-N 3.03Å
79	G	79.3	Confident	66.7	Low	6 Å²	6	70.3 Å²	70.3	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.3	170.5	0	0	0	0	0	110.6	R62 M63 V148	R62-G79 VanDerWaalsContact CA-O 3.28Å; R62-G79 WeakPolarHBondContact CA-O 3.03Å; M63-G79 PolarHBondContact N-O 3.18Å; G79-V148 CarbonylContact C-O 3.59Å; G79-V148 WeakPolarHBondContact CA-O 3.33Å
80	W	83	Confident	69.1	Low	22 Å²	22	66.1 Å²	66.1	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.1	171.7	-58.4	-75.3	0	0	0	109.7	M63 L65 F78 F147 V148 L150 L161	M63-W80 WeakPolarHBondContact O-CA 2.93Å; L65-W80 HydrophobicContact CD1-CB 3.83Å; L65-W80 HydrophobicContact CD1-CD2 4.29Å; L65-W80 HydrophobicContact CD1-CG 3.72Å; L65-W80 HydrophobicContact CD2-CD2 4.24Å; L65-W80 HydrophobicContact CD2-CG 3.91Å; L65-W80 VanDerWaalsContact CD2-NE1 3.3Å; L65-W80 HydrophobicContact CG-CB 3.99Å; L65-W80 HydrophobicContact CG-CD2 4.36Å; L65-W80 HydrophobicContact CG-CG 3.6Å; F78-W80 HydrophobicContact CB-CE3 4.46Å; F78-W80 HydrophobicContact CB-CH2 3.44Å; F78-W80 VanDerWaalsContact CB-CH2 3.44Å; F78-W80 HydrophobicContact CB-CZ2 3.63Å; F78-W80 HydrophobicContact CB-CZ3 3.89Å; F78-W80 HydrophobicContact CD1-CZ2 4.13Å; F78-W80 HydrophobicContact CG-CH2 4.03Å; F78-W80 AromaticContact CG-CZ2 3.95Å; F78-W80 HydrophobicContact CG-CZ2 3.95Å; W80-F147 WeakPolarHBondContact O-CA 3.41Å; W80-F147 WeakPolarHBondContact O-CD2 3.38Å; W80-V148 HydrophobicContact CB-CB 4.32Å; W80-V148 HydrophobicContact CE3-CB 3.99Å; W80-V148 HydrophobicContact CE3-CG1 3.78Å; W80-V148 HydrophobicContact CZ3-CG1 4.2Å; W80-V148 PolarHBondContact N-O 2.91Å; W80-V148 PolarHBondContact O-N 2.85Å; W80-L150 HydrophobicContact CH2-CB 4.27Å; W80-L150 HydrophobicContact CH2-CD2 4.47Å; W80-L150 HydrophobicContact CZ3-CB 4Å; W80-L161 HydrophobicContact CH2-CD2 3.63Å; W80-L161 HydrophobicContact CZ3-CD2 3.82Å
81	L	83.3	Confident	71	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.3	174.1	-179.7	71.4	0	0	0	109.2	M63 D114 F147 T802	M63-L81 PolarHBondContact O-N 2.92Å; L81-D114 HydrophobicContact CD1-CB 4.29Å; L81-F147 HydrophobicContact CB-CD2 4.43Å; L81-F147 HydrophobicContact CD1-CD2 4.4Å; L81-T802 HydrophobicContact CD2-CG2 3.62Å; L81-T802 WeakPolarHBondContact CD2-OG1 3.08Å
82	L	84.7	Confident	73.4	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125	176.2	-55.3	177.1	0	0	0	108.9	L65 L92 I94 Q145 A146 V148 Y165	L65-L82 HydrophobicContact CB-CD2 4.42Å; L65-L82 HydrophobicContact CD1-CD2 4.16Å; L82-L92 HydrophobicContact CB-CD1 3.46Å; L82-L92 VanDerWaalsContact CB-CD1 3.46Å; L82-L92 HydrophobicContact CD1-CD1 4.18Å; L82-L92 HydrophobicContact CD1-CD2 3.74Å; L82-L92 HydrophobicContact CG-CD1 4.46Å; L82-I94 HydrophobicContact CD1-CD1 4.3Å; L82-I94 HydrophobicContact CD1-CG1 4.32Å; L82-Q145 CarbonylContact O-C 3.57Å; L82-Q145 VanDerWaalsContact O-CA 3.3Å; L82-Q145 WeakPolarHBondContact O-CA 3.28Å; L82-A146 HydrophobicContact CB-CB 4.31Å; L82-A146 HydrophobicContact CD1-CB 4.46Å; L82-A146 PolarHBondContact N-O 3.35Å; L82-A146 PolarHBondContact O-N 3.05Å; L82-V148 HydrophobicContact CD1-CG2 4.5Å; L82-Y165 HydrophobicContact CD1-CD1 4.09Å; L82-Y165 HydrophobicContact CD1-CD2 4.25Å; L82-Y165 HydrophobicContact CD1-CG 3.81Å; L82-Y165 HydrophobicContact CD2-CD1 3.9Å; L82-Y165 HydrophobicContact CD2-CD2 4.33Å; L82-Y165 HydrophobicContact CD2-CE1 3.78Å; L82-Y165 HydrophobicContact CD2-CE2 4.22Å; L82-Y165 HydrophobicContact CD2-CG 4.19Å
83	N	82.3	Confident	75.3	Confident	47 Å²	47	57.4 Å²	57.4	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	97.8	-177.2	-176.8	7.8	0	0	0	110.9	R85 N86 Q145	N83-R85 VanDerWaalsContact OD1-CB 3.28Å; N83-R85 WeakPolarHBondContact OD1-CB 3.34Å; N83-R85 PolarHBondContact OD1-N 3.49Å; N83-R85 VanDerWaalsContact OD1-N 3.1Å; N83-N86 PolarHBondContact ND2-OD1 2.98Å; N83-Q145 VanDerWaalsContact CG-NE2 3.28Å; N83-Q145 PolarHBondContact ND2-NE2 2.99Å; N83-Q145 PolarHBondContact OD1-NE2 2.71Å
84	G	80.9	Confident	77.3	Confident	0 Å²	0	53 Å²	53	0%	0	24%	0.244	C	C	.	.			trans	-89	-7.9	172.9	0	0	0	0	0	114.1	N86 Q87 N88 F89 G144	G84-N86 VanDerWaalsContact C-N 3.29Å; G84-N86 PolarHBondContact O-N 3.23Å; G84-Q87 CarbonylContact O-C 3.39Å; G84-Q87 PolarHBondContact O-N 2.82Å; G84-N88 PolarHBondContact O-N 3.09Å; G84-F89 PolarHBondContact O-N 2.87Å; G84-G144 WeakPolarHBondContact CA-O 3.49Å; G84-G144 PolarHBondContact N-O 3.03Å
85	R	79.1	Confident	78.9	Confident	161 Å²	161	51.9 Å²	51.9	61%	0.608	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-63.2	-33.4	-174.7	-164.7	177	-178.7	-177.7	0.6	113	N83 Q87 N88 G144 Q145	N83-R85 VanDerWaalsContact OD1-CB 3.28Å; N83-R85 WeakPolarHBondContact OD1-CB 3.34Å; N83-R85 PolarHBondContact OD1-N 3.49Å; N83-R85 VanDerWaalsContact OD1-N 3.1Å; R85-Q87 PolarHBondContact O-N 3.25Å; R85-Q87 VanDerWaalsContact O-N 3.15Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 VanDerWaalsContact O-N 3.08Å; R85-G144 PolarHBondContact N-O 2.93Å; R85-Q145 HydrophobicContact CB-CG 4.31Å
86	N	77.9	Confident	79.9	Confident	121 Å²	121	47.8 Å²	47.8	65%	0.647	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-62.9	-19.4	176.1	-66.6	7.8	0	0	0	112.9	N83 G84	N83-N86 PolarHBondContact ND2-OD1 2.98Å; G84-N86 VanDerWaalsContact C-N 3.29Å; G84-N86 PolarHBondContact O-N 3.23Å
87	Q	78.7	Confident	80.3	Confident	126 Å²	126	51 Å²	51	59%	0.589	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-112.1	15.9	179.1	-66.6	174.4	-16.6	0	0	111.9	G84 R85 F89	G84-Q87 CarbonylContact O-C 3.39Å; G84-Q87 PolarHBondContact O-N 2.82Å; R85-Q87 PolarHBondContact O-N 3.25Å; R85-Q87 VanDerWaalsContact O-N 3.15Å; Q87-F89 VanDerWaalsContact C-N 3.28Å; Q87-F89 HydrophobicContact CB-CD2 3.58Å; Q87-F89 HydrophobicContact CB-CE2 3.57Å; Q87-F89 HydrophobicContact CG-CE2 4.49Å; Q87-F89 PolarHBondContact O-N 3.48Å
88	N	81.4	Confident	80.1	Confident	131 Å²	131	50.3 Å²	50.3	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	24	-179.8	-62.9	-24.8	0	0	0	116.1	G84 R85	G84-N88 PolarHBondContact O-N 3.09Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 VanDerWaalsContact O-N 3.08Å
89	F	82.6	Confident	79.6	Confident	41 Å²	41	48.5 Å²	48.5	18%	0.18	23%	0.229	C	C	.	.			trans	-76.1	135.6	172.2	-68.8	-79.4	0	0	0	111.8	G84 Q87 G144 L167 H169	G84-F89 PolarHBondContact O-N 2.87Å; Q87-F89 VanDerWaalsContact C-N 3.28Å; Q87-F89 HydrophobicContact CB-CD2 3.58Å; Q87-F89 HydrophobicContact CB-CE2 3.57Å; Q87-F89 HydrophobicContact CG-CE2 4.49Å; Q87-F89 PolarHBondContact O-N 3.48Å; F89-G144 VanDerWaalsContact O-CA 3.31Å; F89-G144 WeakPolarHBondContact O-CA 3.44Å; F89-L167 HydrophobicContact CB-CB 4.2Å; F89-L167 HydrophobicContact CB-CD2 4.47Å; F89-L167 HydrophobicContact CD1-CB 3.66Å; F89-L167 HydrophobicContact CD2-CB 3.7Å; F89-L167 HydrophobicContact CD2-CD1 3.75Å; F89-L167 HydrophobicContact CD2-CG 4.23Å; F89-L167 HydrophobicContact CE1-CB 3.79Å; F89-L167 WeakPolarHBondContact CE1-O 3.4Å; F89-L167 HydrophobicContact CE2-CB 3.86Å; F89-L167 HydrophobicContact CE2-CD1 3.87Å; F89-L167 HydrophobicContact CG-CB 3.6Å; F89-L167 HydrophobicContact CG-CD1 4.43Å; F89-L167 HydrophobicContact CG-CG 4.43Å; F89-L167 HydrophobicContact CZ-CB 3.91Å; F89-H169 AromaticContact CD1-CE1 3.45Å; F89-H169 VanDerWaalsContact CD1-CE1 3.45Å; F89-H169 WeakPolarHBondContact CD1-CE1 3.33Å; F89-H169 AromaticContact CD1-ND1 3.38Å; F89-H169 WeakPolarHBondContact CD1-ND1 3.22Å; F89-H169 AromaticContact CE1-CE1 3.23Å; F89-H169 WeakPolarHBondContact CE1-CE1 3.4Å; F89-H169 AromaticContact CE1-ND1 3.31Å; F89-H169 VanDerWaalsContact CE1-ND1 3.31Å; F89-H169 WeakPolarHBondContact CE1-ND1 3.22Å; F89-H169 AromaticContact CZ-CE1 3.87Å
90	T	85.1	Confident	78.6	Confident	50 Å²	50	50.1 Å²	50.1	31%	0.307	24%	0.235	S	C	.	.			trans	-91.9	-36.3	177.9	-48.5	0	0	0	0	112	T142 G144 D168	T90-T142 CarbonylContact O-C 3.57Å; T90-T142 VanDerWaalsContact O-C 3.29Å; T90-G144 PolarHBondContact O-N 2.87Å; T90-D168 PolarHBondContact N-O 2.83Å
91	Y	86.7	Confident	77.3	Confident	46 Å²	46	49.4 Å²	49.4	18%	0.18	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.2	-174.8	-61.1	-80.4	0	0	0	111.4	V140 T141 T142 D168 H169 L171	Y91-V140 HydrophobicContact CD1-CG1 3.83Å; Y91-V140 HydrophobicContact CG-CG1 4.39Å; Y91-T141 WeakPolarHBondContact CA-O 3.34Å; Y91-T142 HydrophobicContact CD1-CG2 4.16Å; Y91-T142 HydrophobicContact CE1-CG2 3.93Å; Y91-D168 PolarHBondContact N-O 2.8Å; Y91-D168 PolarHBondContact O-N 2.57Å; Y91-D168 VanDerWaalsContact O-O 3.11Å; Y91-H169 WeakPolarHBondContact CD2-O 3.37Å; Y91-H169 WeakPolarHBondContact CE2-O 3.46Å; Y91-L171 HydrophobicContact CD1-CD1 4.22Å; Y91-L171 HydrophobicContact CE1-CB 4.45Å; Y91-L171 HydrophobicContact CE1-CD1 4.36Å
92	L	86.7	Confident	75.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.2	170.9	-162.7	153.4	0	0	0	108.8	L82 I94 V140 T141 A146 L167	L82-L92 HydrophobicContact CB-CD1 3.46Å; L82-L92 VanDerWaalsContact CB-CD1 3.46Å; L82-L92 HydrophobicContact CD1-CD1 4.18Å; L82-L92 HydrophobicContact CD1-CD2 3.74Å; L82-L92 HydrophobicContact CG-CD1 4.46Å; L92-I94 HydrophobicContact CD2-CD1 3.73Å; L92-I94 HydrophobicContact CD2-CG1 3.22Å; L92-V140 CarbonylContact O-C 3.57Å; L92-V140 WeakPolarHBondContact O-CA 3.42Å; L92-T141 WeakPolarHBondContact CB-OG1 3.3Å; L92-T141 PolarHBondContact N-O 3.02Å; L92-T141 VanDerWaalsContact N-O 3.14Å; L92-T141 PolarHBondContact O-N 3.34Å; L92-A146 HydrophobicContact CD1-CB 4.17Å; L92-A146 HydrophobicContact CD2-CB 3.98Å; L92-L167 HydrophobicContact CB-CD2 4.27Å; L92-L167 HydrophobicContact CD1-CD2 3.54Å; L92-L167 HydrophobicContact CG-CD2 3.73Å
93	H	84.3	Confident	74.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121	178.1	-69	-98	0	0	0	108.8	E138 F139 V140 Y165 R166 D168 N172	H93-E138 HydrophobicContact CB-CG 3.88Å; H93-E138 WeakPolarHBondContact CB-OE1 3.32Å; H93-E138 IonicContact CG-OE1 2.75Å; H93-E138 IonicContact ND1-OE1 3.93Å; H93-E138 IonicContact ND1-OE2 3.55Å; H93-F139 CarbonylContact C-O 3.51Å; H93-F139 VanDerWaalsContact CA-O 3.32Å; H93-F139 WeakPolarHBondContact CA-O 3.48Å; H93-V140 VanDerWaalsContact CE1-CG2 3.43Å; H93-V140 WeakPolarHBondContact CE1-CG2 3.23Å; H93-V140 WeakPolarHBondContact ND1-CG2 3.35Å; H93-Y165 CarbonylContact O-C 3.59Å; H93-Y165 WeakPolarHBondContact O-CA 2.98Å; H93-Y165 WeakPolarHBondContact O-CB 3.46Å; H93-R166 HydrophobicContact CB-CG 3.51Å; H93-R166 PolarHBondContact N-O 3.27Å; H93-R166 PolarHBondContact ND1-NH2 3Å; H93-R166 VanDerWaalsContact ND1-NH2 3.13Å; H93-R166 PolarHBondContact O-N 2Å; H93-D168 IonicContact CD2-OD2 2.64Å; H93-D168 PolarHBondContact CD2-OD2 2.89Å; H93-D168 IonicContact CG-OD2 3.86Å; H93-D168 IonicContact NE2-OD2 2.9Å; H93-D168 PolarHBondContact NE2-OD2 3.05Å; H93-N172 PolarHBondContact CE1-N 2.04Å; H93-N172 PolarHBondContact CE1-OD1 2.81Å; H93-N172 PolarHBondContact ND1-OD1 2.83Å; H93-N172 PolarHBondContact NE2-N 2.94Å
94	I	83.8	Confident	72.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.3	178.4	-60.5	173.2	0	0	0	107.3	L82 L92 V110 E138 F139 T141 A146 V148 V163	L82-I94 HydrophobicContact CD1-CD1 4.3Å; L82-I94 HydrophobicContact CD1-CG1 4.32Å; L92-I94 HydrophobicContact CD2-CD1 3.73Å; L92-I94 HydrophobicContact CD2-CG1 3.22Å; I94-V110 HydrophobicContact CD1-CG1 3.37Å; I94-V110 HydrophobicContact CD1-CG2 4.5Å; I94-E138 CarbonylContact O-C 3.58Å; I94-E138 WeakPolarHBondContact O-CA 3.32Å; I94-F139 PolarHBondContact N-O 3.3Å; I94-F139 PolarHBondContact O-N 2.81Å; I94-T141 HydrophobicContact CD1-CG2 4.28Å; I94-A146 HydrophobicContact CD1-CB 3.53Å; I94-V148 HydrophobicContact CD1-CG2 3.72Å; I94-V163 HydrophobicContact CG2-CG1 3.51Å
95	R	79.6	Confident	71.7	Confident	108 Å²	108	54.1 Å²	54.1	41%	0.408	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.9	178.7	177.7	175.9	-175.8	-178.6	-7.1	110.8	E97 K137 V163 S164	R95-E97 HydrophobicContact CG-CG 4.21Å; R95-K137 CarbonylContact C-O 3.41Å; R95-K137 WeakPolarHBondContact CA-O 3.3Å; R95-K137 VanDerWaalsContact CG-O 3.23Å; R95-K137 WeakPolarHBondContact CG-O 3.46Å; R95-V163 CarbonylContact O-C 3.15Å; R95-V163 VanDerWaalsContact O-CA 3.32Å; R95-V163 WeakPolarHBondContact O-CA 3.46Å; R95-S164 WeakPolarHBondContact CB-OG 3.25Å; R95-S164 PolarHBondContact N-O 2.88Å; R95-S164 PolarHBondContact O-N 2.83Å
96	I	75.1	Confident	71.1	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.4	175	-54	179.9	0	0	0	107.5	F99 L108 L124 A133 K137 F139 V163	I96-F99 HydrophobicContact CG2-CB 3.95Å; I96-L108 HydrophobicContact CD1-CD2 3.5Å; I96-L108 VanDerWaalsContact CD1-CD2 3.5Å; I96-L108 HydrophobicContact CG1-CD2 4.36Å; I96-L124 HydrophobicContact CD1-CD1 3.43Å; I96-L124 VanDerWaalsContact CD1-CD1 3.43Å; I96-L124 HydrophobicContact CD1-CG 4.35Å; I96-A133 HydrophobicContact CB-CB 3.78Å; I96-A133 HydrophobicContact CD1-CB 4.42Å; I96-A133 HydrophobicContact CG2-CB 3.51Å; I96-K137 PolarHBondContact N-O 3.04Å; I96-F139 HydrophobicContact CD1-CD2 4.16Å; I96-F139 HydrophobicContact CD1-CE2 3.6Å; I96-F139 HydrophobicContact CG1-CD2 4.36Å; I96-F139 HydrophobicContact CG1-CE2 4.07Å; I96-V163 HydrophobicContact CG1-CG2 4.41Å
97	E	69.2	Low	71.1	Confident	88 Å²	88	41 Å²	41	41%	0.411	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-37.8	-176.2	-56.4	-168.7	167.1	0	0	111.7	R95 N162 S164	R95-E97 HydrophobicContact CG-CG 4.21Å; E97-N162 HydrophobicContact CB-CB 4.12Å; E97-N162 PolarHBondContact N-O 2.79Å; E97-N162 PolarHBondContact OE2-ND2 2.83Å; E97-S164 WeakPolarHBondContact OE1-CB 3.09Å; E97-S164 PolarHBondContact OE1-OG 3.17Å
98	N	64.6	Low	71.3	Confident	33 Å²	33	35 Å²	35	18%	0.176	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.5	173.4	-168.8	36.5	0	0	0	110.5	A159 N162	N98-A159 PolarHBondContact ND2-O 3.4Å; N98-N162 HydrophobicContact CB-CB 4.03Å; N98-N162 PolarHBondContact N-O 3.11Å; N98-N162 PolarHBondContact O-N 2.82Å
99	F	62.9	Low	71.6	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	90.6	173.3	-165.8	-88.6	0	0	0	108.9	I96 N101 L108 L124 A129 K130 A133 L150 L161	I96-F99 HydrophobicContact CG2-CB 3.95Å; F99-N101 HydrophobicContact CD1-CB 4.04Å; F99-N101 HydrophobicContact CE1-CB 3.46Å; F99-N101 VanDerWaalsContact CE1-CB 3.46Å; F99-N101 VanDerWaalsContact CE1-ND2 3.28Å; F99-N101 WeakPolarHBondContact CE1-ND2 3.39Å; F99-N101 HydrophobicContact CZ-CB 3.88Å; F99-L108 HydrophobicContact CD2-CB 4.39Å; F99-L108 HydrophobicContact CD2-CD2 3.98Å; F99-L108 HydrophobicContact CE2-CB 3.47Å; F99-L108 VanDerWaalsContact CE2-CB 3.47Å; F99-L108 HydrophobicContact CE2-CD2 3.83Å; F99-L108 HydrophobicContact CE2-CG 4.16Å; F99-L108 HydrophobicContact CZ-CB 3.77Å; F99-L124 HydrophobicContact CD2-CD1 4.49Å; F99-L124 HydrophobicContact CG-CD1 4.48Å; F99-A129 HydrophobicContact CD1-CB 3Å; F99-A129 HydrophobicContact CE1-CB 3Å; F99-A129 HydrophobicContact CG-CB 3.98Å; F99-A129 HydrophobicContact CZ-CB 4.08Å; F99-K130 WeakPolarHBondContact O-CA 3.48Å; F99-K130 WeakPolarHBondContact O-CB 3.45Å; F99-K130 WeakPolarHBondContact O-CG 3.03Å; F99-A133 HydrophobicContact CB-CB 4.26Å; F99-L150 HydrophobicContact CE2-CD1 3.98Å; F99-L150 HydrophobicContact CZ-CD1 4.19Å; F99-L161 HydrophobicContact CD2-CD1 3.33Å; F99-L161 HydrophobicContact CE2-CD1 3.78Å; F99-L161 HydrophobicContact CG-CD1 4.44Å
100	E	58.7	Low	72	Confident	39 Å²	39	26.8 Å²	26.8	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.3	170.1	-60	-160.6	148.8	0	0	108.8	K130 M158 A159 G160	E100-K130 HydrophobicContact CG-CD 4.04Å; E100-K130 WeakPolarHBondContact OE1-CE 3.31Å; E100-K130 IonicContact OE1-NZ 2.77Å; E100-K130 PolarHBondContact OE1-NZ 3.37Å; E100-M158 VanDerWaalsContact C-CE 3.43Å; E100-M158 HydrophobicContact CB-CB 3.88Å; E100-M158 HydrophobicContact CB-CE 3.99Å; E100-M158 HydrophobicContact CB-SD 4.24Å; E100-A159 HydrophobicContact CB-CB 4.5Å; E100-A159 HydrophobicContact CG-CB 4.34Å; E100-A159 WeakPolarHBondContact OE2-CB 3.42Å; E100-A159 PolarHBondContact OE2-N 3Å; E100-G160 PolarHBondContact N-O 3.46Å
101	N	55.6	Low	72.3	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.037	11%	0.113	C	C	.	.			trans	-113.1	144.4	-176.9	68.7	-35.3	0	0	0	113.9	F99 C103 D106 G126 M158	F99-N101 HydrophobicContact CD1-CB 4.04Å; F99-N101 HydrophobicContact CE1-CB 3.46Å; F99-N101 VanDerWaalsContact CE1-CB 3.46Å; F99-N101 VanDerWaalsContact CE1-ND2 3.28Å; F99-N101 WeakPolarHBondContact CE1-ND2 3.39Å; F99-N101 HydrophobicContact CZ-CB 3.88Å; N101-C103 VanDerWaalsContact C-N 3.32Å; N101-C103 PolarHBondContact O-N 3.01Å; N101-D106 HydrophobicContact CB-CB 3.61Å; N101-D106 VanDerWaalsContact ND2-CB 3.33Å; N101-D106 WeakPolarHBondContact ND2-CB 3.28Å; N101-D106 PolarHBondContact ND2-O 2.65Å; N101-D106 VanDerWaalsContact ND2-O 3.17Å; N101-G126 VanDerWaalsContact ND2-C 3.33Å; N101-G126 PolarHBondContact ND2-O 2.94Å; N101-G126 PolarHBondContact OD1-O 3.47Å; N101-M158 VanDerWaalsContact N-CE 3.27Å; N101-M158 WeakPolarHBondContact O-CE 3.33Å
102	E	50.9	Low	72.5	Confident	6 Å²	6	23.5 Å²	23.5	3%	0.028	11%	0.111	C	C	.	.	S	Bend	trans	-70.5	-21.4	-158.1	-49.5	-155.4	154.6	0	0	114.3	Y72 D106 A155 C156 C481	Y72-E102 HydrophobicContact CE2-CG 4.23Å; E102-D106 PolarHBondContact N-OD2 3.07Å; E102-A155 PolarHBondContact OE2-N 3.12Å; E102-C156 HydrophobicContact CB-CB 4.07Å; E102-C156 WeakPolarHBondContact CB-O 3.17Å; E102-C156 WeakPolarHBondContact CG-O 3.5Å; E102-C156 VanDerWaalsContact OE1-C 3.26Å; E102-C156 PolarHBondContact OE2-N 3.48Å; E102-C481 PolarHBondContact O-SG 3.35Å
103	C	52.7	Low	72.7	Confident	18 Å²	18	23.7 Å²	23.7	12%	0.122	11%	0.114	C	C	.	.	S	Bend	trans	-158.7	164.3	-163	-86.9	0	0	0	0	113.6	N101 L105 D106 G126 A155	N101-C103 VanDerWaalsContact C-N 3.32Å; N101-C103 PolarHBondContact O-N 3.01Å; C103-L105 HydrophobicContact CB-CB 4.29Å; C103-L105 PolarHBondContact O-N 3.06Å; C103-D106 PolarHBondContact O-N 3.09Å; C103-G126 WeakPolarHBondContact O-CA 3.36Å; C103-A155 WeakPolarHBondContact SG-CB 3.46Å
104	Q	51.7	Low	72.9	Confident	100 Å²	100	24.3 Å²	24.3	47%	0.467	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.3	165.4	-68.4	-176	4.9	0	0	113.9
105	L	57.9	Low	73.1	Confident	56 Å²	56	24.3 Å²	24.3	29%	0.293	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-12.8	-173	-59	170.8	0	0	0	113.5	C103 L743 W755	C103-L105 HydrophobicContact CB-CB 4.29Å; C103-L105 PolarHBondContact O-N 3.06Å; L105-L743 HydrophobicContact CD2-CD2 3.49Å; L105-L743 VanDerWaalsContact CD2-CD2 3.49Å; L105-L743 HydrophobicContact CD2-CG 4.22Å; L105-W755 HydrophobicContact CD1-CZ2 4.01Å; L105-W755 HydrophobicContact CD2-CZ2 3.98Å; L105-W755 HydrophobicContact CG-CZ2 4.45Å
106	D	67	Low	73.5	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.			trans	-82.3	128.6	178.6	-69.9	14.2	0	0	0	108.7	N101 E102 C103 G126 H151 S152 G153	N101-D106 HydrophobicContact CB-CB 3.61Å; N101-D106 VanDerWaalsContact ND2-CB 3.33Å; N101-D106 WeakPolarHBondContact ND2-CB 3.28Å; N101-D106 PolarHBondContact ND2-O 2.65Å; N101-D106 VanDerWaalsContact ND2-O 3.17Å; E102-D106 PolarHBondContact N-OD2 3.07Å; C103-D106 PolarHBondContact O-N 3.09Å; D106-G126 PolarHBondContact O-N 2.84Å; D106-H151 CarbonylContact C-O 3.54Å; D106-H151 VanDerWaalsContact CA-O 3.23Å; D106-H151 WeakPolarHBondContact CA-O 3.45Å; D106-S152 WeakPolarHBondContact OD1-CA 3.3Å; D106-S152 PolarHBondContact OD1-OG 3.19Å; D106-S152 PolarHBondContact OD2-OG 3.3Å; D106-G153 PolarHBondContact OD1-N 2.82Å
107	S	77.7	Confident	74.1	Confident	6 Å²	6	22 Å²	22	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.2	-177.8	68.4	0	0	0	0	112.7	H109 L124 L150 H151	S107-H109 VanDerWaalsContact CB-NE2 3.32Å; S107-H109 WeakPolarHBondContact CB-NE2 3.09Å; S107-H109 PolarHBondContact OG-NE2 2.89Å; S107-L124 CarbonylContact C-O 3.44Å; S107-L124 WeakPolarHBondContact CA-O 3.09Å; S107-L150 CarbonylContact O-C 3.52Å; S107-L150 WeakPolarHBondContact O-CA 3.39Å; S107-H151 PolarHBondContact N-O 3.23Å; S107-H151 PolarHBondContact O-N 2.96Å
108	L	83.6	Confident	75.1	Confident	1 Å²	1	19 Å²	19	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	170.3	-179.7	79.4	0	0	0	109.1	I96 F99 S123 L124 V148 Y149 L150 L161	I96-L108 HydrophobicContact CD1-CD2 3.5Å; I96-L108 VanDerWaalsContact CD1-CD2 3.5Å; I96-L108 HydrophobicContact CG1-CD2 4.36Å; F99-L108 HydrophobicContact CD2-CB 4.39Å; F99-L108 HydrophobicContact CD2-CD2 3.98Å; F99-L108 HydrophobicContact CE2-CB 3.47Å; F99-L108 VanDerWaalsContact CE2-CB 3.47Å; F99-L108 HydrophobicContact CE2-CD2 3.83Å; F99-L108 HydrophobicContact CE2-CG 4.16Å; F99-L108 HydrophobicContact CZ-CB 3.77Å; L108-S123 CarbonylContact O-C 3.55Å; L108-L124 HydrophobicContact CB-CB 4.23Å; L108-L124 HydrophobicContact CD2-CD1 4.19Å; L108-L124 PolarHBondContact N-O 2.8Å; L108-L124 PolarHBondContact O-N 3.4Å; L108-V148 HydrophobicContact CD1-CG1 3.67Å; L108-V148 HydrophobicContact CG-CG1 4.43Å; L108-Y149 CarbonylContact C-O 3.38Å; L108-Y149 WeakPolarHBondContact CA-O 3.43Å; L108-L150 HydrophobicContact CB-CD1 4.22Å; L108-L150 HydrophobicContact CD1-CB 3.92Å; L108-L150 HydrophobicContact CD1-CD1 4.17Å; L108-L161 HydrophobicContact CD1-CD2 4.08Å; L108-L161 HydrophobicContact CD2-CD1 4.16Å
109	H	88.1	Confident	76.2	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.3	179.7	-56.3	-79.7	0	0	0	110	S107 F111 V122 S123 V148 Y149 G750	S107-H109 VanDerWaalsContact CB-NE2 3.32Å; S107-H109 WeakPolarHBondContact CB-NE2 3.09Å; S107-H109 PolarHBondContact OG-NE2 2.89Å; H109-F111 HydrophobicContact CB-CD2 4.29Å; H109-F111 HydrophobicContact CB-CE2 3.43Å; H109-F111 VanDerWaalsContact CB-CE2 3.43Å; H109-F111 HydrophobicContact CB-CZ 3.72Å; H109-V122 WeakPolarHBondContact CA-O 3.12Å; H109-S123 PolarHBondContact CE1-OG 3.31Å; H109-S123 PolarHBondContact ND1-OG 3.14Å; H109-S123 VanDerWaalsContact ND1-OG 3.11Å; H109-V148 CarbonylContact O-C 3.28Å; H109-V148 WeakPolarHBondContact O-CA 3.27Å; H109-Y149 PolarHBondContact N-O 3.45Å; H109-Y149 PolarHBondContact O-N 2.84Å; H109-G750 PolarHBondContact CE1-O 3.5Å
110	V	90.3	Very high	77.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.6	172	-179.8	0	0	0	0	108	I94 V121 V122 T141 F147 V148	I94-V110 HydrophobicContact CD1-CG1 3.37Å; I94-V110 HydrophobicContact CD1-CG2 4.5Å; V110-V121 PolarHBondContact O-N 3.32Å; V110-V122 HydrophobicContact CB-CB 3.88Å; V110-V122 HydrophobicContact CB-CG2 4.01Å; V110-V122 HydrophobicContact CG2-CB 4.04Å; V110-V122 HydrophobicContact CG2-CG2 4.24Å; V110-V122 PolarHBondContact N-O 3.24Å; V110-V122 PolarHBondContact O-N 2.96Å; V110-T141 HydrophobicContact CG1-CG2 4.24Å; V110-F147 WeakPolarHBondContact CA-O 3.47Å; V110-V148 HydrophobicContact CG1-CG2 4.5Å; V110-V148 HydrophobicContact CG2-CG1 4.39Å; V110-V148 HydrophobicContact CG2-CG2 4.31Å
111	F	91.7	Very high	79	Confident	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137	178.6	-55.2	-93.3	0	0	0	110.1	H109 G113 G115 I116 S118 N119 R120 A146 F147 I753	H109-F111 HydrophobicContact CB-CD2 4.29Å; H109-F111 HydrophobicContact CB-CE2 3.43Å; H109-F111 VanDerWaalsContact CB-CE2 3.43Å; H109-F111 HydrophobicContact CB-CZ 3.72Å; F111-G113 PolarHBondContact O-N 2.68Å; F111-G115 WeakPolarHBondContact CB-O 3.18Å; F111-I116 HydrophobicContact CE1-CB 4.44Å; F111-I116 WeakPolarHBondContact CE1-O 3.02Å; F111-I116 HydrophobicContact CE2-CB 4.32Å; F111-I116 HydrophobicContact CE2-CG2 4Å; F111-I116 HydrophobicContact CZ-CB 4.12Å; F111-I116 HydrophobicContact CZ-CG2 4.2Å; F111-S118 WeakPolarHBondContact CD1-O 3.4Å; F111-N119 CarbonylContact C-O 3.56Å; F111-N119 WeakPolarHBondContact CA-O 3.04Å; F111-R120 HydrophobicContact CD1-CB 3.83Å; F111-R120 HydrophobicContact CD1-CG 3.98Å; F111-R120 HydrophobicContact CE1-CB 3.89Å; F111-R120 HydrophobicContact CE1-CG 3.79Å; F111-R120 HydrophobicContact CZ-CG 4.36Å; F111-A146 CarbonylContact O-C 3.59Å; F111-A146 VanDerWaalsContact O-CA 3.25Å; F111-A146 WeakPolarHBondContact O-CA 3.26Å; F111-F147 HydrophobicContact CB-CB 4.28Å; F111-F147 AromaticContact CD2-CD1 3.85Å; F111-F147 HydrophobicContact CD2-CD1 3.85Å; F111-F147 WeakPolarHBondContact CD2-O 3.46Å; F111-F147 HydrophobicContact CE2-CD1 4.33Å; F111-F147 PolarHBondContact N-O 3.3Å; F111-F147 PolarHBondContact O-N 2.97Å; F111-I753 HydrophobicContact CE1-CD1 4.45Å; F111-I753 HydrophobicContact CZ-CD1 3.77Å
112	D	91.8	Very high	80.5	Confident	25 Å²	25	23 Å²	23	13%	0.134	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	82.4	173.4	-171.2	3.8	0	0	0	109.4	S118 N119 V121 T141 T142 S143	D112-S118 WeakPolarHBondContact O-CB 3.35Å; D112-N119 PolarHBondContact N-O 3.36Å; D112-V121 HydrophobicContact CB-CG2 3.62Å; D112-T141 HydrophobicContact CB-CG2 4.32Å; D112-T141 VanDerWaalsContact OD1-CB 3.25Å; D112-T141 WeakPolarHBondContact OD1-CB 3.4Å; D112-T142 VanDerWaalsContact CG-N 3.27Å; D112-T142 PolarHBondContact OD1-N 2.82Å; D112-T142 VanDerWaalsContact OD1-N 3.08Å; D112-T142 PolarHBondContact OD2-N 2.78Å; D112-T142 PolarHBondContact OD2-OG1 3.49Å; D112-S143 WeakPolarHBondContact OD1-CB 3.05Å; D112-S143 PolarHBondContact OD1-N 3.31Å; D112-S143 PolarHBondContact OD1-OG 3.01Å
113	G	90	Very high	82.2	Confident	5 Å²	5	22.7 Å²	22.7	5%	0.052	12%	0.118	C	C	.	.	S	Bend	trans	153.9	-152.6	-178.8	0	0	0	0	0	112.5	F111 S118 S143 Q145 A146 F147	F111-G113 PolarHBondContact O-N 2.68Å; G113-S118 WeakPolarHBondContact CA-OG 3.24Å; G113-S143 PolarHBondContact N-OG 3.19Å; G113-Q145 PolarHBondContact N-O 3.22Å; G113-A146 CarbonylContact O-C 3.5Å; G113-A146 WeakPolarHBondContact O-CA 3.17Å; G113-A146 PolarHBondContact O-N 3.16Å; G113-F147 PolarHBondContact O-N 2.98Å; G113-F147 VanDerWaalsContact O-N 3.16Å
114	D	87.7	Confident	83.5	Confident	13 Å²	13	21.9 Å²	21.9	7%	0.07	11%	0.112	C	C	.	.	S	Bend	trans	-106	5.5	-164.5	72.7	-51	0	0	0	114.8	L81 S118 S801 T802 N803	L81-D114 HydrophobicContact CD1-CB 4.29Å; D114-S118 PolarHBondContact N-OG 3.1Å; D114-S118 VanDerWaalsContact N-OG 3.14Å; D114-S118 PolarHBondContact OD1-OG 2.82Å; D114-S801 WeakPolarHBondContact OD2-CB 3.33Å; D114-S801 PolarHBondContact OD2-OG 3.17Å; D114-S801 VanDerWaalsContact OD2-OG 3.06Å; D114-T802 PolarHBondContact O-N 3.5Å; D114-T802 PolarHBondContact O-OG1 3.49Å; D114-T802 PolarHBondContact OD2-N 2.83Å; D114-T802 VanDerWaalsContact OD2-N 3.09Å; D114-N803 WeakPolarHBondContact OD2-CB 3.19Å; D114-N803 PolarHBondContact OD2-N 2.88Å; D114-N803 PolarHBondContact OD2-ND2 3.4Å
115	G	88.5	Confident	84.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-177.5	-172.4	177.7	0	0	0	0	0	113.7	F111 Y117 S118	F111-G115 WeakPolarHBondContact CB-O 3.18Å; G115-Y117 PolarHBondContact O-N 2.83Å; G115-S118 PolarHBondContact N-OG 2.77Å; G115-S118 WeakPolarHBondContact O-CB 3.21Å; G115-S118 PolarHBondContact O-N 3.1Å; G115-S118 PolarHBondContact O-OG 3Å
116	I	88	Confident	84.5	Confident	22 Å²	22	15.1 Å²	15.1	11%	0.113	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.7	-178.4	63.4	154.3	0	0	0	114.6	F111 S118 F147 P781 N782	F111-I116 HydrophobicContact CE1-CB 4.44Å; F111-I116 WeakPolarHBondContact CE1-O 3.02Å; F111-I116 HydrophobicContact CE2-CB 4.32Å; F111-I116 HydrophobicContact CE2-CG2 4Å; F111-I116 HydrophobicContact CZ-CB 4.12Å; F111-I116 HydrophobicContact CZ-CG2 4.2Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-F147 HydrophobicContact CG2-CD1 3.99Å; I116-F147 HydrophobicContact CG2-CE1 3.57Å; I116-P781 HydrophobicContact CG2-CB 3.84Å; I116-P781 HydrophobicContact CG2-CG 3.6Å; I116-N782 HydrophobicContact CD1-CB 3.4Å; I116-N782 VanDerWaalsContact CD1-CB 3.4Å; I116-N782 HydrophobicContact CG1-CB 4.31Å
117	Y	88.3	Confident	83.7	Confident	40 Å²	40	16 Å²	16	16%	0.157	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.5	-179.9	-65.7	-63	0	0	0	112.4	G115 N782 K799 G800 A806 Y815	G115-Y117 PolarHBondContact O-N 2.83Å; Y117-N782 PolarHBondContact OH-O 3.15Å; Y117-K799 WeakPolarHBondContact OH-CB 3.47Å; Y117-G800 WeakPolarHBondContact CE2-O 3.14Å; Y117-A806 HydrophobicContact CD1-CB 4.41Å; Y117-A806 HydrophobicContact CD2-CB 3.49Å; Y117-A806 VanDerWaalsContact CD2-CB 3.49Å; Y117-A806 HydrophobicContact CE2-CB 3.73Å; Y117-A806 HydrophobicContact CG-CB 3.86Å; Y117-Y815 AromaticContact CD1-CD1 3.56Å; Y117-Y815 HydrophobicContact CD1-CD1 3.56Å; Y117-Y815 AromaticContact CD1-CD2 3.57Å; Y117-Y815 HydrophobicContact CD1-CD2 3.57Å; Y117-Y815 AromaticContact CD1-CE1 3.89Å; Y117-Y815 HydrophobicContact CD1-CE1 3.89Å; Y117-Y815 AromaticContact CD1-CE2 3.89Å; Y117-Y815 HydrophobicContact CD1-CE2 3.89Å; Y117-Y815 AromaticContact CD1-CG 3.38Å; Y117-Y815 HydrophobicContact CD1-CG 3.38Å; Y117-Y815 AromaticContact CE1-CD1 3.72Å; Y117-Y815 HydrophobicContact CE1-CD1 3.72Å; Y117-Y815 HydrophobicContact CE1-CD2 4.15Å; Y117-Y815 AromaticContact CE1-CE1 3.59Å; Y117-Y815 HydrophobicContact CE1-CE1 3.59Å; Y117-Y815 HydrophobicContact CE1-CE2 4.03Å; Y117-Y815 AromaticContact CE1-CG 4Å; Y117-Y815 HydrophobicContact CE1-CG 4Å; Y117-Y815 AromaticContact CE1-CZ 3.75Å; Y117-Y815 HydrophobicContact CG-CD1 4.31Å; Y117-Y815 HydrophobicContact CG-CG 4.08Å
118	S	88.9	Confident	82.4	Confident	25 Å²	25	17.9 Å²	17.9	18%	0.175	9%	0.094	C	C	.	.	S	Bend	trans	-73.3	170.5	174.4	-42.2	0	0	0	0	111.3	F111 D112 G113 D114 G115 I116 R120	F111-S118 WeakPolarHBondContact CD1-O 3.4Å; D112-S118 WeakPolarHBondContact O-CB 3.35Å; G113-S118 WeakPolarHBondContact CA-OG 3.24Å; D114-S118 PolarHBondContact N-OG 3.1Å; D114-S118 VanDerWaalsContact N-OG 3.14Å; D114-S118 PolarHBondContact OD1-OG 2.82Å; G115-S118 PolarHBondContact N-OG 2.77Å; G115-S118 WeakPolarHBondContact O-CB 3.21Å; G115-S118 PolarHBondContact O-N 3.1Å; G115-S118 PolarHBondContact O-OG 3Å; I116-S118 VanDerWaalsContact C-N 3.34Å; S118-R120 PolarHBondContact O-N 3.03Å
119	N	89.1	Confident	80.7	Confident	91 Å²	91	17.9 Å²	17.9	49%	0.487	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.2	-179	-78.3	-42.6	0	0	0	110.8	F111 D112	F111-N119 CarbonylContact C-O 3.56Å; F111-N119 WeakPolarHBondContact CA-O 3.04Å; D112-N119 PolarHBondContact N-O 3.36Å
120	R	90.6	Very high	78.8	Confident	38 Å²	38	21.2 Å²	21.2	14%	0.143	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.3	176.3	-162.3	-177.5	-43.9	-177	-0	110.5	F111 S118 V122 F265 G750	F111-R120 HydrophobicContact CD1-CB 3.83Å; F111-R120 HydrophobicContact CD1-CG 3.98Å; F111-R120 HydrophobicContact CE1-CB 3.89Å; F111-R120 HydrophobicContact CE1-CG 3.79Å; F111-R120 HydrophobicContact CZ-CG 4.36Å; S118-R120 PolarHBondContact O-N 3.03Å; R120-V122 WeakPolarHBondContact CG-O 3.44Å; R120-F265 HydrophobicContact CB-CB 4.02Å; R120-F265 HydrophobicContact CB-CD1 4.19Å; R120-F265 HydrophobicContact CB-CD2 4.39Å; R120-F265 HydrophobicContact CB-CG 3.97Å; R120-F265 HydrophobicContact CG-CD1 4.28Å; R120-F265 HydrophobicContact CG-CE1 4.4Å; R120-F265 HydrophobicContact CG-CG 4.36Å; R120-F265 VanDerWaalsContact O-CB 3.23Å; R120-F265 WeakPolarHBondContact O-CB 3.22Å; R120-F265 WeakPolarHBondContact O-CD2 3.34Å; R120-F265 WeakPolarHBondContact O-CG 3.36Å; R120-G750 PolarHBondContact NH1-O 3.04Å
121	V	89.1	Confident	76.8	Confident	35 Å²	35	24.2 Å²	24.2	21%	0.212	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-39	177.3	-176.6	0	0	0	0	110.7	V110 D112 T141 F265	V110-V121 PolarHBondContact O-N 3.32Å; D112-V121 HydrophobicContact CB-CG2 3.62Å; V121-T141 HydrophobicContact CG2-CG2 4.33Å; V121-F265 VanDerWaalsContact O-CE2 3.26Å; V121-F265 WeakPolarHBondContact O-CE2 3.28Å
122	V	87.3	Confident	74.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.3	-175	-170.8	0	0	0	0	110.1	H109 V110 R120 L124 F139 G534 T535	H109-V122 WeakPolarHBondContact CA-O 3.12Å; V110-V122 HydrophobicContact CB-CB 3.88Å; V110-V122 HydrophobicContact CB-CG2 4.01Å; V110-V122 HydrophobicContact CG2-CB 4.04Å; V110-V122 HydrophobicContact CG2-CG2 4.24Å; V110-V122 PolarHBondContact N-O 3.24Å; V110-V122 PolarHBondContact O-N 2.96Å; R120-V122 WeakPolarHBondContact CG-O 3.44Å; V122-L124 HydrophobicContact CG1-CD2 3.62Å; V122-L124 HydrophobicContact CG1-CG 3.75Å; V122-F139 HydrophobicContact CB-CD1 4.4Å; V122-F139 HydrophobicContact CB-CE1 4.44Å; V122-F139 HydrophobicContact CB-CG 4.49Å; V122-F139 HydrophobicContact CG1-CD1 4.38Å; V122-F139 HydrophobicContact CG1-CD2 4.45Å; V122-F139 HydrophobicContact CG1-CE1 3.97Å; V122-F139 HydrophobicContact CG1-CE2 4.06Å; V122-F139 HydrophobicContact CG1-CZ 3.77Å; V122-F139 HydrophobicContact CG2-CB 3.7Å; V122-F139 HydrophobicContact CG2-CD1 3.14Å; V122-F139 HydrophobicContact CG2-CD2 3.73Å; V122-F139 HydrophobicContact CG2-CE1 3.57Å; V122-F139 HydrophobicContact CG2-CE2 4.1Å; V122-F139 HydrophobicContact CG2-CG 3.21Å; V122-F139 HydrophobicContact CG2-CZ 4.02Å; V122-G534 WeakPolarHBondContact CA-O 3.43Å; V122-T535 HydrophobicContact CG1-CG2 4.48Å; V122-T535 HydrophobicContact CG2-CG2 4.09Å
123	S	87	Confident	72.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	88.7	171.9	-172.6	0	0	0	0	108	L108 H109 F532 G534 Y749 G750	L108-S123 CarbonylContact O-C 3.55Å; H109-S123 PolarHBondContact CE1-OG 3.31Å; H109-S123 PolarHBondContact ND1-OG 3.14Å; H109-S123 VanDerWaalsContact ND1-OG 3.11Å; S123-F532 VanDerWaalsContact O-CZ 3.22Å; S123-F532 WeakPolarHBondContact O-CZ 3.47Å; S123-G534 PolarHBondContact N-O 2.9Å; S123-G534 WeakPolarHBondContact O-CA 3.44Å; S123-Y749 WeakPolarHBondContact CB-O 3.44Å; S123-Y749 PolarHBondContact OG-O 2.73Å; S123-G750 WeakPolarHBondContact OG-CA 3.28Å
124	L	80	Confident	70.6	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.5	173.1	-57.6	-166	0	0	0	108.1	I96 F99 S107 L108 V122 A129 A132 A133	I96-L124 HydrophobicContact CD1-CD1 3.43Å; I96-L124 VanDerWaalsContact CD1-CD1 3.43Å; I96-L124 HydrophobicContact CD1-CG 4.35Å; F99-L124 HydrophobicContact CD2-CD1 4.49Å; F99-L124 HydrophobicContact CG-CD1 4.48Å; S107-L124 CarbonylContact C-O 3.44Å; S107-L124 WeakPolarHBondContact CA-O 3.09Å; L108-L124 HydrophobicContact CB-CB 4.23Å; L108-L124 HydrophobicContact CD2-CD1 4.19Å; L108-L124 PolarHBondContact N-O 2.8Å; L108-L124 PolarHBondContact O-N 3.4Å; V122-L124 HydrophobicContact CG1-CD2 3.62Å; V122-L124 HydrophobicContact CG1-CG 3.75Å; L124-A129 HydrophobicContact CB-CB 3.63Å; L124-A129 HydrophobicContact CD1-CB 4.09Å; L124-A129 HydrophobicContact CG-CB 4.39Å; L124-A132 HydrophobicContact CD2-CB 3.94Å; L124-A133 HydrophobicContact CD1-CB 4.05Å
125	V	70.8	Confident	68.9	Low	13 Å²	13	28.1 Å²	28.1	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134	-178.3	-173.9	0	0	0	0	108.7	F128 G750	V125-F128 WeakPolarHBondContact O-CD2 3.45Å; V125-G750 VanDerWaalsContact CG2-CA 3.43Å
126	G	60	Low	67.3	Low	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	63.8	-161.3	174.7	0	0	0	0	0	113.8	N101 C103 D106 F128 A129	N101-G126 VanDerWaalsContact ND2-C 3.33Å; N101-G126 PolarHBondContact ND2-O 2.94Å; N101-G126 PolarHBondContact OD1-O 3.47Å; C103-G126 WeakPolarHBondContact O-CA 3.36Å; D106-G126 PolarHBondContact O-N 2.84Å; G126-F128 PolarHBondContact O-N 3.46Å; G126-F128 VanDerWaalsContact O-N 3.14Å; G126-A129 WeakPolarHBondContact O-CB 3.41Å; G126-A129 PolarHBondContact O-N 2.04Å
127	S	50.4	Low	65.9	Low	18 Å²	18	36.3 Å²	36.3	13%	0.126	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-74.6	0.3	-175.8	63.3	0	0	0	0	114.9	A129 G482 F484	S127-A129 PolarHBondContact O-N 2.84Å; S127-G482 VanDerWaalsContact CB-O 3.27Å; S127-G482 WeakPolarHBondContact CB-O 3.25Å; S127-G482 PolarHBondContact OG-O 2.87Å; S127-F484 WeakPolarHBondContact OG-CD2 3.44Å; S127-F484 PolarHBondContact OG-N 3.25Å
128	F	50.3	Low	65.2	Low	46 Å²	46	37.1 Å²	37.1	20%	0.202	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.5	-21.8	166.4	-66.4	-79.6	0	0	0	112.2	V125 G126 A132 F484 Y515	V125-F128 WeakPolarHBondContact O-CD2 3.45Å; G126-F128 PolarHBondContact O-N 3.46Å; G126-F128 VanDerWaalsContact O-N 3.14Å; F128-A132 WeakPolarHBondContact O-CB 3.4Å; F128-A132 PolarHBondContact O-N 3.28Å; F128-F484 HydrophobicContact CD1-CB 3.59Å; F128-F484 HydrophobicContact CD1-CG 4.11Å; F128-F484 HydrophobicContact CD2-CB 4.4Å; F128-F484 HydrophobicContact CD2-CD2 4.08Å; F128-F484 HydrophobicContact CD2-CG 4.33Å; F128-F484 HydrophobicContact CE1-CB 3.52Å; F128-F484 AromaticContact CE1-CD1 3.75Å; F128-F484 HydrophobicContact CE1-CD1 3.75Å; F128-F484 HydrophobicContact CE1-CD2 4.26Å; F128-F484 HydrophobicContact CE1-CE1 4.49Å; F128-F484 AromaticContact CE1-CG 3.61Å; F128-F484 HydrophobicContact CE1-CG 3.61Å; F128-F484 HydrophobicContact CE2-CB 4.34Å; F128-F484 HydrophobicContact CE2-CD1 4.28Å; F128-F484 AromaticContact CE2-CD2 3.64Å; F128-F484 HydrophobicContact CE2-CD2 3.64Å; F128-F484 HydrophobicContact CE2-CE1 4.48Å; F128-F484 AromaticContact CE2-CE2 3.92Å; F128-F484 HydrophobicContact CE2-CE2 3.92Å; F128-F484 AromaticContact CE2-CG 3.86Å; F128-F484 HydrophobicContact CE2-CG 3.86Å; F128-F484 HydrophobicContact CE2-CZ 4.31Å; F128-F484 HydrophobicContact CG-CB 4.04Å; F128-F484 HydrophobicContact CG-CG 4.44Å; F128-F484 HydrophobicContact CZ-CB 3.92Å; F128-F484 AromaticContact CZ-CD1 3.53Å; F128-F484 HydrophobicContact CZ-CD1 3.53Å; F128-F484 AromaticContact CZ-CD2 3.75Å; F128-F484 HydrophobicContact CZ-CD2 3.75Å; F128-F484 AromaticContact CZ-CE1 3.85Å; F128-F484 HydrophobicContact CZ-CE1 3.85Å; F128-F484 HydrophobicContact CZ-CE2 4.1Å; F128-F484 AromaticContact CZ-CG 3.47Å; F128-F484 HydrophobicContact CZ-CG 3.47Å; F128-F484 VanDerWaalsContact CZ-CG 3.47Å; F128-F484 HydrophobicContact CZ-CZ 4.12Å; F128-Y515 HydrophobicContact CD1-CD1 4.01Å; F128-Y515 AromaticContact CD1-CE1 3.77Å; F128-Y515 HydrophobicContact CD1-CE1 3.77Å; F128-Y515 HydrophobicContact CD2-CE1 4.16Å; F128-Y515 AromaticContact CE1-CD1 3.58Å; F128-Y515 HydrophobicContact CE1-CD1 3.58Å; F128-Y515 AromaticContact CE1-CE1 3.66Å; F128-Y515 HydrophobicContact CE1-CE1 3.66Å; F128-Y515 HydrophobicContact CE2-CE1 4.07Å; F128-Y515 HydrophobicContact CG-CE1 4.02Å; F128-Y515 AromaticContact CZ-CD1 3.93Å; F128-Y515 HydrophobicContact CZ-CD1 3.93Å; F128-Y515 AromaticContact CZ-CE1 3.82Å; F128-Y515 HydrophobicContact CZ-CE1 3.82Å
129	A	47.7	Very low	64.9	Low	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-76.7	-29.9	-161.4	0	0	0	0	0	114.7	F99 L124 G126 S127 A133	F99-A129 HydrophobicContact CD1-CB 3Å; F99-A129 HydrophobicContact CE1-CB 3Å; F99-A129 HydrophobicContact CG-CB 3.98Å; F99-A129 HydrophobicContact CZ-CB 4.08Å; L124-A129 HydrophobicContact CB-CB 3.63Å; L124-A129 HydrophobicContact CD1-CB 4.09Å; L124-A129 HydrophobicContact CG-CB 4.39Å; G126-A129 WeakPolarHBondContact O-CB 3.41Å; G126-A129 PolarHBondContact O-N 2.04Å; S127-A129 PolarHBondContact O-N 2.84Å; A129-A133 WeakPolarHBondContact O-CB 3.02Å; A129-A133 PolarHBondContact O-N 2.93Å
130	K	47	Very low	64.7	Low	70 Å²	70	33.8 Å²	33.8	30%	0.304	16%	0.162	S	C	.	.	H	α-helix	trans	-63.5	-48.6	175.1	-162.8	-178.5	-174.1	177.9	0	111.3	F99 E100 L134	F99-K130 WeakPolarHBondContact O-CA 3.48Å; F99-K130 WeakPolarHBondContact O-CB 3.45Å; F99-K130 WeakPolarHBondContact O-CG 3.03Å; E100-K130 HydrophobicContact CG-CD 4.04Å; E100-K130 WeakPolarHBondContact OE1-CE 3.31Å; E100-K130 IonicContact OE1-NZ 2.77Å; E100-K130 PolarHBondContact OE1-NZ 3.37Å; K130-L134 HydrophobicContact CG-CD1 4.14Å; K130-L134 WeakPolarHBondContact O-CB 3.35Å; K130-L134 WeakPolarHBondContact O-CD1 3.44Å; K130-L134 WeakPolarHBondContact O-CG 3.26Å; K130-L134 PolarHBondContact O-N 2.68Å
131	E	48.4	Very low	64.6	Low	64 Å²	64	32 Å²	32	30%	0.299	16%	0.155	S	C	.	.	H	α-helix	trans	-77.6	-41.6	-179.1	-82.7	175.4	-174.3	0	0	112	A133 L134 Q135 V485	E131-A133 VanDerWaalsContact C-N 3.25Å; E131-A133 PolarHBondContact O-N 3Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 WeakPolarHBondContact O-CA 3.15Å; E131-L134 PolarHBondContact O-N 3.41Å; E131-Q135 WeakPolarHBondContact O-CB 3Å; E131-Q135 WeakPolarHBondContact O-CG 3.49Å; E131-Q135 PolarHBondContact O-N 2.84Å; E131-V485 WeakPolarHBondContact OE1-CG2 3.04Å; E131-V485 WeakPolarHBondContact OE2-CA 3.33Å; E131-V485 WeakPolarHBondContact OE2-CG1 3.38Å
132	A	48.4	Very low	64.6	Low	1 Å²	1	34.5 Å²	34.5	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-40.8	172	0	0	0	0	0	111.9	L124 F128 Q135 K136	L124-A132 HydrophobicContact CD2-CB 3.94Å; F128-A132 WeakPolarHBondContact O-CB 3.4Å; F128-A132 PolarHBondContact O-N 3.28Å; A132-Q135 PolarHBondContact O-N 2.9Å; A132-K136 PolarHBondContact O-N 2.62Å
133	A	47	Very low	64.7	Low	2 Å²	2	36.9 Å²	36.9	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-44.3	170.4	0	0	0	0	0	112.3	I96 F99 L124 A129 E131 Q135 K136 K137	I96-A133 HydrophobicContact CB-CB 3.78Å; I96-A133 HydrophobicContact CD1-CB 4.42Å; I96-A133 HydrophobicContact CG2-CB 3.51Å; F99-A133 HydrophobicContact CB-CB 4.26Å; L124-A133 HydrophobicContact CD1-CB 4.05Å; A129-A133 WeakPolarHBondContact O-CB 3.02Å; A129-A133 PolarHBondContact O-N 2.93Å; E131-A133 VanDerWaalsContact C-N 3.25Å; E131-A133 PolarHBondContact O-N 3Å; A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 2.96Å; A133-K136 CarbonylContact O-C 3.55Å; A133-K136 VanDerWaalsContact O-C 3.32Å; A133-K137 WeakPolarHBondContact O-CA 3.32Å; A133-K137 PolarHBondContact O-N 3.39Å; A133-K137 VanDerWaalsContact O-N 3.14Å
134	L	47.3	Very low	64.6	Low	82 Å²	82	36.9 Å²	36.9	43%	0.429	19%	0.188	S	C	.	.	H	α-helix	trans	-66.9	-26.2	175.7	-71.6	165.9	0	0	0	113.3	K130 E131 K137	K130-L134 HydrophobicContact CG-CD1 4.14Å; K130-L134 WeakPolarHBondContact O-CB 3.35Å; K130-L134 WeakPolarHBondContact O-CD1 3.44Å; K130-L134 WeakPolarHBondContact O-CG 3.26Å; K130-L134 PolarHBondContact O-N 2.68Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 WeakPolarHBondContact O-CA 3.15Å; E131-L134 PolarHBondContact O-N 3.41Å; L134-K137 WeakPolarHBondContact O-CG 3.4Å
135	Q	53.1	Low	65	Low	40 Å²	40	37.5 Å²	37.5	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-82.4	-47.8	-175.7	-74.7	168.8	10.9	0	0	112.3	E131 A132 A133 T510 S513 S533	E131-Q135 WeakPolarHBondContact O-CB 3Å; E131-Q135 WeakPolarHBondContact O-CG 3.49Å; E131-Q135 PolarHBondContact O-N 2.84Å; A132-Q135 PolarHBondContact O-N 2.9Å; A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 2.96Å; Q135-T510 HydrophobicContact CB-CG2 4.42Å; Q135-T510 HydrophobicContact CG-CG2 3.98Å; Q135-T510 PolarHBondContact OE1-O 3.1Å; Q135-S513 PolarHBondContact NE2-OG 2.88Å; Q135-S533 PolarHBondContact OE1-OG 3.3Å; Q135-S533 VanDerWaalsContact OE1-OG 3.04Å
136	K	55.1	Low	65.9	Low	89 Å²	89	36.9 Å²	36.9	39%	0.387	19%	0.187	S	C	.	.	S	Bend	trans	-112.3	73.7	167.2	-74.7	-173.5	-178.7	178.2	0	107.7	A132 A133 E138 F139 T535	A132-K136 PolarHBondContact O-N 2.62Å; A133-K136 CarbonylContact O-C 3.55Å; A133-K136 VanDerWaalsContact O-C 3.32Å; K136-E138 PolarHBondContact O-N 3.2Å; K136-F139 HydrophobicContact CB-CD1 4.41Å; K136-F139 HydrophobicContact CB-CE1 3.67Å; K136-F139 HydrophobicContact CB-CZ 3.97Å; K136-F139 HydrophobicContact CD-CE1 4.22Å; K136-F139 WeakPolarHBondContact O-CE2 3.49Å; K136-F139 VanDerWaalsContact O-CZ 3.25Å; K136-F139 WeakPolarHBondContact O-CZ 3.38Å; K136-T535 HydrophobicContact CD-CG2 4.29Å; K136-T535 WeakPolarHBondContact CD-OG1 3.25Å; K136-T535 WeakPolarHBondContact CE-OG1 3.39Å; K136-T535 PolarHBondContact NZ-OG1 3.36Å
137	K	58	Low	67.3	Low	105 Å²	105	36.8 Å²	36.8	46%	0.457	19%	0.186	S	C	.	.			trans	-45.7	-33.3	179.1	-71.2	-175.9	178.8	176	0	112.4	R95 I96 A133 L134	R95-K137 CarbonylContact C-O 3.41Å; R95-K137 WeakPolarHBondContact CA-O 3.3Å; R95-K137 VanDerWaalsContact CG-O 3.23Å; R95-K137 WeakPolarHBondContact CG-O 3.46Å; I96-K137 PolarHBondContact N-O 3.04Å; A133-K137 WeakPolarHBondContact O-CA 3.32Å; A133-K137 PolarHBondContact O-N 3.39Å; A133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 WeakPolarHBondContact O-CG 3.4Å
138	E	73.4	Confident	69.1	Low	58 Å²	58	36 Å²	36	27%	0.271	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.8	-172.5	-169.5	167.9	-126.2	0	0	111.5	H93 I94 K136 R166 N172	H93-E138 HydrophobicContact CB-CG 3.88Å; H93-E138 WeakPolarHBondContact CB-OE1 3.32Å; H93-E138 IonicContact CG-OE1 2.75Å; H93-E138 IonicContact ND1-OE1 3.93Å; H93-E138 IonicContact ND1-OE2 3.55Å; I94-E138 CarbonylContact O-C 3.58Å; I94-E138 WeakPolarHBondContact O-CA 3.32Å; K136-E138 PolarHBondContact O-N 3.2Å; E138-R166 IonicContact OE1-CZ 3.77Å; E138-R166 IonicContact OE1-NE 3.35Å; E138-R166 IonicContact OE1-NH1 3.98Å; E138-R166 PolarHBondContact OE1-NH1 3.48Å; E138-R166 VanDerWaalsContact OE1-NH1 3.15Å; E138-R166 IonicContact OE1-NH2 2.79Å; E138-R166 PolarHBondContact OE1-NH2 2.85Å; E138-R166 IonicContact OE2-CZ 3.32Å; E138-R166 IonicContact OE2-NH1 3.65Å; E138-R166 IonicContact OE2-NH2 2.75Å; E138-R166 PolarHBondContact OE2-NH2 3.03Å; E138-N172 PolarHBondContact OE2-OD1 3.41Å
139	F	82.1	Confident	70.8	Confident	8 Å²	8	34 Å²	34	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.2	174.5	-56.4	-76	0	0	0	109.4	H93 I94 I96 V122 K136 T535	H93-F139 CarbonylContact C-O 3.51Å; H93-F139 VanDerWaalsContact CA-O 3.32Å; H93-F139 WeakPolarHBondContact CA-O 3.48Å; I94-F139 PolarHBondContact N-O 3.3Å; I94-F139 PolarHBondContact O-N 2.81Å; I96-F139 HydrophobicContact CD1-CD2 4.16Å; I96-F139 HydrophobicContact CD1-CE2 3.6Å; I96-F139 HydrophobicContact CG1-CD2 4.36Å; I96-F139 HydrophobicContact CG1-CE2 4.07Å; V122-F139 HydrophobicContact CB-CD1 4.4Å; V122-F139 HydrophobicContact CB-CE1 4.44Å; V122-F139 HydrophobicContact CB-CG 4.49Å; V122-F139 HydrophobicContact CG1-CD1 4.38Å; V122-F139 HydrophobicContact CG1-CD2 4.45Å; V122-F139 HydrophobicContact CG1-CE1 3.97Å; V122-F139 HydrophobicContact CG1-CE2 4.06Å; V122-F139 HydrophobicContact CG1-CZ 3.77Å; V122-F139 HydrophobicContact CG2-CB 3.7Å; V122-F139 HydrophobicContact CG2-CD1 3.14Å; V122-F139 HydrophobicContact CG2-CD2 3.73Å; V122-F139 HydrophobicContact CG2-CE1 3.57Å; V122-F139 HydrophobicContact CG2-CE2 4.1Å; V122-F139 HydrophobicContact CG2-CG 3.21Å; V122-F139 HydrophobicContact CG2-CZ 4.02Å; K136-F139 HydrophobicContact CB-CD1 4.41Å; K136-F139 HydrophobicContact CB-CE1 3.67Å; K136-F139 HydrophobicContact CB-CZ 3.97Å; K136-F139 HydrophobicContact CD-CE1 4.22Å; K136-F139 WeakPolarHBondContact O-CE2 3.49Å; K136-F139 VanDerWaalsContact O-CZ 3.25Å; K136-F139 WeakPolarHBondContact O-CZ 3.38Å; F139-T535 HydrophobicContact CD1-CG2 3.79Å; F139-T535 HydrophobicContact CE1-CG2 3.4Å; F139-T535 VanDerWaalsContact CE1-CG2 3.4Å; F139-T535 HydrophobicContact CZ-CG2 4.49Å
140	V	85.3	Confident	72.4	Confident	37 Å²	37	34.1 Å²	34.1	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.3	-174.8	-168.4	0	0	0	0	109.8	Y91 L92 H93 L171	Y91-V140 HydrophobicContact CD1-CG1 3.83Å; Y91-V140 HydrophobicContact CG-CG1 4.39Å; L92-V140 CarbonylContact O-C 3.57Å; L92-V140 WeakPolarHBondContact O-CA 3.42Å; H93-V140 VanDerWaalsContact CE1-CG2 3.43Å; H93-V140 WeakPolarHBondContact CE1-CG2 3.23Å; H93-V140 WeakPolarHBondContact ND1-CG2 3.35Å; V140-L171 HydrophobicContact CB-CD1 4.19Å; V140-L171 HydrophobicContact CG1-CD1 3.72Å; V140-L171 HydrophobicContact CG2-CD1 4.05Å
141	T	89.7	Confident	73.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.9	168.2	82.4	0	0	0	0	109.6	Y91 L92 I94 V110 D112 V121 Q145 A146	Y91-T141 WeakPolarHBondContact CA-O 3.34Å; L92-T141 WeakPolarHBondContact CB-OG1 3.3Å; L92-T141 PolarHBondContact N-O 3.02Å; L92-T141 VanDerWaalsContact N-O 3.14Å; L92-T141 PolarHBondContact O-N 3.34Å; I94-T141 HydrophobicContact CD1-CG2 4.28Å; V110-T141 HydrophobicContact CG1-CG2 4.24Å; D112-T141 HydrophobicContact CB-CG2 4.32Å; D112-T141 VanDerWaalsContact OD1-CB 3.25Å; D112-T141 WeakPolarHBondContact OD1-CB 3.4Å; V121-T141 HydrophobicContact CG2-CG2 4.33Å; T141-Q145 WeakPolarHBondContact CB-O 3.49Å; T141-Q145 PolarHBondContact OG1-O 3.21Å; T141-A146 HydrophobicContact CG2-CB 3.7Å
142	T	88.9	Confident	74.7	Confident	89 Å²	89	28.3 Å²	28.3	55%	0.546	15%	0.146	S	C	.	.	S	Bend	trans	-116.3	-5.1	-169.8	60.7	0	0	0	0	113.8	T90 Y91 D112 G144	T90-T142 CarbonylContact O-C 3.57Å; T90-T142 VanDerWaalsContact O-C 3.29Å; Y91-T142 HydrophobicContact CD1-CG2 4.16Å; Y91-T142 HydrophobicContact CE1-CG2 3.93Å; D112-T142 VanDerWaalsContact CG-N 3.27Å; D112-T142 PolarHBondContact OD1-N 2.82Å; D112-T142 VanDerWaalsContact OD1-N 3.08Å; D112-T142 PolarHBondContact OD2-N 2.78Å; D112-T142 PolarHBondContact OD2-OG1 3.49Å; T142-G144 VanDerWaalsContact C-N 3.35Å
143	S	88.1	Confident	75.2	Confident	49 Å²	49	28.9 Å²	28.9	34%	0.343	15%	0.152	S	C	.	.	S	Bend	trans	-85.4	-4.3	176.6	65.5	0	0	0	0	114	D112 G113 Q145	D112-S143 WeakPolarHBondContact OD1-CB 3.05Å; D112-S143 PolarHBondContact OD1-N 3.31Å; D112-S143 PolarHBondContact OD1-OG 3.01Å; G113-S143 PolarHBondContact N-OG 3.19Å; S143-Q145 PolarHBondContact O-N 3.14Å; S143-Q145 PolarHBondContact OG-N 2.93Å; S143-Q145 PolarHBondContact OG-O 2.69Å; S143-Q145 VanDerWaalsContact OG-O 3.08Å
144	G	85.8	Confident	75.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	70.6	4.5	-167	0	0	0	0	0	113.9	G84 R85 F89 T90 T142	G84-G144 WeakPolarHBondContact CA-O 3.49Å; G84-G144 PolarHBondContact N-O 3.03Å; R85-G144 PolarHBondContact N-O 2.93Å; F89-G144 VanDerWaalsContact O-CA 3.31Å; F89-G144 WeakPolarHBondContact O-CA 3.44Å; T90-G144 PolarHBondContact O-N 2.87Å; T142-G144 VanDerWaalsContact C-N 3.35Å
145	Q	87.7	Confident	75.5	Confident	15 Å²	15	33.2 Å²	33.2	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.3	176.3	-61.2	-172.7	-44.6	0	0	110.1	L82 N83 R85 G113 T141 S143	L82-Q145 CarbonylContact O-C 3.57Å; L82-Q145 VanDerWaalsContact O-CA 3.3Å; L82-Q145 WeakPolarHBondContact O-CA 3.28Å; N83-Q145 VanDerWaalsContact CG-NE2 3.28Å; N83-Q145 PolarHBondContact ND2-NE2 2.99Å; N83-Q145 PolarHBondContact OD1-NE2 2.71Å; R85-Q145 HydrophobicContact CB-CG 4.31Å; G113-Q145 PolarHBondContact N-O 3.22Å; T141-Q145 WeakPolarHBondContact CB-O 3.49Å; T141-Q145 PolarHBondContact OG1-O 3.21Å; S143-Q145 PolarHBondContact O-N 3.14Å; S143-Q145 PolarHBondContact OG-N 2.93Å; S143-Q145 PolarHBondContact OG-O 2.69Å; S143-Q145 VanDerWaalsContact OG-O 3.08Å
146	A	90	Very high	75.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.3	170.5	0	0	0	0	0	111.6	L82 L92 I94 F111 G113 T141	L82-A146 HydrophobicContact CB-CB 4.31Å; L82-A146 HydrophobicContact CD1-CB 4.46Å; L82-A146 PolarHBondContact N-O 3.35Å; L82-A146 PolarHBondContact O-N 3.05Å; L92-A146 HydrophobicContact CD1-CB 4.17Å; L92-A146 HydrophobicContact CD2-CB 3.98Å; I94-A146 HydrophobicContact CD1-CB 3.53Å; F111-A146 CarbonylContact O-C 3.59Å; F111-A146 VanDerWaalsContact O-CA 3.25Å; F111-A146 WeakPolarHBondContact O-CA 3.26Å; G113-A146 CarbonylContact O-C 3.5Å; G113-A146 WeakPolarHBondContact O-CA 3.17Å; G113-A146 PolarHBondContact O-N 3.16Å; T141-A146 HydrophobicContact CG2-CB 3.7Å
147	F	89.5	Confident	75.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.5	169.8	-175.2	-111.5	0	0	0	109.3	R62 W80 L81 V110 F111 G113 I116 Y149 P781	R62-F147 HydrophobicContact CG-CE2 3.84Å; R62-F147 HydrophobicContact CG-CZ 4.4Å; W80-F147 WeakPolarHBondContact O-CA 3.41Å; W80-F147 WeakPolarHBondContact O-CD2 3.38Å; L81-F147 HydrophobicContact CB-CD2 4.43Å; L81-F147 HydrophobicContact CD1-CD2 4.4Å; V110-F147 WeakPolarHBondContact CA-O 3.47Å; F111-F147 HydrophobicContact CB-CB 4.28Å; F111-F147 AromaticContact CD2-CD1 3.85Å; F111-F147 HydrophobicContact CD2-CD1 3.85Å; F111-F147 WeakPolarHBondContact CD2-O 3.46Å; F111-F147 HydrophobicContact CE2-CD1 4.33Å; F111-F147 PolarHBondContact N-O 3.3Å; F111-F147 PolarHBondContact O-N 2.97Å; G113-F147 PolarHBondContact O-N 2.98Å; G113-F147 VanDerWaalsContact O-N 3.16Å; I116-F147 HydrophobicContact CG2-CD1 3.99Å; I116-F147 HydrophobicContact CG2-CE1 3.57Å; F147-Y149 HydrophobicContact CE1-CD2 4.33Å; F147-Y149 HydrophobicContact CE1-CG 4.34Å; F147-Y149 HydrophobicContact CZ-CD2 4.35Å; F147-P781 HydrophobicContact CE1-CB 3.78Å; F147-P781 HydrophobicContact CZ-CB 3.66Å
148	V	88.1	Confident	74.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.6	178.5	-175.9	0	0	0	0	108	G79 W80 L82 I94 L108 H109 V110	G79-V148 CarbonylContact C-O 3.59Å; G79-V148 WeakPolarHBondContact CA-O 3.33Å; W80-V148 HydrophobicContact CB-CB 4.32Å; W80-V148 HydrophobicContact CE3-CB 3.99Å; W80-V148 HydrophobicContact CE3-CG1 3.78Å; W80-V148 HydrophobicContact CZ3-CG1 4.2Å; W80-V148 PolarHBondContact N-O 2.91Å; W80-V148 PolarHBondContact O-N 2.85Å; L82-V148 HydrophobicContact CD1-CG2 4.5Å; I94-V148 HydrophobicContact CD1-CG2 3.72Å; L108-V148 HydrophobicContact CD1-CG1 3.67Å; L108-V148 HydrophobicContact CG-CG1 4.43Å; H109-V148 CarbonylContact O-C 3.28Å; H109-V148 WeakPolarHBondContact O-CA 3.27Å; V110-V148 HydrophobicContact CG1-CG2 4.5Å; V110-V148 HydrophobicContact CG2-CG1 4.39Å; V110-V148 HydrophobicContact CG2-CG2 4.31Å
149	Y	85.7	Confident	74.2	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.3	-177.4	-179	-105.8	0	0	0	111	F78 L108 H109 F147 H151 I753 P781	F78-Y149 CarbonylContact O-C 3.6Å; F78-Y149 WeakPolarHBondContact O-CA 3.33Å; F78-Y149 VanDerWaalsContact O-CD2 3.26Å; F78-Y149 WeakPolarHBondContact O-CD2 3.28Å; L108-Y149 CarbonylContact C-O 3.38Å; L108-Y149 WeakPolarHBondContact CA-O 3.43Å; H109-Y149 PolarHBondContact N-O 3.45Å; H109-Y149 PolarHBondContact O-N 2.84Å; F147-Y149 HydrophobicContact CE1-CD2 4.33Å; F147-Y149 HydrophobicContact CE1-CG 4.34Å; F147-Y149 HydrophobicContact CZ-CD2 4.35Å; Y149-H151 HydrophobicContact CE1-CB 3.99Å; Y149-I753 HydrophobicContact CD1-CG2 3.59Å; Y149-I753 HydrophobicContact CE1-CG2 3.31Å; Y149-P781 HydrophobicContact CD2-CB 3.96Å; Y149-P781 HydrophobicContact CD2-CG 3.7Å; Y149-P781 HydrophobicContact CE1-CG 4.3Å; Y149-P781 HydrophobicContact CE2-CB 3.99Å; Y149-P781 HydrophobicContact CE2-CG 3.44Å; Y149-P781 VanDerWaalsContact CE2-CG 3.44Å; Y149-P781 HydrophobicContact CG-CG 4.23Å
150	L	81.1	Confident	73.3	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.6	174	177.9	70.6	0	0	0	109.4	Y72 R77 F78 W80 F99 S107 L108 L161	Y72-L150 HydrophobicContact CE1-CD2 4.5Å; R77-L150 WeakPolarHBondContact CA-O 3.3Å; F78-L150 HydrophobicContact CB-CB 4.35Å; F78-L150 HydrophobicContact CD2-CD2 4.24Å; F78-L150 PolarHBondContact N-O 3.03Å; F78-L150 PolarHBondContact O-N 3.03Å; W80-L150 HydrophobicContact CH2-CB 4.27Å; W80-L150 HydrophobicContact CH2-CD2 4.47Å; W80-L150 HydrophobicContact CZ3-CB 4Å; F99-L150 HydrophobicContact CE2-CD1 3.98Å; F99-L150 HydrophobicContact CZ-CD1 4.19Å; S107-L150 CarbonylContact O-C 3.52Å; S107-L150 WeakPolarHBondContact O-CA 3.39Å; L108-L150 HydrophobicContact CB-CD1 4.22Å; L108-L150 HydrophobicContact CD1-CB 3.92Å; L108-L150 HydrophobicContact CD1-CD1 4.17Å; L150-L161 HydrophobicContact CB-CD2 4.49Å; L150-L161 HydrophobicContact CD1-CD2 4.49Å; L150-L161 HydrophobicContact CD2-CD2 3.9Å
151	H	76	Confident	72.6	Confident	11 Å²	11	28.4 Å²	28.4	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.8	165.5	-172.3	74.4	0	0	0	108.6	D106 S107 Y149	D106-H151 CarbonylContact C-O 3.54Å; D106-H151 VanDerWaalsContact CA-O 3.23Å; D106-H151 WeakPolarHBondContact CA-O 3.45Å; S107-H151 PolarHBondContact N-O 3.23Å; S107-H151 PolarHBondContact O-N 2.96Å; Y149-H151 HydrophobicContact CE1-CB 3.99Å
152	S	67.9	Low	71.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.3	175.2	176.5	0	0	0	0	111	Y72 K75 L76 D106	Y72-S152 WeakPolarHBondContact CE2-OG 2.94Å; K75-S152 WeakPolarHBondContact CA-O 3.15Å; K75-S152 WeakPolarHBondContact CG-O 3.14Å; L76-S152 PolarHBondContact N-O 3.12Å; L76-S152 VanDerWaalsContact N-O 3.13Å; L76-S152 PolarHBondContact O-N 3.39Å; D106-S152 WeakPolarHBondContact OD1-CA 3.3Å; D106-S152 PolarHBondContact OD1-OG 3.19Å; D106-S152 PolarHBondContact OD2-OG 3.3Å
153	G	60.7	Low	71.1	Confident	13 Å²	13	26.5 Å²	26.5	13%	0.134	17%	0.17	C	C	.	.			trans	-95.8	171.8	170.5	0	0	0	0	0	112.2	D106	D106-G153 PolarHBondContact OD1-N 2.82Å
154	L	49.2	Very low	70.7	Confident	119 Å²	119	25.3 Å²	25.3	62%	0.623	16%	0.161	S	C	*	.	S	Bend	trans	-87.6	128.6	-179.2	-70.9	160	0	0	0	111.7	K75	K75-L154 HydrophobicContact CB-CD1 4.38Å; K75-L154 HydrophobicContact CB-CG 4.1Å
155	A	50.3	Low	70.6	Confident	57 Å²	57	29.3 Å²	29.3	47%	0.471	18%	0.177	S	C	.	.	S	Bend	trans	-167.5	-25.3	143.3	0	0	0	0	0	116.8	E102 C103	E102-A155 PolarHBondContact OE2-N 3.12Å; C103-A155 WeakPolarHBondContact SG-CB 3.46Å
156	C	48.9	Very low	70.3	Confident	22 Å²	22	33.2 Å²	33.2	15%	0.149	19%	0.191	C	C	.	.			trans	-151.1	106.4	-161.6	-90.4	0	0	0	0	112.7	E102 M158 C481	E102-C156 HydrophobicContact CB-CB 4.07Å; E102-C156 WeakPolarHBondContact CB-O 3.17Å; E102-C156 WeakPolarHBondContact CG-O 3.5Å; E102-C156 VanDerWaalsContact OE1-C 3.26Å; E102-C156 PolarHBondContact OE2-N 3.48Å; C156-M158 PolarHBondContact O-N 2.81Å; C156-C481 HydrophobicContact CB-CB 4.24Å; C156-C481 WeakPolarHBondContact CB-SG 3.34Å; C156-C481 WeakPolarHBondContact SG-CB 3.02Å; C156-C481 CovalentContact SG-SG 2.07Å; C156-C481 PolarHBondContact SG-SG 2.83Å
157	S	50.3	Low	70	Confident	104 Å²	104	35.2 Å²	35.2	73%	0.727	20%	0.202	S	C	*	.			trans	-58.1	123.5	175.5	-178	0	0	0	0	113.1
158	M	54.8	Low	69.8	Low	53 Å²	53	36.2 Å²	36.2	26%	0.261	21%	0.207	S	C	.	.			trans	-139.7	175.7	179	-69	-146	-67.6	0	0	113.3	E100 N101 C156 G160	E100-M158 VanDerWaalsContact C-CE 3.43Å; E100-M158 HydrophobicContact CB-CB 3.88Å; E100-M158 HydrophobicContact CB-CE 3.99Å; E100-M158 HydrophobicContact CB-SD 4.24Å; N101-M158 VanDerWaalsContact N-CE 3.27Å; N101-M158 WeakPolarHBondContact O-CE 3.33Å; C156-M158 PolarHBondContact O-N 2.81Å; M158-G160 PolarHBondContact O-N 2.84Å
159	A	58.5	Low	69.7	Low	41 Å²	41	38 Å²	38	34%	0.339	22%	0.215	S	C	.	.			trans	-71.5	11.5	-170.8	0	0	0	0	0	116.5	N71 N98 E100	N71-A159 WeakPolarHBondContact OD1-CA 3.33Å; N71-A159 PolarHBondContact OD1-O 3.23Å; N98-A159 PolarHBondContact ND2-O 3.4Å; E100-A159 HydrophobicContact CB-CB 4.5Å; E100-A159 HydrophobicContact CG-CB 4.34Å; E100-A159 WeakPolarHBondContact OE2-CB 3.42Å; E100-A159 PolarHBondContact OE2-N 3Å
160	G	62.5	Low	69.6	Low	1 Å²	1	37.8 Å²	37.8	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-156.8	169.6	0	0	0	0	0	116.8	Y70 E100 M158	Y70-G160 WeakPolarHBondContact O-CA 3.32Å; E100-G160 PolarHBondContact N-O 3.46Å; M158-G160 PolarHBondContact O-N 2.84Å
161	L	71.1	Confident	69.6	Low	14 Å²	14	39.4 Å²	39.4	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.9	-173.3	175	67.8	0	0	0	110.2	W80 F99 L108 L150 V163	W80-L161 HydrophobicContact CH2-CD2 3.63Å; W80-L161 HydrophobicContact CZ3-CD2 3.82Å; F99-L161 HydrophobicContact CD2-CD1 3.33Å; F99-L161 HydrophobicContact CE2-CD1 3.78Å; F99-L161 HydrophobicContact CG-CD1 4.44Å; L108-L161 HydrophobicContact CD1-CD2 4.08Å; L108-L161 HydrophobicContact CD2-CD1 4.16Å; L150-L161 HydrophobicContact CB-CD2 4.49Å; L150-L161 HydrophobicContact CD1-CD2 4.49Å; L150-L161 HydrophobicContact CD2-CD2 3.9Å; L161-V163 HydrophobicContact CD1-CG2 3.51Å; L161-V163 HydrophobicContact CD2-CG2 4Å; L161-V163 HydrophobicContact CG-CG2 3.74Å
162	N	72	Confident	69.8	Low	29 Å²	29	40.4 Å²	40.4	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.1	167.7	-178	1.5	0	0	0	109.6	Q69 E97 N98	Q69-N162 HydrophobicContact CG-CB 4.48Å; E97-N162 HydrophobicContact CB-CB 4.12Å; E97-N162 PolarHBondContact N-O 2.79Å; E97-N162 PolarHBondContact OE2-ND2 2.83Å; N98-N162 HydrophobicContact CB-CB 4.03Å; N98-N162 PolarHBondContact N-O 3.11Å; N98-N162 PolarHBondContact O-N 2.82Å
163	V	76.1	Confident	70.5	Confident	21 Å²	21	43.3 Å²	43.3	13%	0.127	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.9	179.1	-178	0	0	0	0	108.6	I94 R95 I96 L161	I94-V163 HydrophobicContact CG2-CG1 3.51Å; R95-V163 CarbonylContact O-C 3.15Å; R95-V163 VanDerWaalsContact O-CA 3.32Å; R95-V163 WeakPolarHBondContact O-CA 3.46Å; I96-V163 HydrophobicContact CG1-CG2 4.41Å; L161-V163 HydrophobicContact CD1-CG2 3.51Å; L161-V163 HydrophobicContact CD2-CG2 4Å; L161-V163 HydrophobicContact CG-CG2 3.74Å
164	S	79.9	Confident	71.6	Confident	23 Å²	23	42.7 Å²	42.7	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	154.3	168.1	49.7	0	0	0	0	110.2	R95 E97	R95-S164 WeakPolarHBondContact CB-OG 3.25Å; R95-S164 PolarHBondContact N-O 2.88Å; R95-S164 PolarHBondContact O-N 2.83Å; E97-S164 WeakPolarHBondContact OE1-CB 3.09Å; E97-S164 PolarHBondContact OE1-OG 3.17Å
165	Y	81.9	Confident	73.2	Confident	84 Å²	84	40.2 Å²	40.2	33%	0.329	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.8	172.7	71.4	-85.1	0	0	0	111.2	L65 L82 H93	L65-Y165 HydrophobicContact CB-CE1 3.87Å; L65-Y165 HydrophobicContact CD1-CD1 4.34Å; L65-Y165 HydrophobicContact CD1-CE1 4.5Å; L82-Y165 HydrophobicContact CD1-CD1 4.09Å; L82-Y165 HydrophobicContact CD1-CD2 4.25Å; L82-Y165 HydrophobicContact CD1-CG 3.81Å; L82-Y165 HydrophobicContact CD2-CD1 3.9Å; L82-Y165 HydrophobicContact CD2-CD2 4.33Å; L82-Y165 HydrophobicContact CD2-CE1 3.78Å; L82-Y165 HydrophobicContact CD2-CE2 4.22Å; L82-Y165 HydrophobicContact CD2-CG 4.19Å; H93-Y165 CarbonylContact O-C 3.59Å; H93-Y165 WeakPolarHBondContact O-CA 2.98Å; H93-Y165 WeakPolarHBondContact O-CB 3.46Å
166	R	82.9	Confident	74.7	Confident	97 Å²	97	40.3 Å²	40.3	37%	0.366	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.6	168.8	69.2	172.1	-166.8	-125.4	-17.3	110.5	H93 E138 D168 N172	H93-R166 HydrophobicContact CB-CG 3.51Å; H93-R166 PolarHBondContact N-O 3.27Å; H93-R166 PolarHBondContact ND1-NH2 3Å; H93-R166 VanDerWaalsContact ND1-NH2 3.13Å; H93-R166 PolarHBondContact O-N 2Å; E138-R166 IonicContact OE1-CZ 3.77Å; E138-R166 IonicContact OE1-NE 3.35Å; E138-R166 IonicContact OE1-NH1 3.98Å; E138-R166 PolarHBondContact OE1-NH1 3.48Å; E138-R166 VanDerWaalsContact OE1-NH1 3.15Å; E138-R166 IonicContact OE1-NH2 2.79Å; E138-R166 PolarHBondContact OE1-NH2 2.85Å; E138-R166 IonicContact OE2-CZ 3.32Å; E138-R166 IonicContact OE2-NH1 3.65Å; E138-R166 IonicContact OE2-NH2 2.75Å; E138-R166 PolarHBondContact OE2-NH2 3.03Å; R166-D168 WeakPolarHBondContact CD-OD2 3.49Å; R166-D168 IonicContact CZ-OD2 2.83Å; R166-D168 IonicContact NE-OD2 2.9Å; R166-D168 PolarHBondContact NE-OD2 2.82Å; R166-D168 IonicContact NH2-OD2 2.75Å; R166-N172 PolarHBondContact NH2-OD1 3.29Å; R166-N172 VanDerWaalsContact NH2-OD1 3.13Å
167	L	83.1	Confident	76.5	Confident	42 Å²	42	40.3 Å²	40.3	22%	0.22	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.3	177.3	-63.4	172.8	0	0	0	108.8	F89 L92	F89-L167 HydrophobicContact CB-CB 4.2Å; F89-L167 HydrophobicContact CB-CD2 4.47Å; F89-L167 HydrophobicContact CD1-CB 3.66Å; F89-L167 HydrophobicContact CD2-CB 3.7Å; F89-L167 HydrophobicContact CD2-CD1 3.75Å; F89-L167 HydrophobicContact CD2-CG 4.23Å; F89-L167 HydrophobicContact CE1-CB 3.79Å; F89-L167 WeakPolarHBondContact CE1-O 3.4Å; F89-L167 HydrophobicContact CE2-CB 3.86Å; F89-L167 HydrophobicContact CE2-CD1 3.87Å; F89-L167 HydrophobicContact CG-CB 3.6Å; F89-L167 HydrophobicContact CG-CD1 4.43Å; F89-L167 HydrophobicContact CG-CG 4.43Å; F89-L167 HydrophobicContact CZ-CB 3.91Å; L92-L167 HydrophobicContact CB-CD2 4.27Å; L92-L167 HydrophobicContact CD1-CD2 3.54Å; L92-L167 HydrophobicContact CG-CD2 3.73Å
168	D	85.3	Confident	78.3	Confident	21 Å²	21	36 Å²	36	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.3	-178.1	-84.8	-52.6	0	0	0	111.2	T90 Y91 H93 R166 C170 S173	T90-D168 PolarHBondContact N-O 2.83Å; Y91-D168 PolarHBondContact N-O 2.8Å; Y91-D168 PolarHBondContact O-N 2.57Å; Y91-D168 VanDerWaalsContact O-O 3.11Å; H93-D168 IonicContact CD2-OD2 2.64Å; H93-D168 PolarHBondContact CD2-OD2 2.89Å; H93-D168 IonicContact CG-OD2 3.86Å; H93-D168 IonicContact NE2-OD2 2.9Å; H93-D168 PolarHBondContact NE2-OD2 3.05Å; R166-D168 WeakPolarHBondContact CD-OD2 3.49Å; R166-D168 IonicContact CZ-OD2 2.83Å; R166-D168 IonicContact NE-OD2 2.9Å; R166-D168 PolarHBondContact NE-OD2 2.82Å; R166-D168 IonicContact NH2-OD2 2.75Å; D168-C170 WeakPolarHBondContact CB-O 3.43Å; D168-S173 PolarHBondContact OD1-OG 2.8Å
169	H	85.6	Confident	80	Confident	38 Å²	38	39.1 Å²	39.1	18%	0.176	22%	0.223	C	C	.	.	S	Bend	trans	-84.2	-32.9	173.5	-69.5	75.3	0	0	0	111.7	F89 Y91 M182 G185	F89-H169 AromaticContact CD1-CE1 3.45Å; F89-H169 VanDerWaalsContact CD1-CE1 3.45Å; F89-H169 WeakPolarHBondContact CD1-CE1 3.33Å; F89-H169 AromaticContact CD1-ND1 3.38Å; F89-H169 WeakPolarHBondContact CD1-ND1 3.22Å; F89-H169 AromaticContact CE1-CE1 3.23Å; F89-H169 WeakPolarHBondContact CE1-CE1 3.4Å; F89-H169 AromaticContact CE1-ND1 3.31Å; F89-H169 VanDerWaalsContact CE1-ND1 3.31Å; F89-H169 WeakPolarHBondContact CE1-ND1 3.22Å; F89-H169 AromaticContact CZ-CE1 3.87Å; Y91-H169 WeakPolarHBondContact CD2-O 3.37Å; Y91-H169 WeakPolarHBondContact CE2-O 3.46Å; H169-M182 HydrophobicContact CB-CE 3.88Å; H169-M182 HydrophobicContact CB-SD 3.53Å; H169-M182 VanDerWaalsContact CB-SD 3.53Å; H169-M182 VanDerWaalsContact CD2-CE 3.47Å; H169-M182 WeakPolarHBondContact CD2-CE 3.44Å; H169-M182 WeakPolarHBondContact CE1-CE 3.01Å; H169-M182 WeakPolarHBondContact ND1-CE 3.09Å; H169-G185 VanDerWaalsContact O-CA 3.29Å; H169-G185 WeakPolarHBondContact O-CA 3.4Å
170	C	84.9	Confident	81.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	22%	0.218	C	C	.	.	S	Bend	trans	-124	153.2	174.4	-59.5	0	0	0	0	111.2	D168 N172 S173 C180 G185	D168-C170 WeakPolarHBondContact CB-O 3.43Å; C170-N172 PolarHBondContact O-N 2.91Å; C170-N172 VanDerWaalsContact O-N 3.12Å; C170-S173 PolarHBondContact O-N 2.84Å; C170-C180 HydrophobicContact CB-CB 3.67Å; C170-C180 WeakPolarHBondContact CB-SG 3.42Å; C170-C180 WeakPolarHBondContact SG-CA 3.17Å; C170-C180 WeakPolarHBondContact SG-CB 3.26Å; C170-C180 CovalentContact SG-SG 2.01Å; C170-C180 PolarHBondContact SG-SG 3.35Å; C170-G185 PolarHBondContact SG-O 3.16Å; C170-G185 VanDerWaalsContact SG-O 3.37Å
171	L	81.1	Confident	82.6	Confident	37 Å²	37	42.2 Å²	42.2	19%	0.194	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-53.6	116.7	-177.7	-173.1	63.9	0	0	0	112.4	Y91 V140 S173 C174 P195 S196	Y91-L171 HydrophobicContact CD1-CD1 4.22Å; Y91-L171 HydrophobicContact CE1-CB 4.45Å; Y91-L171 HydrophobicContact CE1-CD1 4.36Å; V140-L171 HydrophobicContact CB-CD1 4.19Å; V140-L171 HydrophobicContact CG1-CD1 3.72Å; V140-L171 HydrophobicContact CG2-CD1 4.05Å; L171-S173 PolarHBondContact O-N 2.91Å; L171-C174 PolarHBondContact O-N 3.39Å; L171-C174 VanDerWaalsContact O-N 3.09Å; L171-P195 HydrophobicContact CD2-CB 4.47Å; L171-P195 HydrophobicContact CD2-CG 4.38Å; L171-S196 VanDerWaalsContact O-CB 3.25Å; L171-S196 WeakPolarHBondContact O-CB 3.37Å
172	N	79.3	Confident	83.1	Confident	32 Å²	32	46.5 Å²	46.5	17%	0.171	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	53	29.8	-178.2	-61.2	-54.1	0	0	0	114.2	H93 E138 R166 C170 C174 N175	H93-N172 PolarHBondContact CE1-N 2.04Å; H93-N172 PolarHBondContact CE1-OD1 2.81Å; H93-N172 PolarHBondContact ND1-OD1 2.83Å; H93-N172 PolarHBondContact NE2-N 2.94Å; E138-N172 PolarHBondContact OE2-OD1 3.41Å; R166-N172 PolarHBondContact NH2-OD1 3.29Å; R166-N172 VanDerWaalsContact NH2-OD1 3.13Å; C170-N172 PolarHBondContact O-N 2.91Å; C170-N172 VanDerWaalsContact O-N 3.12Å; N172-C174 PolarHBondContact O-N 3.48Å; N172-N175 WeakPolarHBondContact O-CA 3.3Å; N172-N175 PolarHBondContact O-N 3.47Å
173	S	82.6	Confident	83.6	Confident	61 Å²	61	51.5 Å²	51.5	43%	0.427	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	49.9	36.7	-174.2	-26.4	0	0	0	0	112.5	D168 C170 L171 N175 G176	D168-S173 PolarHBondContact OD1-OG 2.8Å; C170-S173 PolarHBondContact O-N 2.84Å; L171-S173 PolarHBondContact O-N 2.91Å; S173-N175 PolarHBondContact O-N 2.78Å; S173-N175 VanDerWaalsContact O-N 3.16Å; S173-G176 PolarHBondContact O-N 3.38Å
174	C	84.1	Confident	83.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	58.1	24.1	-175.8	-46.6	0	0	0	0	114.8	L171 N172 G176 N177 G178 C187 S196	L171-C174 PolarHBondContact O-N 3.39Å; L171-C174 VanDerWaalsContact O-N 3.09Å; N172-C174 PolarHBondContact O-N 3.48Å; C174-G176 PolarHBondContact O-N 3.44Å; C174-N177 PolarHBondContact O-N 3.42Å; C174-G178 PolarHBondContact O-N 2.89Å; C174-C187 WeakPolarHBondContact CA-SG 3.15Å; C174-C187 HydrophobicContact CB-CB 3.75Å; C174-C187 WeakPolarHBondContact CB-SG 3.05Å; C174-C187 VanDerWaalsContact SG-CA 3.53Å; C174-C187 WeakPolarHBondContact SG-CB 3.43Å; C174-C187 CovalentContact SG-SG 2.03Å; C174-C187 PolarHBondContact SG-SG 3.06Å; C174-S196 CarbonylContact C-O 3.56Å; C174-S196 WeakPolarHBondContact CA-O 3.45Å
175	N	81.8	Confident	84	Confident	67 Å²	67	53.1 Å²	53.1	36%	0.358	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	50.2	21.8	-175.5	-70.3	-91.2	0	0	0	114.2	N172 S173 N177 S196	N172-N175 WeakPolarHBondContact O-CA 3.3Å; N172-N175 PolarHBondContact O-N 3.47Å; S173-N175 PolarHBondContact O-N 2.78Å; S173-N175 VanDerWaalsContact O-N 3.16Å; N175-N177 PolarHBondContact O-N 3.06Å; N175-S196 PolarHBondContact N-O 3Å; N175-S196 WeakPolarHBondContact ND2-CB 3.38Å; N175-S196 PolarHBondContact ND2-O 3.48Å; N175-S196 PolarHBondContact ND2-OG 3.34Å
176	G	82.7	Confident	84.2	Confident	59 Å²	59	55.6 Å²	55.6	61%	0.608	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	68.5	11.1	-172	0	0	0	0	0	115.1	S173 C174 F190	S173-G176 PolarHBondContact O-N 3.38Å; C174-G176 PolarHBondContact O-N 3.44Å; G176-F190 WeakPolarHBondContact O-CZ 3.4Å
177	N	86.4	Confident	84.5	Confident	22 Å²	22	52 Å²	52	12%	0.118	30%	0.303	C	S	.	.	S	Bend	trans	-109.8	4	-178.5	-69.9	-34.1	0	0	0	113.2	C174 N175 F190 K191 C197	C174-N177 PolarHBondContact O-N 3.42Å; N175-N177 PolarHBondContact O-N 3.06Å; N177-F190 VanDerWaalsContact C-CE1 3.45Å; N177-F190 VanDerWaalsContact C-CZ 3.41Å; N177-F190 WeakPolarHBondContact O-CG 3.39Å; N177-F190 PolarHBondContact O-N 2.81Å; N177-K191 HydrophobicContact CB-CB 4.08Å; N177-K191 VanDerWaalsContact CB-O 3.26Å; N177-K191 WeakPolarHBondContact CB-O 3.5Å; N177-K191 PolarHBondContact O-N 3.43Å; N177-K191 VanDerWaalsContact O-O 3.1Å; N177-C197 HydrophobicContact CB-CB 3.66Å; N177-C197 PolarHBondContact ND2-O 3.36Å
178	G	87.4	Confident	84.8	Confident	13 Å²	13	55.6 Å²	55.6	13%	0.134	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	170	179.2	0	0	0	0	0	112.7	C174 N188 F190	C174-G178 PolarHBondContact O-N 2.89Å; G178-N188 CarbonylContact C-O 3.51Å; G178-N188 WeakPolarHBondContact CA-O 3.11Å; G178-F190 VanDerWaalsContact CA-CE1 3.42Å; G178-F190 VanDerWaalsContact N-CE1 3.31Å
179	I	90.6	Very high	84.8	Confident	118 Å²	118	56.5 Å²	56.5	61%	0.605	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.4	173.5	-58.2	174.4	0	0	0	108.1	N188 F190	I179-N188 PolarHBondContact N-O 3.09Å; I179-N188 PolarHBondContact O-N 3.42Å; I179-F190 HydrophobicContact CG1-CD1 4.28Å; I179-F190 HydrophobicContact CG1-CE1 4.39Å
180	C	88.6	Confident	84.8	Confident	35 Å²	35	61.3 Å²	61.3	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125	178.6	171.9	0	0	0	0	111.1	C170 M182	C170-C180 HydrophobicContact CB-CB 3.67Å; C170-C180 WeakPolarHBondContact CB-SG 3.42Å; C170-C180 WeakPolarHBondContact SG-CA 3.17Å; C170-C180 WeakPolarHBondContact SG-CB 3.26Å; C170-C180 CovalentContact SG-SG 2.01Å; C170-C180 PolarHBondContact SG-SG 3.35Å; C180-M182 PolarHBondContact O-N 3.34Å
181	N	87.3	Confident	84.4	Confident	72 Å²	72	66.9 Å²	66.9	39%	0.385	38%	0.375	S	S	.	.			trans	-82.5	105.7	165.8	-176	-16.2	0	0	0	109.4	T183 T184 G185 E186	N181-T183 PolarHBondContact O-N 3.27Å; N181-T183 VanDerWaalsContact O-N 3.12Å; N181-T183 PolarHBondContact OD1-N 3.3Å; N181-T183 VanDerWaalsContact OD1-N 3.08Å; N181-T184 WeakPolarHBondContact CB-OG1 3.46Å; N181-T184 VanDerWaalsContact CG-OG1 3.26Å; N181-T184 PolarHBondContact ND2-OG1 3.05Å; N181-T184 PolarHBondContact O-N 2.75Å; N181-G185 WeakPolarHBondContact O-CA 3.49Å; N181-G185 PolarHBondContact O-N 2.7Å; N181-E186 PolarHBondContact N-O 3.47Å
182	M	82.1	Confident	84	Confident	104 Å²	104	66.6 Å²	66.6	51%	0.512	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	-175.4	-56.4	-67.5	-82.1	0	0	113.8	H169 C180	H169-M182 HydrophobicContact CB-CE 3.88Å; H169-M182 HydrophobicContact CB-SD 3.53Å; H169-M182 VanDerWaalsContact CB-SD 3.53Å; H169-M182 VanDerWaalsContact CD2-CE 3.47Å; H169-M182 WeakPolarHBondContact CD2-CE 3.44Å; H169-M182 WeakPolarHBondContact CE1-CE 3.01Å; H169-M182 WeakPolarHBondContact ND1-CE 3.09Å; C180-M182 PolarHBondContact O-N 3.34Å
183	T	81.1	Confident	83.7	Confident	135 Å²	135	67.7 Å²	67.7	83%	0.828	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-36.8	-177.7	-35.4	0	0	0	0	112.3	N181	N181-T183 PolarHBondContact O-N 3.27Å; N181-T183 VanDerWaalsContact O-N 3.12Å; N181-T183 PolarHBondContact OD1-N 3.3Å; N181-T183 VanDerWaalsContact OD1-N 3.08Å
184	T	82.6	Confident	83.2	Confident	75 Å²	75	66.6 Å²	66.6	46%	0.46	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-17.5	-178.9	64.2	0	0	0	0	113.3	N181 E186	N181-T184 WeakPolarHBondContact CB-OG1 3.46Å; N181-T184 VanDerWaalsContact CG-OG1 3.26Å; N181-T184 PolarHBondContact ND2-OG1 3.05Å; N181-T184 PolarHBondContact O-N 2.75Å; T184-E186 PolarHBondContact O-N 2.84Å; T184-E186 WeakPolarHBondContact OG1-CB 3.38Å; T184-E186 PolarHBondContact OG1-N 3.43Å
185	G	82.6	Confident	82.9	Confident	3 Å²	3	71.6 Å²	71.6	3%	0.031	42%	0.422	C	S	.	.			trans	74.5	7.6	-172.7	0	0	0	0	0	114.1	H169 C170 N181	H169-G185 VanDerWaalsContact O-CA 3.29Å; H169-G185 WeakPolarHBondContact O-CA 3.4Å; C170-G185 PolarHBondContact SG-O 3.16Å; C170-G185 VanDerWaalsContact SG-O 3.37Å; N181-G185 WeakPolarHBondContact O-CA 3.49Å; N181-G185 PolarHBondContact O-N 2.7Å
186	E	86.2	Confident	82.8	Confident	135 Å²	135	68.9 Å²	68.9	63%	0.631	41%	0.408	S	S	*	.			trans	-89.6	141.6	-176.6	-64	177.9	155.7	0	0	112.5	N181 T184	N181-E186 PolarHBondContact N-O 3.47Å; T184-E186 PolarHBondContact O-N 2.84Å; T184-E186 WeakPolarHBondContact OG1-CB 3.38Å; T184-E186 PolarHBondContact OG1-N 3.43Å
187	C	88.5	Confident	82.8	Confident	21 Å²	21	66.1 Å²	66.1	14%	0.142	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123	175	-72.8	0	0	0	0	111.9	C174 P195	C174-C187 WeakPolarHBondContact CA-SG 3.15Å; C174-C187 HydrophobicContact CB-CB 3.75Å; C174-C187 WeakPolarHBondContact CB-SG 3.05Å; C174-C187 VanDerWaalsContact SG-CA 3.53Å; C174-C187 WeakPolarHBondContact SG-CB 3.43Å; C174-C187 CovalentContact SG-SG 2.03Å; C174-C187 PolarHBondContact SG-SG 3.06Å; C187-P195 WeakPolarHBondContact CB-O 3.12Å
188	N	90.6	Very high	82.2	Confident	119 Å²	119	71.8 Å²	71.8	64%	0.636	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	103	166.7	-174.8	2.6	0	0	0	110	G178 I179 F190	G178-N188 CarbonylContact C-O 3.51Å; G178-N188 WeakPolarHBondContact CA-O 3.11Å; I179-N188 PolarHBondContact N-O 3.09Å; I179-N188 PolarHBondContact O-N 3.42Å; N188-F190 PolarHBondContact O-N 3.12Å
189	C	85.7	Confident	81.3	Confident	39 Å²	39	73.6 Å²	73.6	26%	0.264	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.8	-174	-54.4	0	0	0	0	112.3	G194 C197	C189-G194 PolarHBondContact SG-O 3.01Å; C189-G194 VanDerWaalsContact SG-O 3.39Å; C189-C197 WeakPolarHBondContact CA-SG 3.38Å; C189-C197 HydrophobicContact CB-CB 3.78Å; C189-C197 WeakPolarHBondContact CB-SG 3.44Å; C189-C197 WeakPolarHBondContact SG-CA 3.36Å; C189-C197 WeakPolarHBondContact SG-CB 3.33Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 2.03Å
190	F	85.1	Confident	80	Confident	139 Å²	139	71.7 Å²	71.7	61%	0.61	40%	0.402	S	S	*	.	S	Bend	trans	-90.1	-19.1	166.5	58	-101.5	0	0	0	112	G176 N177 G178 I179 N188	G176-F190 WeakPolarHBondContact O-CZ 3.4Å; N177-F190 VanDerWaalsContact C-CE1 3.45Å; N177-F190 VanDerWaalsContact C-CZ 3.41Å; N177-F190 WeakPolarHBondContact O-CG 3.39Å; N177-F190 PolarHBondContact O-N 2.81Å; G178-F190 VanDerWaalsContact CA-CE1 3.42Å; G178-F190 VanDerWaalsContact N-CE1 3.31Å; I179-F190 HydrophobicContact CG1-CD1 4.28Å; I179-F190 HydrophobicContact CG1-CE1 4.39Å; N188-F190 PolarHBondContact O-N 3.12Å
191	K	77.1	Confident	78.5	Confident	119 Å²	119	73.4 Å²	73.4	52%	0.517	41%	0.414	S	S	.	.	S	Bend	trans	-137.4	143.3	174.1	-171.9	175	179.5	-175.4	0	109.1	N177	N177-K191 HydrophobicContact CB-CB 4.08Å; N177-K191 VanDerWaalsContact CB-O 3.26Å; N177-K191 WeakPolarHBondContact CB-O 3.5Å; N177-K191 PolarHBondContact O-N 3.43Å; N177-K191 VanDerWaalsContact O-O 3.1Å
192	G	71.9	Confident	77	Confident	30 Å²	30	71.2 Å²	71.2	31%	0.309	40%	0.404	S	S	.	.	S	Bend	trans	67.3	-171.7	-177.2	0	0	0	0	0	114.3	T199	G192-T199 CarbonylContact C-O 3.59Å; G192-T199 WeakPolarHBondContact CA-O 3.13Å
193	S	73	Confident	75.7	Confident	55 Å²	55	71.5 Å²	71.5	39%	0.385	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-143.1	170	-175.9	61.7	0	0	0	0	112.5	C197 K198 T199	S193-C197 CarbonylContact O-C 3.53Å; S193-C197 WeakPolarHBondContact O-CA 3.19Å; S193-K198 PolarHBondContact O-N 2.86Å; S193-T199 PolarHBondContact N-O 3.05Å; S193-T199 WeakPolarHBondContact O-CB 3.46Å; S193-T199 PolarHBondContact O-N 3.14Å; S193-T199 VanDerWaalsContact O-N 3.16Å; S193-T199 WeakPolarHBondContact OG-CB 3.1Å
194	G	71.4	Confident	74.3	Confident	39 Å²	39	69.3 Å²	69.3	40%	0.402	39%	0.388	S	S	.	.	S	Bend	trans	90.9	173.5	-178.3	0	0	0	0	0	114	C189 S196 C197	C189-G194 PolarHBondContact SG-O 3.01Å; C189-G194 VanDerWaalsContact SG-O 3.39Å; G194-S196 PolarHBondContact O-N 3.05Å; G194-C197 PolarHBondContact O-N 3.39Å
195	P	78.9	Confident	72.6	Confident	105 Å²	105	71.2 Å²	71.2	68%	0.682	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16	-170	24.9	-35	0	0	0	114.8	L171 C187	L171-P195 HydrophobicContact CD2-CB 4.47Å; L171-P195 HydrophobicContact CD2-CG 4.38Å; C187-P195 WeakPolarHBondContact CB-O 3.12Å
196	S	79.3	Confident	71.3	Confident	10 Å²	10	71.3 Å²	71.3	7%	0.07	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	11.1	174.6	58.1	0	0	0	0	113.3	L171 C174 N175 G194 K198	L171-S196 VanDerWaalsContact O-CB 3.25Å; L171-S196 WeakPolarHBondContact O-CB 3.37Å; C174-S196 CarbonylContact C-O 3.56Å; C174-S196 WeakPolarHBondContact CA-O 3.45Å; N175-S196 PolarHBondContact N-O 3Å; N175-S196 WeakPolarHBondContact ND2-CB 3.38Å; N175-S196 PolarHBondContact ND2-O 3.48Å; N175-S196 PolarHBondContact ND2-OG 3.34Å; G194-S196 PolarHBondContact O-N 3.05Å; S196-K198 PolarHBondContact O-N 2.03Å; S196-K198 VanDerWaalsContact O-N 3.12Å
197	C	81.6	Confident	69.7	Low	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	56.5	26.3	-176.3	-42.3	0	0	0	0	114.1	N177 C189 S193 G194	N177-C197 HydrophobicContact CB-CB 3.66Å; N177-C197 PolarHBondContact ND2-O 3.36Å; C189-C197 WeakPolarHBondContact CA-SG 3.38Å; C189-C197 HydrophobicContact CB-CB 3.78Å; C189-C197 WeakPolarHBondContact CB-SG 3.44Å; C189-C197 WeakPolarHBondContact SG-CA 3.36Å; C189-C197 WeakPolarHBondContact SG-CB 3.33Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 2.03Å; S193-C197 CarbonylContact O-C 3.53Å; S193-C197 WeakPolarHBondContact O-CA 3.19Å; G194-C197 PolarHBondContact O-N 3.39Å
198	K	75.1	Confident	67.9	Low	141 Å²	141	72.9 Å²	72.9	61%	0.613	41%	0.408	S	S	*	.			trans	-75.1	-34.5	-177.4	-174.8	177	177	179.8	0	112.7	S193 S196 I200	S193-K198 PolarHBondContact O-N 2.86Å; S196-K198 PolarHBondContact O-N 2.03Å; S196-K198 VanDerWaalsContact O-N 3.12Å; K198-I200 PolarHBondContact O-N 3.44Å
199	T	67.6	Low	65.8	Low	52 Å²	52	72.3 Å²	72.3	32%	0.319	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-74.2	102.9	-173.8	-55.7	0	0	0	0	109.3	G192 S193 E204	G192-T199 CarbonylContact C-O 3.59Å; G192-T199 WeakPolarHBondContact CA-O 3.13Å; S193-T199 PolarHBondContact N-O 3.05Å; S193-T199 WeakPolarHBondContact O-CB 3.46Å; S193-T199 PolarHBondContact O-N 3.14Å; S193-T199 VanDerWaalsContact O-N 3.16Å; S193-T199 WeakPolarHBondContact OG-CB 3.1Å; T199-E204 HydrophobicContact CG2-CG 4.22Å; T199-E204 WeakPolarHBondContact CG2-OE1 2.99Å
200	I	63.3	Low	64.2	Low	78 Å²	78	71.3 Å²	71.3	40%	0.4	40%	0.399	S	S	.	.			trans	-96	125.5	174.3	-58.4	170.7	0	0	0	107.4	K198 C202 N203	K198-I200 PolarHBondContact O-N 3.44Å; I200-C202 HydrophobicContact CG2-CB 4.49Å; I200-C202 PolarHBondContact O-N 3.27Å; I200-N203 PolarHBondContact O-N 3.22Å; I200-N203 VanDerWaalsContact O-N 3.14Å
201	S	57.8	Low	62.5	Low	71 Å²	71	65.2 Å²	65.2	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-53.3	-17.5	-173.2	-54.2	0	0	0	0	115.4	M205	S201-M205 WeakPolarHBondContact O-CB 3.07Å; S201-M205 WeakPolarHBondContact O-CG 3.11Å; S201-M205 PolarHBondContact O-N 3.31Å
202	C	55.8	Low	61.5	Low	25 Å²	25	64.9 Å²	64.9	17%	0.169	37%	0.374	C	S	.	.	H	α-helix	trans	-68.6	-39.1	177.9	168	0	0	0	0	113.9	I200 E204 M205 C206 C222	I200-C202 HydrophobicContact CG2-CB 4.49Å; I200-C202 PolarHBondContact O-N 3.27Å; C202-E204 VanDerWaalsContact C-N 3.34Å; C202-M205 PolarHBondContact O-N 3.26Å; C202-C206 PolarHBondContact O-N 2.91Å; C202-C222 HydrophobicContact CB-CB 4.09Å; C202-C222 WeakPolarHBondContact CB-SG 3.35Å; C202-C222 WeakPolarHBondContact SG-CB 3.39Å; C202-C222 CovalentContact SG-SG 2Å; C202-C222 PolarHBondContact SG-SG 3.03Å
203	N	55.1	Low	60.7	Low	110 Å²	110	67.9 Å²	67.9	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-65.7	-40.6	175	-93.1	-0.9	0	0	0	110.9	I200 A207 L213	I200-N203 PolarHBondContact O-N 3.22Å; I200-N203 VanDerWaalsContact O-N 3.14Å; N203-A207 WeakPolarHBondContact O-CB 3.2Å; N203-A207 PolarHBondContact O-N 3.44Å; N203-L213 VanDerWaalsContact OD1-CD1 3.3Å; N203-L213 WeakPolarHBondContact OD1-CD1 3.5Å
204	E	50.5	Low	59.7	Low	89 Å²	89	74.1 Å²	74.1	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-43.6	172.6	-71.7	-176.4	157.7	0	0	111.3	T199 C202 A207 Q208	T199-E204 HydrophobicContact CG2-CG 4.22Å; T199-E204 WeakPolarHBondContact CG2-OE1 2.99Å; C202-E204 VanDerWaalsContact C-N 3.34Å; E204-A207 PolarHBondContact O-N 3.48Å; E204-Q208 WeakPolarHBondContact O-CA 3.41Å; E204-Q208 WeakPolarHBondContact O-CB 3.23Å; E204-Q208 WeakPolarHBondContact O-CG 3.07Å; E204-Q208 PolarHBondContact O-N 2.77Å
205	M	48	Very low	58.7	Low	115 Å²	115	80.9 Å²	80.9	57%	0.567	42%	0.416	S	S	*	.	H	α-helix	trans	-61.5	-47.4	178	-90.5	-172.2	172	0	0	112.5	S201 C202 N209	S201-M205 WeakPolarHBondContact O-CB 3.07Å; S201-M205 WeakPolarHBondContact O-CG 3.11Å; S201-M205 PolarHBondContact O-N 3.31Å; C202-M205 PolarHBondContact O-N 3.26Å; M205-N209 WeakPolarHBondContact O-CB 3.47Å; M205-N209 PolarHBondContact O-N 3.06Å; M205-N209 PolarHBondContact O-ND2 3.19Å
206	C	55.6	Low	57.2	Low	5 Å²	5	76.9 Å²	76.9	3%	0.034	39%	0.394	C	S	.	.	H	α-helix	trans	-72.6	-33.6	178.4	-67	0	0	0	0	112.4	C202 A210 G211 L213 C224	C202-C206 PolarHBondContact O-N 2.91Å; C206-A210 PolarHBondContact O-N 3.27Å; C206-G211 PolarHBondContact O-N 3.35Å; C206-L213 HydrophobicContact CB-CG 4.38Å; C206-C224 WeakPolarHBondContact CA-SG 3.33Å; C206-C224 HydrophobicContact CB-CB 3.96Å; C206-C224 WeakPolarHBondContact CB-SG 3.32Å; C206-C224 WeakPolarHBondContact SG-CB 3.5Å; C206-C224 CovalentContact SG-SG 2.04Å; C206-C224 PolarHBondContact SG-SG 3.25Å
207	A	52	Low	55.8	Low	58 Å²	58	87.1 Å²	87.1	48%	0.479	44%	0.437	S	S	.	.	H	α-helix	trans	-69.6	-38.2	173.9	0	0	0	0	0	112.6	N203 E204	N203-A207 WeakPolarHBondContact O-CB 3.2Å; N203-A207 PolarHBondContact O-N 3.44Å; E204-A207 PolarHBondContact O-N 3.48Å
208	Q	50.2	Low	53.9	Low	131 Å²	131	93.1 Å²	93.1	61%	0.612	47%	0.47	S	S	*	.	H	α-helix	trans	-70.2	-44.5	174.2	-75.2	175.8	-0.9	0	0	111.2	E204 A210	E204-Q208 WeakPolarHBondContact O-CA 3.41Å; E204-Q208 WeakPolarHBondContact O-CB 3.23Å; E204-Q208 WeakPolarHBondContact O-CG 3.07Å; E204-Q208 PolarHBondContact O-N 2.77Å; Q208-A210 PolarHBondContact O-N 2.65Å
209	N	47.8	Very low	52.7	Low	108 Å²	108	93.5 Å²	93.5	58%	0.578	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	4.2	-179.8	-67.2	-23.1	0	0	0	113.9	M205 G211	M205-N209 WeakPolarHBondContact O-CB 3.47Å; M205-N209 PolarHBondContact O-N 3.06Å; M205-N209 PolarHBondContact O-ND2 3.19Å; N209-G211 PolarHBondContact O-N 3.46Å
210	A	50.6	Low	51.8	Low	17 Å²	17	102.4 Å²	102.4	14%	0.14	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	57	178.9	0	0	0	0	0	112	C206 Q208 F227	C206-A210 PolarHBondContact O-N 3.27Å; Q208-A210 PolarHBondContact O-N 2.65Å; A210-F227 VanDerWaalsContact C-CE2 3.47Å; A210-F227 HydrophobicContact CB-CD2 3.77Å; A210-F227 HydrophobicContact CB-CE2 4.09Å; A210-F227 WeakPolarHBondContact O-CD2 3.47Å; A210-F227 PolarHBondContact O-N 2.97Å
211	G	51	Low	50.8	Low	11 Å²	11	105 Å²	105	11%	0.113	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.7	174.4	0	0	0	0	0	114.8	C206 N209 E225	C206-G211 PolarHBondContact O-N 3.35Å; N209-G211 PolarHBondContact O-N 3.46Å; G211-E225 CarbonylContact C-O 3.39Å; G211-E225 WeakPolarHBondContact CA-O 3.17Å
212	K	54.2	Low	50.7	Low	113 Å²	113	105 Å²	105	49%	0.491	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.1	173.8	-67.2	179.1	-176.7	171.6	0	110	C224 E225 F227	K212-C224 WeakPolarHBondContact O-CA 3.35Å; K212-E225 HydrophobicContact CB-CB 4.5Å; K212-E225 PolarHBondContact N-O 3.46Å; K212-E225 PolarHBondContact O-N 2.87Å; K212-F227 HydrophobicContact CG-CE1 4.37Å
213	L	55.1	Low	50.3	Low	92 Å²	92	110.2 Å²	110.2	48%	0.482	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.2	169.7	-80.2	162.4	0	0	0	109.8	N203 C206 C222	N203-L213 VanDerWaalsContact OD1-CD1 3.3Å; N203-L213 WeakPolarHBondContact OD1-CD1 3.5Å; C206-L213 HydrophobicContact CB-CG 4.38Å; L213-C222 HydrophobicContact CD2-CB 4.48Å
214	R	53.1	Low	50.3	Low	186 Å²	186	107.3 Å²	107.3	70%	0.702	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.5	164.5	-162.1	176.2	178.6	-179.1	0.2	109.5	G216 K223	R214-G216 PolarHBondContact O-N 2.81Å; R214-G216 VanDerWaalsContact O-N 3.08Å; R214-K223 PolarHBondContact N-O 2.98Å
215	K	49.6	Very low	50.7	Low	182 Å²	182	109 Å²	109	79%	0.791	53%	0.531	S	S	*	.			trans	-59.6	113.4	168.8	-76.3	-170.3	176.3	-172.5	0	108.5
216	G	48.3	Very low	51.1	Low	20 Å²	20	111.6 Å²	111.6	21%	0.206	54%	0.542	C	S	.	.			trans	-69	164	168.2	0	0	0	0	0	111	R214 N218	R214-G216 PolarHBondContact O-N 2.81Å; R214-G216 VanDerWaalsContact O-N 3.08Å; G216-N218 PolarHBondContact O-N 2.96Å; G216-N218 VanDerWaalsContact O-N 3.13Å
217	F	50.5	Low	51.2	Low	225 Å²	225	113.1 Å²	113.1	99%	0.987	55%	0.548	S	S	*	.	S	Bend	trans	-57.6	-24.1	177.1	-94.5	-95.4	0	0	0	113.4
218	N	41.8	Very low	51.7	Low	127 Å²	127	116.5 Å²	116.5	68%	0.679	55%	0.554	S	S	*	*	S	Bend	trans	-123.8	135.3	167	-72	-31.8	0	0	0	107.3	G216 R220 E221	G216-N218 PolarHBondContact O-N 2.96Å; G216-N218 VanDerWaalsContact O-N 3.13Å; N218-R220 PolarHBondContact O-N 2.84Å; N218-E221 PolarHBondContact O-N 2.63Å
219	D	49.2	Very low	52.3	Low	148 Å²	148	114.7 Å²	114.7	79%	0.791	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	22.9	178.6	-83.7	-33.3	0	0	0	114.8
220	R	47.5	Very low	53.4	Low	239 Å²	239	110.1 Å²	110.1	90%	0.902	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-12.8	-177.5	-65.8	-174.8	-174.3	-177.2	2.3	115.1	N218	N218-R220 PolarHBondContact O-N 2.84Å
221	E	43.7	Very low	54.7	Low	133 Å²	133	112.8 Å²	112.8	62%	0.621	54%	0.541	S	S	*	.			trans	-109	119.7	179.2	-75.5	-175.9	179.5	0	0	112	N218 K223	N218-E221 PolarHBondContact O-N 2.63Å; E221-K223 PolarHBondContact O-N 3.37Å
222	C	54.3	Low	56.3	Low	72 Å²	72	113.7 Å²	113.7	49%	0.486	55%	0.548	S	S	.	.			trans	-85.6	107.1	172.4	-69.9	0	0	0	0	110.8	C202 L213	C202-C222 HydrophobicContact CB-CB 4.09Å; C202-C222 WeakPolarHBondContact CB-SG 3.35Å; C202-C222 WeakPolarHBondContact SG-CB 3.39Å; C202-C222 CovalentContact SG-SG 2Å; C202-C222 PolarHBondContact SG-SG 3.03Å; L213-C222 HydrophobicContact CD2-CB 4.48Å
223	K	47.9	Very low	57.5	Low	134 Å²	134	110 Å²	110	58%	0.583	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.5	165.6	-68.7	-175.4	179.7	-179.3	0	108.5	R214 E221	R214-K223 PolarHBondContact N-O 2.98Å; E221-K223 PolarHBondContact O-N 3.37Å
224	C	56.5	Low	58.8	Low	49 Å²	49	106.4 Å²	106.4	33%	0.331	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.5	170.5	-46.6	0	0	0	0	108.8	C206 K212	C206-C224 WeakPolarHBondContact CA-SG 3.33Å; C206-C224 HydrophobicContact CB-CB 3.96Å; C206-C224 WeakPolarHBondContact CB-SG 3.32Å; C206-C224 WeakPolarHBondContact SG-CB 3.5Å; C206-C224 CovalentContact SG-SG 2.04Å; C206-C224 PolarHBondContact SG-SG 3.25Å; K212-C224 WeakPolarHBondContact O-CA 3.35Å
225	E	58.1	Low	60.1	Low	123 Å²	123	102 Å²	102	58%	0.575	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.9	173.2	-171	171.7	-149.9	0	0	109.4	G211 K212 F227	G211-E225 CarbonylContact C-O 3.39Å; G211-E225 WeakPolarHBondContact CA-O 3.17Å; K212-E225 HydrophobicContact CB-CB 4.5Å; K212-E225 PolarHBondContact N-O 3.46Å; K212-E225 PolarHBondContact O-N 2.87Å; E225-F227 PolarHBondContact O-N 3.27Å
226	Q	55.2	Low	61.5	Low	170 Å²	170	96.9 Å²	96.9	79%	0.794	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	136.2	179.8	-72	179.5	-8.8	0	0	110.9
227	F	59.6	Low	63.1	Low	38 Å²	38	97.1 Å²	97.1	17%	0.167	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-55.1	148.1	169.9	-72.7	-77.3	0	0	0	111.1	A210 K212 E225 Q233	A210-F227 VanDerWaalsContact C-CE2 3.47Å; A210-F227 HydrophobicContact CB-CD2 3.77Å; A210-F227 HydrophobicContact CB-CE2 4.09Å; A210-F227 WeakPolarHBondContact O-CD2 3.47Å; A210-F227 PolarHBondContact O-N 2.97Å; K212-F227 HydrophobicContact CG-CE1 4.37Å; E225-F227 PolarHBondContact O-N 3.27Å; F227-Q233 HydrophobicContact CD2-CG 4.43Å
228	H	62.7	Low	64	Low	129 Å²	129	89.2 Å²	89.2	60%	0.597	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-60.2	134.9	170.8	-71	-63.3	0	0	0	109.6	G230 E231	H228-G230 PolarHBondContact O-N 2.92Å; H228-G230 VanDerWaalsContact O-N 3.09Å; H228-E231 HydrophobicContact CB-CG 4.03Å; H228-E231 IonicContact CD2-OE1 2.73Å; H228-E231 PolarHBondContact CD2-OE1 2.9Å; H228-E231 IonicContact CG-OE1 3.37Å; H228-E231 PolarHBondContact O-N 3.16Å
229	P	61.4	Low	65	Low	93 Å²	93	86 Å²	86	60%	0.604	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	119.6	174.5	-25.1	33.8	0	0	0	110.2	H550	P229-H550 VanDerWaalsContact C-CD2 3.48Å; P229-H550 VanDerWaalsContact CB-CD2 3.43Å; P229-H550 WeakPolarHBondContact CB-CD2 3.43Å; P229-H550 WeakPolarHBondContact CB-NE2 3.38Å; P229-H550 WeakPolarHBondContact O-CB 3.25Å; P229-H550 PolarHBondContact O-CD2 2.96Å
230	G	70.5	Confident	65.9	Low	12 Å²	12	84.5 Å²	84.5	12%	0.124	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-6.3	176.9	0	0	0	0	0	116.5	H228 G546 N547 Q562	H228-G230 PolarHBondContact O-N 2.92Å; H228-G230 VanDerWaalsContact O-N 3.09Å; G230-G546 CarbonylContact O-C 3.32Å; G230-G546 VanDerWaalsContact O-C 3.32Å; G230-G546 WeakPolarHBondContact O-CA 3.45Å; G230-N547 PolarHBondContact O-N 3.4Å; G230-Q562 PolarHBondContact O-NE2 2.8Å; G230-Q562 PolarHBondContact O-OE1 2.97Å
231	E	78.8	Confident	67.4	Low	72 Å²	72	73.3 Å²	73.3	34%	0.336	38%	0.382	S	S	.	.			trans	-71.8	153.3	172.7	-70.8	180	168.9	0	0	112.7	H228	H228-E231 HydrophobicContact CB-CG 4.03Å; H228-E231 IonicContact CD2-OE1 2.73Å; H228-E231 PolarHBondContact CD2-OE1 2.9Å; H228-E231 IonicContact CG-OE1 3.37Å; H228-E231 PolarHBondContact O-N 3.16Å
232	A	83.8	Confident	68.9	Low	30 Å²	30	70.4 Å²	70.4	25%	0.248	38%	0.375	C	S	.	.			trans	-68.1	143.8	171.3	0	0	0	0	0	110.7	F543 K544 Q562	A232-F543 HydrophobicContact CB-CE2 3.66Å; A232-F543 HydrophobicContact CB-CZ 3.75Å; A232-K544 CarbonylContact C-O 3.46Å; A232-K544 WeakPolarHBondContact CA-O 3.07Å; A232-Q562 WeakPolarHBondContact CB-O 3.44Å
233	Q	80.3	Confident	70.3	Confident	35 Å²	35	69.2 Å²	69.2	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.1	-173.3	-61.2	-177.1	1.4	0	0	111.6	F227 F543 K544	F227-Q233 HydrophobicContact CD2-CG 4.43Å; Q233-F543 WeakPolarHBondContact O-CA 3.44Å; Q233-K544 HydrophobicContact CB-CB 4.38Å; Q233-K544 PolarHBondContact N-O 3.44Å; Q233-K544 PolarHBondContact O-N 3.3Å
234	W	82.9	Confident	72.3	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.068	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.2	171.7	-73.8	95	0	0	0	110.8	L469 I489 Y507 L508 L512 L541 L542 F543	W234-L469 HydrophobicContact CH2-CD1 3.85Å; W234-L469 HydrophobicContact CH2-CD2 3.8Å; W234-L469 HydrophobicContact CZ2-CD2 4.14Å; W234-L469 HydrophobicContact CZ3-CD1 4.48Å; W234-I489 HydrophobicContact CZ2-CD1 3.54Å; W234-Y507 PolarHBondContact O-OH 3.4Å; W234-L508 HydrophobicContact CB-CD1 3.12Å; W234-L508 HydrophobicContact CD2-CD1 4.12Å; W234-L508 HydrophobicContact CG-CD1 3.5Å; W234-L512 HydrophobicContact CD2-CD1 4.48Å; W234-L512 HydrophobicContact CE3-CD2 4.24Å; W234-L512 HydrophobicContact CH2-CD2 4.01Å; W234-L512 HydrophobicContact CZ3-CD2 3.76Å; W234-L541 HydrophobicContact CE3-CB 4.45Å; W234-L541 HydrophobicContact CZ3-CB 4.38Å; W234-L542 CarbonylContact C-O 3.59Å; W234-L542 VanDerWaalsContact CA-O 3.28Å; W234-L542 WeakPolarHBondContact CA-O 3.43Å; W234-F543 AromaticContact CD1-CD2 3.87Å; W234-F543 HydrophobicContact CD2-CB 4.12Å; W234-F543 AromaticContact CD2-CD2 3.68Å; W234-F543 HydrophobicContact CD2-CD2 3.68Å; W234-F543 HydrophobicContact CD2-CG 4.36Å; W234-F543 AromaticContact CE2-CD2 3.2Å; W234-F543 AromaticContact CE2-CE2 3.83Å; W234-F543 AromaticContact CE2-CG 3.99Å; W234-F543 HydrophobicContact CE3-CB 3.88Å; W234-F543 HydrophobicContact CE3-CD2 4.32Å; W234-F543 HydrophobicContact CG-CD2 4.07Å; W234-F543 HydrophobicContact CH2-CB 3.69Å; W234-F543 HydrophobicContact CH2-CD2 4.11Å; W234-F543 HydrophobicContact CH2-CG 4.08Å; W234-F543 HydrophobicContact CZ2-CB 3.93Å; W234-F543 AromaticContact CZ2-CD2 3.43Å; W234-F543 HydrophobicContact CZ2-CD2 3.43Å; W234-F543 VanDerWaalsContact CZ2-CD2 3.43Å; W234-F543 HydrophobicContact CZ2-CE2 4.07Å; W234-F543 AromaticContact CZ2-CG 3.82Å; W234-F543 HydrophobicContact CZ2-CG 3.82Å; W234-F543 HydrophobicContact CZ3-CB 3.68Å; W234-F543 HydrophobicContact CZ3-CG 4.46Å; W234-F543 AromaticContact NE1-CD2 3.36Å; W234-F543 AromaticContact NE1-CE2 3.56Å
235	R	80.5	Confident	74	Confident	93 Å²	93	61.1 Å²	61.1	35%	0.351	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.3	174.9	-60.2	-175.7	-175.9	-166.3	-3.6	110.4	L237 L541 L542	R235-L237 HydrophobicContact CB-CD2 4.29Å; R235-L541 WeakPolarHBondContact O-CA 3.18Å; R235-L542 HydrophobicContact CB-CB 4.37Å; R235-L542 PolarHBondContact N-O 2.8Å; R235-L542 PolarHBondContact O-N 2.88Å
236	V	78.5	Confident	75.7	Confident	75 Å²	75	55.2 Å²	55.2	46%	0.455	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.6	164.1	-173	0	0	0	0	106.4	L508 L541	V236-L508 HydrophobicContact CG2-CD2 3.92Å; V236-L541 HydrophobicContact CB-CD2 4.05Å; V236-L541 HydrophobicContact CG1-CD2 3.98Å; V236-L541 HydrophobicContact CG2-CD2 3.72Å
237	L	82.1	Confident	77.5	Confident	24 Å²	24	48 Å²	48	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	174.6	173.1	-56.4	-174.3	0	0	0	109.9	R235 S239 Y276 Y527 V540 L542	R235-L237 HydrophobicContact CB-CD2 4.29Å; L237-S239 PolarHBondContact O-N 2.98Å; L237-Y276 VanDerWaalsContact CD1-OH 3.27Å; L237-Y276 WeakPolarHBondContact CD1-OH 3.47Å; L237-Y527 HydrophobicContact CD1-CD1 4.05Å; L237-Y527 HydrophobicContact CD1-CE1 3.72Å; L237-V540 WeakPolarHBondContact CA-O 3.3Å; L237-V540 HydrophobicContact CB-CB 4.12Å; L237-V540 HydrophobicContact CB-CG1 4.34Å; L237-V540 WeakPolarHBondContact CB-O 3.33Å; L237-V540 HydrophobicContact CD1-CG1 4.11Å; L237-V540 PolarHBondContact N-O 2.84Å; L237-L542 HydrophobicContact CD1-CB 3.83Å; L237-L542 HydrophobicContact CD1-CD2 4.33Å; L237-L542 HydrophobicContact CD2-CB 4.22Å; L237-L542 HydrophobicContact CD2-CD2 4.29Å; L237-L542 HydrophobicContact CG-CB 3.91Å
238	N	68.1	Low	79.3	Confident	60 Å²	60	46.6 Å²	46.6	32%	0.321	26%	0.258	S	S	.	.			trans	-51.3	136.7	-172	-166.6	8.7	0	0	0	113.3	D240 N281	N238-D240 VanDerWaalsContact ND2-CG 3.33Å; N238-D240 PolarHBondContact ND2-OD2 3.35Å; N238-D240 PolarHBondContact OD1-N 2.86Å; N238-D240 PolarHBondContact OD1-OD1 3.43Å; N238-D240 PolarHBondContact OD1-OD2 3.41Å; N238-N281 WeakPolarHBondContact CB-O 3.36Å
239	S	63.6	Low	81	Confident	60 Å²	60	40.8 Å²	40.8	42%	0.42	23%	0.232	S	C	.	.			trans	-99.6	13.3	-178.1	58.5	0	0	0	0	113.9	L237 A241 N538	L237-S239 PolarHBondContact O-N 2.98Å; S239-A241 PolarHBondContact O-N 3.38Å; S239-N538 PolarHBondContact O-ND2 2.72Å
240	D	67.7	Low	82.7	Confident	116 Å²	116	36.8 Å²	36.8	62%	0.62	21%	0.206	S	C	*	.			trans	-70.7	9.7	-176.9	-69.1	-19.1	0	0	0	114.7	N238	N238-D240 VanDerWaalsContact ND2-CG 3.33Å; N238-D240 PolarHBondContact ND2-OD2 3.35Å; N238-D240 PolarHBondContact OD1-N 2.86Å; N238-D240 PolarHBondContact OD1-OD1 3.43Å; N238-D240 PolarHBondContact OD1-OD2 3.41Å
241	A	78.7	Confident	83.9	Confident	4 Å²	4	37 Å²	37	3%	0.033	21%	0.206	C	C	.	.			trans	-60.3	131.7	168.3	0	0	0	0	0	108.8	S239 F243 W283 N538	S239-A241 PolarHBondContact O-N 3.38Å; A241-F243 PolarHBondContact O-N 3Å; A241-F243 VanDerWaalsContact O-N 3.08Å; A241-W283 HydrophobicContact CB-CD2 4.09Å; A241-W283 HydrophobicContact CB-CG 4.07Å; A241-W283 HydrophobicContact CB-CZ2 4.35Å; A241-N538 HydrophobicContact CB-CB 3.94Å; A241-N538 WeakPolarHBondContact CB-O 3.18Å; A241-N538 PolarHBondContact O-ND2 3.47Å
242	P	76.7	Confident	84.8	Confident	72 Å²	72	35.6 Å²	35.6	47%	0.468	20%	0.202	S	C	.	.	S	Bend	trans	-65.7	-21.7	-165.5	22.5	-32.6	0	0	0	113.7	M285	P242-M285 HydrophobicContact CB-CE 4.14Å; P242-M285 HydrophobicContact CG-CE 3.61Å; P242-M285 HydrophobicContact CG-CG 4.06Å; P242-M285 HydrophobicContact CG-SD 3.47Å; P242-M285 WeakPolarHBondContact CG-SD 2.97Å
243	F	83.3	Confident	85.4	Confident	46 Å²	46	35.5 Å²	35.5	20%	0.202	20%	0.198	C	C	.	.	S	Bend	trans	-160	160.8	174.6	49.9	-91.1	0	0	0	110	A241 V245 I272 M285	A241-F243 PolarHBondContact O-N 3Å; A241-F243 VanDerWaalsContact O-N 3.08Å; F243-V245 HydrophobicContact CD2-CG1 3.87Å; F243-V245 HydrophobicContact CE2-CG1 3.71Å; F243-I272 HydrophobicContact CE2-CD1 3.71Å; F243-I272 HydrophobicContact CE2-CG1 3.97Å; F243-I272 HydrophobicContact CE2-CG2 3.91Å; F243-I272 HydrophobicContact CZ-CD1 4.23Å; F243-I272 HydrophobicContact CZ-CG1 3.97Å; F243-I272 HydrophobicContact CZ-CG2 3.77Å; F243-M285 HydrophobicContact CE1-CE 4.49Å; F243-M285 HydrophobicContact CE1-SD 4.02Å; F243-M285 HydrophobicContact CZ-SD 4.4Å
244	G	89.1	Confident	86.1	Confident	9 Å²	9	37 Å²	37	9%	0.093	22%	0.223	C	C	.	.			trans	-79.4	149.1	177	0	0	0	0	0	113.1	M537	G244-M537 WeakPolarHBondContact CA-O 3.34Å
245	V	93.4	Very high	86.6	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.024	23%	0.232	C	C	.	.			trans	-139	148.5	177.7	-66.4	0	0	0	0	111.1	F243 Q248 Y263 I272 M274 G531 M537	F243-V245 HydrophobicContact CD2-CG1 3.87Å; F243-V245 HydrophobicContact CE2-CG1 3.71Å; V245-Q248 HydrophobicContact CG2-CB 4.21Å; V245-Q248 HydrophobicContact CG2-CG 3.98Å; V245-Q248 PolarHBondContact O-OE1 3.2Å; V245-Y263 WeakPolarHBondContact CA-O 3.47Å; V245-I272 HydrophobicContact CG1-CD1 4.09Å; V245-M274 HydrophobicContact CG1-CE 4.28Å; V245-M274 HydrophobicContact CG2-CE 3.77Å; V245-G531 PolarHBondContact O-N 3.28Å; V245-M537 PolarHBondContact N-O 3.46Å
246	A	92.5	Very high	87.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-132.8	153	173	0	0	0	0	0	111.5	Q248 G262 Y263 F532 L536 Y749	A246-Q248 PolarHBondContact O-N 3.48Å; A246-Q248 VanDerWaalsContact O-N 3.15Å; A246-G262 CarbonylContact O-C 3.46Å; A246-G262 WeakPolarHBondContact O-CA 3Å; A246-Y263 PolarHBondContact N-O 3.39Å; A246-Y263 VanDerWaalsContact N-O 3.16Å; A246-Y263 PolarHBondContact O-N 3.14Å; A246-F532 HydrophobicContact CB-CB 3.88Å; A246-L536 HydrophobicContact CB-CD2 3.72Å; A246-Y749 HydrophobicContact CB-CD1 4.38Å; A246-Y749 HydrophobicContact CB-CE1 3.67Å; A246-Y749 HydrophobicContact CB-CE2 4.43Å
247	S	94.3	Very high	88.2	Confident	17 Å²	17	31.2 Å²	31.2	12%	0.119	20%	0.199	C	C	.	.	S	Bend	trans	53.2	28.7	-173.5	-74.8	0	0	0	0	114.3	G297 G516 Y749	S247-G297 PolarHBondContact O-N 3.3Å; S247-G516 PolarHBondContact N-O 3.01Å; S247-Y749 WeakPolarHBondContact CB-OH 3.45Å; S247-Y749 PolarHBondContact OG-OH 3.04Å
248	Q	95.8	Very high	88.9	Confident	9 Å²	9	30.8 Å²	30.8	4%	0.042	20%	0.196	C	C	.	.			trans	-71	152.3	165.7	72.8	-75.5	1.9	0	0	110.4	V245 A246 V250 S259 G261 F529	V245-Q248 HydrophobicContact CG2-CB 4.21Å; V245-Q248 HydrophobicContact CG2-CG 3.98Å; V245-Q248 PolarHBondContact O-OE1 3.2Å; A246-Q248 PolarHBondContact O-N 3.48Å; A246-Q248 VanDerWaalsContact O-N 3.15Å; Q248-V250 HydrophobicContact CG-CG2 3.93Å; Q248-S259 WeakPolarHBondContact CG-OG 3.12Å; Q248-G261 WeakPolarHBondContact CB-O 3.49Å; Q248-F529 PolarHBondContact NE2-O 3.18Å
249	A	97.9	Very high	90.2	Very high	8 Å²	8	28 Å²	28	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	169.8	0	0	0	0	0	109.3	S259 I260 H298 L300	A249-S259 WeakPolarHBondContact O-CA 3.48Å; A249-I260 PolarHBondContact N-O 2.97Å; A249-I260 PolarHBondContact O-N 2.92Å; A249-H298 WeakPolarHBondContact CB-NE2 3.35Å; A249-L300 HydrophobicContact CB-CB 3.42Å; A249-L300 VanDerWaalsContact CB-CB 3.42Å; A249-L300 HydrophobicContact CB-CD2 4.21Å; A249-L300 HydrophobicContact CB-CG 4.44Å
250	V	97.4	Very high	91.8	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.1	178.9	-172.1	0	0	0	0	109.4	Q248 A257 W258 R518 V520 F529	Q248-V250 HydrophobicContact CG-CG2 3.93Å; V250-A257 HydrophobicContact CG1-CB 3.93Å; V250-W258 VanDerWaalsContact CA-O 3.26Å; V250-W258 WeakPolarHBondContact CA-O 3.41Å; V250-R518 HydrophobicContact CB-CB 4.16Å; V250-R518 HydrophobicContact CB-CG 3.66Å; V250-R518 HydrophobicContact CG2-CB 3.68Å; V250-R518 HydrophobicContact CG2-CG 3.75Å; V250-V520 HydrophobicContact CB-CG1 4.04Å; V250-V520 HydrophobicContact CG1-CG1 3.8Å; V250-F529 HydrophobicContact CG1-CD2 4.01Å; V250-F529 HydrophobicContact CG1-CE2 4.2Å; V250-F529 HydrophobicContact CG1-CG 4.49Å; V250-F529 HydrophobicContact CG2-CB 4.16Å; V250-F529 HydrophobicContact CG2-CD2 4.45Å; V250-F529 HydrophobicContact CG2-CG 4.4Å
251	C	97.4	Very high	93.2	Very high	17 Å²	17	19.7 Å²	19.7	12%	0.115	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.6	177.9	-167.6	0	0	0	0	110.2	W258 L300 L307	C251-W258 PolarHBondContact N-O 2.68Å; C251-W258 PolarHBondContact O-N 2.98Å; C251-L300 HydrophobicContact CB-CD2 3.54Å; C251-L300 HydrophobicContact CB-CG 3.87Å; C251-L307 HydrophobicContact CB-CD2 3.87Å
252	V	97.1	Very high	94	Very high	42 Å²	42	19.5 Å²	19.5	26%	0.255	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128	178.3	177	0	0	0	0	108.9	S256 F278 V520	V252-S256 WeakPolarHBondContact CA-O 3.46Å; V252-F278 HydrophobicContact CG1-CE2 4.16Å; V252-F278 HydrophobicContact CG2-CE2 4.45Å; V252-F278 HydrophobicContact CG2-CZ 4.31Å; V252-V520 HydrophobicContact CG2-CB 3.76Å; V252-V520 HydrophobicContact CG2-CG1 4.25Å; V252-V520 HydrophobicContact CG2-CG2 3.71Å
253	V	96.6	Very high	94.8	Very high	29 Å²	29	17 Å²	17	18%	0.176	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.3	175.6	-171.1	0	0	0	0	108.7	N255 S256 E302 L307 L328	V253-N255 PolarHBondContact O-N 2.71Å; V253-N255 VanDerWaalsContact O-N 3.14Å; V253-S256 PolarHBondContact N-O 3.01Å; V253-S256 PolarHBondContact O-N 2.93Å; V253-E302 HydrophobicContact CG1-CG 4.26Å; V253-E302 HydrophobicContact CG2-CB 4.3Å; V253-E302 HydrophobicContact CG2-CG 3.87Å; V253-L307 HydrophobicContact CG2-CD2 3.64Å; V253-L307 HydrophobicContact CG2-CG 4.33Å; V253-L328 HydrophobicContact CB-CD1 4.19Å; V253-L328 HydrophobicContact CG1-CD1 3.73Å; V253-L328 HydrophobicContact CG2-CD1 4.04Å
254	G	93.7	Very high	95.1	Very high	66 Å²	66	15.6 Å²	15.6	68%	0.68	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	-115	-173.6	0	0	0	0	0	111
255	N	93.8	Very high	95.1	Very high	50 Å²	50	16.5 Å²	16.5	27%	0.267	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	28.6	-178	-164.2	45.7	0	0	0	113.3	V253 F278 N279 H522	V253-N255 PolarHBondContact O-N 2.71Å; V253-N255 VanDerWaalsContact O-N 3.14Å; N255-F278 VanDerWaalsContact C-CD2 3.48Å; N255-F278 WeakPolarHBondContact O-CD2 3.38Å; N255-F278 PolarHBondContact O-N 3.48Å; N255-N279 PolarHBondContact ND2-ND2 3.04Å; N255-N279 PolarHBondContact ND2-OD1 3.32Å; N255-H522 PolarHBondContact OD1-CE1 2.97Å; N255-H522 PolarHBondContact OD1-NE2 2.79Å
256	S	95.6	Very high	94.5	Very high	14 Å²	14	18.3 Å²	18.3	10%	0.098	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.5	174.5	-53.9	0	0	0	0	111	V252 V253 Q275 Y276 H277	V252-S256 WeakPolarHBondContact CA-O 3.46Å; V253-S256 PolarHBondContact N-O 3.01Å; V253-S256 PolarHBondContact O-N 2.93Å; S256-Q275 PolarHBondContact OG-NE2 2.79Å; S256-Y276 CarbonylContact C-O 3.53Å; S256-Y276 WeakPolarHBondContact CA-O 3.43Å; S256-Y276 WeakPolarHBondContact CB-O 3.39Å; S256-H277 PolarHBondContact OG-ND1 2.69Å
257	A	96.2	Very high	93.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.5	165.9	0	0	0	0	0	110	V250 Q275 Y276 F278 F529	V250-A257 HydrophobicContact CG1-CB 3.93Å; A257-Q275 WeakPolarHBondContact O-CA 3.14Å; A257-Y276 PolarHBondContact N-O 2.83Å; A257-Y276 PolarHBondContact O-N 3.15Å; A257-F278 HydrophobicContact CB-CE1 4.38Å; A257-F278 HydrophobicContact CB-CE2 4.16Å; A257-F278 HydrophobicContact CB-CZ 3.65Å; A257-F529 HydrophobicContact CB-CE1 4.46Å; A257-F529 HydrophobicContact CB-CE2 4.13Å; A257-F529 HydrophobicContact CB-CZ 3.76Å
258	W	97.2	Very high	93.2	Very high	15 Å²	15	24.7 Å²	24.7	6%	0.057	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.6	176.8	-70.9	80.3	0	0	0	109.4	V250 C251 I260 V273 Q275 P286 L307 L328 L331	V250-W258 VanDerWaalsContact CA-O 3.26Å; V250-W258 WeakPolarHBondContact CA-O 3.41Å; C251-W258 PolarHBondContact N-O 2.68Å; C251-W258 PolarHBondContact O-N 2.98Å; W258-I260 HydrophobicContact CE3-CD1 4.46Å; W258-V273 HydrophobicContact CE3-CG1 4.01Å; W258-V273 HydrophobicContact CZ3-CG1 3.87Å; W258-Q275 HydrophobicContact CD2-CB 4.33Å; W258-Q275 HydrophobicContact CD2-CG 4.32Å; W258-Q275 HydrophobicContact CE3-CB 4.3Å; W258-Q275 HydrophobicContact CH2-CB 4.43Å; W258-Q275 HydrophobicContact CZ2-CB 4.44Å; W258-Q275 HydrophobicContact CZ2-CG 4.08Å; W258-Q275 HydrophobicContact CZ3-CB 4.37Å; W258-P286 HydrophobicContact CH2-CG 4.02Å; W258-P286 HydrophobicContact CZ3-CG 3.64Å; W258-L307 HydrophobicContact CB-CD1 3.67Å; W258-L307 HydrophobicContact CD2-CD1 4.18Å; W258-L307 HydrophobicContact CE3-CD1 4.44Å; W258-L307 HydrophobicContact CG-CD1 3.84Å; W258-L328 HydrophobicContact CD2-CD2 4.16Å; W258-L328 HydrophobicContact CE3-CD2 4.23Å; W258-L328 HydrophobicContact CH2-CD2 3.9Å; W258-L328 HydrophobicContact CZ2-CD2 3.81Å; W258-L328 HydrophobicContact CZ3-CD2 4.1Å; W258-L331 HydrophobicContact CH2-CD2 4.01Å; W258-L331 HydrophobicContact CZ3-CD2 4.44Å
259	S	96.3	Very high	92.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.4	174	172.8	0	0	0	0	109.4	Q248 A249 M274	Q248-S259 WeakPolarHBondContact CG-OG 3.12Å; A249-S259 WeakPolarHBondContact O-CA 3.48Å; S259-M274 PolarHBondContact N-O 2.94Å; S259-M274 PolarHBondContact O-N 2.69Å
260	I	97.6	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.8	-174.6	-54.4	-60.3	0	0	0	110.1	A249 W258 I271 I272 V273 H298 L300 L307 M309 W333	A249-I260 PolarHBondContact N-O 2.97Å; A249-I260 PolarHBondContact O-N 2.92Å; W258-I260 HydrophobicContact CE3-CD1 4.46Å; I260-I271 HydrophobicContact CG2-CD1 3.57Å; I260-I271 HydrophobicContact CG2-CG1 4.08Å; I260-I272 CarbonylContact C-O 3.57Å; I260-I272 WeakPolarHBondContact CA-O 3.1Å; I260-V273 HydrophobicContact CD1-CB 4.24Å; I260-V273 HydrophobicContact CD1-CG1 3.73Å; I260-V273 HydrophobicContact CD1-CG2 4.12Å; I260-H298 PolarHBondContact O-CE1 3.12Å; I260-H298 PolarHBondContact O-NE2 3Å; I260-H298 VanDerWaalsContact O-NE2 3.1Å; I260-L300 HydrophobicContact CB-CD1 4.42Å; I260-L300 HydrophobicContact CB-CD2 3.98Å; I260-L300 HydrophobicContact CG1-CD1 4.1Å; I260-L300 HydrophobicContact CG1-CD2 3.55Å; I260-L300 HydrophobicContact CG1-CG 4.5Å; I260-L307 HydrophobicContact CD1-CD1 4.5Å; I260-L307 HydrophobicContact CG1-CD1 4.39Å; I260-M309 HydrophobicContact CG2-SD 4.04Å; I260-W333 HydrophobicContact CG2-CH2 3.97Å; I260-W333 HydrophobicContact CG2-CZ2 4.25Å
261	G	96.4	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.			trans	57.4	-146.9	-179	0	0	0	0	0	113.4	Q248 I272 N294 R295	Q248-G261 WeakPolarHBondContact CB-O 3.49Å; G261-I272 PolarHBondContact N-O 2.92Å; G261-N294 WeakPolarHBondContact CA-OD1 3.43Å; G261-R295 WeakPolarHBondContact CA-O 3.09Å
262	G	95.2	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.194	C	C	.	.			trans	112.8	160.6	-174.3	0	0	0	0	0	112.5	A246 N294 R295	A246-G262 CarbonylContact O-C 3.46Å; A246-G262 WeakPolarHBondContact O-CA 3Å; G262-N294 PolarHBondContact O-ND2 2.88Å; G262-R295 PolarHBondContact N-O 3.4Å
263	Y	92.9	Very high	92.2	Very high	19 Å²	19	32.2 Å²	32.2	8%	0.075	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-80.2	138.5	172.7	-178.2	-103.7	0	0	0	109.6	V245 A246 F265 Y296 M316 L536 Y749 Q751	V245-Y263 WeakPolarHBondContact CA-O 3.47Å; A246-Y263 PolarHBondContact N-O 3.39Å; A246-Y263 VanDerWaalsContact N-O 3.16Å; A246-Y263 PolarHBondContact O-N 3.14Å; Y263-F265 AromaticContact CE1-CD1 3.95Å; Y263-F265 HydrophobicContact CE1-CD1 3.95Å; Y263-F265 HydrophobicContact CE1-CE1 4.1Å; Y263-Y296 HydrophobicContact CD2-CD1 4.29Å; Y263-Y296 HydrophobicContact CD2-CE1 4.05Å; Y263-M316 HydrophobicContact CD2-SD 3.85Å; Y263-M316 HydrophobicContact CE2-CE 4.42Å; Y263-M316 HydrophobicContact CE2-SD 3.55Å; Y263-M316 VanDerWaalsContact CE2-SD 3.55Å; Y263-L536 HydrophobicContact CD1-CD2 4.19Å; Y263-L536 WeakPolarHBondContact O-CD2 3.44Å; Y263-Y749 HydrophobicContact CD1-CD1 4.49Å; Y263-Y749 AromaticContact CD1-CD2 3.45Å; Y263-Y749 HydrophobicContact CD1-CD2 3.45Å; Y263-Y749 VanDerWaalsContact CD1-CD2 3.45Å; Y263-Y749 HydrophobicContact CD1-CE2 4.31Å; Y263-Y749 AromaticContact CD1-CG 3.58Å; Y263-Y749 HydrophobicContact CD1-CG 3.58Å; Y263-Y749 HydrophobicContact CD2-CD2 4.4Å; Y263-Y749 HydrophobicContact CE1-CD2 4.13Å; Y263-Y749 AromaticContact CE1-CG 3.97Å; Y263-Y749 HydrophobicContact CE1-CG 3.97Å; Y263-Y749 AromaticContact CG-CD2 3.62Å; Y263-Y749 HydrophobicContact CG-CD2 3.62Å; Y263-Y749 HydrophobicContact CG-CE2 4.24Å; Y263-Y749 HydrophobicContact CG-CG 4.23Å; Y263-Q751 HydrophobicContact CD2-CG 4.37Å; Y263-Q751 HydrophobicContact CE1-CG 4.23Å; Y263-Q751 HydrophobicContact CE2-CG 3.55Å; Y263-Q751 VanDerWaalsContact CZ-CG 3.46Å; Y263-Q751 WeakPolarHBondContact OH-CG 3.34Å
264	T	91.7	Very high	92.1	Very high	18 Å²	18	31 Å²	31	11%	0.11	18%	0.176	C	C	.	.			trans	-144.2	156.9	171.9	-178.2	0	0	0	0	109.7	S266 K268 I272 L536	T264-S266 WeakPolarHBondContact CG2-O 3.22Å; T264-K268 HydrophobicContact CG2-CG 3.88Å; T264-I272 HydrophobicContact CG2-CD1 4Å; T264-L536 VanDerWaalsContact CA-CD1 3.47Å
265	F	87.7	Confident	92.2	Very high	27 Å²	27	29.4 Å²	29.4	12%	0.118	15%	0.151	C	C	.	.	S	Bend	trans	-71.9	-36.6	-179.8	-70.4	-34.6	0	0	0	112.7	R120 V121 Y263 F532 L536	R120-F265 HydrophobicContact CB-CB 4.02Å; R120-F265 HydrophobicContact CB-CD1 4.19Å; R120-F265 HydrophobicContact CB-CD2 4.39Å; R120-F265 HydrophobicContact CB-CG 3.97Å; R120-F265 HydrophobicContact CG-CD1 4.28Å; R120-F265 HydrophobicContact CG-CE1 4.4Å; R120-F265 HydrophobicContact CG-CG 4.36Å; R120-F265 VanDerWaalsContact O-CB 3.23Å; R120-F265 WeakPolarHBondContact O-CB 3.22Å; R120-F265 WeakPolarHBondContact O-CD2 3.34Å; R120-F265 WeakPolarHBondContact O-CG 3.36Å; V121-F265 VanDerWaalsContact O-CE2 3.26Å; V121-F265 WeakPolarHBondContact O-CE2 3.28Å; Y263-F265 AromaticContact CE1-CD1 3.95Å; Y263-F265 HydrophobicContact CE1-CD1 3.95Å; Y263-F265 HydrophobicContact CE1-CE1 4.1Å; F265-F532 HydrophobicContact CE1-CE2 4.01Å; F265-F532 AromaticContact CZ-CE2 3.63Å; F265-F532 HydrophobicContact CZ-CE2 3.63Å; F265-F532 HydrophobicContact CZ-CZ 4.3Å; F265-L536 HydrophobicContact CB-CD1 4.17Å; F265-L536 HydrophobicContact CD1-CD1 4.05Å; F265-L536 HydrophobicContact CD2-CD1 3.7Å; F265-L536 HydrophobicContact CD2-CG 4.45Å; F265-L536 HydrophobicContact CE1-CD1 4.4Å; F265-L536 HydrophobicContact CE2-CD1 4.08Å; F265-L536 HydrophobicContact CE2-CG 4.35Å; F265-L536 HydrophobicContact CG-CD1 3.68Å; F265-L536 HydrophobicContact CZ-CD1 4.44Å; F265-L536 VanDerWaalsContact N-CD1 3.26Å
266	S	80.4	Confident	92.2	Very high	43 Å²	43	27 Å²	27	30%	0.301	14%	0.139	S	C	.	.	S	Bend	trans	-81	121.1	174.8	-60.1	0	0	0	0	109.3	T264 K268	T264-S266 WeakPolarHBondContact CG2-O 3.22Å; S266-K268 PolarHBondContact O-N 2.93Å
267	P	75.2	Confident	92.2	Very high	61 Å²	61	28.6 Å²	28.6	40%	0.396	14%	0.144	S	C	.	.			trans	-58.8	119.1	-179.8	22.6	-30.8	0	0	0	110.1	N813	P267-N813 WeakPolarHBondContact CB-O 3.33Å; P267-N813 WeakPolarHBondContact CG-O 3.42Å
268	K	85.1	Confident	92	Very high	89 Å²	89	29.1 Å²	29.1	39%	0.387	15%	0.147	S	C	.	.			trans	-104.1	120.1	171.9	-64.7	-61.7	-176.3	-176.6	0	108.3	T264 S266 I272 N294	T264-K268 HydrophobicContact CG2-CG 3.88Å; S266-K268 PolarHBondContact O-N 2.93Å; K268-I272 HydrophobicContact CB-CD1 4.47Å; K268-I272 HydrophobicContact CB-CG1 4.35Å; K268-I272 HydrophobicContact CG-CD1 4.16Å; K268-I272 HydrophobicContact CG-CG1 4.17Å; K268-N294 HydrophobicContact CB-CB 4.28Å; K268-N294 WeakPolarHBondContact O-CB 3.34Å
269	R	85.7	Confident	91.7	Very high	145 Å²	145	34.9 Å²	34.9	55%	0.547	18%	0.179	S	C	.	.	S	Bend	trans	-69.6	-55	178.5	-172.3	173	178.6	172.6	-1.9	110.8	L293 N294 E811	R269-L293 HydrophobicContact CG-CD2 3.91Å; R269-L293 CarbonylContact O-C 3.38Å; R269-L293 VanDerWaalsContact O-CA 3.24Å; R269-L293 WeakPolarHBondContact O-CA 3.34Å; R269-L293 WeakPolarHBondContact O-CD2 3.41Å; R269-N294 PolarHBondContact O-N 2.89Å; R269-E811 PolarHBondContact NH1-O 3.1Å
270	S	92.2	Very high	91.3	Very high	68 Å²	68	39.8 Å²	39.8	48%	0.476	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-82.9	148.5	176.5	-57.1	0	0	0	0	111.7	I272	S270-I272 PolarHBondContact O-N 3.14Å
271	I	95.4	Very high	90.9	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.051	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-56.8	136.2	177.5	-163.7	161.9	0	0	0	112	I260 V273 A291 P292 R295 M309 W333	I260-I271 HydrophobicContact CG2-CD1 3.57Å; I260-I271 HydrophobicContact CG2-CG1 4.08Å; I271-V273 HydrophobicContact CG2-CG2 4.13Å; I271-A291 HydrophobicContact CG2-CB 4.37Å; I271-P292 HydrophobicContact CB-CG 4.23Å; I271-P292 HydrophobicContact CD1-CG 4.36Å; I271-P292 HydrophobicContact CG2-CG 3.82Å; I271-P292 PolarHBondContact N-O 2.01Å; I271-R295 HydrophobicContact CD1-CG 4.08Å; I271-M309 HydrophobicContact CD1-CE 3.61Å; I271-M309 HydrophobicContact CD1-SD 3.38Å; I271-M309 WeakPolarHBondContact CD1-SD 3.47Å; I271-W333 HydrophobicContact CG2-CZ2 4.05Å
272	I	95	Very high	90.6	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-72.3	129.3	176.3	-63.6	153.3	0	0	0	108.5	F243 V245 I260 G261 T264 K268 S270 M274 N294	F243-I272 HydrophobicContact CE2-CD1 3.71Å; F243-I272 HydrophobicContact CE2-CG1 3.97Å; F243-I272 HydrophobicContact CE2-CG2 3.91Å; F243-I272 HydrophobicContact CZ-CD1 4.23Å; F243-I272 HydrophobicContact CZ-CG1 3.97Å; F243-I272 HydrophobicContact CZ-CG2 3.77Å; V245-I272 HydrophobicContact CG1-CD1 4.09Å; I260-I272 CarbonylContact C-O 3.57Å; I260-I272 WeakPolarHBondContact CA-O 3.1Å; G261-I272 PolarHBondContact N-O 2.92Å; T264-I272 HydrophobicContact CG2-CD1 4Å; K268-I272 HydrophobicContact CB-CD1 4.47Å; K268-I272 HydrophobicContact CB-CG1 4.35Å; K268-I272 HydrophobicContact CG-CD1 4.16Å; K268-I272 HydrophobicContact CG-CG1 4.17Å; S270-I272 PolarHBondContact O-N 3.14Å; I272-M274 HydrophobicContact CG2-CE 4.24Å; I272-M274 HydrophobicContact CG2-CG 3.82Å; I272-M274 HydrophobicContact CG2-SD 4.16Å; I272-N294 PolarHBondContact N-OD1 3.44Å
273	V	96.4	Very high	90.5	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	112	175.7	-176.6	0	0	0	0	108	W258 I260 I271 P286 T288 W333	W258-V273 HydrophobicContact CE3-CG1 4.01Å; W258-V273 HydrophobicContact CZ3-CG1 3.87Å; I260-V273 HydrophobicContact CD1-CB 4.24Å; I260-V273 HydrophobicContact CD1-CG1 3.73Å; I260-V273 HydrophobicContact CD1-CG2 4.12Å; I271-V273 HydrophobicContact CG2-CG2 4.13Å; V273-P286 HydrophobicContact CG1-CG 3.82Å; V273-T288 HydrophobicContact CB-CG2 4.37Å; V273-T288 HydrophobicContact CG1-CG2 4.17Å; V273-T288 HydrophobicContact CG2-CG2 4.03Å; V273-W333 HydrophobicContact CG2-CZ2 4.25Å
274	M	94.7	Very high	90.4	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.8	177.5	-55.8	-175.4	-63	0	0	109.6	V245 S259 I272 W283 M285	V245-M274 HydrophobicContact CG1-CE 4.28Å; V245-M274 HydrophobicContact CG2-CE 3.77Å; S259-M274 PolarHBondContact N-O 2.94Å; S259-M274 PolarHBondContact O-N 2.69Å; I272-M274 HydrophobicContact CG2-CE 4.24Å; I272-M274 HydrophobicContact CG2-CG 3.82Å; I272-M274 HydrophobicContact CG2-SD 4.16Å; M274-W283 HydrophobicContact CB-CE3 3.78Å; M274-W283 HydrophobicContact CB-CZ3 3.63Å; M274-W283 HydrophobicContact CE-CZ3 4.39Å; M274-M285 HydrophobicContact CG-CG 4.12Å; M274-M285 HydrophobicContact CG-SD 4.32Å
275	Q	94.8	Very high	90.5	Very high	33 Å²	33	51.6 Å²	51.6	15%	0.154	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.4	176.6	-179.8	-175.6	15.6	0	0	108.8	S256 A257 W258 H277 W283 T284	S256-Q275 PolarHBondContact OG-NE2 2.79Å; A257-Q275 WeakPolarHBondContact O-CA 3.14Å; W258-Q275 HydrophobicContact CD2-CB 4.33Å; W258-Q275 HydrophobicContact CD2-CG 4.32Å; W258-Q275 HydrophobicContact CE3-CB 4.3Å; W258-Q275 HydrophobicContact CH2-CB 4.43Å; W258-Q275 HydrophobicContact CZ2-CB 4.44Å; W258-Q275 HydrophobicContact CZ2-CG 4.08Å; W258-Q275 HydrophobicContact CZ3-CB 4.37Å; Q275-H277 PolarHBondContact NE2-CE1 3.02Å; Q275-H277 VanDerWaalsContact NE2-CE1 3.29Å; Q275-W283 CarbonylContact O-C 2.99Å; Q275-W283 WeakPolarHBondContact O-CA 3.36Å; Q275-T284 PolarHBondContact N-O 3.22Å; Q275-T284 PolarHBondContact O-N 2.87Å; Q275-T284 PolarHBondContact O-OG1 3.38Å; Q275-T284 PolarHBondContact OE1-OG1 3.19Å
276	Y	95.2	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.1	173.3	-175.6	-101	0	0	0	109.9	L237 S256 A257 F278 N281 S282 W283 Y527 F529 V540	L237-Y276 VanDerWaalsContact CD1-OH 3.27Å; L237-Y276 WeakPolarHBondContact CD1-OH 3.47Å; S256-Y276 CarbonylContact C-O 3.53Å; S256-Y276 WeakPolarHBondContact CA-O 3.43Å; S256-Y276 WeakPolarHBondContact CB-O 3.39Å; A257-Y276 PolarHBondContact N-O 2.83Å; A257-Y276 PolarHBondContact O-N 3.15Å; Y276-F278 AromaticContact CD1-CD1 3.76Å; Y276-F278 HydrophobicContact CD1-CD1 3.76Å; Y276-F278 AromaticContact CD1-CE1 3.85Å; Y276-F278 HydrophobicContact CD1-CE1 3.85Å; Y276-F278 HydrophobicContact CD1-CG 4.47Å; Y276-F278 AromaticContact CE1-CD1 3.66Å; Y276-F278 HydrophobicContact CE1-CD1 3.66Å; Y276-F278 HydrophobicContact CE1-CE1 4.04Å; Y276-N281 VanDerWaalsContact OH-CA 3.3Å; Y276-N281 WeakPolarHBondContact OH-CA 3.34Å; Y276-N281 VanDerWaalsContact OH-CB 3.28Å; Y276-N281 WeakPolarHBondContact OH-CB 3.39Å; Y276-N281 PolarHBondContact OH-OD1 3.13Å; Y276-S282 WeakPolarHBondContact CA-O 3.3Å; Y276-W283 AromaticContact CD2-CD2 3.79Å; Y276-W283 HydrophobicContact CD2-CD2 3.79Å; Y276-W283 AromaticContact CD2-CE2 3.53Å; Y276-W283 HydrophobicContact CD2-CE3 4.33Å; Y276-W283 HydrophobicContact CD2-CG 4.16Å; Y276-W283 HydrophobicContact CD2-CH2 4.48Å; Y276-W283 AromaticContact CD2-CZ2 3.94Å; Y276-W283 HydrophobicContact CD2-CZ2 3.94Å; Y276-W283 AromaticContact CD2-NE1 3.66Å; Y276-W283 AromaticContact CE2-NE1 3.98Å; Y276-W283 HydrophobicContact CG-CZ2 4.43Å; Y276-Y527 HydrophobicContact CE1-CD1 4.38Å; Y276-Y527 HydrophobicContact CE1-CE1 4.29Å; Y276-F529 AromaticContact CD1-CE1 3.93Å; Y276-F529 HydrophobicContact CD1-CE1 3.93Å; Y276-F529 AromaticContact CD1-CZ 3.93Å; Y276-F529 HydrophobicContact CD1-CZ 3.93Å; Y276-F529 HydrophobicContact CD2-CE1 4.3Å; Y276-F529 AromaticContact CG-CE1 3.76Å; Y276-F529 HydrophobicContact CG-CE1 3.76Å; Y276-F529 HydrophobicContact CG-CZ 4.21Å; Y276-V540 HydrophobicContact CD2-CG2 4.2Å; Y276-V540 HydrophobicContact CE1-CG1 4.49Å; Y276-V540 HydrophobicContact CE2-CB 4.46Å; Y276-V540 HydrophobicContact CE2-CG2 3.95Å
277	H	94	Very high	91.4	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.8	-180	-64.5	-81.6	0	0	0	109.9	S256 Q275 N279 N280 N281 S282 T284	S256-H277 PolarHBondContact OG-ND1 2.69Å; Q275-H277 PolarHBondContact NE2-CE1 3.02Å; Q275-H277 VanDerWaalsContact NE2-CE1 3.29Å; H277-N279 VanDerWaalsContact C-N 3.32Å; H277-N279 PolarHBondContact O-N 2.99Å; H277-N280 WeakPolarHBondContact CB-OD1 3.33Å; H277-N280 PolarHBondContact O-OD1 2.8Å; H277-N281 WeakPolarHBondContact O-CA 3.48Å; H277-N281 PolarHBondContact O-N 3.13Å; H277-S282 PolarHBondContact N-O 2.9Å; H277-S282 PolarHBondContact O-N 2.9Å; H277-T284 PolarHBondContact NE2-OG1 3.07Å
278	F	93.4	Very high	92.4	Very high	13 Å²	13	59.2 Å²	59.2	6%	0.057	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-32	-176.2	-65.6	-63.5	0	0	0	113.2	V252 N255 A257 Y276 N280 N281 H522 Y527 F529	V252-F278 HydrophobicContact CG1-CE2 4.16Å; V252-F278 HydrophobicContact CG2-CE2 4.45Å; V252-F278 HydrophobicContact CG2-CZ 4.31Å; N255-F278 VanDerWaalsContact C-CD2 3.48Å; N255-F278 WeakPolarHBondContact O-CD2 3.38Å; N255-F278 PolarHBondContact O-N 3.48Å; A257-F278 HydrophobicContact CB-CE1 4.38Å; A257-F278 HydrophobicContact CB-CE2 4.16Å; A257-F278 HydrophobicContact CB-CZ 3.65Å; Y276-F278 AromaticContact CD1-CD1 3.76Å; Y276-F278 HydrophobicContact CD1-CD1 3.76Å; Y276-F278 AromaticContact CD1-CE1 3.85Å; Y276-F278 HydrophobicContact CD1-CE1 3.85Å; Y276-F278 HydrophobicContact CD1-CG 4.47Å; Y276-F278 AromaticContact CE1-CD1 3.66Å; Y276-F278 HydrophobicContact CE1-CD1 3.66Å; Y276-F278 HydrophobicContact CE1-CE1 4.04Å; F278-N280 PolarHBondContact O-N 2.77Å; F278-N281 PolarHBondContact O-OD1 2.93Å; F278-H522 HydrophobicContact CD2-CB 4.34Å; F278-H522 AromaticContact CD2-CD2 3.33Å; F278-H522 WeakPolarHBondContact CD2-CD2 3.38Å; F278-H522 AromaticContact CD2-CE1 3.99Å; F278-H522 AromaticContact CD2-CG 3.67Å; F278-H522 AromaticContact CD2-NE2 3.55Å; F278-H522 HydrophobicContact CE1-CB 4.21Å; F278-H522 HydrophobicContact CE2-CB 3.88Å; F278-H522 AromaticContact CE2-CD2 3.76Å; F278-H522 AromaticContact CE2-CG 3.58Å; F278-H522 AromaticContact CE2-ND1 3.96Å; F278-H522 AromaticContact CG-CD2 3.55Å; F278-H522 AromaticContact CG-NE2 4Å; F278-H522 HydrophobicContact CZ-CB 3.8Å; F278-Y527 HydrophobicContact CD1-CD1 4.03Å; F278-Y527 HydrophobicContact CD1-CD2 4.35Å; F278-Y527 AromaticContact CD1-CE1 3.57Å; F278-Y527 HydrophobicContact CD1-CE1 3.57Å; F278-Y527 AromaticContact CD1-CE2 3.95Å; F278-Y527 HydrophobicContact CD1-CE2 3.95Å; F278-Y527 HydrophobicContact CD1-CG 4.39Å; F278-Y527 AromaticContact CD1-CZ 3.52Å; F278-Y527 AromaticContact CE1-CD1 3.73Å; F278-Y527 HydrophobicContact CE1-CD1 3.73Å; F278-Y527 AromaticContact CE1-CD2 3.75Å; F278-Y527 HydrophobicContact CE1-CD2 3.75Å; F278-Y527 AromaticContact CE1-CE1 3.75Å; F278-Y527 HydrophobicContact CE1-CE1 3.75Å; F278-Y527 AromaticContact CE1-CE2 3.8Å; F278-Y527 HydrophobicContact CE1-CE2 3.8Å; F278-Y527 AromaticContact CE1-CG 3.72Å; F278-Y527 HydrophobicContact CE1-CG 3.72Å; F278-Y527 AromaticContact CE1-CZ 3.79Å; F278-Y527 HydrophobicContact CZ-CD2 4.48Å; F278-F529 HydrophobicContact CE1-CZ 4.35Å
279	N	90.7	Very high	93	Very high	136 Å²	136	59.5 Å²	59.5	73%	0.727	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-39.7	-177	-79.5	-8.9	0	0	0	114.3	N255 H277	N255-N279 PolarHBondContact ND2-ND2 3.04Å; N255-N279 PolarHBondContact ND2-OD1 3.32Å; H277-N279 VanDerWaalsContact C-N 3.32Å; H277-N279 PolarHBondContact O-N 2.99Å
280	N	88.2	Confident	93.5	Very high	104 Å²	104	58.3 Å²	58.3	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	5.5	-174	67.7	-3.7	0	0	0	112.9	H277 F278 S282	H277-N280 WeakPolarHBondContact CB-OD1 3.33Å; H277-N280 PolarHBondContact O-OD1 2.8Å; F278-N280 PolarHBondContact O-N 2.77Å; N280-S282 VanDerWaalsContact C-N 3.31Å; N280-S282 PolarHBondContact ND2-OG 2.93Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 WeakPolarHBondContact OD1-CB 3.48Å; N280-S282 PolarHBondContact OD1-N 3.22Å; N280-S282 PolarHBondContact OD1-OG 2.82Å
281	N	88.3	Confident	93.7	Very high	57 Å²	57	56.6 Å²	56.6	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	47.9	-178.7	-60.4	-51.9	0	0	0	113.2	N238 Y276 H277 F278	N238-N281 WeakPolarHBondContact CB-O 3.36Å; Y276-N281 VanDerWaalsContact OH-CA 3.3Å; Y276-N281 WeakPolarHBondContact OH-CA 3.34Å; Y276-N281 VanDerWaalsContact OH-CB 3.28Å; Y276-N281 WeakPolarHBondContact OH-CB 3.39Å; Y276-N281 PolarHBondContact OH-OD1 3.13Å; H277-N281 WeakPolarHBondContact O-CA 3.48Å; H277-N281 PolarHBondContact O-N 3.13Å; F278-N281 PolarHBondContact O-OD1 2.93Å
282	S	90.4	Very high	93.7	Very high	30 Å²	30	57 Å²	57	21%	0.21	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.8	-177.5	73	0	0	0	0	112.9	Y276 H277 N280	Y276-S282 WeakPolarHBondContact CA-O 3.3Å; H277-S282 PolarHBondContact N-O 2.9Å; H277-S282 PolarHBondContact O-N 2.9Å; N280-S282 VanDerWaalsContact C-N 3.31Å; N280-S282 PolarHBondContact ND2-OG 2.93Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 WeakPolarHBondContact OD1-CB 3.48Å; N280-S282 PolarHBondContact OD1-N 3.22Å; N280-S282 PolarHBondContact OD1-OG 2.82Å
283	W	92.2	Very high	93.7	Very high	38 Å²	38	59.9 Å²	59.9	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.6	176.4	-72.7	100.1	0	0	0	111.2	A241 M274 Q275 Y276 F529 V540	A241-W283 HydrophobicContact CB-CD2 4.09Å; A241-W283 HydrophobicContact CB-CG 4.07Å; A241-W283 HydrophobicContact CB-CZ2 4.35Å; M274-W283 HydrophobicContact CB-CE3 3.78Å; M274-W283 HydrophobicContact CB-CZ3 3.63Å; M274-W283 HydrophobicContact CE-CZ3 4.39Å; Q275-W283 CarbonylContact O-C 2.99Å; Q275-W283 WeakPolarHBondContact O-CA 3.36Å; Y276-W283 AromaticContact CD2-CD2 3.79Å; Y276-W283 HydrophobicContact CD2-CD2 3.79Å; Y276-W283 AromaticContact CD2-CE2 3.53Å; Y276-W283 HydrophobicContact CD2-CE3 4.33Å; Y276-W283 HydrophobicContact CD2-CG 4.16Å; Y276-W283 HydrophobicContact CD2-CH2 4.48Å; Y276-W283 AromaticContact CD2-CZ2 3.94Å; Y276-W283 HydrophobicContact CD2-CZ2 3.94Å; Y276-W283 AromaticContact CD2-NE1 3.66Å; Y276-W283 AromaticContact CE2-NE1 3.98Å; Y276-W283 HydrophobicContact CG-CZ2 4.43Å; W283-F529 AromaticContact CH2-CD1 3.55Å; W283-F529 HydrophobicContact CH2-CD1 3.55Å; W283-F529 AromaticContact CH2-CE1 3.81Å; W283-F529 HydrophobicContact CH2-CE1 3.81Å; W283-F529 AromaticContact CZ2-CD1 3.68Å; W283-F529 HydrophobicContact CZ2-CD1 3.68Å; W283-F529 AromaticContact CZ2-CE1 3.9Å; W283-F529 HydrophobicContact CZ2-CE1 3.9Å; W283-V540 HydrophobicContact CZ2-CG2 3.48Å; W283-V540 VanDerWaalsContact CZ2-CG2 3.48Å
284	T	92.6	Very high	93.6	Very high	56 Å²	56	60.4 Å²	60.4	34%	0.344	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.8	165.6	55	0	0	0	0	109.9	Q275 H277 P286	Q275-T284 PolarHBondContact N-O 3.22Å; Q275-T284 PolarHBondContact O-N 2.87Å; Q275-T284 PolarHBondContact O-OG1 3.38Å; Q275-T284 PolarHBondContact OE1-OG1 3.19Å; H277-T284 PolarHBondContact NE2-OG1 3.07Å; T284-P286 WeakPolarHBondContact O-CD 3.2Å
285	M	92.4	Very high	93.7	Very high	105 Å²	105	60.5 Å²	60.5	52%	0.517	31%	0.309	S	S	.	.			trans	-108.5	86.9	172.9	-72	-150.7	-66.1	0	0	110	P242 F243 M274 R287	P242-M285 HydrophobicContact CB-CE 4.14Å; P242-M285 HydrophobicContact CG-CE 3.61Å; P242-M285 HydrophobicContact CG-CG 4.06Å; P242-M285 HydrophobicContact CG-SD 3.47Å; P242-M285 WeakPolarHBondContact CG-SD 2.97Å; F243-M285 HydrophobicContact CE1-CE 4.49Å; F243-M285 HydrophobicContact CE1-SD 4.02Å; F243-M285 HydrophobicContact CZ-SD 4.4Å; M274-M285 HydrophobicContact CG-CG 4.12Å; M274-M285 HydrophobicContact CG-SD 4.32Å; M285-R287 PolarHBondContact O-N 3.02Å
286	P	93.9	Very high	93.7	Very high	29 Å²	29	59.5 Å²	59.5	19%	0.188	30%	0.304	C	S	.	.			trans	-65.9	136.5	178.5	27.1	-32.6	0	0	0	110.3	W258 V273 T284 L331	W258-P286 HydrophobicContact CH2-CG 4.02Å; W258-P286 HydrophobicContact CZ3-CG 3.64Å; V273-P286 HydrophobicContact CG1-CG 3.82Å; T284-P286 WeakPolarHBondContact O-CD 3.2Å; P286-L331 HydrophobicContact CB-CD1 4.11Å
287	R	93.8	Very high	93.7	Very high	233 Å²	233	60 Å²	60	88%	0.879	31%	0.308	S	S	*	.			trans	-77.4	127.2	170.4	-71.7	-171.1	-73.6	-99.9	2.2	109	M285	M285-R287 PolarHBondContact O-N 3.02Å
288	T	96.4	Very high	93.9	Very high	28 Å²	28	58.2 Å²	58.2	17%	0.172	30%	0.3	C	S	.	.			trans	-107.6	151.2	176.3	59.5	0	0	0	0	111.2	V273 L326 L331 W333	V273-T288 HydrophobicContact CB-CG2 4.37Å; V273-T288 HydrophobicContact CG1-CG2 4.17Å; V273-T288 HydrophobicContact CG2-CG2 4.03Å; T288-L326 HydrophobicContact CG2-CD1 4.04Å; T288-L326 HydrophobicContact CG2-CD2 4.49Å; T288-L331 CarbonylContact C-O 3.56Å; T288-L331 VanDerWaalsContact CA-O 3.25Å; T288-L331 WeakPolarHBondContact CA-O 3.31Å; T288-L331 WeakPolarHBondContact CB-O 3.23Å; T288-L331 HydrophobicContact CG2-CB 4.39Å; T288-W333 PolarHBondContact OG1-NE1 3.26Å
289	I	97.3	Very high	94.1	Very high	95 Å²	95	57.9 Å²	57.9	49%	0.487	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-93.4	144.6	177.9	-56.7	170.1	0	0	0	109.1	A291 L331 T332 W333	I289-A291 PolarHBondContact O-N 3.12Å; I289-L331 PolarHBondContact N-O 3.07Å; I289-T332 HydrophobicContact CB-CG2 4Å; I289-T332 HydrophobicContact CD1-CG2 4.06Å; I289-T332 HydrophobicContact CG2-CG2 4.43Å; I289-W333 PolarHBondContact O-N 3.22Å
290	D	96.3	Very high	94.5	Very high	121 Å²	121	52.3 Å²	52.3	65%	0.647	27%	0.27	S	S	*	.	S	Bend	trans	57.2	33.2	-179.1	-57.7	-36.1	0	0	0	114.2	W333	D290-W333 WeakPolarHBondContact O-CB 3.42Å
291	A	95.5	Very high	95	Very high	31 Å²	31	47.8 Å²	47.8	26%	0.256	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-55.9	125.5	-176.5	0	0	0	0	0	112	I271 I289	I271-A291 HydrophobicContact CG2-CB 4.37Å; I289-A291 PolarHBondContact O-N 3.12Å
292	P	96.5	Very high	95.4	Very high	20 Å²	20	48.4 Å²	48.4	13%	0.13	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.7	171.4	175.9	31.4	-38	0	0	0	111.3	I271 M309 L324 W333	I271-P292 HydrophobicContact CB-CG 4.23Å; I271-P292 HydrophobicContact CD1-CG 4.36Å; I271-P292 HydrophobicContact CG2-CG 3.82Å; I271-P292 PolarHBondContact N-O 2.01Å; P292-M309 HydrophobicContact CG-CE 4.03Å; P292-L324 HydrophobicContact CB-CD2 3.88Å; P292-L324 HydrophobicContact CG-CD2 4.01Å; P292-W333 HydrophobicContact CG-CD2 4.22Å; P292-W333 HydrophobicContact CG-CE3 4.35Å
293	L	94.5	Very high	95.7	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.366	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-60.7	144	172.8	-65.5	176.4	0	0	0	111.8	R269 R295 V314	R269-L293 HydrophobicContact CG-CD2 3.91Å; R269-L293 CarbonylContact O-C 3.38Å; R269-L293 VanDerWaalsContact O-CA 3.24Å; R269-L293 WeakPolarHBondContact O-CA 3.34Å; R269-L293 WeakPolarHBondContact O-CD2 3.41Å; L293-R295 PolarHBondContact O-NE 3.37Å; L293-V314 HydrophobicContact CB-CG1 3.62Å; L293-V314 HydrophobicContact CD1-CG1 3.61Å; L293-V314 HydrophobicContact CG-CG1 4.27Å
294	N	94.8	Very high	95.9	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.102	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.6	176.5	-166.4	46.6	0	0	0	111.7	G261 G262 K268 R269 I272	G261-N294 WeakPolarHBondContact CA-OD1 3.43Å; G262-N294 PolarHBondContact O-ND2 2.88Å; K268-N294 HydrophobicContact CB-CB 4.28Å; K268-N294 WeakPolarHBondContact O-CB 3.34Å; R269-N294 PolarHBondContact O-N 2.89Å; I272-N294 PolarHBondContact N-OD1 3.44Å
295	R	95.7	Very high	96	Very high	6 Å²	6	49.8 Å²	49.8	2%	0.023	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	163.4	-173	62.7	-174.2	72.4	-153.1	-0.6	112.1	G261 G262 I271 L293 H298 M309 G311 L313 V314 T320 D322	G261-R295 WeakPolarHBondContact CA-O 3.09Å; G262-R295 PolarHBondContact N-O 3.4Å; I271-R295 HydrophobicContact CD1-CG 4.08Å; L293-R295 PolarHBondContact O-NE 3.37Å; R295-H298 PolarHBondContact O-CE1 2.82Å; R295-M309 HydrophobicContact CG-SD 4.28Å; R295-G311 WeakPolarHBondContact CD-O 3.5Å; R295-G311 PolarHBondContact NH1-O 2.75Å; R295-G311 VanDerWaalsContact NH1-O 3.13Å; R295-L313 WeakPolarHBondContact CA-O 3.27Å; R295-L313 VanDerWaalsContact CB-O 3.23Å; R295-L313 WeakPolarHBondContact CB-O 3.44Å; R295-V314 HydrophobicContact CB-CG2 3.86Å; R295-T320 PolarHBondContact NH1-OG1 3.42Å; R295-D322 IonicContact CZ-OD2 3.99Å; R295-D322 VanDerWaalsContact CZ-OD2 3.27Å; R295-D322 IonicContact NH1-OD2 2.87Å; R295-D322 PolarHBondContact NH1-OD2 3.08Å; R295-D322 IonicContact NH2-OD2 3.39Å; R295-D322 PolarHBondContact NH2-OD2 3.39Å
296	Y	95.5	Very high	96.2	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165	174.8	66.8	-84.6	0	0	0	111.4	Y263 H298 G312 L313 M316 Y749 Q751	Y263-Y296 HydrophobicContact CD2-CD1 4.29Å; Y263-Y296 HydrophobicContact CD2-CE1 4.05Å; Y296-H298 PolarHBondContact O-N 2.83Å; Y296-G312 WeakPolarHBondContact O-CA 3.41Å; Y296-L313 HydrophobicContact CE1-CB 4.16Å; Y296-L313 HydrophobicContact CE1-CD2 3.7Å; Y296-L313 HydrophobicContact CE1-CG 4.35Å; Y296-L313 HydrophobicContact CE2-CD2 4.32Å; Y296-L313 VanDerWaalsContact CZ-CD2 3.44Å; Y296-L313 PolarHBondContact N-O 3.22Å; Y296-L313 PolarHBondContact O-N 3.36Å; Y296-L313 WeakPolarHBondContact OH-CD2 3.26Å; Y296-M316 HydrophobicContact CE1-CE 4.29Å; Y296-M316 HydrophobicContact CE1-SD 3.68Å; Y296-M316 WeakPolarHBondContact OH-CE 3.28Å; Y296-Y749 HydrophobicContact CD2-CE2 4.48Å; Y296-Y749 HydrophobicContact CE2-CE2 4.42Å; Y296-Q751 PolarHBondContact OH-NE2 3.33Å
297	G	95.4	Very high	96.5	Very high	9 Å²	9	44.4 Å²	44.4	9%	0.093	24%	0.244	C	C	.	.	S	Bend	trans	67	19.7	-176.4	0	0	0	0	0	114	S247 V350 G351	S247-G297 PolarHBondContact O-N 3.3Å; G297-V350 CarbonylContact O-C 3.43Å; G297-V350 WeakPolarHBondContact O-CA 3.08Å; G297-G351 PolarHBondContact O-N 3.37Å
298	H	98	Very high	96.7	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.046	21%	0.207	C	C	.	.			trans	-85.3	162.9	169.5	57.6	-82	0	0	0	110	A249 I260 R295 Y296 M309 F310 G311	A249-H298 WeakPolarHBondContact CB-NE2 3.35Å; I260-H298 PolarHBondContact O-CE1 3.12Å; I260-H298 PolarHBondContact O-NE2 3Å; I260-H298 VanDerWaalsContact O-NE2 3.1Å; R295-H298 PolarHBondContact O-CE1 2.82Å; Y296-H298 PolarHBondContact O-N 2.83Å; H298-M309 HydrophobicContact CB-CG 4.16Å; H298-M309 VanDerWaalsContact CD2-CG 3.5Å; H298-M309 WeakPolarHBondContact CD2-CG 3.49Å; H298-M309 VanDerWaalsContact CD2-SD 3.5Å; H298-F310 WeakPolarHBondContact CA-O 2.95Å; H298-F310 WeakPolarHBondContact CB-O 3.45Å; H298-G311 WeakPolarHBondContact CB-O 3.43Å
299	S	98	Very high	96.8	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	154	168.6	60.2	0	0	0	0	111.4	M309 F310 H352 A354	S299-M309 WeakPolarHBondContact O-CA 3.27Å; S299-F310 PolarHBondContact N-O 2.8Å; S299-F310 VanDerWaalsContact N-O 3.07Å; S299-F310 PolarHBondContact O-N 2.91Å; S299-H352 WeakPolarHBondContact CB-NE2 3.44Å; S299-H352 PolarHBondContact N-NE2 2.91Å; S299-H352 PolarHBondContact OG-CD2 2.96Å; S299-H352 VanDerWaalsContact OG-CD2 3.27Å; S299-H352 PolarHBondContact OG-NE2 2.88Å; S299-A354 WeakPolarHBondContact OG-CB 3.49Å
300	L	98.4	Very high	96.8	Very high	19 Å²	19	28.7 Å²	28.7	10%	0.099	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.9	179.8	-174.5	73.1	0	0	0	108.9	A249 C251 I260 L307 Y308 M309	A249-L300 HydrophobicContact CB-CB 3.42Å; A249-L300 VanDerWaalsContact CB-CB 3.42Å; A249-L300 HydrophobicContact CB-CD2 4.21Å; A249-L300 HydrophobicContact CB-CG 4.44Å; C251-L300 HydrophobicContact CB-CD2 3.54Å; C251-L300 HydrophobicContact CB-CG 3.87Å; I260-L300 HydrophobicContact CB-CD1 4.42Å; I260-L300 HydrophobicContact CB-CD2 3.98Å; I260-L300 HydrophobicContact CG1-CD1 4.1Å; I260-L300 HydrophobicContact CG1-CD2 3.55Å; I260-L300 HydrophobicContact CG1-CG 4.5Å; L300-L307 HydrophobicContact CD1-CB 3.99Å; L300-L307 HydrophobicContact CD1-CD1 4.47Å; L300-L307 HydrophobicContact CD2-CD1 4.46Å; L300-L307 HydrophobicContact CG-CD2 4.38Å; L300-Y308 WeakPolarHBondContact CA-O 3.42Å; L300-M309 HydrophobicContact CD1-CB 4.19Å
301	V	98.1	Very high	96.8	Very high	8 Å²	8	23 Å²	23	5%	0.048	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.1	177.2	-60.5	0	0	0	0	111.2	L307 Y308 A354 V356 M361 F382	V301-L307 CarbonylContact O-C 3.53Å; V301-L307 WeakPolarHBondContact O-CA 3.49Å; V301-Y308 PolarHBondContact N-O 3.14Å; V301-Y308 PolarHBondContact O-N 3.18Å; V301-A354 HydrophobicContact CG1-CB 3.95Å; V301-V356 HydrophobicContact CB-CG2 3.72Å; V301-V356 HydrophobicContact CG1-CG2 4.23Å; V301-V356 HydrophobicContact CG2-CG2 3.78Å; V301-M361 HydrophobicContact CG1-CE 4.14Å; V301-M361 HydrophobicContact CG2-CE 3.93Å; V301-M361 HydrophobicContact CG2-CG 4.1Å; V301-M361 HydrophobicContact CG2-SD 3.66Å; V301-F382 HydrophobicContact CG2-CZ 4.45Å
302	E	97.7	Very high	96.9	Very high	71 Å²	71	21.5 Å²	21.5	33%	0.332	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.8	171.9	-173.6	-77.3	135.5	0	0	109.3	V253 G304 G305 N306 L307	V253-E302 HydrophobicContact CG1-CG 4.26Å; V253-E302 HydrophobicContact CG2-CB 4.3Å; V253-E302 HydrophobicContact CG2-CG 3.87Å; E302-G304 PolarHBondContact OE1-N 3.12Å; E302-G305 VanDerWaalsContact OE1-CA 3.28Å; E302-G305 WeakPolarHBondContact OE1-CA 3.14Å; E302-G305 PolarHBondContact OE1-N 2.88Å; E302-N306 WeakPolarHBondContact CA-O 3.38Å; E302-L307 HydrophobicContact CB-CD2 4.24Å
303	Y	97.4	Very high	96.7	Very high	52 Å²	52	21.6 Å²	21.6	20%	0.204	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	126.1	169.7	-176.3	-95.1	0	0	0	110.4	G305 N306 Y308 V356 F382	Y303-G305 VanDerWaalsContact C-N 3.3Å; Y303-G305 PolarHBondContact O-N 2.04Å; Y303-N306 PolarHBondContact N-O 3.27Å; Y303-N306 PolarHBondContact O-N 3.36Å; Y303-Y308 HydrophobicContact CD1-CE2 4.47Å; Y303-V356 HydrophobicContact CD2-CG1 3.89Å; Y303-V356 HydrophobicContact CE2-CG1 4.5Å; Y303-F382 HydrophobicContact CD1-CB 3.87Å; Y303-F382 AromaticContact CD1-CD1 3.55Å; Y303-F382 HydrophobicContact CD1-CD1 3.55Å; Y303-F382 AromaticContact CD1-CD2 3.92Å; Y303-F382 HydrophobicContact CD1-CD2 3.92Å; Y303-F382 HydrophobicContact CD1-CE1 4.01Å; Y303-F382 HydrophobicContact CD1-CE2 4.33Å; Y303-F382 AromaticContact CD1-CG 3.52Å; Y303-F382 HydrophobicContact CD1-CG 3.52Å; Y303-F382 HydrophobicContact CD1-CZ 4.38Å; Y303-F382 AromaticContact CD2-CD2 3.6Å; Y303-F382 HydrophobicContact CD2-CD2 3.6Å; Y303-F382 AromaticContact CD2-CE2 3.77Å; Y303-F382 HydrophobicContact CD2-CE2 3.77Å; Y303-F382 HydrophobicContact CD2-CG 4.08Å; Y303-F382 HydrophobicContact CD2-CZ 4.37Å; Y303-F382 HydrophobicContact CE1-CB 3.31Å; Y303-F382 AromaticContact CE1-CD1 3.95Å; Y303-F382 HydrophobicContact CE1-CD1 3.95Å; Y303-F382 HydrophobicContact CE1-CD2 4.02Å; Y303-F382 AromaticContact CE1-CG 3.52Å; Y303-F382 HydrophobicContact CE1-CG 3.52Å; Y303-F382 HydrophobicContact CE2-CB 4.19Å; Y303-F382 AromaticContact CE2-CD2 3.68Å; Y303-F382 HydrophobicContact CE2-CD2 3.68Å; Y303-F382 HydrophobicContact CE2-CE2 4.3Å; Y303-F382 HydrophobicContact CE2-CG 4.06Å; Y303-F382 AromaticContact CG-CD1 3.93Å; Y303-F382 HydrophobicContact CG-CD1 3.93Å; Y303-F382 AromaticContact CG-CD2 3.7Å; Y303-F382 HydrophobicContact CG-CD2 3.7Å; Y303-F382 AromaticContact CG-CE1 3.99Å; Y303-F382 HydrophobicContact CG-CE1 3.99Å; Y303-F382 AromaticContact CG-CE2 3.76Å; Y303-F382 HydrophobicContact CG-CE2 3.76Å; Y303-F382 AromaticContact CG-CG 3.8Å; Y303-F382 HydrophobicContact CG-CG 3.8Å; Y303-F382 AromaticContact CG-CZ 3.91Å; Y303-F382 HydrophobicContact CG-CZ 3.91Å; Y303-F382 VanDerWaalsContact CZ-CB 3.48Å; Y303-F382 AromaticContact CZ-CD2 3.89Å; Y303-F382 AromaticContact CZ-CG 3.78Å
304	G	95	Very high	96.6	Very high	63 Å²	63	18.6 Å²	18.6	65%	0.649	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	34.6	176.2	0	0	0	0	0	113.8	E302 N306	E302-G304 PolarHBondContact OE1-N 3.12Å; G304-N306 VanDerWaalsContact C-N 3.31Å; G304-N306 PolarHBondContact O-N 3.23Å; G304-N306 PolarHBondContact O-ND2 3.02Å; G304-N306 VanDerWaalsContact O-ND2 3.1Å
305	G	95.1	Very high	96.1	Very high	37 Å²	37	22.2 Å²	22.2	38%	0.381	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	16.1	-179.2	0	0	0	0	0	114.5	E302 Y303	E302-G305 VanDerWaalsContact OE1-CA 3.28Å; E302-G305 WeakPolarHBondContact OE1-CA 3.14Å; E302-G305 PolarHBondContact OE1-N 2.88Å; Y303-G305 VanDerWaalsContact C-N 3.3Å; Y303-G305 PolarHBondContact O-N 2.04Å
306	N	97.7	Very high	95.3	Very high	21 Å²	21	24.2 Å²	24.2	11%	0.112	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.1	179.6	-60.3	-71.5	0	0	0	110.6	E302 Y303 G304 Y308 K325 D327 L328	E302-N306 WeakPolarHBondContact CA-O 3.38Å; Y303-N306 PolarHBondContact N-O 3.27Å; Y303-N306 PolarHBondContact O-N 3.36Å; G304-N306 VanDerWaalsContact C-N 3.31Å; G304-N306 PolarHBondContact O-N 3.23Å; G304-N306 PolarHBondContact O-ND2 3.02Å; G304-N306 VanDerWaalsContact O-ND2 3.1Å; N306-Y308 HydrophobicContact CB-CE2 4.13Å; N306-K325 VanDerWaalsContact CB-CE 3.43Å; N306-K325 HydrophobicContact CB-CG 4.28Å; N306-K325 WeakPolarHBondContact ND2-CE 3.34Å; N306-K325 PolarHBondContact ND2-NZ 2.79Å; N306-D327 VanDerWaalsContact OD1-CA 3.29Å; N306-D327 WeakPolarHBondContact OD1-CA 3.17Å; N306-L328 PolarHBondContact OD1-N 3.1Å
307	L	98.5	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.8	176.3	-66.3	176.9	0	0	0	110.7	C251 V253 W258 I260 L300 V301 E302 K325 L326 L328	C251-L307 HydrophobicContact CB-CD2 3.87Å; V253-L307 HydrophobicContact CG2-CD2 3.64Å; V253-L307 HydrophobicContact CG2-CG 4.33Å; W258-L307 HydrophobicContact CB-CD1 3.67Å; W258-L307 HydrophobicContact CD2-CD1 4.18Å; W258-L307 HydrophobicContact CE3-CD1 4.44Å; W258-L307 HydrophobicContact CG-CD1 3.84Å; I260-L307 HydrophobicContact CD1-CD1 4.5Å; I260-L307 HydrophobicContact CG1-CD1 4.39Å; L300-L307 HydrophobicContact CD1-CB 3.99Å; L300-L307 HydrophobicContact CD1-CD1 4.47Å; L300-L307 HydrophobicContact CD2-CD1 4.46Å; L300-L307 HydrophobicContact CG-CD2 4.38Å; V301-L307 CarbonylContact O-C 3.53Å; V301-L307 WeakPolarHBondContact O-CA 3.49Å; E302-L307 HydrophobicContact CB-CD2 4.24Å; L307-K325 CarbonylContact O-C 3.6Å; L307-K325 WeakPolarHBondContact O-CA 3.25Å; L307-L326 HydrophobicContact CB-CB 4.28Å; L307-L326 HydrophobicContact CD1-CD2 4.41Å; L307-L326 PolarHBondContact N-O 3.43Å; L307-L326 VanDerWaalsContact N-O 3.13Å; L307-L326 PolarHBondContact O-N 2.64Å; L307-L328 HydrophobicContact CD1-CD2 4.01Å; L307-L328 HydrophobicContact CG-CD1 4.16Å; L307-L328 HydrophobicContact CG-CD2 4.22Å; L307-L328 HydrophobicContact CG-CG 4.38Å
308	Y	98.3	Very high	94.5	Very high	27 Å²	27	34.4 Å²	34.4	11%	0.106	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.8	174.9	-70.2	-99.2	0	0	0	109.4	L300 V301 Y303 N306 F323 L324 K325 V336 F382	L300-Y308 WeakPolarHBondContact CA-O 3.42Å; V301-Y308 PolarHBondContact N-O 3.14Å; V301-Y308 PolarHBondContact O-N 3.18Å; Y303-Y308 HydrophobicContact CD1-CE2 4.47Å; N306-Y308 HydrophobicContact CB-CE2 4.13Å; Y308-F323 HydrophobicContact CD1-CE1 4.42Å; Y308-F323 HydrophobicContact CD1-CE2 4.03Å; Y308-F323 AromaticContact CD1-CZ 3.69Å; Y308-F323 HydrophobicContact CD1-CZ 3.69Å; Y308-F323 HydrophobicContact CE1-CZ 4.46Å; Y308-F323 HydrophobicContact CG-CE2 4.49Å; Y308-F323 HydrophobicContact CG-CZ 4.41Å; Y308-L324 CarbonylContact C-O 3.53Å; Y308-L324 WeakPolarHBondContact CA-O 3.47Å; Y308-K325 HydrophobicContact CD1-CB 4.08Å; Y308-K325 HydrophobicContact CD1-CG 4.32Å; Y308-K325 HydrophobicContact CE1-CB 3.89Å; Y308-K325 HydrophobicContact CE1-CD 4.1Å; Y308-K325 HydrophobicContact CE1-CG 3.88Å; Y308-K325 HydrophobicContact CE2-CG 4.25Å; Y308-V336 HydrophobicContact CD1-CG2 4.07Å; Y308-V336 HydrophobicContact CE1-CG2 3.97Å; Y308-F382 AromaticContact CD1-CE1 3.89Å; Y308-F382 HydrophobicContact CD1-CE1 3.89Å; Y308-F382 AromaticContact CD2-CE1 3.88Å; Y308-F382 HydrophobicContact CD2-CE1 3.88Å; Y308-F382 HydrophobicContact CD2-CZ 4.43Å; Y308-F382 HydrophobicContact CE1-CD1 4.28Å; Y308-F382 AromaticContact CE1-CE1 3.88Å; Y308-F382 HydrophobicContact CE1-CE1 3.88Å; Y308-F382 HydrophobicContact CE2-CD1 4.43Å; Y308-F382 AromaticContact CE2-CE1 3.9Å; Y308-F382 HydrophobicContact CE2-CE1 3.9Å; Y308-F382 AromaticContact CG-CE1 3.88Å; Y308-F382 HydrophobicContact CG-CE1 3.88Å; Y308-F382 HydrophobicContact CG-CZ 4.47Å; Y308-F382 AromaticContact CZ-CE1 3.89Å
309	M	98.2	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	-179.3	179.4	175.1	72.9	0	0	110.1	I260 I271 P292 R295 H298 S299 L300 F323 L324 W333	I260-M309 HydrophobicContact CG2-SD 4.04Å; I271-M309 HydrophobicContact CD1-CE 3.61Å; I271-M309 HydrophobicContact CD1-SD 3.38Å; I271-M309 WeakPolarHBondContact CD1-SD 3.47Å; P292-M309 HydrophobicContact CG-CE 4.03Å; R295-M309 HydrophobicContact CG-SD 4.28Å; H298-M309 HydrophobicContact CB-CG 4.16Å; H298-M309 VanDerWaalsContact CD2-CG 3.5Å; H298-M309 WeakPolarHBondContact CD2-CG 3.49Å; H298-M309 VanDerWaalsContact CD2-SD 3.5Å; S299-M309 WeakPolarHBondContact O-CA 3.27Å; L300-M309 HydrophobicContact CD1-CB 4.19Å; M309-F323 WeakPolarHBondContact O-CA 3.42Å; M309-F323 WeakPolarHBondContact O-CD2 3.41Å; M309-L324 HydrophobicContact CE-CB 4.42Å; M309-L324 HydrophobicContact CE-CD1 3.57Å; M309-L324 PolarHBondContact N-O 3.32Å; M309-L324 PolarHBondContact O-N 2.87Å; M309-W333 HydrophobicContact CB-CZ3 4.19Å; M309-W333 HydrophobicContact CE-CH2 4.38Å; M309-W333 HydrophobicContact CE-CZ3 4.14Å; M309-W333 HydrophobicContact SD-CH2 4.46Å
310	F	98	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.7	179.2	180	-121.7	0	0	0	113.1	H298 S299 D322 F323 P346 S347 H352 M361 T363 W387	H298-F310 WeakPolarHBondContact CA-O 2.95Å; H298-F310 WeakPolarHBondContact CB-O 3.45Å; S299-F310 PolarHBondContact N-O 2.8Å; S299-F310 VanDerWaalsContact N-O 3.07Å; S299-F310 PolarHBondContact O-N 2.91Å; F310-D322 WeakPolarHBondContact CA-O 3.32Å; F310-F323 HydrophobicContact CB-CD2 4.05Å; F310-F323 HydrophobicContact CD2-CB 4.13Å; F310-F323 HydrophobicContact CD2-CD2 4.21Å; F310-F323 HydrophobicContact CD2-CG 4.49Å; F310-P346 HydrophobicContact CE2-CB 3.55Å; F310-P346 HydrophobicContact CE2-CG 4.5Å; F310-P346 HydrophobicContact CZ-CB 3.84Å; F310-S347 WeakPolarHBondContact CZ-O 3.12Å; F310-H352 AromaticContact CD1-CE1 3.97Å; F310-H352 AromaticContact CD1-NE2 3.42Å; F310-H352 WeakPolarHBondContact CD1-NE2 3.46Å; F310-H352 PolarHBondContact O-CE1 3.28Å; F310-H352 VanDerWaalsContact O-CE1 3.23Å; F310-H352 PolarHBondContact O-NE2 3Å; F310-M361 HydrophobicContact CB-CE 3.86Å; F310-T363 HydrophobicContact CD1-CG2 3.67Å; F310-T363 HydrophobicContact CE1-CG2 4.03Å; F310-W387 HydrophobicContact CD1-CH2 4.02Å; F310-W387 HydrophobicContact CD1-CZ2 4.29Å; F310-W387 AromaticContact CD2-CH2 3.67Å; F310-W387 HydrophobicContact CD2-CH2 3.67Å; F310-W387 HydrophobicContact CD2-CZ2 4.34Å; F310-W387 HydrophobicContact CD2-CZ3 4.35Å; F310-W387 AromaticContact CE1-CH2 3.95Å; F310-W387 HydrophobicContact CE1-CH2 3.95Å; F310-W387 AromaticContact CE1-CZ2 3.79Å; F310-W387 HydrophobicContact CE1-CZ2 3.79Å; F310-W387 AromaticContact CE2-CH2 3.63Å; F310-W387 HydrophobicContact CE2-CH2 3.63Å; F310-W387 AromaticContact CE2-CZ2 3.88Å; F310-W387 HydrophobicContact CE2-CZ2 3.88Å; F310-W387 HydrophobicContact CE2-CZ3 4.4Å; F310-W387 AromaticContact CG-CH2 3.87Å; F310-W387 HydrophobicContact CG-CH2 3.87Å; F310-W387 AromaticContact CZ-CH2 3.75Å; F310-W387 HydrophobicContact CZ-CH2 3.75Å; F310-W387 AromaticContact CZ-CZ2 3.55Å; F310-W387 HydrophobicContact CZ-CZ2 3.55Å
311	G	97.4	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.			trans	66.8	-144.9	171.7	0	0	0	0	0	114.5	R295 H298 T320 D322	R295-G311 WeakPolarHBondContact CD-O 3.5Å; R295-G311 PolarHBondContact NH1-O 2.75Å; R295-G311 VanDerWaalsContact NH1-O 3.13Å; H298-G311 WeakPolarHBondContact CB-O 3.43Å; G311-T320 WeakPolarHBondContact CA-O 3.38Å; G311-T320 PolarHBondContact O-OG1 3.35Å; G311-D322 PolarHBondContact N-O 2.93Å
312	G	96.2	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.			trans	96.3	168.4	-178.8	0	0	0	0	0	114.6	Y296 T320 S349	Y296-G312 WeakPolarHBondContact O-CA 3.41Å; G312-T320 PolarHBondContact O-N 2.83Å; G312-T320 PolarHBondContact O-OG1 2.99Å; G312-S349 PolarHBondContact N-O 3.14Å
313	L	93.7	Very high	93.9	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.115	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.7	180	-170.4	78	0	0	0	111.5	R295 Y296 M316 K318 I319 V350	R295-L313 WeakPolarHBondContact CA-O 3.27Å; R295-L313 VanDerWaalsContact CB-O 3.23Å; R295-L313 WeakPolarHBondContact CB-O 3.44Å; Y296-L313 HydrophobicContact CE1-CB 4.16Å; Y296-L313 HydrophobicContact CE1-CD2 3.7Å; Y296-L313 HydrophobicContact CE1-CG 4.35Å; Y296-L313 HydrophobicContact CE2-CD2 4.32Å; Y296-L313 VanDerWaalsContact CZ-CD2 3.44Å; Y296-L313 PolarHBondContact N-O 3.22Å; Y296-L313 PolarHBondContact O-N 3.36Å; Y296-L313 WeakPolarHBondContact OH-CD2 3.26Å; L313-M316 HydrophobicContact CD2-CE 4.4Å; L313-K318 WeakPolarHBondContact CA-O 3.34Å; L313-I319 HydrophobicContact CD1-CB 4.48Å; L313-I319 HydrophobicContact CD1-CG1 3.52Å; L313-V350 HydrophobicContact CB-CG2 4.1Å
314	V	92.2	Very high	93.9	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.3	177.3	176.2	0	0	0	0	109.9	L293 R295 M316 R317 K318 T320	L293-V314 HydrophobicContact CB-CG1 3.62Å; L293-V314 HydrophobicContact CD1-CG1 3.61Å; L293-V314 HydrophobicContact CG-CG1 4.27Å; R295-V314 HydrophobicContact CB-CG2 3.86Å; V314-M316 PolarHBondContact O-N 3.31Å; V314-R317 PolarHBondContact O-N 3.24Å; V314-R317 VanDerWaalsContact O-N 3.16Å; V314-K318 PolarHBondContact N-O 3.16Å; V314-K318 PolarHBondContact O-N 2.85Å; V314-T320 HydrophobicContact CB-CG2 4.35Å; V314-T320 HydrophobicContact CG2-CG2 3.78Å
315	N	83.9	Confident	94	Very high	96 Å²	96	31.8 Å²	31.8	51%	0.513	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	34.8	177.7	-64.7	-9.1	0	0	0	113.8	R317	N315-R317 PolarHBondContact O-N 3.2Å
316	M	79.7	Confident	94.2	Very high	48 Å²	48	30 Å²	30	24%	0.236	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	6.6	179.1	-63	-55.6	-45.2	0	0	116.5	Y263 Y296 L313 V314 T734 Q751	Y263-M316 HydrophobicContact CD2-SD 3.85Å; Y263-M316 HydrophobicContact CE2-CE 4.42Å; Y263-M316 HydrophobicContact CE2-SD 3.55Å; Y263-M316 VanDerWaalsContact CE2-SD 3.55Å; Y296-M316 HydrophobicContact CE1-CE 4.29Å; Y296-M316 HydrophobicContact CE1-SD 3.68Å; Y296-M316 WeakPolarHBondContact OH-CE 3.28Å; L313-M316 HydrophobicContact CD2-CE 4.4Å; V314-M316 PolarHBondContact O-N 3.31Å; M316-T734 HydrophobicContact CB-CG2 4.23Å; M316-Q751 HydrophobicContact CE-CB 3.32Å; M316-Q751 HydrophobicContact CE-CG 3.3Å; M316-Q751 HydrophobicContact SD-CB 4.39Å; M316-Q751 HydrophobicContact SD-CG 4.07Å
317	R	82.9	Confident	94.2	Very high	101 Å²	101	30.9 Å²	30.9	38%	0.381	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-42.2	-170.1	-177.4	166.1	-176.1	-159.8	-0.9	114	V314 N315 I319 Q735 D736	V314-R317 PolarHBondContact O-N 3.24Å; V314-R317 VanDerWaalsContact O-N 3.16Å; N315-R317 PolarHBondContact O-N 3.2Å; R317-I319 PolarHBondContact O-N 2.8Å; R317-Q735 PolarHBondContact NE-O 3.18Å; R317-Q735 PolarHBondContact NH1-O 2.93Å; R317-D736 HydrophobicContact CG-CB 4.25Å; R317-D736 WeakPolarHBondContact CG-OD1 3.12Å; R317-D736 IonicContact NE-OD1 3.57Å; R317-D736 PolarHBondContact NE-OD1 2.87Å
318	K	90.3	Very high	94.1	Very high	134 Å²	134	32.4 Å²	32.4	58%	0.583	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.9	-171.9	-173.6	-179.4	178.7	-177.1	0	111.3	L313 V314 T320	L313-K318 WeakPolarHBondContact CA-O 3.34Å; V314-K318 PolarHBondContact N-O 3.16Å; V314-K318 PolarHBondContact O-N 2.85Å; K318-T320 HydrophobicContact CD-CG2 4.45Å; K318-T320 HydrophobicContact CG-CG2 4.28Å
319	I	94.1	Very high	94	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.108	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.4	167.4	-58.7	171.2	0	0	0	108.6	L313 R317 H348 V350 F367 P369	L313-I319 HydrophobicContact CD1-CB 4.48Å; L313-I319 HydrophobicContact CD1-CG1 3.52Å; R317-I319 PolarHBondContact O-N 2.8Å; I319-H348 HydrophobicContact CG2-CB 4.19Å; I319-H348 PolarHBondContact O-ND1 3.23Å; I319-V350 HydrophobicContact CD1-CG1 3.74Å; I319-V350 HydrophobicContact CG1-CG1 3.95Å; I319-V350 HydrophobicContact CG2-CB 4.09Å; I319-V350 HydrophobicContact CG2-CG1 4.05Å; I319-F367 HydrophobicContact CD1-CD1 3.65Å; I319-F367 HydrophobicContact CD1-CE1 4.01Å; I319-P369 HydrophobicContact CB-CG 4.27Å; I319-P369 HydrophobicContact CD1-CB 4.22Å
320	T	95.7	Very high	94	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	21%	0.212	C	C	.	.			trans	-102.8	159.3	-174.3	64.8	0	0	0	0	112.1	R295 G311 G312 V314 K318 S349	R295-T320 PolarHBondContact NH1-OG1 3.42Å; G311-T320 WeakPolarHBondContact CA-O 3.38Å; G311-T320 PolarHBondContact O-OG1 3.35Å; G312-T320 PolarHBondContact O-N 2.83Å; G312-T320 PolarHBondContact O-OG1 2.99Å; V314-T320 HydrophobicContact CB-CG2 4.35Å; V314-T320 HydrophobicContact CG2-CG2 3.78Å; K318-T320 HydrophobicContact CD-CG2 4.45Å; K318-T320 HydrophobicContact CG-CG2 4.28Å; T320-S349 PolarHBondContact O-N 2.92Å
321	N	95.2	Very high	94	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.262	22%	0.223	S	C	.	.			trans	-112	21.5	162.4	64.1	-21.7	0	0	0	110.6	F323 P346	N321-F323 PolarHBondContact O-N 2.93Å; N321-P346 HydrophobicContact CB-CB 4.42Å; N321-P346 WeakPolarHBondContact CB-O 3.48Å; N321-P346 PolarHBondContact ND2-O 2.97Å
322	D	95.6	Very high	94	Very high	36 Å²	36	47.3 Å²	47.3	19%	0.193	23%	0.229	C	C	.	.			trans	-62.1	133.3	-177.2	-52.8	-22.4	0	0	0	109.2	R295 F310 G311 L324 M335	R295-D322 IonicContact CZ-OD2 3.99Å; R295-D322 VanDerWaalsContact CZ-OD2 3.27Å; R295-D322 IonicContact NH1-OD2 2.87Å; R295-D322 PolarHBondContact NH1-OD2 3.08Å; R295-D322 IonicContact NH2-OD2 3.39Å; R295-D322 PolarHBondContact NH2-OD2 3.39Å; F310-D322 WeakPolarHBondContact CA-O 3.32Å; G311-D322 PolarHBondContact N-O 2.93Å; D322-L324 HydrophobicContact CB-CD1 3.52Å; D322-M335 HydrophobicContact CB-CE 4.44Å; D322-M335 HydrophobicContact CB-SD 4.32Å
323	F	96.7	Very high	94.1	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.1	175	-174	-137.5	0	0	0	108.9	Y308 M309 F310 N321 V336 M361 Y380 W387	Y308-F323 HydrophobicContact CD1-CE1 4.42Å; Y308-F323 HydrophobicContact CD1-CE2 4.03Å; Y308-F323 AromaticContact CD1-CZ 3.69Å; Y308-F323 HydrophobicContact CD1-CZ 3.69Å; Y308-F323 HydrophobicContact CE1-CZ 4.46Å; Y308-F323 HydrophobicContact CG-CE2 4.49Å; Y308-F323 HydrophobicContact CG-CZ 4.41Å; M309-F323 WeakPolarHBondContact O-CA 3.42Å; M309-F323 WeakPolarHBondContact O-CD2 3.41Å; F310-F323 HydrophobicContact CB-CD2 4.05Å; F310-F323 HydrophobicContact CD2-CB 4.13Å; F310-F323 HydrophobicContact CD2-CD2 4.21Å; F310-F323 HydrophobicContact CD2-CG 4.49Å; N321-F323 PolarHBondContact O-N 2.93Å; F323-V336 HydrophobicContact CD1-CB 3.5Å; F323-V336 VanDerWaalsContact CD1-CB 3.5Å; F323-V336 HydrophobicContact CD1-CG1 3.76Å; F323-V336 HydrophobicContact CD1-CG2 4.06Å; F323-V336 HydrophobicContact CE1-CB 3.79Å; F323-V336 HydrophobicContact CE1-CG1 3.63Å; F323-V336 HydrophobicContact CE1-CG2 4.09Å; F323-V336 HydrophobicContact CG-CB 4.23Å; F323-V336 PolarHBondContact O-N 3Å; F323-M361 HydrophobicContact CE2-SD 3.88Å; F323-M361 HydrophobicContact CZ-SD 4.3Å; F323-Y380 HydrophobicContact CD1-CE2 4.49Å; F323-Y380 AromaticContact CE1-CD1 3.66Å; F323-Y380 HydrophobicContact CE1-CD1 3.66Å; F323-Y380 AromaticContact CE1-CD2 3.98Å; F323-Y380 HydrophobicContact CE1-CD2 3.98Å; F323-Y380 AromaticContact CE1-CE1 3.54Å; F323-Y380 HydrophobicContact CE1-CE1 3.54Å; F323-Y380 AromaticContact CE1-CE2 3.85Å; F323-Y380 HydrophobicContact CE1-CE2 3.85Å; F323-Y380 AromaticContact CE1-CG 3.86Å; F323-Y380 HydrophobicContact CE1-CG 3.86Å; F323-Y380 AromaticContact CE1-CZ 3.63Å; F323-Y380 AromaticContact CZ-CD1 3.68Å; F323-Y380 HydrophobicContact CZ-CD1 3.68Å; F323-Y380 AromaticContact CZ-CE1 3.85Å; F323-Y380 HydrophobicContact CZ-CE1 3.85Å; F323-Y380 HydrophobicContact CZ-CG 4.11Å; F323-W387 HydrophobicContact CB-CZ3 4.49Å; F323-W387 HydrophobicContact CD1-CE3 4.33Å; F323-W387 AromaticContact CD1-CZ3 3.82Å; F323-W387 HydrophobicContact CD1-CZ3 3.82Å; F323-W387 HydrophobicContact CD2-CZ3 4.12Å; F323-W387 HydrophobicContact CE1-CZ3 4.01Å; F323-W387 HydrophobicContact CE2-CZ3 4.28Å; F323-W387 AromaticContact CG-CZ3 3.9Å; F323-W387 HydrophobicContact CG-CZ3 3.9Å; F323-W387 HydrophobicContact CZ-CZ3 4.24Å
324	L	97.5	Very high	94.3	Very high	9 Å²	9	53 Å²	53	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.7	-171.6	-60.8	108.6	0	0	0	111.4	P292 Y308 M309 D322 W333 K334 M335	P292-L324 HydrophobicContact CB-CD2 3.88Å; P292-L324 HydrophobicContact CG-CD2 4.01Å; Y308-L324 CarbonylContact C-O 3.53Å; Y308-L324 WeakPolarHBondContact CA-O 3.47Å; M309-L324 HydrophobicContact CE-CB 4.42Å; M309-L324 HydrophobicContact CE-CD1 3.57Å; M309-L324 PolarHBondContact N-O 3.32Å; M309-L324 PolarHBondContact O-N 2.87Å; D322-L324 HydrophobicContact CB-CD1 3.52Å; L324-W333 HydrophobicContact CB-CE3 3.91Å; L324-W333 HydrophobicContact CB-CZ3 4.09Å; L324-K334 CarbonylContact C-O 3.46Å; L324-K334 WeakPolarHBondContact CA-O 3.44Å; L324-M335 HydrophobicContact CD1-SD 4.25Å; L324-M335 HydrophobicContact CD2-CG 4.39Å; L324-M335 HydrophobicContact CD2-SD 3.81Å; L324-M335 HydrophobicContact CG-SD 3.67Å
325	K	97.7	Very high	94.4	Very high	52 Å²	52	58.4 Å²	58.4	23%	0.226	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.2	170.8	-178.1	-169.6	179.5	-167.9	0	109	N306 L307 Y308 W333 K334 V336	N306-K325 VanDerWaalsContact CB-CE 3.43Å; N306-K325 HydrophobicContact CB-CG 4.28Å; N306-K325 WeakPolarHBondContact ND2-CE 3.34Å; N306-K325 PolarHBondContact ND2-NZ 2.79Å; L307-K325 CarbonylContact O-C 3.6Å; L307-K325 WeakPolarHBondContact O-CA 3.25Å; Y308-K325 HydrophobicContact CD1-CB 4.08Å; Y308-K325 HydrophobicContact CD1-CG 4.32Å; Y308-K325 HydrophobicContact CE1-CB 3.89Å; Y308-K325 HydrophobicContact CE1-CD 4.1Å; Y308-K325 HydrophobicContact CE1-CG 3.88Å; Y308-K325 HydrophobicContact CE2-CG 4.25Å; K325-W333 CarbonylContact O-C 3.47Å; K325-W333 WeakPolarHBondContact O-CA 3.35Å; K325-K334 PolarHBondContact N-O 3.05Å; K325-K334 PolarHBondContact O-N 2.85Å; K325-V336 HydrophobicContact CB-CG2 3.72Å
326	L	98.5	Very high	94.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.2	162.3	174.3	60.5	0	0	0	108.5	T288 L307 L328 W333	T288-L326 HydrophobicContact CG2-CD1 4.04Å; T288-L326 HydrophobicContact CG2-CD2 4.49Å; L307-L326 HydrophobicContact CB-CB 4.28Å; L307-L326 HydrophobicContact CD1-CD2 4.41Å; L307-L326 PolarHBondContact N-O 3.43Å; L307-L326 VanDerWaalsContact N-O 3.13Å; L307-L326 PolarHBondContact O-N 2.64Å; L326-L328 HydrophobicContact CD2-CD2 4Å; L326-L328 HydrophobicContact CG-CD2 4.12Å; L326-L328 PolarHBondContact O-N 3.3Å; L326-W333 HydrophobicContact CB-CD2 3.96Å; L326-W333 HydrophobicContact CB-CE3 3.81Å; L326-W333 HydrophobicContact CB-CH2 3.81Å; L326-W333 HydrophobicContact CB-CZ2 3.94Å; L326-W333 HydrophobicContact CB-CZ3 3.74Å; L326-W333 HydrophobicContact CD1-CD2 4.12Å; L326-W333 HydrophobicContact CD1-CG 4.22Å; L326-W333 HydrophobicContact CD1-CZ2 4.42Å; L326-W333 HydrophobicContact CD2-CH2 4.26Å; L326-W333 HydrophobicContact CD2-CZ2 3.78Å; L326-W333 HydrophobicContact CG-CZ2 4.26Å
327	D	97.9	Very high	94.9	Very high	38 Å²	38	56.7 Å²	56.7	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	113.8	172.1	-176.6	-62.5	0	0	0	109.5	N306 K329 T330 L331 T332	N306-D327 VanDerWaalsContact OD1-CA 3.29Å; N306-D327 WeakPolarHBondContact OD1-CA 3.17Å; D327-K329 VanDerWaalsContact C-N 3.26Å; D327-K329 PolarHBondContact O-N 2.74Å; D327-K329 WeakPolarHBondContact OD1-CB 3.15Å; D327-K329 PolarHBondContact OD1-N 3.12Å; D327-T330 VanDerWaalsContact CB-OG1 3.3Å; D327-T330 WeakPolarHBondContact CB-OG1 3.42Å; D327-T330 PolarHBondContact OD1-N 3.09Å; D327-T330 PolarHBondContact OD1-OG1 3.45Å; D327-L331 WeakPolarHBondContact O-CA 3.3Å; D327-L331 PolarHBondContact O-N 3.25Å; D327-T332 PolarHBondContact N-O 2.94Å
328	L	96.7	Very high	94.5	Very high	32 Å²	32	53.6 Å²	53.6	17%	0.168	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.6	-172.9	-68.2	-178.8	0	0	0	114	V253 W258 N306 L307 L326	V253-L328 HydrophobicContact CB-CD1 4.19Å; V253-L328 HydrophobicContact CG1-CD1 3.73Å; V253-L328 HydrophobicContact CG2-CD1 4.04Å; W258-L328 HydrophobicContact CD2-CD2 4.16Å; W258-L328 HydrophobicContact CE3-CD2 4.23Å; W258-L328 HydrophobicContact CH2-CD2 3.9Å; W258-L328 HydrophobicContact CZ2-CD2 3.81Å; W258-L328 HydrophobicContact CZ3-CD2 4.1Å; N306-L328 PolarHBondContact OD1-N 3.1Å; L307-L328 HydrophobicContact CD1-CD2 4.01Å; L307-L328 HydrophobicContact CG-CD1 4.16Å; L307-L328 HydrophobicContact CG-CD2 4.22Å; L307-L328 HydrophobicContact CG-CG 4.38Å; L326-L328 HydrophobicContact CD2-CD2 4Å; L326-L328 HydrophobicContact CG-CD2 4.12Å; L326-L328 PolarHBondContact O-N 3.3Å
329	K	96.1	Very high	93.5	Very high	198 Å²	198	52 Å²	52	86%	0.861	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-41.5	175.5	-63.9	-179	-180	179.8	0	111	D327	D327-K329 VanDerWaalsContact C-N 3.26Å; D327-K329 PolarHBondContact O-N 2.74Å; D327-K329 WeakPolarHBondContact OD1-CB 3.15Å; D327-K329 PolarHBondContact OD1-N 3.12Å
330	T	97.3	Very high	92.4	Very high	76 Å²	76	55.1 Å²	55.1	47%	0.466	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-13	-177.5	58.9	0	0	0	0	113.4	D327 T332	D327-T330 VanDerWaalsContact CB-OG1 3.3Å; D327-T330 WeakPolarHBondContact CB-OG1 3.42Å; D327-T330 PolarHBondContact OD1-N 3.09Å; D327-T330 PolarHBondContact OD1-OG1 3.45Å; T330-T332 PolarHBondContact O-N 2.93Å; T330-T332 PolarHBondContact OG1-OG1 2.88Å
331	L	97.8	Very high	91.1	Very high	45 Å²	45	61.6 Å²	61.6	24%	0.236	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.2	-172	-60.9	175.3	0	0	0	112.8	W258 P286 T288 I289 D327	W258-L331 HydrophobicContact CH2-CD2 4.01Å; W258-L331 HydrophobicContact CZ3-CD2 4.44Å; P286-L331 HydrophobicContact CB-CD1 4.11Å; T288-L331 CarbonylContact C-O 3.56Å; T288-L331 VanDerWaalsContact CA-O 3.25Å; T288-L331 WeakPolarHBondContact CA-O 3.31Å; T288-L331 WeakPolarHBondContact CB-O 3.23Å; T288-L331 HydrophobicContact CG2-CB 4.39Å; I289-L331 PolarHBondContact N-O 3.07Å; D327-L331 WeakPolarHBondContact O-CA 3.3Å; D327-L331 PolarHBondContact O-N 3.25Å
332	T	98.3	Very high	90.2	Very high	22 Å²	22	68.7 Å²	68.7	14%	0.135	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.8	180	60.2	0	0	0	0	111.1	I289 D327 T330	I289-T332 HydrophobicContact CB-CG2 4Å; I289-T332 HydrophobicContact CD1-CG2 4.06Å; I289-T332 HydrophobicContact CG2-CG2 4.43Å; D327-T332 PolarHBondContact N-O 2.94Å; T330-T332 PolarHBondContact O-N 2.93Å; T330-T332 PolarHBondContact OG1-OG1 2.88Å
333	W	98.4	Very high	89.1	Confident	5 Å²	5	68.1 Å²	68.1	2%	0.019	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.6	171.3	-73.1	96	0	0	0	110.8	I260 I271 V273 T288 I289 D290 P292 M309 L324 K325 L326	I260-W333 HydrophobicContact CG2-CH2 3.97Å; I260-W333 HydrophobicContact CG2-CZ2 4.25Å; I271-W333 HydrophobicContact CG2-CZ2 4.05Å; V273-W333 HydrophobicContact CG2-CZ2 4.25Å; T288-W333 PolarHBondContact OG1-NE1 3.26Å; I289-W333 PolarHBondContact O-N 3.22Å; D290-W333 WeakPolarHBondContact O-CB 3.42Å; P292-W333 HydrophobicContact CG-CD2 4.22Å; P292-W333 HydrophobicContact CG-CE3 4.35Å; M309-W333 HydrophobicContact CB-CZ3 4.19Å; M309-W333 HydrophobicContact CE-CH2 4.38Å; M309-W333 HydrophobicContact CE-CZ3 4.14Å; M309-W333 HydrophobicContact SD-CH2 4.46Å; L324-W333 HydrophobicContact CB-CE3 3.91Å; L324-W333 HydrophobicContact CB-CZ3 4.09Å; K325-W333 CarbonylContact O-C 3.47Å; K325-W333 WeakPolarHBondContact O-CA 3.35Å; L326-W333 HydrophobicContact CB-CD2 3.96Å; L326-W333 HydrophobicContact CB-CE3 3.81Å; L326-W333 HydrophobicContact CB-CH2 3.81Å; L326-W333 HydrophobicContact CB-CZ2 3.94Å; L326-W333 HydrophobicContact CB-CZ3 3.74Å; L326-W333 HydrophobicContact CD1-CD2 4.12Å; L326-W333 HydrophobicContact CD1-CG 4.22Å; L326-W333 HydrophobicContact CD1-CZ2 4.42Å; L326-W333 HydrophobicContact CD2-CH2 4.26Å; L326-W333 HydrophobicContact CD2-CZ2 3.78Å; L326-W333 HydrophobicContact CG-CZ2 4.26Å
334	K	97.2	Very high	88.3	Confident	135 Å²	135	71.5 Å²	71.5	59%	0.587	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.5	173.9	-65.6	-175	-179.7	178.2	0	110.8	L324 K325 V336	L324-K334 CarbonylContact C-O 3.46Å; L324-K334 WeakPolarHBondContact CA-O 3.44Å; K325-K334 PolarHBondContact N-O 3.05Å; K325-K334 PolarHBondContact O-N 2.85Å; K334-V336 PolarHBondContact O-N 3.06Å
335	M	95.2	Very high	87.7	Confident	121 Å²	121	78.8 Å²	78.8	60%	0.596	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.8	165.3	-73	-71.3	-76.6	0	0	108.8	D322 L324 A337	D322-M335 HydrophobicContact CB-CE 4.44Å; D322-M335 HydrophobicContact CB-SD 4.32Å; L324-M335 HydrophobicContact CD1-SD 4.25Å; L324-M335 HydrophobicContact CD2-CG 4.39Å; L324-M335 HydrophobicContact CD2-SD 3.81Å; L324-M335 HydrophobicContact CG-SD 3.67Å; M335-A337 PolarHBondContact O-N 3.1Å
336	V	92.5	Very high	87.4	Confident	30 Å²	30	77 Å²	77	18%	0.182	40%	0.395	C	S	.	.			trans	-83.7	112.7	175.9	-177.4	0	0	0	0	107.8	Y308 F323 K325 K334 Y380	Y308-V336 HydrophobicContact CD1-CG2 4.07Å; Y308-V336 HydrophobicContact CE1-CG2 3.97Å; F323-V336 HydrophobicContact CD1-CB 3.5Å; F323-V336 VanDerWaalsContact CD1-CB 3.5Å; F323-V336 HydrophobicContact CD1-CG1 3.76Å; F323-V336 HydrophobicContact CD1-CG2 4.06Å; F323-V336 HydrophobicContact CE1-CB 3.79Å; F323-V336 HydrophobicContact CE1-CG1 3.63Å; F323-V336 HydrophobicContact CE1-CG2 4.09Å; F323-V336 HydrophobicContact CG-CB 4.23Å; F323-V336 PolarHBondContact O-N 3Å; K325-V336 HydrophobicContact CB-CG2 3.72Å; K334-V336 PolarHBondContact O-N 3.06Å; V336-Y380 WeakPolarHBondContact CG1-OH 2.94Å
337	A	81.7	Confident	87.1	Confident	79 Å²	79	79.3 Å²	79.3	65%	0.653	41%	0.411	S	S	*	.			trans	-70.8	130.2	-179.8	0	0	0	0	0	110.7	M335	M335-A337 PolarHBondContact O-N 3.1Å
338	V	74.9	Confident	87	Confident	36 Å²	36	80.4 Å²	80.4	22%	0.218	42%	0.415	C	S	.	.			trans	-86.8	118.6	163.9	-172.9	0	0	0	0	106.8	N340 A343	V338-N340 VanDerWaalsContact C-N 3.28Å; V338-N340 PolarHBondContact O-N 3.13Å; V338-N340 VanDerWaalsContact O-N 3.08Å; V338-A343 HydrophobicContact CG1-CB 4.16Å
339	P	69.6	Low	87	Confident	101 Å²	101	79 Å²	79	66%	0.656	41%	0.408	S	S	*	.	S	Bend	trans	-60.4	-26.9	-161.1	-26.8	32.7	0	0	0	116.5	S385	P339-S385 WeakPolarHBondContact CD-O 3.36Å
340	N	69.8	Low	87	Confident	86 Å²	86	70 Å²	70	46%	0.46	37%	0.369	S	S	.	.			trans	-123.2	131	-168.9	-172.6	-3.6	0	0	0	111.4	V338 Y342 A343	V338-N340 VanDerWaalsContact C-N 3.28Å; V338-N340 PolarHBondContact O-N 3.13Å; V338-N340 VanDerWaalsContact O-N 3.08Å; N340-Y342 PolarHBondContact O-N 3.01Å; N340-Y342 PolarHBondContact OD1-N 3.48Å; N340-A343 HydrophobicContact CB-CB 3.86Å; N340-A343 WeakPolarHBondContact O-CB 3.47Å; N340-A343 PolarHBondContact O-N 2.77Å
341	M	67.5	Low	86.9	Confident	138 Å²	138	66.8 Å²	66.8	68%	0.68	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.8	175.9	-176.1	167.7	126.8	0	0	112.7
342	Y	76.3	Confident	86.9	Confident	198 Å²	198	65.1 Å²	65.1	78%	0.776	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.5	176.7	-58.5	-75.5	0	0	0	113.9	N340	N340-Y342 PolarHBondContact O-N 3.01Å; N340-Y342 PolarHBondContact OD1-N 3.48Å
343	A	73.8	Confident	86.8	Confident	23 Å²	23	64.4 Å²	64.4	19%	0.19	34%	0.338	C	S	.	.	S	Bend	trans	-67.4	149.6	174.2	0	0	0	0	0	109.9	V338 N340 R345	V338-A343 HydrophobicContact CG1-CB 4.16Å; N340-A343 HydrophobicContact CB-CB 3.86Å; N340-A343 WeakPolarHBondContact O-CB 3.47Å; N340-A343 PolarHBondContact O-N 2.77Å; A343-R345 PolarHBondContact O-N 3.41Å
344	P	80.1	Confident	86.8	Confident	77 Å²	77	64.8 Å²	64.8	50%	0.5	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.2	128.9	172.6	-19.4	29.8	0	0	0	109.6	W387	P344-W387 WeakPolarHBondContact CB-O 3.38Å
345	R	84.4	Confident	86.9	Confident	162 Å²	162	59.7 Å²	59.7	61%	0.611	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-91	152.7	180	-70.1	-172.1	179.3	-138	1.5	110.7	A343 S347	A343-R345 PolarHBondContact O-N 3.41Å; R345-S347 PolarHBondContact O-N 3.18Å
346	P	91.5	Very high	87	Confident	15 Å²	15	56.2 Å²	56.2	10%	0.097	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.4	169.3	22.2	-31.7	0	0	0	110.9	F310 N321 W387	F310-P346 HydrophobicContact CE2-CB 3.55Å; F310-P346 HydrophobicContact CE2-CG 4.5Å; F310-P346 HydrophobicContact CZ-CB 3.84Å; N321-P346 HydrophobicContact CB-CB 4.42Å; N321-P346 WeakPolarHBondContact CB-O 3.48Å; N321-P346 PolarHBondContact ND2-O 2.97Å; P346-W387 HydrophobicContact CB-CD2 3.8Å; P346-W387 HydrophobicContact CB-CE3 4.06Å; P346-W387 HydrophobicContact CB-CG 4.33Å; P346-W387 HydrophobicContact CB-CH2 4.18Å; P346-W387 HydrophobicContact CB-CZ2 3.85Å; P346-W387 HydrophobicContact CB-CZ3 4.26Å; P346-W387 HydrophobicContact CG-CD2 4.47Å; P346-W387 HydrophobicContact CG-CE3 4.48Å
347	S	93	Very high	87.1	Confident	48 Å²	48	56.9 Å²	56.9	34%	0.336	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-84.9	146.1	175.8	-62	0	0	0	0	110.7	F310 R345 S349 Q378	F310-S347 WeakPolarHBondContact CZ-O 3.12Å; R345-S347 PolarHBondContact O-N 3.18Å; S347-S349 PolarHBondContact O-N 3.06Å; S347-Q378 PolarHBondContact O-NE2 2.87Å
348	H	94.9	Very high	87.7	Confident	62 Å²	62	56 Å²	56	29%	0.287	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-57.3	136	177.9	-65.7	-101.3	0	0	0	110.6	I319 H368 P369	I319-H348 HydrophobicContact CG2-CB 4.19Å; I319-H348 PolarHBondContact O-ND1 3.23Å; H348-H368 PolarHBondContact O-CD2 3.18Å; H348-P369 HydrophobicContact CB-CG 4Å
349	S	96	Very high	88.7	Confident	2 Å²	2	58 Å²	58	1%	0.014	32%	0.316	C	S	.	.			trans	-156.3	141.5	178.7	-168.7	0	0	0	0	113.2	G312 T320 S347 H352 L365 F367	G312-S349 PolarHBondContact N-O 3.14Å; T320-S349 PolarHBondContact O-N 2.92Å; S347-S349 PolarHBondContact O-N 3.06Å; S349-H352 WeakPolarHBondContact CB-ND1 3.46Å; S349-H352 PolarHBondContact O-CE1 2.84Å; S349-H352 PolarHBondContact O-ND1 2.81Å; S349-H352 WeakPolarHBondContact OG-CB 3.32Å; S349-H352 VanDerWaalsContact OG-CG 3.31Å; S349-H352 PolarHBondContact OG-ND1 3.21Å; S349-L365 PolarHBondContact OG-O 3.02Å; S349-F367 WeakPolarHBondContact CA-O 3.38Å
350	V	95.9	Very high	90	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-137.8	148	170.4	63.7	0	0	0	0	110	G297 L313 I319 H352 G366 F367 Y401	G297-V350 CarbonylContact O-C 3.43Å; G297-V350 WeakPolarHBondContact O-CA 3.08Å; L313-V350 HydrophobicContact CB-CG2 4.1Å; I319-V350 HydrophobicContact CD1-CG1 3.74Å; I319-V350 HydrophobicContact CG1-CG1 3.95Å; I319-V350 HydrophobicContact CG2-CB 4.09Å; I319-V350 HydrophobicContact CG2-CG1 4.05Å; V350-H352 PolarHBondContact O-N 2.75Å; V350-G366 CarbonylContact O-C 3.59Å; V350-G366 WeakPolarHBondContact O-CA 3.34Å; V350-F367 HydrophobicContact CG1-CB 3.95Å; V350-F367 HydrophobicContact CG1-CD1 4.41Å; V350-F367 PolarHBondContact N-O 2.81Å; V350-F367 VanDerWaalsContact N-O 3.14Å; V350-F367 PolarHBondContact O-N 2.72Å; V350-Y401 HydrophobicContact CG1-CD2 4.42Å; V350-Y401 HydrophobicContact CG1-CE2 4.05Å; V350-Y401 HydrophobicContact CG2-CE2 4.14Å; V350-Y401 WeakPolarHBondContact O-CD2 3.2Å
351	G	95.4	Very high	91.3	Very high	9 Å²	9	49.6 Å²	49.6	9%	0.093	27%	0.267	C	S	.	.	S	Bend	trans	66	21.4	-178.3	0	0	0	0	0	114	G297 Y401 G402	G297-G351 PolarHBondContact O-N 3.37Å; G351-Y401 VanDerWaalsContact CA-CE2 3.47Å; G351-G402 PolarHBondContact O-N 3.2Å
352	H	97.6	Very high	92.7	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.046	24%	0.237	C	C	.	.			trans	-86.1	167.1	173.1	61.1	-87.3	0	0	0	111	S299 F310 S349 V350 F364 L365	S299-H352 WeakPolarHBondContact CB-NE2 3.44Å; S299-H352 PolarHBondContact N-NE2 2.91Å; S299-H352 PolarHBondContact OG-CD2 2.96Å; S299-H352 VanDerWaalsContact OG-CD2 3.27Å; S299-H352 PolarHBondContact OG-NE2 2.88Å; F310-H352 AromaticContact CD1-CE1 3.97Å; F310-H352 AromaticContact CD1-NE2 3.42Å; F310-H352 WeakPolarHBondContact CD1-NE2 3.46Å; F310-H352 PolarHBondContact O-CE1 3.28Å; F310-H352 VanDerWaalsContact O-CE1 3.23Å; F310-H352 PolarHBondContact O-NE2 3Å; S349-H352 WeakPolarHBondContact CB-ND1 3.46Å; S349-H352 PolarHBondContact O-CE1 2.84Å; S349-H352 PolarHBondContact O-ND1 2.81Å; S349-H352 WeakPolarHBondContact OG-CB 3.32Å; S349-H352 VanDerWaalsContact OG-CG 3.31Å; S349-H352 PolarHBondContact OG-ND1 3.21Å; V350-H352 PolarHBondContact O-N 2.75Å; H352-F364 WeakPolarHBondContact CA-O 3.14Å; H352-F364 VanDerWaalsContact CB-O 3.31Å; H352-F364 WeakPolarHBondContact CB-O 3.47Å; H352-L365 VanDerWaalsContact CB-O 3.25Å; H352-L365 WeakPolarHBondContact CB-O 3.35Å
353	T	98	Very high	93.8	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.1	172	57.5	0	0	0	0	110.8	T363 F364 H403 S405	T353-T363 CarbonylContact O-C 3.59Å; T353-T363 WeakPolarHBondContact O-CA 3.33Å; T353-F364 PolarHBondContact N-O 2.87Å; T353-F364 PolarHBondContact O-N 3.05Å; T353-H403 WeakPolarHBondContact CG2-NE2 3.45Å; T353-H403 PolarHBondContact OG1-NE2 2.74Å; T353-S405 WeakPolarHBondContact CB-OG 3.34Å; T353-S405 WeakPolarHBondContact CG2-OG 3.47Å; T353-S405 PolarHBondContact OG1-OG 3.24Å
354	A	98.2	Very high	94.9	Very high	13 Å²	13	33.2 Å²	33.2	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149	179.1	0	0	0	0	0	112.4	S299 V301 M361 L362 T363	S299-A354 WeakPolarHBondContact OG-CB 3.49Å; V301-A354 HydrophobicContact CG1-CB 3.95Å; A354-M361 HydrophobicContact CB-CE 3.44Å; A354-M361 VanDerWaalsContact CB-CE 3.44Å; A354-M361 HydrophobicContact CB-CG 4.39Å; A354-L362 CarbonylContact C-O 3.56Å; A354-L362 WeakPolarHBondContact CA-O 3.21Å; A354-L362 WeakPolarHBondContact CB-O 3.47Å; A354-T363 HydrophobicContact CB-CG2 3.94Å
355	H	97.9	Very high	95.7	Very high	28 Å²	28	30 Å²	30	13%	0.13	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.5	-179.9	-66.3	-89	0	0	0	110.3	M361 L362 S405 L414	H355-M361 CarbonylContact O-C 3.46Å; H355-M361 WeakPolarHBondContact O-CA 3.23Å; H355-L362 PolarHBondContact N-O 3.26Å; H355-L362 PolarHBondContact O-N 2.9Å; H355-S405 PolarHBondContact NE2-O 2.96Å; H355-S405 PolarHBondContact NE2-OG 3.03Å; H355-L414 HydrophobicContact CB-CD1 4.4Å; H355-L414 HydrophobicContact CB-CD2 4.07Å; H355-L414 VanDerWaalsContact CD2-CD2 3.49Å; H355-L414 WeakPolarHBondContact CD2-CD2 3.19Å; H355-L414 VanDerWaalsContact CG-CD2 3.44Å
356	V	97.7	Very high	96.2	Very high	49 Å²	49	22.2 Å²	22.2	30%	0.297	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.1	172.7	174.3	0	0	0	0	108.5	V301 Y303 S360 F382	V301-V356 HydrophobicContact CB-CG2 3.72Å; V301-V356 HydrophobicContact CG1-CG2 4.23Å; V301-V356 HydrophobicContact CG2-CG2 3.78Å; Y303-V356 HydrophobicContact CD2-CG1 3.89Å; Y303-V356 HydrophobicContact CE2-CG1 4.5Å; V356-S360 CarbonylContact C-O 3.32Å; V356-S360 WeakPolarHBondContact CA-O 3.45Å; V356-F382 HydrophobicContact CG1-CE2 4.32Å; V356-F382 HydrophobicContact CG2-CE2 4.03Å; V356-F382 HydrophobicContact CG2-CZ 4.33Å
357	I	95.4	Very high	96.4	Very high	44 Å²	44	22.3 Å²	22.3	23%	0.226	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.9	178.3	-66.9	158	0	0	0	108	N359 S360 L362 L414 P439	I357-N359 PolarHBondContact O-N 2.73Å; I357-S360 PolarHBondContact N-O 2.85Å; I357-S360 PolarHBondContact O-N 2.83Å; I357-L362 HydrophobicContact CD1-CD1 3.8Å; I357-L414 HydrophobicContact CD1-CD1 3.69Å; I357-L414 HydrophobicContact CD1-CG 4.39Å; I357-P439 HydrophobicContact CD1-CB 3.76Å; I357-P439 HydrophobicContact CD1-CG 3.47Å; I357-P439 VanDerWaalsContact CD1-CG 3.47Å; I357-P439 HydrophobicContact CG2-CB 4.21Å
358	G	93.8	Very high	96.5	Very high	61 Å²	61	20.6 Å²	20.6	63%	0.629	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-119.3	-169.9	0	0	0	0	0	110.8
359	N	95.8	Very high	96.3	Very high	78 Å²	78	18.6 Å²	18.6	42%	0.417	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	17.7	-179.2	-55.8	-40.2	0	0	0	113.2	I357 F382 L383	I357-N359 PolarHBondContact O-N 2.73Å; N359-F382 WeakPolarHBondContact O-CD2 3.4Å; N359-F382 PolarHBondContact O-N 2.99Å; N359-L383 HydrophobicContact CB-CD1 3.98Å; N359-L383 HydrophobicContact CB-CG 3.89Å; N359-L383 WeakPolarHBondContact ND2-CD1 3.31Å
360	S	96.8	Very high	96.1	Very high	10 Å²	10	20.6 Å²	20.6	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.2	-178	-67.4	0	0	0	0	111.6	V356 I357 E379 Y380	V356-S360 CarbonylContact C-O 3.32Å; V356-S360 WeakPolarHBondContact CA-O 3.45Å; I357-S360 PolarHBondContact N-O 2.85Å; I357-S360 PolarHBondContact O-N 2.83Å; S360-E379 WeakPolarHBondContact CB-OE1 3.38Å; S360-E379 PolarHBondContact OG-OE1 3.23Å; S360-Y380 CarbonylContact C-O 3.58Å; S360-Y380 WeakPolarHBondContact CA-O 3.38Å
361	M	97.3	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.9	163.6	176.2	-176.8	-176.9	0	0	108.8	V301 F310 F323 A354 H355 T363 E379 Y380 F382	V301-M361 HydrophobicContact CG1-CE 4.14Å; V301-M361 HydrophobicContact CG2-CE 3.93Å; V301-M361 HydrophobicContact CG2-CG 4.1Å; V301-M361 HydrophobicContact CG2-SD 3.66Å; F310-M361 HydrophobicContact CB-CE 3.86Å; F323-M361 HydrophobicContact CE2-SD 3.88Å; F323-M361 HydrophobicContact CZ-SD 4.3Å; A354-M361 HydrophobicContact CB-CE 3.44Å; A354-M361 VanDerWaalsContact CB-CE 3.44Å; A354-M361 HydrophobicContact CB-CG 4.39Å; H355-M361 CarbonylContact O-C 3.46Å; H355-M361 WeakPolarHBondContact O-CA 3.23Å; M361-T363 HydrophobicContact CE-CG2 3.87Å; M361-T363 HydrophobicContact CG-CG2 4.37Å; M361-E379 CarbonylContact O-C 3.54Å; M361-E379 WeakPolarHBondContact O-CA 3.28Å; M361-Y380 PolarHBondContact N-O 3.48Å; M361-Y380 PolarHBondContact O-N 3.08Å; M361-F382 HydrophobicContact CB-CE2 3.71Å; M361-F382 HydrophobicContact CB-CZ 3.76Å
362	L	98	Very high	95.8	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.5	171.4	-61.3	-176	0	0	0	109.6	A354 H355 I357 F364 Q378 E379 Y437 P439	A354-L362 CarbonylContact C-O 3.56Å; A354-L362 WeakPolarHBondContact CA-O 3.21Å; A354-L362 WeakPolarHBondContact CB-O 3.47Å; H355-L362 PolarHBondContact N-O 3.26Å; H355-L362 PolarHBondContact O-N 2.9Å; I357-L362 HydrophobicContact CD1-CD1 3.8Å; L362-F364 HydrophobicContact CB-CD2 4.33Å; L362-F364 HydrophobicContact CB-CE2 3.38Å; L362-F364 HydrophobicContact CB-CZ 3.55Å; L362-F364 HydrophobicContact CD1-CE2 4.44Å; L362-F364 HydrophobicContact CD1-CZ 3.84Å; L362-F364 HydrophobicContact CG-CZ 4.34Å; L362-Q378 CarbonylContact C-O 3.59Å; L362-Q378 WeakPolarHBondContact CA-O 3.28Å; L362-E379 HydrophobicContact CD2-CB 3.57Å; L362-E379 HydrophobicContact CD2-CG 3.65Å; L362-Y437 HydrophobicContact CD1-CE1 4.2Å; L362-P439 HydrophobicContact CD1-CB 4.45Å
363	T	97.9	Very high	95.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	177.2	60.8	0	0	0	0	109.6	F310 T353 A354 M361 V377 Q378 W387	F310-T363 HydrophobicContact CD1-CG2 3.67Å; F310-T363 HydrophobicContact CE1-CG2 4.03Å; T353-T363 CarbonylContact O-C 3.59Å; T353-T363 WeakPolarHBondContact O-CA 3.33Å; A354-T363 HydrophobicContact CB-CG2 3.94Å; M361-T363 HydrophobicContact CE-CG2 3.87Å; M361-T363 HydrophobicContact CG-CG2 4.37Å; T363-V377 WeakPolarHBondContact O-CA 2.97Å; T363-Q378 PolarHBondContact N-O 2.83Å; T363-Q378 PolarHBondContact O-N 3.5Å; T363-Q378 WeakPolarHBondContact OG1-CB 3.29Å; T363-Q378 WeakPolarHBondContact OG1-CG 3.39Å; T363-Q378 PolarHBondContact OG1-O 3.29Å; T363-W387 HydrophobicContact CG2-CH2 4.47Å; T363-W387 HydrophobicContact CG2-CZ2 4.44Å
364	F	98.1	Very high	95.4	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.3	-166.8	-62	-90.4	0	0	0	112.3	H352 T353 L362 V377 H403 L414 F416 Y437 W444	H352-F364 WeakPolarHBondContact CA-O 3.14Å; H352-F364 VanDerWaalsContact CB-O 3.31Å; H352-F364 WeakPolarHBondContact CB-O 3.47Å; T353-F364 PolarHBondContact N-O 2.87Å; T353-F364 PolarHBondContact O-N 3.05Å; L362-F364 HydrophobicContact CB-CD2 4.33Å; L362-F364 HydrophobicContact CB-CE2 3.38Å; L362-F364 HydrophobicContact CB-CZ 3.55Å; L362-F364 HydrophobicContact CD1-CE2 4.44Å; L362-F364 HydrophobicContact CD1-CZ 3.84Å; L362-F364 HydrophobicContact CG-CZ 4.34Å; F364-V377 HydrophobicContact CD1-CB 4.39Å; F364-V377 HydrophobicContact CD1-CG1 3.96Å; F364-V377 HydrophobicContact CD1-CG2 3.68Å; F364-V377 HydrophobicContact CE1-CB 4.46Å; F364-V377 HydrophobicContact CE1-CG1 3.68Å; F364-V377 HydrophobicContact CE1-CG2 3.91Å; F364-V377 HydrophobicContact CZ-CG1 4.26Å; F364-H403 PolarHBondContact O-CE1 2.6Å; F364-L414 HydrophobicContact CE2-CD1 3.76Å; F364-L414 HydrophobicContact CZ-CD1 3.63Å; F364-F416 HydrophobicContact CB-CE1 3.45Å; F364-F416 VanDerWaalsContact CB-CE1 3.45Å; F364-F416 HydrophobicContact CB-CZ 3.85Å; F364-F416 HydrophobicContact CD1-CE1 4.04Å; F364-F416 HydrophobicContact CD1-CE2 4.45Å; F364-F416 AromaticContact CD1-CZ 3.56Å; F364-F416 HydrophobicContact CD1-CZ 3.56Å; F364-F416 HydrophobicContact CD2-CE1 4.09Å; F364-F416 AromaticContact CD2-CZ 3.73Å; F364-F416 HydrophobicContact CD2-CZ 3.73Å; F364-F416 AromaticContact CE1-CZ 3.95Å; F364-F416 HydrophobicContact CE1-CZ 3.95Å; F364-F416 HydrophobicContact CE2-CZ 4.08Å; F364-F416 AromaticContact CG-CE1 3.62Å; F364-F416 HydrophobicContact CG-CE1 3.62Å; F364-F416 AromaticContact CG-CZ 3.44Å; F364-F416 HydrophobicContact CG-CZ 3.44Å; F364-F416 VanDerWaalsContact CG-CZ 3.44Å; F364-F416 HydrophobicContact CZ-CZ 4.18Å; F364-Y437 AromaticContact CE1-CD1 3.69Å; F364-Y437 HydrophobicContact CE1-CD1 3.69Å; F364-Y437 AromaticContact CE1-CE1 3.64Å; F364-Y437 HydrophobicContact CE1-CE1 3.64Å; F364-Y437 HydrophobicContact CE1-CG 4.19Å; F364-Y437 AromaticContact CZ-CD1 3.84Å; F364-Y437 HydrophobicContact CZ-CD1 3.84Å; F364-Y437 AromaticContact CZ-CE1 3.74Å; F364-Y437 HydrophobicContact CZ-CE1 3.74Å; F364-W444 AromaticContact CD1-CH2 3.85Å; F364-W444 HydrophobicContact CD1-CH2 3.85Å; F364-W444 AromaticContact CD1-CZ2 3.75Å; F364-W444 HydrophobicContact CD1-CZ2 3.75Å; F364-W444 HydrophobicContact CE1-CH2 4.3Å; F364-W444 HydrophobicContact CE1-CZ2 4.07Å
365	L	96.7	Very high	95.2	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.047	16%	0.156	C	C	.	.			trans	53	-154.6	173.7	-34.2	175.4	0	0	0	112.2	S349 H352 V374 N375 P397 T400 F416	S349-L365 PolarHBondContact OG-O 3.02Å; H352-L365 VanDerWaalsContact CB-O 3.25Å; H352-L365 WeakPolarHBondContact CB-O 3.35Å; L365-V374 CarbonylContact C-O 3.48Å; L365-V374 WeakPolarHBondContact CA-O 3.1Å; L365-N375 HydrophobicContact CD2-CB 3.97Å; L365-P397 HydrophobicContact CD1-CG 4.46Å; L365-P397 HydrophobicContact CD2-CG 3.72Å; L365-T400 WeakPolarHBondContact CB-O 3.06Å; L365-F416 HydrophobicContact CD1-CD1 4.34Å
366	G	95.5	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.			trans	110.6	-161	179.5	0	0	0	0	0	113.1	V350 V374 T400	V350-G366 CarbonylContact O-C 3.59Å; V350-G366 WeakPolarHBondContact O-CA 3.34Å; G366-V374 PolarHBondContact N-O 3.28Å; G366-V374 PolarHBondContact O-N 2.89Å; G366-T400 WeakPolarHBondContact CA-O 2.78Å; G366-T400 PolarHBondContact N-O 3.15Å
367	F	95	Very high	94.8	Very high	16 Å²	16	25.7 Å²	25.7	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.5	-179	-171.1	-88.2	0	0	0	110.8	I319 S349 V350 G372 F373 Y401 A742 L745	I319-F367 HydrophobicContact CD1-CD1 3.65Å; I319-F367 HydrophobicContact CD1-CE1 4.01Å; S349-F367 WeakPolarHBondContact CA-O 3.38Å; V350-F367 HydrophobicContact CG1-CB 3.95Å; V350-F367 HydrophobicContact CG1-CD1 4.41Å; V350-F367 PolarHBondContact N-O 2.81Å; V350-F367 VanDerWaalsContact N-O 3.14Å; V350-F367 PolarHBondContact O-N 2.72Å; F367-G372 CarbonylContact C-O 3.55Å; F367-G372 WeakPolarHBondContact CA-O 3Å; F367-F373 AromaticContact CD2-CD1 3.98Å; F367-F373 HydrophobicContact CD2-CD1 3.98Å; F367-F373 HydrophobicContact CD2-CD2 4.05Å; F367-F373 HydrophobicContact CD2-CE1 4.03Å; F367-F373 HydrophobicContact CD2-CE2 4.08Å; F367-F373 AromaticContact CD2-CG 3.99Å; F367-F373 HydrophobicContact CD2-CG 3.99Å; F367-F373 HydrophobicContact CD2-CZ 4.07Å; F367-F373 HydrophobicContact CE2-CD2 4.03Å; F367-F373 AromaticContact CE2-CE2 3.88Å; F367-F373 HydrophobicContact CE2-CE2 3.88Å; F367-F373 HydrophobicContact CE2-CG 4.43Å; F367-F373 HydrophobicContact CE2-CZ 4.17Å; F367-Y401 HydrophobicContact CB-CD2 3.83Å; F367-A742 HydrophobicContact CE2-CB 3.97Å; F367-A742 HydrophobicContact CZ-CB 3.92Å; F367-L745 HydrophobicContact CB-CD1 4.35Å; F367-L745 HydrophobicContact CD1-CD1 4.2Å; F367-L745 HydrophobicContact CD2-CD1 3.45Å; F367-L745 VanDerWaalsContact CD2-CD1 3.45Å; F367-L745 HydrophobicContact CE1-CD1 4.37Å; F367-L745 HydrophobicContact CE2-CD1 3.65Å; F367-L745 HydrophobicContact CG-CD1 3.75Å; F367-L745 HydrophobicContact CZ-CD1 4.12Å
368	H	94.6	Very high	94.9	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.1	179.6	-174.6	-79.1	0	0	0	109.4	H348 L370 Y371 G372 V374	H348-H368 PolarHBondContact O-CD2 3.18Å; H368-L370 VanDerWaalsContact C-N 3.28Å; H368-L370 PolarHBondContact ND1-N 2.79Å; H368-L370 PolarHBondContact O-N 2.82Å; H368-Y371 HydrophobicContact CB-CD2 4.42Å; H368-Y371 AromaticContact CD2-CD2 3.95Å; H368-Y371 AromaticContact CE1-CD2 3.41Å; H368-Y371 VanDerWaalsContact CE1-CD2 3.41Å; H368-Y371 WeakPolarHBondContact CE1-CD2 3.41Å; H368-Y371 AromaticContact CE1-CE2 3.66Å; H368-Y371 AromaticContact CG-CD2 3.65Å; H368-Y371 AromaticContact ND1-CD2 3.26Å; H368-Y371 VanDerWaalsContact ND1-CD2 3.26Å; H368-Y371 WeakPolarHBondContact ND1-CD2 3.22Å; H368-Y371 AromaticContact ND1-CE2 3.99Å; H368-Y371 AromaticContact ND1-CG 3.78Å; H368-Y371 PolarHBondContact ND1-N 2.79Å; H368-Y371 AromaticContact NE2-CD2 3.85Å; H368-Y371 PolarHBondContact O-N 2.73Å; H368-G372 PolarHBondContact N-O 2.86Å; H368-G372 WeakPolarHBondContact O-CA 3.24Å; H368-G372 PolarHBondContact O-N 2.77Å; H368-V374 HydrophobicContact CB-CG1 3.64Å; H368-V374 HydrophobicContact CB-CG2 4.3Å
369	P	92	Very high	95	Very high	20 Å²	20	22 Å²	22	13%	0.13	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.5	-175.7	21.9	-32.9	0	0	0	113.7	I319 H348 S715	I319-P369 HydrophobicContact CB-CG 4.27Å; I319-P369 HydrophobicContact CD1-CB 4.22Å; H348-P369 HydrophobicContact CB-CG 4Å; P369-S715 PolarHBondContact O-OG 3.45Å
370	L	91.3	Very high	95	Very high	45 Å²	45	18.6 Å²	18.6	24%	0.236	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.6	-178.3	-48.2	179.3	0	0	0	114.2	H368 N658 H660 P713 L716	H368-L370 VanDerWaalsContact C-N 3.28Å; H368-L370 PolarHBondContact ND1-N 2.79Å; H368-L370 PolarHBondContact O-N 2.82Å; L370-N658 PolarHBondContact O-ND2 3.49Å; L370-H660 PolarHBondContact O-CD2 2.82Å; L370-P713 HydrophobicContact CD2-CB 4.09Å; L370-P713 HydrophobicContact CD2-CG 3.95Å; L370-L716 HydrophobicContact CD2-CD1 3.9Å; L370-L716 HydrophobicContact CD2-CD2 4.08Å; L370-L716 HydrophobicContact CD2-CG 3.9Å
371	Y	91.2	Very high	94.9	Very high	92 Å²	92	19.8 Å²	19.8	36%	0.361	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-4.4	-169.1	-57.7	-54.8	0	0	0	112.6	H368 H660 A661 T664	H368-Y371 HydrophobicContact CB-CD2 4.42Å; H368-Y371 AromaticContact CD2-CD2 3.95Å; H368-Y371 AromaticContact CE1-CD2 3.41Å; H368-Y371 VanDerWaalsContact CE1-CD2 3.41Å; H368-Y371 WeakPolarHBondContact CE1-CD2 3.41Å; H368-Y371 AromaticContact CE1-CE2 3.66Å; H368-Y371 AromaticContact CG-CD2 3.65Å; H368-Y371 AromaticContact ND1-CD2 3.26Å; H368-Y371 VanDerWaalsContact ND1-CD2 3.26Å; H368-Y371 WeakPolarHBondContact ND1-CD2 3.22Å; H368-Y371 AromaticContact ND1-CE2 3.99Å; H368-Y371 AromaticContact ND1-CG 3.78Å; H368-Y371 PolarHBondContact ND1-N 2.79Å; H368-Y371 AromaticContact NE2-CD2 3.85Å; H368-Y371 PolarHBondContact O-N 2.73Å; Y371-H660 AromaticContact CE1-CD2 3.78Å; Y371-H660 AromaticContact CE1-NE2 3.88Å; Y371-A661 HydrophobicContact CD1-CB 4.09Å; Y371-T664 HydrophobicContact CE1-CG2 4.19Å
372	G	92.7	Very high	94.8	Very high	4 Å²	4	20.7 Å²	20.7	4%	0.041	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	-137.8	-174.7	0	0	0	0	0	111.7	F367 H368 V374	F367-G372 CarbonylContact C-O 3.55Å; F367-G372 WeakPolarHBondContact CA-O 3Å; H368-G372 PolarHBondContact N-O 2.86Å; H368-G372 WeakPolarHBondContact O-CA 3.24Å; H368-G372 PolarHBondContact O-N 2.77Å; G372-V374 PolarHBondContact O-N 2.85Å
373	F	93.8	Very high	94.6	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.057	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.6	179.8	-60.6	-92.7	0	0	0	111	F367 G399 F420 A422 L745	F367-F373 AromaticContact CD2-CD1 3.98Å; F367-F373 HydrophobicContact CD2-CD1 3.98Å; F367-F373 HydrophobicContact CD2-CD2 4.05Å; F367-F373 HydrophobicContact CD2-CE1 4.03Å; F367-F373 HydrophobicContact CD2-CE2 4.08Å; F367-F373 AromaticContact CD2-CG 3.99Å; F367-F373 HydrophobicContact CD2-CG 3.99Å; F367-F373 HydrophobicContact CD2-CZ 4.07Å; F367-F373 HydrophobicContact CE2-CD2 4.03Å; F367-F373 AromaticContact CE2-CE2 3.88Å; F367-F373 HydrophobicContact CE2-CE2 3.88Å; F367-F373 HydrophobicContact CE2-CG 4.43Å; F367-F373 HydrophobicContact CE2-CZ 4.17Å; F373-G399 WeakPolarHBondContact CB-O 3.39Å; F373-F420 AromaticContact CE1-CD1 3.85Å; F373-F420 HydrophobicContact CE1-CD1 3.85Å; F373-F420 WeakPolarHBondContact CE1-O 3.17Å; F373-F420 AromaticContact CZ-CD1 3.73Å; F373-F420 HydrophobicContact CZ-CD1 3.73Å; F373-F420 AromaticContact CZ-CE1 3.97Å; F373-F420 HydrophobicContact CZ-CE1 3.97Å; F373-A422 HydrophobicContact CD2-CB 3.66Å; F373-A422 HydrophobicContact CE2-CB 3.8Å; F373-L745 HydrophobicContact CE1-CD1 4.29Å; F373-L745 HydrophobicContact CZ-CD1 4.09Å
374	V	93.4	Very high	94.2	Very high	29 Å²	29	29.9 Å²	29.9	18%	0.176	16%	0.157	C	C	.	.			trans	-112.1	147	-176.4	-68.1	0	0	0	0	111.4	L365 G366 H368 G372 G399	L365-V374 CarbonylContact C-O 3.48Å; L365-V374 WeakPolarHBondContact CA-O 3.1Å; G366-V374 PolarHBondContact N-O 3.28Å; G366-V374 PolarHBondContact O-N 2.89Å; H368-V374 HydrophobicContact CB-CG1 3.64Å; H368-V374 HydrophobicContact CB-CG2 4.3Å; G372-V374 PolarHBondContact O-N 2.85Å; V374-G399 VanDerWaalsContact O-CA 3.28Å; V374-G399 WeakPolarHBondContact O-CA 3.32Å
375	N	93.5	Very high	93.9	Very high	48 Å²	48	31.7 Å²	31.7	26%	0.257	17%	0.17	S	C	.	.			trans	-112.5	4.9	175.1	64.9	-10.3	0	0	0	113.6	L365 P397	L365-N375 HydrophobicContact CD2-CB 3.97Å; N375-P397 WeakPolarHBondContact CB-O 3.27Å; N375-P397 PolarHBondContact ND2-O 3.17Å
376	A	91.6	Very high	93.7	Very high	43 Å²	43	33.8 Å²	33.8	36%	0.355	18%	0.184	S	C	.	.			trans	-61.7	138.7	-178.5	0	0	0	0	0	111.5	T389	A376-T389 HydrophobicContact CB-CG2 4.41Å
377	V	96.9	Very high	93.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.6	170.4	-178.7	0	0	0	0	108	T363 F364 V390 T392 W444	T363-V377 WeakPolarHBondContact O-CA 2.97Å; F364-V377 HydrophobicContact CD1-CB 4.39Å; F364-V377 HydrophobicContact CD1-CG1 3.96Å; F364-V377 HydrophobicContact CD1-CG2 3.68Å; F364-V377 HydrophobicContact CE1-CB 4.46Å; F364-V377 HydrophobicContact CE1-CG1 3.68Å; F364-V377 HydrophobicContact CE1-CG2 3.91Å; F364-V377 HydrophobicContact CZ-CG1 4.26Å; V377-V390 HydrophobicContact CB-CB 4.09Å; V377-V390 HydrophobicContact CG1-CB 4.01Å; V377-V390 HydrophobicContact CG1-CG2 4.35Å; V377-V390 PolarHBondContact O-N 3.33Å; V377-T392 HydrophobicContact CB-CG2 4.2Å; V377-T392 HydrophobicContact CG2-CG2 3.84Å; V377-W444 HydrophobicContact CG2-CZ2 3.99Å
378	Q	96.6	Very high	93.4	Very high	11 Å²	11	37.2 Å²	37.2	5%	0.051	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.5	175.2	-27	177.5	49.6	0	0	110.4	S347 L362 T363 W387 K388	S347-Q378 PolarHBondContact O-NE2 2.87Å; L362-Q378 CarbonylContact C-O 3.59Å; L362-Q378 WeakPolarHBondContact CA-O 3.28Å; T363-Q378 PolarHBondContact N-O 2.83Å; T363-Q378 PolarHBondContact O-N 3.5Å; T363-Q378 WeakPolarHBondContact OG1-CB 3.29Å; T363-Q378 WeakPolarHBondContact OG1-CG 3.39Å; T363-Q378 PolarHBondContact OG1-O 3.29Å; Q378-W387 HydrophobicContact CB-CZ2 4.04Å; Q378-W387 VanDerWaalsContact CB-NE1 3.33Å; Q378-K388 WeakPolarHBondContact CA-O 3.17Å
379	E	96.1	Very high	93.4	Very high	18 Å²	18	40.9 Å²	40.9	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	-179.1	178.6	178.4	-177.8	0	0	109.8	S360 M361 L362 W387 K388 V390 R442	S360-E379 WeakPolarHBondContact CB-OE1 3.38Å; S360-E379 PolarHBondContact OG-OE1 3.23Å; M361-E379 CarbonylContact O-C 3.54Å; M361-E379 WeakPolarHBondContact O-CA 3.28Å; L362-E379 HydrophobicContact CD2-CB 3.57Å; L362-E379 HydrophobicContact CD2-CG 3.65Å; E379-W387 CarbonylContact O-C 3.39Å; E379-W387 WeakPolarHBondContact O-CA 2.95Å; E379-K388 HydrophobicContact CB-CG 4.19Å; E379-K388 PolarHBondContact N-O 3.01Å; E379-K388 PolarHBondContact O-N 2.03Å; E379-K388 WeakPolarHBondContact OE2-CE 3.17Å; E379-K388 IonicContact OE2-NZ 2.78Å; E379-K388 PolarHBondContact OE2-NZ 2.87Å; E379-V390 HydrophobicContact CB-CG2 3.46Å; E379-V390 VanDerWaalsContact CB-CG2 3.46Å; E379-V390 HydrophobicContact CG-CG2 4.49Å; E379-R442 IonicContact OE1-NH2 2.69Å; E379-R442 IonicContact OE2-CZ 3.01Å; E379-R442 IonicContact OE2-NH2 3.76Å; E379-R442 PolarHBondContact OE2-NH2 3.24Å
380	Y	96.1	Very high	93.5	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.5	165.6	-180	-104.3	0	0	0	109.9	F323 V336 S360 M361 F382 S385 T386 W387	F323-Y380 HydrophobicContact CD1-CE2 4.49Å; F323-Y380 AromaticContact CE1-CD1 3.66Å; F323-Y380 HydrophobicContact CE1-CD1 3.66Å; F323-Y380 AromaticContact CE1-CD2 3.98Å; F323-Y380 HydrophobicContact CE1-CD2 3.98Å; F323-Y380 AromaticContact CE1-CE1 3.54Å; F323-Y380 HydrophobicContact CE1-CE1 3.54Å; F323-Y380 AromaticContact CE1-CE2 3.85Å; F323-Y380 HydrophobicContact CE1-CE2 3.85Å; F323-Y380 AromaticContact CE1-CG 3.86Å; F323-Y380 HydrophobicContact CE1-CG 3.86Å; F323-Y380 AromaticContact CE1-CZ 3.63Å; F323-Y380 AromaticContact CZ-CD1 3.68Å; F323-Y380 HydrophobicContact CZ-CD1 3.68Å; F323-Y380 AromaticContact CZ-CE1 3.85Å; F323-Y380 HydrophobicContact CZ-CE1 3.85Å; F323-Y380 HydrophobicContact CZ-CG 4.11Å; V336-Y380 WeakPolarHBondContact CG1-OH 2.94Å; S360-Y380 CarbonylContact C-O 3.58Å; S360-Y380 WeakPolarHBondContact CA-O 3.38Å; M361-Y380 PolarHBondContact N-O 3.48Å; M361-Y380 PolarHBondContact O-N 3.08Å; Y380-F382 AromaticContact CD1-CD1 3.94Å; Y380-F382 HydrophobicContact CD1-CD1 3.94Å; Y380-F382 HydrophobicContact CD1-CE1 4.02Å; Y380-F382 HydrophobicContact CD1-CG 4.28Å; Y380-F382 HydrophobicContact CD1-CZ 4.44Å; Y380-F382 AromaticContact CE1-CD1 3.63Å; Y380-F382 HydrophobicContact CE1-CD1 3.63Å; Y380-F382 HydrophobicContact CE1-CE1 4.01Å; Y380-F382 HydrophobicContact CE1-CG 4.17Å; Y380-S385 WeakPolarHBondContact OH-CA 3.19Å; Y380-S385 WeakPolarHBondContact OH-CB 3.38Å; Y380-S385 PolarHBondContact OH-OG 3.43Å; Y380-T386 CarbonylContact C-O 3.54Å; Y380-T386 WeakPolarHBondContact CA-O 3.08Å; Y380-T386 WeakPolarHBondContact CD2-O 3.38Å; Y380-W387 HydrophobicContact CD2-CB 4.35Å; Y380-W387 HydrophobicContact CD2-CD2 4.28Å; Y380-W387 AromaticContact CD2-CE3 3.44Å; Y380-W387 HydrophobicContact CD2-CE3 3.44Å; Y380-W387 VanDerWaalsContact CD2-CE3 3.44Å; Y380-W387 HydrophobicContact CD2-CZ3 4.07Å; Y380-W387 HydrophobicContact CE2-CE3 4.42Å; Y380-W387 AromaticContact CG-CE3 3.77Å; Y380-W387 HydrophobicContact CG-CE3 3.77Å; Y380-W387 AromaticContact CG-CZ3 3.98Å; Y380-W387 HydrophobicContact CG-CZ3 3.98Å
381	N	94.8	Very high	93.5	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120	176.5	179.9	-58.2	0	0	0	110.2	L383 N384 S385 T386	N381-L383 VanDerWaalsContact C-N 3.31Å; N381-L383 PolarHBondContact O-N 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.19Å; N381-L383 PolarHBondContact OD1-N 3.25Å; N381-N384 VanDerWaalsContact CB-OD1 3.23Å; N381-N384 WeakPolarHBondContact CB-OD1 3.16Å; N381-N384 PolarHBondContact O-OD1 2.91Å; N381-N384 PolarHBondContact OD1-N 2.04Å; N381-N384 PolarHBondContact OD1-OD1 2.98Å; N381-S385 VanDerWaalsContact O-CA 3.26Å; N381-S385 WeakPolarHBondContact O-CA 3.28Å; N381-S385 PolarHBondContact O-N 3.31Å; N381-T386 PolarHBondContact N-O 2.93Å
382	F	95.1	Very high	93.6	Very high	20 Å²	20	42 Å²	42	9%	0.088	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23	-174.8	-69.6	-78	0	0	0	113.9	V301 Y303 Y308 V356 N359 M361 Y380	V301-F382 HydrophobicContact CG2-CZ 4.45Å; Y303-F382 HydrophobicContact CD1-CB 3.87Å; Y303-F382 AromaticContact CD1-CD1 3.55Å; Y303-F382 HydrophobicContact CD1-CD1 3.55Å; Y303-F382 AromaticContact CD1-CD2 3.92Å; Y303-F382 HydrophobicContact CD1-CD2 3.92Å; Y303-F382 HydrophobicContact CD1-CE1 4.01Å; Y303-F382 HydrophobicContact CD1-CE2 4.33Å; Y303-F382 AromaticContact CD1-CG 3.52Å; Y303-F382 HydrophobicContact CD1-CG 3.52Å; Y303-F382 HydrophobicContact CD1-CZ 4.38Å; Y303-F382 AromaticContact CD2-CD2 3.6Å; Y303-F382 HydrophobicContact CD2-CD2 3.6Å; Y303-F382 AromaticContact CD2-CE2 3.77Å; Y303-F382 HydrophobicContact CD2-CE2 3.77Å; Y303-F382 HydrophobicContact CD2-CG 4.08Å; Y303-F382 HydrophobicContact CD2-CZ 4.37Å; Y303-F382 HydrophobicContact CE1-CB 3.31Å; Y303-F382 AromaticContact CE1-CD1 3.95Å; Y303-F382 HydrophobicContact CE1-CD1 3.95Å; Y303-F382 HydrophobicContact CE1-CD2 4.02Å; Y303-F382 AromaticContact CE1-CG 3.52Å; Y303-F382 HydrophobicContact CE1-CG 3.52Å; Y303-F382 HydrophobicContact CE2-CB 4.19Å; Y303-F382 AromaticContact CE2-CD2 3.68Å; Y303-F382 HydrophobicContact CE2-CD2 3.68Å; Y303-F382 HydrophobicContact CE2-CE2 4.3Å; Y303-F382 HydrophobicContact CE2-CG 4.06Å; Y303-F382 AromaticContact CG-CD1 3.93Å; Y303-F382 HydrophobicContact CG-CD1 3.93Å; Y303-F382 AromaticContact CG-CD2 3.7Å; Y303-F382 HydrophobicContact CG-CD2 3.7Å; Y303-F382 AromaticContact CG-CE1 3.99Å; Y303-F382 HydrophobicContact CG-CE1 3.99Å; Y303-F382 AromaticContact CG-CE2 3.76Å; Y303-F382 HydrophobicContact CG-CE2 3.76Å; Y303-F382 AromaticContact CG-CG 3.8Å; Y303-F382 HydrophobicContact CG-CG 3.8Å; Y303-F382 AromaticContact CG-CZ 3.91Å; Y303-F382 HydrophobicContact CG-CZ 3.91Å; Y303-F382 VanDerWaalsContact CZ-CB 3.48Å; Y303-F382 AromaticContact CZ-CD2 3.89Å; Y303-F382 AromaticContact CZ-CG 3.78Å; Y308-F382 AromaticContact CD1-CE1 3.89Å; Y308-F382 HydrophobicContact CD1-CE1 3.89Å; Y308-F382 AromaticContact CD2-CE1 3.88Å; Y308-F382 HydrophobicContact CD2-CE1 3.88Å; Y308-F382 HydrophobicContact CD2-CZ 4.43Å; Y308-F382 HydrophobicContact CE1-CD1 4.28Å; Y308-F382 AromaticContact CE1-CE1 3.88Å; Y308-F382 HydrophobicContact CE1-CE1 3.88Å; Y308-F382 HydrophobicContact CE2-CD1 4.43Å; Y308-F382 AromaticContact CE2-CE1 3.9Å; Y308-F382 HydrophobicContact CE2-CE1 3.9Å; Y308-F382 AromaticContact CG-CE1 3.88Å; Y308-F382 HydrophobicContact CG-CE1 3.88Å; Y308-F382 HydrophobicContact CG-CZ 4.47Å; Y308-F382 AromaticContact CZ-CE1 3.89Å; V356-F382 HydrophobicContact CG1-CE2 4.32Å; V356-F382 HydrophobicContact CG2-CE2 4.03Å; V356-F382 HydrophobicContact CG2-CZ 4.33Å; N359-F382 WeakPolarHBondContact O-CD2 3.4Å; N359-F382 PolarHBondContact O-N 2.99Å; M361-F382 HydrophobicContact CB-CE2 3.71Å; M361-F382 HydrophobicContact CB-CZ 3.76Å; Y380-F382 AromaticContact CD1-CD1 3.94Å; Y380-F382 HydrophobicContact CD1-CD1 3.94Å; Y380-F382 HydrophobicContact CD1-CE1 4.02Å; Y380-F382 HydrophobicContact CD1-CG 4.28Å; Y380-F382 HydrophobicContact CD1-CZ 4.44Å; Y380-F382 AromaticContact CE1-CD1 3.63Å; Y380-F382 HydrophobicContact CE1-CD1 3.63Å; Y380-F382 HydrophobicContact CE1-CE1 4.01Å; Y380-F382 HydrophobicContact CE1-CG 4.17Å
383	L	93.5	Very high	93.6	Very high	119 Å²	119	43.8 Å²	43.8	62%	0.623	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-45.4	-177.6	-61.9	-179	0	0	0	112.2	N359 N381	N359-L383 HydrophobicContact CB-CD1 3.98Å; N359-L383 HydrophobicContact CB-CG 3.89Å; N359-L383 WeakPolarHBondContact ND2-CD1 3.31Å; N381-L383 VanDerWaalsContact C-N 3.31Å; N381-L383 PolarHBondContact O-N 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.19Å; N381-L383 PolarHBondContact OD1-N 3.25Å
384	N	90.8	Very high	93.4	Very high	86 Å²	86	43.3 Å²	43.3	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1	-177.7	68.9	7.5	0	0	0	113.2	N381 T386	N381-N384 VanDerWaalsContact CB-OD1 3.23Å; N381-N384 WeakPolarHBondContact CB-OD1 3.16Å; N381-N384 PolarHBondContact O-OD1 2.91Å; N381-N384 PolarHBondContact OD1-N 2.04Å; N381-N384 PolarHBondContact OD1-OD1 2.98Å; N384-T386 HydrophobicContact CB-CG2 4.29Å; N384-T386 PolarHBondContact ND2-OG1 3.04Å; N384-T386 VanDerWaalsContact ND2-OG1 3.14Å; N384-T386 PolarHBondContact O-N 3Å; N384-T386 WeakPolarHBondContact OD1-CB 3.47Å; N384-T386 WeakPolarHBondContact OD1-CG2 3.3Å; N384-T386 PolarHBondContact OD1-N 3.48Å; N384-T386 PolarHBondContact OD1-OG1 3.19Å
385	S	91.2	Very high	93.4	Very high	39 Å²	39	42 Å²	42	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36	-178.9	-53.3	0	0	0	0	113.8	P339 Y380 N381	P339-S385 WeakPolarHBondContact CD-O 3.36Å; Y380-S385 WeakPolarHBondContact OH-CA 3.19Å; Y380-S385 WeakPolarHBondContact OH-CB 3.38Å; Y380-S385 PolarHBondContact OH-OG 3.43Å; N381-S385 VanDerWaalsContact O-CA 3.26Å; N381-S385 WeakPolarHBondContact O-CA 3.28Å; N381-S385 PolarHBondContact O-N 3.31Å
386	T	91.7	Very high	93.3	Very high	53 Å²	53	41.5 Å²	41.5	33%	0.325	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.5	179.2	61.1	0	0	0	0	111.7	Y380 N381 N384	Y380-T386 CarbonylContact C-O 3.54Å; Y380-T386 WeakPolarHBondContact CA-O 3.08Å; Y380-T386 WeakPolarHBondContact CD2-O 3.38Å; N381-T386 PolarHBondContact N-O 2.93Å; N384-T386 HydrophobicContact CB-CG2 4.29Å; N384-T386 PolarHBondContact ND2-OG1 3.04Å; N384-T386 VanDerWaalsContact ND2-OG1 3.14Å; N384-T386 PolarHBondContact O-N 3Å; N384-T386 WeakPolarHBondContact OD1-CB 3.47Å; N384-T386 WeakPolarHBondContact OD1-CG2 3.3Å; N384-T386 PolarHBondContact OD1-N 3.48Å; N384-T386 PolarHBondContact OD1-OG1 3.19Å
387	W	92.9	Very high	93.4	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.8	172.7	-159.8	-73	0	0	0	109.3	F310 F323 P344 P346 T363 Q378 E379 Y380	F310-W387 HydrophobicContact CD1-CH2 4.02Å; F310-W387 HydrophobicContact CD1-CZ2 4.29Å; F310-W387 AromaticContact CD2-CH2 3.67Å; F310-W387 HydrophobicContact CD2-CH2 3.67Å; F310-W387 HydrophobicContact CD2-CZ2 4.34Å; F310-W387 HydrophobicContact CD2-CZ3 4.35Å; F310-W387 AromaticContact CE1-CH2 3.95Å; F310-W387 HydrophobicContact CE1-CH2 3.95Å; F310-W387 AromaticContact CE1-CZ2 3.79Å; F310-W387 HydrophobicContact CE1-CZ2 3.79Å; F310-W387 AromaticContact CE2-CH2 3.63Å; F310-W387 HydrophobicContact CE2-CH2 3.63Å; F310-W387 AromaticContact CE2-CZ2 3.88Å; F310-W387 HydrophobicContact CE2-CZ2 3.88Å; F310-W387 HydrophobicContact CE2-CZ3 4.4Å; F310-W387 AromaticContact CG-CH2 3.87Å; F310-W387 HydrophobicContact CG-CH2 3.87Å; F310-W387 AromaticContact CZ-CH2 3.75Å; F310-W387 HydrophobicContact CZ-CH2 3.75Å; F310-W387 AromaticContact CZ-CZ2 3.55Å; F310-W387 HydrophobicContact CZ-CZ2 3.55Å; F323-W387 HydrophobicContact CB-CZ3 4.49Å; F323-W387 HydrophobicContact CD1-CE3 4.33Å; F323-W387 AromaticContact CD1-CZ3 3.82Å; F323-W387 HydrophobicContact CD1-CZ3 3.82Å; F323-W387 HydrophobicContact CD2-CZ3 4.12Å; F323-W387 HydrophobicContact CE1-CZ3 4.01Å; F323-W387 HydrophobicContact CE2-CZ3 4.28Å; F323-W387 AromaticContact CG-CZ3 3.9Å; F323-W387 HydrophobicContact CG-CZ3 3.9Å; F323-W387 HydrophobicContact CZ-CZ3 4.24Å; P344-W387 WeakPolarHBondContact CB-O 3.38Å; P346-W387 HydrophobicContact CB-CD2 3.8Å; P346-W387 HydrophobicContact CB-CE3 4.06Å; P346-W387 HydrophobicContact CB-CG 4.33Å; P346-W387 HydrophobicContact CB-CH2 4.18Å; P346-W387 HydrophobicContact CB-CZ2 3.85Å; P346-W387 HydrophobicContact CB-CZ3 4.26Å; P346-W387 HydrophobicContact CG-CD2 4.47Å; P346-W387 HydrophobicContact CG-CE3 4.48Å; T363-W387 HydrophobicContact CG2-CH2 4.47Å; T363-W387 HydrophobicContact CG2-CZ2 4.44Å; Q378-W387 HydrophobicContact CB-CZ2 4.04Å; Q378-W387 VanDerWaalsContact CB-NE1 3.33Å; E379-W387 CarbonylContact O-C 3.39Å; E379-W387 WeakPolarHBondContact O-CA 2.95Å; Y380-W387 HydrophobicContact CD2-CB 4.35Å; Y380-W387 HydrophobicContact CD2-CD2 4.28Å; Y380-W387 AromaticContact CD2-CE3 3.44Å; Y380-W387 HydrophobicContact CD2-CE3 3.44Å; Y380-W387 VanDerWaalsContact CD2-CE3 3.44Å; Y380-W387 HydrophobicContact CD2-CZ3 4.07Å; Y380-W387 HydrophobicContact CE2-CE3 4.42Å; Y380-W387 AromaticContact CG-CE3 3.77Å; Y380-W387 HydrophobicContact CG-CE3 3.77Å; Y380-W387 AromaticContact CG-CZ3 3.98Å; Y380-W387 HydrophobicContact CG-CZ3 3.98Å
388	K	92.5	Very high	93.1	Very high	86 Å²	86	42.9 Å²	42.9	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.1	174.6	65.4	-175.1	179.6	-173.3	0	111.9	Q378 E379	Q378-K388 WeakPolarHBondContact CA-O 3.17Å; E379-K388 HydrophobicContact CB-CG 4.19Å; E379-K388 PolarHBondContact N-O 3.01Å; E379-K388 PolarHBondContact O-N 2.03Å; E379-K388 WeakPolarHBondContact OE2-CE 3.17Å; E379-K388 IonicContact OE2-NZ 2.78Å; E379-K388 PolarHBondContact OE2-NZ 2.87Å
389	T	93.1	Very high	92.9	Very high	88 Å²	88	42.7 Å²	42.7	54%	0.54	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.6	165.7	-54.1	0	0	0	0	109.5	A376	A376-T389 HydrophobicContact CB-CG2 4.41Å
390	V	94	Very high	92.9	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.1	179.9	175.7	0	0	0	0	109.2	V377 E379 T392 R442	V377-V390 HydrophobicContact CB-CB 4.09Å; V377-V390 HydrophobicContact CG1-CB 4.01Å; V377-V390 HydrophobicContact CG1-CG2 4.35Å; V377-V390 PolarHBondContact O-N 3.33Å; E379-V390 HydrophobicContact CB-CG2 3.46Å; E379-V390 VanDerWaalsContact CB-CG2 3.46Å; E379-V390 HydrophobicContact CG-CG2 4.49Å; V390-T392 HydrophobicContact CG1-CG2 4.01Å; V390-R442 HydrophobicContact CG1-CG 4.26Å
391	H	92.1	Very high	92.8	Very high	156 Å²	156	42.3 Å²	42.3	72%	0.722	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-70.6	131.3	167	-172.6	66.1	0	0	0	109.4
392	T	93.1	Very high	92.7	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.11	22%	0.22	C	C	.	.			trans	-127.6	151.8	-179.6	61.6	0	0	0	0	110	V377 V390 Y437 R442 W444	V377-T392 HydrophobicContact CB-CG2 4.2Å; V377-T392 HydrophobicContact CG2-CG2 3.84Å; V390-T392 HydrophobicContact CG1-CG2 4.01Å; T392-Y437 HydrophobicContact CG2-CE2 3.81Å; T392-R442 WeakPolarHBondContact CA-O 3.37Å; T392-R442 WeakPolarHBondContact CB-O 3.08Å; T392-W444 PolarHBondContact OG1-NE1 2.86Å
393	T	91.9	Very high	92.7	Very high	41 Å²	41	40.7 Å²	40.7	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	174.4	-178.2	54.2	0	0	0	0	110.9	R442 Q443 W444	T393-R442 PolarHBondContact N-O 2.93Å; T393-R442 VanDerWaalsContact N-O 3.14Å; T393-Q443 WeakPolarHBondContact O-CA 3.02Å; T393-Q443 WeakPolarHBondContact OG1-CG 3.26Å; T393-W444 PolarHBondContact O-N 2.96Å
394	G	91.4	Very high	92.8	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-144.9	-179.3	0	0	0	0	0	113.4	V396 A615 S619	G394-V396 PolarHBondContact O-N 2.84Å; G394-A615 WeakPolarHBondContact O-CB 3.49Å; G394-S619 WeakPolarHBondContact CA-OG 3.11Å
395	A	91.8	Very high	93.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-76.7	65.2	-178.7	0	0	0	0	0	112	P397 Y435 W444 L446 T616	A395-P397 WeakPolarHBondContact O-CD 3.28Å; A395-Y435 HydrophobicContact CB-CE1 4.29Å; A395-Y435 WeakPolarHBondContact O-CD1 3.42Å; A395-Y435 WeakPolarHBondContact O-CE1 3.41Å; A395-W444 PolarHBondContact N-O 2.98Å; A395-W444 WeakPolarHBondContact O-CB 3.48Å; A395-L446 HydrophobicContact CB-CB 3.96Å; A395-T616 HydrophobicContact CB-CG2 3.9Å
396	V	91.8	Very high	93.4	Very high	38 Å²	38	29.8 Å²	29.8	23%	0.23	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-62.3	121.9	-176.4	-177.5	0	0	0	0	109.7	G394	G394-V396 PolarHBondContact O-N 2.84Å
397	P	93	Very high	93.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.013	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-66	155.9	-178.9	27.5	-35.9	0	0	0	111.5	L365 N375 A395 Y435 W444	L365-P397 HydrophobicContact CD1-CG 4.46Å; L365-P397 HydrophobicContact CD2-CG 3.72Å; N375-P397 WeakPolarHBondContact CB-O 3.27Å; N375-P397 PolarHBondContact ND2-O 3.17Å; A395-P397 WeakPolarHBondContact O-CD 3.28Å; P397-Y435 HydrophobicContact CB-CD1 4.35Å; P397-Y435 HydrophobicContact CB-CD2 4.11Å; P397-Y435 HydrophobicContact CB-CE1 4.05Å; P397-Y435 HydrophobicContact CB-CE2 3.77Å; P397-Y435 HydrophobicContact CB-CG 4.38Å; P397-W444 HydrophobicContact CG-CD2 4.24Å; P397-W444 HydrophobicContact CG-CE3 4.14Å; P397-W444 HydrophobicContact CG-CH2 4.22Å; P397-W444 HydrophobicContact CG-CZ2 4.31Å; P397-W444 HydrophobicContact CG-CZ3 4.12Å
398	R	91.6	Very high	93.7	Very high	72 Å²	72	30.3 Å²	30.3	27%	0.272	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-68.6	157.1	165	-65.1	-170.1	-175.6	-161.8	3.2	110.1	T400 F655 Y657	R398-T400 PolarHBondContact O-N 3Å; R398-T400 PolarHBondContact O-OG1 3.3Å; R398-F655 HydrophobicContact CG-CD1 3.9Å; R398-F655 HydrophobicContact CG-CE1 3.64Å; R398-F655 HydrophobicContact CG-CE2 4.38Å; R398-F655 HydrophobicContact CG-CG 4.41Å; R398-F655 HydrophobicContact CG-CZ 3.89Å; R398-Y657 PolarHBondContact NH1-OH 2.78Å
399	G	92.8	Very high	93.5	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-55	129.2	175.9	0	0	0	0	0	111	F373 V374 R421	F373-G399 WeakPolarHBondContact CB-O 3.39Å; V374-G399 VanDerWaalsContact O-CA 3.28Å; V374-G399 WeakPolarHBondContact O-CA 3.32Å; G399-R421 VanDerWaalsContact O-CB 3.24Å; G399-R421 WeakPolarHBondContact O-CB 3.32Å
400	T	94.9	Very high	93.2	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	16%	0.158	C	C	.	.			trans	-142.8	135	-171.4	-56	0	0	0	0	110.7	L365 G366 R398 H403 F420 V431	L365-T400 WeakPolarHBondContact CB-O 3.06Å; G366-T400 WeakPolarHBondContact CA-O 2.78Å; G366-T400 PolarHBondContact N-O 3.15Å; R398-T400 PolarHBondContact O-N 3Å; R398-T400 PolarHBondContact O-OG1 3.3Å; T400-H403 HydrophobicContact CG2-CB 4.05Å; T400-H403 PolarHBondContact O-ND1 3.08Å; T400-F420 WeakPolarHBondContact CA-O 3.47Å; T400-V431 HydrophobicContact CG2-CG2 4.4Å
401	Y	94	Very high	93	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.027	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-112.5	145.4	179	170.2	-82.1	0	0	0	111.1	V350 G351 F367 H403 G419 F420 F455 L456 L745	V350-Y401 HydrophobicContact CG1-CD2 4.42Å; V350-Y401 HydrophobicContact CG1-CE2 4.05Å; V350-Y401 HydrophobicContact CG2-CE2 4.14Å; V350-Y401 WeakPolarHBondContact O-CD2 3.2Å; G351-Y401 VanDerWaalsContact CA-CE2 3.47Å; F367-Y401 HydrophobicContact CB-CD2 3.83Å; Y401-H403 PolarHBondContact O-N 3.31Å; Y401-G419 CarbonylContact O-C 3.07Å; Y401-G419 WeakPolarHBondContact O-CA 3.1Å; Y401-F420 PolarHBondContact N-O 3.37Å; Y401-F420 PolarHBondContact O-N 2.64Å; Y401-F455 AromaticContact CD1-CE2 3.59Å; Y401-F455 HydrophobicContact CD1-CE2 3.59Å; Y401-F455 AromaticContact CD1-CZ 3.98Å; Y401-F455 HydrophobicContact CD1-CZ 3.98Å; Y401-F455 AromaticContact CE1-CE2 3.74Å; Y401-F455 HydrophobicContact CE1-CE2 3.74Å; Y401-F455 AromaticContact CE1-CZ 3.77Å; Y401-F455 HydrophobicContact CE1-CZ 3.77Å; Y401-L456 HydrophobicContact CE1-CD2 4.14Å; Y401-L745 HydrophobicContact CD1-CD2 3.04Å; Y401-L745 HydrophobicContact CD1-CG 4.49Å; Y401-L745 HydrophobicContact CD2-CD2 3.99Å; Y401-L745 HydrophobicContact CE1-CD2 3.26Å; Y401-L745 HydrophobicContact CE2-CD2 4.09Å; Y401-L745 HydrophobicContact CG-CD2 3.49Å; Y401-L745 VanDerWaalsContact CG-CD2 3.49Å
402	G	92.4	Very high	93.1	Very high	8 Å²	8	30.6 Å²	30.6	8%	0.082	17%	0.166	C	C	.	.	S	Bend	trans	68	24.2	173.8	0	0	0	0	0	113.9	G351 L456	G351-G402 PolarHBondContact O-N 3.2Å; G402-L456 PolarHBondContact O-N 2.78Å; G402-L456 VanDerWaalsContact O-N 3.09Å
403	H	95.3	Very high	93.2	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.051	17%	0.165	C	C	.	.			trans	-78.2	164.4	169.9	65.1	-82.1	0	0	0	110.3	T353 F364 T400 Y401 F416 G418	T353-H403 WeakPolarHBondContact CG2-NE2 3.45Å; T353-H403 PolarHBondContact OG1-NE2 2.74Å; F364-H403 PolarHBondContact O-CE1 2.6Å; T400-H403 HydrophobicContact CG2-CB 4.05Å; T400-H403 PolarHBondContact O-ND1 3.08Å; Y401-H403 PolarHBondContact O-N 3.31Å; H403-F416 AromaticContact CD2-CD1 3.79Å; H403-G418 WeakPolarHBondContact CB-O 3.15Å
404	T	96.1	Very high	93.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.3	168.3	-59.1	0	0	0	0	110.4	V406 F416 Y417 H457 A459	T404-V406 HydrophobicContact CG2-CG1 4.26Å; T404-F416 WeakPolarHBondContact O-CA 3.44Å; T404-Y417 PolarHBondContact N-O 3.44Å; T404-Y417 VanDerWaalsContact N-O 3.1Å; T404-Y417 PolarHBondContact O-N 2.8Å; T404-H457 WeakPolarHBondContact CB-NE2 3.11Å; T404-H457 PolarHBondContact OG1-CD2 3Å; T404-H457 PolarHBondContact OG1-NE2 3.3Å; T404-H457 VanDerWaalsContact OG1-NE2 3.1Å; T404-H457 PolarHBondContact OG1-O 3.5Å; T404-A459 HydrophobicContact CG2-CB 3.67Å
405	S	97.7	Very high	93.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.7	164.8	61.9	0	0	0	0	112.2	T353 H355 Y415 F416	T353-S405 WeakPolarHBondContact CB-OG 3.34Å; T353-S405 WeakPolarHBondContact CG2-OG 3.47Å; T353-S405 PolarHBondContact OG1-OG 3.24Å; H355-S405 PolarHBondContact NE2-O 2.96Å; H355-S405 PolarHBondContact NE2-OG 3.03Å; S405-Y415 CarbonylContact C-O 3.53Å; S405-Y415 WeakPolarHBondContact CA-O 3.28Å; S405-Y415 WeakPolarHBondContact CB-O 3.33Å; S405-F416 VanDerWaalsContact CB-CD1 3.46Å
406	V	97.4	Very high	94.1	Very high	10 Å²	10	29 Å²	29	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140	-177.5	-68.8	0	0	0	0	109.8	T404 L414 Y415 A459 I461 M466	T404-V406 HydrophobicContact CG2-CG1 4.26Å; V406-L414 WeakPolarHBondContact O-CA 3.42Å; V406-Y415 PolarHBondContact N-O 3.28Å; V406-Y415 PolarHBondContact O-N 2.94Å; V406-A459 HydrophobicContact CG1-CB 3.97Å; V406-A459 WeakPolarHBondContact CG1-O 3.49Å; V406-I461 HydrophobicContact CB-CD1 3.99Å; V406-I461 HydrophobicContact CB-CG1 4.07Å; V406-I461 HydrophobicContact CG2-CD1 3.62Å; V406-I461 HydrophobicContact CG2-CG1 3.78Å; V406-M466 HydrophobicContact CG2-CE 3.9Å; V406-M466 HydrophobicContact CG2-CG 4.13Å; V406-M466 HydrophobicContact CG2-SD 3.77Å
407	F	96.2	Very high	94.3	Very high	64 Å²	64	27.3 Å²	27.3	28%	0.281	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128	177	179.4	-109.8	0	0	0	110.1	P409 Q412 L414	F407-P409 HydrophobicContact CE1-CB 4.35Å; F407-P409 WeakPolarHBondContact O-CD 3.12Å; F407-Q412 HydrophobicContact CZ-CB 4.45Å; F407-L414 HydrophobicContact CB-CD2 3.67Å; F407-L414 HydrophobicContact CD2-CD2 3.87Å; F407-L414 HydrophobicContact CD2-CG 4.13Å; F407-L414 HydrophobicContact CG-CD2 4.26Å
408	D	94.4	Very high	94.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.6	171.6	179.4	15.4	0	0	0	110.1	I410 T411 Q412 V413 Y415 I461	D408-I410 PolarHBondContact O-N 2.88Å; D408-I410 PolarHBondContact OD1-N 3.36Å; D408-T411 VanDerWaalsContact CG-OG1 3.32Å; D408-T411 WeakPolarHBondContact OD2-CB 3.42Å; D408-T411 VanDerWaalsContact OD2-CG2 3.32Å; D408-T411 WeakPolarHBondContact OD2-CG2 3.44Å; D408-T411 PolarHBondContact OD2-N 3.14Å; D408-T411 PolarHBondContact OD2-OG1 2.75Å; D408-Q412 VanDerWaalsContact O-CA 3.26Å; D408-Q412 WeakPolarHBondContact O-CA 2.98Å; D408-Q412 PolarHBondContact O-N 2.75Å; D408-V413 PolarHBondContact N-O 3.49Å; D408-Y415 HydrophobicContact CB-CD2 4.43Å; D408-Y415 HydrophobicContact CB-CE2 3.93Å; D408-I461 HydrophobicContact CB-CD1 3.82Å
409	P	88.4	Confident	94.3	Very high	81 Å²	81	24 Å²	24	53%	0.526	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.9	179.1	28.5	-35.2	0	0	0	113.3	F407 Q412	F407-P409 HydrophobicContact CE1-CB 4.35Å; F407-P409 WeakPolarHBondContact O-CD 3.12Å; P409-Q412 PolarHBondContact O-NE2 2.89Å
410	I	86.8	Confident	94.2	Very high	82 Å²	82	24.3 Å²	24.3	42%	0.421	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-51.1	-178.8	-59.8	175.4	0	0	0	110	D408 L580	D408-I410 PolarHBondContact O-N 2.88Å; D408-I410 PolarHBondContact OD1-N 3.36Å; I410-L580 HydrophobicContact CD1-CD1 4.18Å; I410-L580 HydrophobicContact CG2-CD1 4.13Å
411	T	90	Very high	94	Very high	69 Å²	69	26.4 Å²	26.4	42%	0.423	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10	-177.7	60.3	0	0	0	0	113.9	D408 V413	D408-T411 VanDerWaalsContact CG-OG1 3.32Å; D408-T411 WeakPolarHBondContact OD2-CB 3.42Å; D408-T411 VanDerWaalsContact OD2-CG2 3.32Å; D408-T411 WeakPolarHBondContact OD2-CG2 3.44Å; D408-T411 PolarHBondContact OD2-N 3.14Å; D408-T411 PolarHBondContact OD2-OG1 2.75Å; T411-V413 PolarHBondContact O-N 2.97Å; T411-V413 VanDerWaalsContact OG1-CG2 3.3Å; T411-V413 WeakPolarHBondContact OG1-CG2 3.38Å
412	Q	93.2	Very high	93.9	Very high	110 Å²	110	26 Å²	26	51%	0.514	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	26.9	-178.7	-60.2	-76.5	-54.2	0	0	113.9	F407 D408 P409	F407-Q412 HydrophobicContact CZ-CB 4.45Å; D408-Q412 VanDerWaalsContact O-CA 3.26Å; D408-Q412 WeakPolarHBondContact O-CA 2.98Å; D408-Q412 PolarHBondContact O-N 2.75Å; P409-Q412 PolarHBondContact O-NE2 2.89Å
413	V	96.4	Very high	93.7	Very high	15 Å²	15	28.3 Å²	28.3	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	163.5	177	-52.5	0	0	0	0	111.5	D408 T411 Y415 L436	D408-V413 PolarHBondContact N-O 3.49Å; T411-V413 PolarHBondContact O-N 2.97Å; T411-V413 VanDerWaalsContact OG1-CG2 3.3Å; T411-V413 WeakPolarHBondContact OG1-CG2 3.38Å; V413-Y415 HydrophobicContact CG2-CD2 4.3Å; V413-Y415 HydrophobicContact CG2-CE2 3.57Å; V413-L436 HydrophobicContact CB-CD1 4.43Å; V413-L436 HydrophobicContact CB-CD2 4.27Å; V413-L436 HydrophobicContact CB-CG 4.16Å; V413-L436 HydrophobicContact CG1-CD2 4.35Å; V413-L436 HydrophobicContact CG2-CD1 3.81Å; V413-L436 HydrophobicContact CG2-CG 3.92Å
414	L	97.9	Very high	93.5	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	-107.2	134.9	176.6	-72.1	164.4	0	0	0	110.2	H355 I357 F364 V406 F407 F416 L436 Y437 P439	H355-L414 HydrophobicContact CB-CD1 4.4Å; H355-L414 HydrophobicContact CB-CD2 4.07Å; H355-L414 VanDerWaalsContact CD2-CD2 3.49Å; H355-L414 WeakPolarHBondContact CD2-CD2 3.19Å; H355-L414 VanDerWaalsContact CG-CD2 3.44Å; I357-L414 HydrophobicContact CD1-CD1 3.69Å; I357-L414 HydrophobicContact CD1-CG 4.39Å; F364-L414 HydrophobicContact CE2-CD1 3.76Å; F364-L414 HydrophobicContact CZ-CD1 3.63Å; V406-L414 WeakPolarHBondContact O-CA 3.42Å; F407-L414 HydrophobicContact CB-CD2 3.67Å; F407-L414 HydrophobicContact CD2-CD2 3.87Å; F407-L414 HydrophobicContact CD2-CG 4.13Å; F407-L414 HydrophobicContact CG-CD2 4.26Å; L414-F416 HydrophobicContact CB-CD2 4.35Å; L414-F416 HydrophobicContact CB-CE2 3.58Å; L414-F416 HydrophobicContact CB-CZ 4.31Å; L414-F416 HydrophobicContact CD1-CE2 4.44Å; L414-F416 HydrophobicContact CD1-CZ 4.47Å; L414-L436 CarbonylContact O-C 3.52Å; L414-L436 WeakPolarHBondContact O-CA 3.16Å; L414-Y437 HydrophobicContact CD1-CD1 4.07Å; L414-Y437 PolarHBondContact N-O 2.6Å; L414-Y437 PolarHBondContact O-N 2.61Å; L414-P439 HydrophobicContact CD1-CG 4.32Å
415	Y	97.7	Very high	93	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139	171	-64.8	-91.2	0	0	0	110	S405 V406 D408 V413 L434 Y435 L436 L447 I461 Y492 I494	S405-Y415 CarbonylContact C-O 3.53Å; S405-Y415 WeakPolarHBondContact CA-O 3.28Å; S405-Y415 WeakPolarHBondContact CB-O 3.33Å; V406-Y415 PolarHBondContact N-O 3.28Å; V406-Y415 PolarHBondContact O-N 2.94Å; D408-Y415 HydrophobicContact CB-CD2 4.43Å; D408-Y415 HydrophobicContact CB-CE2 3.93Å; V413-Y415 HydrophobicContact CG2-CD2 4.3Å; V413-Y415 HydrophobicContact CG2-CE2 3.57Å; Y415-L434 HydrophobicContact CD1-CD1 4.5Å; Y415-Y435 CarbonylContact C-O 3.58Å; Y415-Y435 WeakPolarHBondContact CA-O 3.33Å; Y415-L436 HydrophobicContact CD1-CB 4.49Å; Y415-L436 HydrophobicContact CE1-CB 4.39Å; Y415-L436 HydrophobicContact CE1-CD1 3.91Å; Y415-L436 HydrophobicContact CE1-CG 4.42Å; Y415-L447 HydrophobicContact CD1-CD1 3.89Å; Y415-L447 HydrophobicContact CE1-CD1 3.72Å; Y415-I461 HydrophobicContact CD2-CD1 4.18Å; Y415-Y492 HydrophobicContact CD1-CE1 4.46Å; Y415-Y492 HydrophobicContact CE1-CE1 4.12Å; Y415-I494 HydrophobicContact CE2-CD1 4.17Å; Y415-I494 HydrophobicContact CE2-CG1 4.4Å; Y415-I494 HydrophobicContact CE2-CG2 4.46Å; Y415-I494 VanDerWaalsContact OH-CG2 3.3Å; Y415-I494 WeakPolarHBondContact OH-CG2 3.23Å
416	F	97.7	Very high	92.5	Very high	5 Å²	5	32 Å²	32	2%	0.022	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.6	178.8	-67.9	-104.9	0	0	0	109.4	F364 L365 H403 T404 S405 L414 L434 Y435 W444	F364-F416 HydrophobicContact CB-CE1 3.45Å; F364-F416 VanDerWaalsContact CB-CE1 3.45Å; F364-F416 HydrophobicContact CB-CZ 3.85Å; F364-F416 HydrophobicContact CD1-CE1 4.04Å; F364-F416 HydrophobicContact CD1-CE2 4.45Å; F364-F416 AromaticContact CD1-CZ 3.56Å; F364-F416 HydrophobicContact CD1-CZ 3.56Å; F364-F416 HydrophobicContact CD2-CE1 4.09Å; F364-F416 AromaticContact CD2-CZ 3.73Å; F364-F416 HydrophobicContact CD2-CZ 3.73Å; F364-F416 AromaticContact CE1-CZ 3.95Å; F364-F416 HydrophobicContact CE1-CZ 3.95Å; F364-F416 HydrophobicContact CE2-CZ 4.08Å; F364-F416 AromaticContact CG-CE1 3.62Å; F364-F416 HydrophobicContact CG-CE1 3.62Å; F364-F416 AromaticContact CG-CZ 3.44Å; F364-F416 HydrophobicContact CG-CZ 3.44Å; F364-F416 VanDerWaalsContact CG-CZ 3.44Å; F364-F416 HydrophobicContact CZ-CZ 4.18Å; L365-F416 HydrophobicContact CD1-CD1 4.34Å; H403-F416 AromaticContact CD2-CD1 3.79Å; T404-F416 WeakPolarHBondContact O-CA 3.44Å; S405-F416 VanDerWaalsContact CB-CD1 3.46Å; L414-F416 HydrophobicContact CB-CD2 4.35Å; L414-F416 HydrophobicContact CB-CE2 3.58Å; L414-F416 HydrophobicContact CB-CZ 4.31Å; L414-F416 HydrophobicContact CD1-CE2 4.44Å; L414-F416 HydrophobicContact CD1-CZ 4.47Å; F416-L434 CarbonylContact O-C 3.58Å; F416-L434 WeakPolarHBondContact O-CA 3.48Å; F416-Y435 PolarHBondContact N-O 3.17Å; F416-Y435 PolarHBondContact O-N 2.88Å; F416-W444 HydrophobicContact CB-CZ3 4.42Å; F416-W444 HydrophobicContact CD1-CH2 4.19Å; F416-W444 HydrophobicContact CD1-CZ3 4.37Å; F416-W444 AromaticContact CD2-CH2 3.76Å; F416-W444 HydrophobicContact CD2-CH2 3.76Å; F416-W444 AromaticContact CD2-CZ3 3.41Å; F416-W444 HydrophobicContact CD2-CZ3 3.41Å; F416-W444 VanDerWaalsContact CD2-CZ3 3.41Å; F416-W444 HydrophobicContact CE1-CH2 4.05Å; F416-W444 AromaticContact CE2-CH2 3.56Å; F416-W444 HydrophobicContact CE2-CH2 3.56Å; F416-W444 AromaticContact CE2-CZ3 3.64Å; F416-W444 HydrophobicContact CE2-CZ3 3.64Å; F416-W444 HydrophobicContact CG-CH2 4.09Å; F416-W444 AromaticContact CG-CZ3 3.82Å; F416-W444 HydrophobicContact CG-CZ3 3.82Å; F416-W444 AromaticContact CZ-CH2 3.74Å; F416-W444 HydrophobicContact CZ-CH2 3.74Å; F416-W444 HydrophobicContact CZ-CZ3 4.26Å
417	Y	96.3	Very high	91.9	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139	-175.1	179.8	-107.6	0	0	0	112.2	T404 D432 L434 S450 F452 H457 M466 V468 L490 W499	T404-Y417 PolarHBondContact N-O 3.44Å; T404-Y417 VanDerWaalsContact N-O 3.1Å; T404-Y417 PolarHBondContact O-N 2.8Å; Y417-D432 WeakPolarHBondContact CE2-O 3.4Å; Y417-L434 HydrophobicContact CD2-CB 4.25Å; Y417-L434 HydrophobicContact CD2-CD1 4.16Å; Y417-L434 HydrophobicContact CG-CD1 4.49Å; Y417-S450 WeakPolarHBondContact OH-CB 3.37Å; Y417-S450 PolarHBondContact OH-OG 3.34Å; Y417-F452 PolarHBondContact OH-O 3.42Å; Y417-H457 AromaticContact CD1-NE2 3.51Å; Y417-H457 PolarHBondContact O-CE1 3.3Å; Y417-H457 PolarHBondContact O-NE2 2.07Å; Y417-H457 VanDerWaalsContact O-NE2 3.12Å; Y417-M466 HydrophobicContact CG-CE 4.42Å; Y417-V468 HydrophobicContact CD1-CG1 3.86Å; Y417-V468 HydrophobicContact CD1-CG2 4.1Å; Y417-V468 HydrophobicContact CE1-CG1 3.85Å; Y417-V468 HydrophobicContact CE1-CG2 4.38Å; Y417-L490 HydrophobicContact CE1-CD1 4.31Å; Y417-L490 WeakPolarHBondContact OH-CD1 3.38Å; Y417-W499 AromaticContact CD2-CH2 3.63Å; Y417-W499 HydrophobicContact CD2-CH2 3.63Å; Y417-W499 AromaticContact CD2-CZ2 3.81Å; Y417-W499 HydrophobicContact CD2-CZ2 3.81Å; Y417-W499 HydrophobicContact CE1-CH2 4.46Å; Y417-W499 AromaticContact CE2-CH2 3.47Å; Y417-W499 HydrophobicContact CE2-CH2 3.47Å; Y417-W499 VanDerWaalsContact CE2-CH2 3.47Å; Y417-W499 AromaticContact CE2-CZ2 3.63Å; Y417-W499 HydrophobicContact CE2-CZ2 3.63Å; Y417-W499 HydrophobicContact CE2-CZ3 4.41Å; Y417-W499 HydrophobicContact CG-CH2 4.18Å; Y417-W499 AromaticContact CZ-CH2 3.92Å
418	G	93.1	Very high	91.4	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.9	-160.1	171.6	0	0	0	0	0	114.4	H403 V431 D433	H403-G418 WeakPolarHBondContact CB-O 3.15Å; G418-V431 VanDerWaalsContact CA-O 3.3Å; G418-V431 WeakPolarHBondContact CA-O 3.26Å; G418-D433 PolarHBondContact N-O 3.17Å
419	G	92.2	Very high	90.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.7	-166.9	-177.1	0	0	0	0	0	112	Y401 M430 V431 S454	Y401-G419 CarbonylContact O-C 3.07Å; Y401-G419 WeakPolarHBondContact O-CA 3.1Å; G419-M430 VanDerWaalsContact O-CA 3.32Å; G419-M430 WeakPolarHBondContact O-CA 3.49Å; G419-V431 PolarHBondContact O-N 3.18Å; G419-S454 PolarHBondContact N-O 3.14Å
420	F	90.4	Very high	90.7	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137	177.8	-171	-86.4	0	0	0	110	F373 T400 Y401 G428 D429 M430 F455 N741 V744	F373-F420 AromaticContact CE1-CD1 3.85Å; F373-F420 HydrophobicContact CE1-CD1 3.85Å; F373-F420 WeakPolarHBondContact CE1-O 3.17Å; F373-F420 AromaticContact CZ-CD1 3.73Å; F373-F420 HydrophobicContact CZ-CD1 3.73Å; F373-F420 AromaticContact CZ-CE1 3.97Å; F373-F420 HydrophobicContact CZ-CE1 3.97Å; T400-F420 WeakPolarHBondContact CA-O 3.47Å; Y401-F420 PolarHBondContact N-O 3.37Å; Y401-F420 PolarHBondContact O-N 2.64Å; F420-G428 WeakPolarHBondContact CZ-O 3.34Å; F420-D429 WeakPolarHBondContact CA-O 3.38Å; F420-D429 VanDerWaalsContact CD2-C 3.5Å; F420-M430 HydrophobicContact CD2-CG 3.91Å; F420-F455 HydrophobicContact CB-CD2 3.7Å; F420-F455 HydrophobicContact CB-CE2 3.74Å; F420-F455 HydrophobicContact CB-CG 4.43Å; F420-F455 HydrophobicContact CB-CZ 4.45Å; F420-N741 WeakPolarHBondContact CE1-O 3.4Å; F420-V744 HydrophobicContact CD1-CG1 3.66Å; F420-V744 HydrophobicContact CD2-CG1 3.8Å; F420-V744 HydrophobicContact CE1-CG1 3.61Å; F420-V744 HydrophobicContact CE2-CB 4.24Å; F420-V744 HydrophobicContact CE2-CG1 3.75Å; F420-V744 HydrophobicContact CG-CG1 3.75Å; F420-V744 HydrophobicContact CZ-CB 4.21Å; F420-V744 HydrophobicContact CZ-CG1 3.64Å
421	R	90.5	Very high	90.9	Very high	53 Å²	53	31.3 Å²	31.3	20%	0.2	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.9	177	70.7	178.9	-179.2	-147.1	-6.3	111	G399 G428 D429 V431 D433	G399-R421 VanDerWaalsContact O-CB 3.24Å; G399-R421 WeakPolarHBondContact O-CB 3.32Å; R421-G428 CarbonylContact O-C 3.59Å; R421-G428 WeakPolarHBondContact O-CA 3.44Å; R421-D429 PolarHBondContact N-O 2.82Å; R421-D429 PolarHBondContact O-N 2.96Å; R421-V431 HydrophobicContact CG-CG1 3.75Å; R421-D433 IonicContact CZ-OD2 3.25Å; R421-D433 IonicContact NH1-OD2 3.27Å; R421-D433 PolarHBondContact NH1-OD2 2.92Å; R421-D433 IonicContact NH2-OD2 2.71Å
422	A	91.6	Very high	90.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	141.8	167.1	0	0	0	0	0	111	F373 Y657 N741	F373-A422 HydrophobicContact CD2-CB 3.66Å; F373-A422 HydrophobicContact CE2-CB 3.8Å; A422-Y657 HydrophobicContact CB-CD1 4.11Å; A422-Y657 HydrophobicContact CB-CD2 3.41Å; A422-Y657 VanDerWaalsContact CB-CD2 3.41Å; A422-Y657 HydrophobicContact CB-CE1 4.4Å; A422-Y657 HydrophobicContact CB-CE2 3.71Å; A422-Y657 HydrophobicContact CB-CG 3.6Å; A422-Y657 WeakPolarHBondContact O-CE2 3.22Å; A422-Y657 PolarHBondContact O-OH 3.3Å; A422-N741 HydrophobicContact CB-CB 4.01Å; A422-N741 WeakPolarHBondContact CB-ND2 3.35Å
423	T	89.3	Confident	90.8	Very high	55 Å²	55	25 Å²	25	34%	0.337	14%	0.143	S	C	.	.	S	Bend	trans	-111.8	-22.9	171.3	49.2	0	0	0	0	111.8	T427 D429	T423-T427 PolarHBondContact N-O 3.21Å; T423-T427 PolarHBondContact OG1-O 3.09Å; T423-T427 PolarHBondContact OG1-OG1 2.93Å; T423-D429 HydrophobicContact CG2-CB 4.09Å; T423-D429 WeakPolarHBondContact CG2-OD2 3.45Å; T423-D429 PolarHBondContact OG1-OD2 2.87Å; T423-D429 VanDerWaalsContact OG1-OD2 3.09Å
424	S	89.3	Confident	90.8	Very high	20 Å²	20	24.3 Å²	24.3	14%	0.14	14%	0.139	C	C	.	.	S	Bend	trans	-146.6	-174.7	169.1	74.1	0	0	0	0	110.4	T426 T427 N741	S424-T426 PolarHBondContact O-N 2.98Å; S424-T426 PolarHBondContact OG-N 2.76Å; S424-T426 VanDerWaalsContact OG-N 3.15Å; S424-T426 PolarHBondContact OG-OG1 2.84Å; S424-T427 PolarHBondContact N-O 3.29Å; S424-T427 VanDerWaalsContact N-O 3.07Å; S424-T427 PolarHBondContact OG-N 2.93Å; S424-T427 PolarHBondContact OG-OG1 2.7Å; S424-N741 PolarHBondContact O-ND2 2.9Å
425	S	87.1	Confident	90.7	Very high	18 Å²	18	25.6 Å²	25.6	13%	0.126	14%	0.144	C	C	.	.	S	Bend	trans	-65.5	-23.5	170.8	45.5	0	0	0	0	113	Y657 V678 Y679 N741	S425-Y657 WeakPolarHBondContact CA-O 3.41Å; S425-Y657 WeakPolarHBondContact CB-O 3.33Å; S425-V678 VanDerWaalsContact OG-CG1 3.27Å; S425-V678 WeakPolarHBondContact OG-CG1 3.33Å; S425-Y679 WeakPolarHBondContact CB-O 3.35Å; S425-Y679 PolarHBondContact OG-O 2.7Å; S425-N741 PolarHBondContact O-ND2 3.24Å
426	T	85.8	Confident	90.6	Very high	55 Å²	55	25.7 Å²	25.7	34%	0.337	15%	0.145	S	C	.	.	S	Bend	trans	-110.6	-21	-174.8	61.1	0	0	0	0	113.9	S424	S424-T426 PolarHBondContact O-N 2.98Å; S424-T426 PolarHBondContact OG-N 2.76Å; S424-T426 VanDerWaalsContact OG-N 3.15Å; S424-T426 PolarHBondContact OG-OG1 2.84Å
427	T	85.2	Confident	90.6	Very high	68 Å²	68	25.5 Å²	25.5	42%	0.417	14%	0.144	S	C	.	.			trans	-125.4	151.4	-173.8	64.5	0	0	0	0	112.5	T423 S424 N741	T423-T427 PolarHBondContact N-O 3.21Å; T423-T427 PolarHBondContact OG1-O 3.09Å; T423-T427 PolarHBondContact OG1-OG1 2.93Å; S424-T427 PolarHBondContact N-O 3.29Å; S424-T427 VanDerWaalsContact N-O 3.07Å; S424-T427 PolarHBondContact OG-N 2.93Å; S424-T427 PolarHBondContact OG-OG1 2.7Å; T427-N741 WeakPolarHBondContact O-CB 3.37Å
428	G	85.1	Confident	90.7	Very high	18 Å²	18	26.6 Å²	26.6	19%	0.186	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.4	169.6	0	0	0	0	0	110.6	F420 R421	F420-G428 WeakPolarHBondContact CZ-O 3.34Å; R421-G428 CarbonylContact O-C 3.59Å; R421-G428 WeakPolarHBondContact O-CA 3.44Å
429	D	84.7	Confident	90.8	Very high	89 Å²	89	27.3 Å²	27.3	48%	0.476	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.1	-174	-67.7	-58.7	0	0	0	111.4	F420 R421 T423	F420-D429 WeakPolarHBondContact CA-O 3.38Å; F420-D429 VanDerWaalsContact CD2-C 3.5Å; R421-D429 PolarHBondContact N-O 2.82Å; R421-D429 PolarHBondContact O-N 2.96Å; T423-D429 HydrophobicContact CG2-CB 4.09Å; T423-D429 WeakPolarHBondContact CG2-OD2 3.45Å; T423-D429 PolarHBondContact OG1-OD2 2.87Å; T423-D429 VanDerWaalsContact OG1-OD2 3.09Å
430	M	85.3	Confident	91	Very high	41 Å²	41	31.9 Å²	31.9	20%	0.202	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.4	166.4	-61.1	179	-69.6	0	0	109.9	G419 F420 P453 F455 A473 F484	G419-M430 VanDerWaalsContact O-CA 3.32Å; G419-M430 WeakPolarHBondContact O-CA 3.49Å; F420-M430 HydrophobicContact CD2-CG 3.91Å; M430-P453 HydrophobicContact CB-CB 3.82Å; M430-F455 HydrophobicContact CG-CB 3.91Å; M430-F455 HydrophobicContact SD-CB 3.76Å; M430-A473 HydrophobicContact CE-CB 4Å; M430-F484 HydrophobicContact CE-CE1 3.51Å; M430-F484 HydrophobicContact CE-CE2 4.4Å; M430-F484 HydrophobicContact CE-CZ 3.26Å; M430-F484 HydrophobicContact SD-CE1 3.54Å; M430-F484 VanDerWaalsContact SD-CE1 3.54Å; M430-F484 HydrophobicContact SD-CZ 3.55Å; M430-F484 VanDerWaalsContact SD-CZ 3.55Å
431	V	89.1	Confident	91.2	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	158.9	-177.5	-61.8	0	0	0	0	112.2	T400 G418 G419 R421 P453 S454	T400-V431 HydrophobicContact CG2-CG2 4.4Å; G418-V431 VanDerWaalsContact CA-O 3.3Å; G418-V431 WeakPolarHBondContact CA-O 3.26Å; G419-V431 PolarHBondContact O-N 3.18Å; R421-V431 HydrophobicContact CG-CG1 3.75Å; V431-P453 WeakPolarHBondContact O-CA 3.14Å; V431-S454 PolarHBondContact O-N 3.22Å
432	D	90.7	Very high	91.4	Very high	16 Å²	16	38.9 Å²	38.9	9%	0.086	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	12.1	175.8	59.8	6.4	0	0	0	113	Y417 S449 G451 F452 P453	Y417-D432 WeakPolarHBondContact CE2-O 3.4Å; D432-S449 PolarHBondContact O-OG 3.41Å; D432-S449 PolarHBondContact OD1-OG 3.1Å; D432-S449 PolarHBondContact OD2-OG 3.48Å; D432-G451 WeakPolarHBondContact OD2-CA 3.47Å; D432-G451 PolarHBondContact OD2-N 2.99Å; D432-F452 PolarHBondContact OD2-N 3.38Å; D432-P453 HydrophobicContact CB-CG 4.1Å
433	D	92.2	Very high	91.5	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136.1	179.4	-60.9	-35.7	0	0	0	110.5	G418 R421 Y435	G418-D433 PolarHBondContact N-O 3.17Å; R421-D433 IonicContact CZ-OD2 3.25Å; R421-D433 IonicContact NH1-OD2 3.27Å; R421-D433 PolarHBondContact NH1-OD2 2.92Å; R421-D433 IonicContact NH2-OD2 2.71Å; D433-Y435 HydrophobicContact CB-CD2 4.16Å; D433-Y435 HydrophobicContact CB-CE2 3.58Å
434	L	95.2	Very high	91.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122	171.8	-179.3	69.6	0	0	0	108.8	Y415 F416 Y417 L447 M466 Y492 W499	Y415-L434 HydrophobicContact CD1-CD1 4.5Å; F416-L434 CarbonylContact O-C 3.58Å; F416-L434 WeakPolarHBondContact O-CA 3.48Å; Y417-L434 HydrophobicContact CD2-CB 4.25Å; Y417-L434 HydrophobicContact CD2-CD1 4.16Å; Y417-L434 HydrophobicContact CG-CD1 4.49Å; L434-L447 HydrophobicContact CB-CB 4.11Å; L434-L447 HydrophobicContact CD2-CB 3.78Å; L434-L447 HydrophobicContact CD2-CD1 3.68Å; L434-L447 HydrophobicContact CD2-CG 4.37Å; L434-L447 HydrophobicContact CG-CB 3.93Å; L434-L447 HydrophobicContact CG-CD1 3.91Å; L434-L447 HydrophobicContact CG-CG 4.44Å; L434-L447 WeakPolarHBondContact O-CB 3.12Å; L434-L447 PolarHBondContact O-N 2.85Å; L434-M466 HydrophobicContact CD1-SD 4.34Å; L434-Y492 HydrophobicContact CD2-CD1 4.07Å; L434-Y492 HydrophobicContact CD2-CD2 3.8Å; L434-Y492 HydrophobicContact CD2-CE1 3.82Å; L434-Y492 HydrophobicContact CD2-CE2 3.53Å; L434-Y492 HydrophobicContact CD2-CG 4.05Å; L434-W499 HydrophobicContact CB-CZ2 4.12Å; L434-W499 HydrophobicContact CD1-CZ2 4.27Å; L434-W499 HydrophobicContact CD2-CZ2 3.77Å; L434-W499 HydrophobicContact CG-CZ2 4.27Å
435	Y	96.1	Very high	92	Very high	27 Å²	27	40.8 Å²	40.8	11%	0.106	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.7	175.6	-69.5	-92.2	0	0	0	111	A395 P397 Y415 F416 D433 K445 L446	A395-Y435 HydrophobicContact CB-CE1 4.29Å; A395-Y435 WeakPolarHBondContact O-CD1 3.42Å; A395-Y435 WeakPolarHBondContact O-CE1 3.41Å; P397-Y435 HydrophobicContact CB-CD1 4.35Å; P397-Y435 HydrophobicContact CB-CD2 4.11Å; P397-Y435 HydrophobicContact CB-CE1 4.05Å; P397-Y435 HydrophobicContact CB-CE2 3.77Å; P397-Y435 HydrophobicContact CB-CG 4.38Å; Y415-Y435 CarbonylContact C-O 3.58Å; Y415-Y435 WeakPolarHBondContact CA-O 3.33Å; F416-Y435 PolarHBondContact N-O 3.17Å; F416-Y435 PolarHBondContact O-N 2.88Å; D433-Y435 HydrophobicContact CB-CD2 4.16Å; D433-Y435 HydrophobicContact CB-CE2 3.58Å; Y435-K445 WeakPolarHBondContact CA-O 3.32Å; Y435-L446 HydrophobicContact CD1-CD1 4.21Å; Y435-L446 HydrophobicContact CE1-CB 4.29Å; Y435-L446 HydrophobicContact CE1-CD1 3.81Å; Y435-L446 HydrophobicContact CE2-CD1 4.24Å
436	L	96.5	Very high	92.3	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.063	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.3	166.3	177	158.4	0	0	0	108.5	V413 L414 Y415 W444 K445 L447	V413-L436 HydrophobicContact CB-CD1 4.43Å; V413-L436 HydrophobicContact CB-CD2 4.27Å; V413-L436 HydrophobicContact CB-CG 4.16Å; V413-L436 HydrophobicContact CG1-CD2 4.35Å; V413-L436 HydrophobicContact CG2-CD1 3.81Å; V413-L436 HydrophobicContact CG2-CG 3.92Å; L414-L436 CarbonylContact O-C 3.52Å; L414-L436 WeakPolarHBondContact O-CA 3.16Å; Y415-L436 HydrophobicContact CD1-CB 4.49Å; Y415-L436 HydrophobicContact CE1-CB 4.39Å; Y415-L436 HydrophobicContact CE1-CD1 3.91Å; Y415-L436 HydrophobicContact CE1-CG 4.42Å; L436-W444 CarbonylContact O-C 3.54Å; L436-W444 WeakPolarHBondContact O-CA 3.39Å; L436-K445 HydrophobicContact CB-CB 4.41Å; L436-K445 HydrophobicContact CD2-CD 4.36Å; L436-K445 PolarHBondContact N-O 3.16Å; L436-K445 PolarHBondContact O-N 3.21Å; L436-L447 HydrophobicContact CB-CD1 3.9Å; L436-L447 HydrophobicContact CB-CG 4.26Å
437	Y	97.7	Very high	92.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.5	171.7	179.2	-106	0	0	0	109.9	L362 F364 T392 L414 P439 Q443 W444	L362-Y437 HydrophobicContact CD1-CE1 4.2Å; F364-Y437 AromaticContact CE1-CD1 3.69Å; F364-Y437 HydrophobicContact CE1-CD1 3.69Å; F364-Y437 AromaticContact CE1-CE1 3.64Å; F364-Y437 HydrophobicContact CE1-CE1 3.64Å; F364-Y437 HydrophobicContact CE1-CG 4.19Å; F364-Y437 AromaticContact CZ-CD1 3.84Å; F364-Y437 HydrophobicContact CZ-CD1 3.84Å; F364-Y437 AromaticContact CZ-CE1 3.74Å; F364-Y437 HydrophobicContact CZ-CE1 3.74Å; T392-Y437 HydrophobicContact CG2-CE2 3.81Å; L414-Y437 HydrophobicContact CD1-CD1 4.07Å; L414-Y437 PolarHBondContact N-O 2.6Å; L414-Y437 PolarHBondContact O-N 2.61Å; Y437-P439 HydrophobicContact CD1-CG 4.12Å; Y437-P439 HydrophobicContact CE1-CB 4.1Å; Y437-P439 HydrophobicContact CE1-CG 4.18Å; Y437-P439 WeakPolarHBondContact O-CD 3.29Å; Y437-Q443 WeakPolarHBondContact CA-O 3.45Å; Y437-W444 AromaticContact CD2-CD1 3.86Å; Y437-W444 AromaticContact CD2-CD2 3.58Å; Y437-W444 HydrophobicContact CD2-CD2 3.58Å; Y437-W444 AromaticContact CD2-CE2 3.36Å; Y437-W444 HydrophobicContact CD2-CE3 4.16Å; Y437-W444 AromaticContact CD2-CG 3.9Å; Y437-W444 HydrophobicContact CD2-CG 3.9Å; Y437-W444 HydrophobicContact CD2-CH2 4.34Å; Y437-W444 AromaticContact CD2-CZ2 3.78Å; Y437-W444 HydrophobicContact CD2-CZ2 3.78Å; Y437-W444 AromaticContact CD2-NE1 3.55Å; Y437-W444 HydrophobicContact CE2-CD2 4.48Å; Y437-W444 AromaticContact CE2-CE2 3.92Å; Y437-W444 HydrophobicContact CE2-CZ2 4.33Å; Y437-W444 AromaticContact CE2-NE1 3.71Å; Y437-W444 HydrophobicContact CG-CD2 4.23Å; Y437-W444 HydrophobicContact CG-CE3 4.38Å; Y437-W444 HydrophobicContact CG-CH2 4.28Å; Y437-W444 HydrophobicContact CG-CZ2 4.13Å; Y437-W444 HydrophobicContact CG-CZ3 4.42Å
438	D	96.6	Very high	92.7	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.5	172.7	-178.6	-28.5	0	0	0	108.7	A440 K441 R442 Q443	D438-A440 VanDerWaalsContact C-N 3.3Å; D438-A440 PolarHBondContact O-N 3.29Å; D438-A440 WeakPolarHBondContact OD1-CA 3.32Å; D438-A440 WeakPolarHBondContact OD1-CB 3.37Å; D438-A440 PolarHBondContact OD1-N 3.15Å; D438-K441 HydrophobicContact CB-CB 4.25Å; D438-K441 PolarHBondContact O-N 3.22Å; D438-K441 PolarHBondContact OD1-N 2.79Å; D438-K441 WeakPolarHBondContact OD2-CD 3.25Å; D438-K441 WeakPolarHBondContact OD2-CE 3.39Å; D438-K441 WeakPolarHBondContact OD2-CG 3.46Å; D438-K441 IonicContact OD2-NZ 3.3Å; D438-K441 PolarHBondContact OD2-NZ 3.04Å; D438-R442 VanDerWaalsContact O-CA 3.3Å; D438-R442 WeakPolarHBondContact O-CA 3.31Å; D438-R442 PolarHBondContact O-N 2.82Å; D438-Q443 PolarHBondContact N-O 2.78Å; D438-Q443 PolarHBondContact O-N 3.36Å
439	P	96.2	Very high	92.9	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.123	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-27.9	-178	-19.2	33.1	0	0	0	113.8	I357 L362 L414 Y437	I357-P439 HydrophobicContact CD1-CB 3.76Å; I357-P439 HydrophobicContact CD1-CG 3.47Å; I357-P439 VanDerWaalsContact CD1-CG 3.47Å; I357-P439 HydrophobicContact CG2-CB 4.21Å; L362-P439 HydrophobicContact CD1-CB 4.45Å; L414-P439 HydrophobicContact CD1-CG 4.32Å; Y437-P439 HydrophobicContact CD1-CG 4.12Å; Y437-P439 HydrophobicContact CE1-CB 4.1Å; Y437-P439 HydrophobicContact CE1-CG 4.18Å; Y437-P439 WeakPolarHBondContact O-CD 3.29Å
440	A	95.3	Very high	93.1	Very high	96 Å²	96	32 Å²	32	79%	0.793	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-39.4	179.9	0	0	0	0	0	111	D438	D438-A440 VanDerWaalsContact C-N 3.3Å; D438-A440 PolarHBondContact O-N 3.29Å; D438-A440 WeakPolarHBondContact OD1-CA 3.32Å; D438-A440 WeakPolarHBondContact OD1-CB 3.37Å; D438-A440 PolarHBondContact OD1-N 3.15Å
441	K	94.9	Very high	93.1	Very high	126 Å²	126	30.9 Å²	30.9	55%	0.548	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.2	176.9	-61.2	-175.9	-163.9	112.6	0	114.1	D438 Q443	D438-K441 HydrophobicContact CB-CB 4.25Å; D438-K441 PolarHBondContact O-N 3.22Å; D438-K441 PolarHBondContact OD1-N 2.79Å; D438-K441 WeakPolarHBondContact OD2-CD 3.25Å; D438-K441 WeakPolarHBondContact OD2-CE 3.39Å; D438-K441 WeakPolarHBondContact OD2-CG 3.46Å; D438-K441 IonicContact OD2-NZ 3.3Å; D438-K441 PolarHBondContact OD2-NZ 3.04Å; K441-Q443 HydrophobicContact CB-CB 4.01Å; K441-Q443 HydrophobicContact CB-CG 4.17Å; K441-Q443 PolarHBondContact O-N 2.74Å
442	R	95.2	Very high	92.9	Very high	88 Å²	88	33 Å²	33	33%	0.332	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.2	-171.9	-58.3	175.8	172.3	-144.8	-14.3	112	E379 V390 T392 T393 D438	E379-R442 IonicContact OE1-NH2 2.69Å; E379-R442 IonicContact OE2-CZ 3.01Å; E379-R442 IonicContact OE2-NH2 3.76Å; E379-R442 PolarHBondContact OE2-NH2 3.24Å; V390-R442 HydrophobicContact CG1-CG 4.26Å; T392-R442 WeakPolarHBondContact CA-O 3.37Å; T392-R442 WeakPolarHBondContact CB-O 3.08Å; T393-R442 PolarHBondContact N-O 2.93Å; T393-R442 VanDerWaalsContact N-O 3.14Å; D438-R442 VanDerWaalsContact O-CA 3.3Å; D438-R442 WeakPolarHBondContact O-CA 3.31Å; D438-R442 PolarHBondContact O-N 2.82Å
443	Q	94.2	Very high	92.6	Very high	49 Å²	49	33.7 Å²	33.7	23%	0.229	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.6	-171.9	-86.5	176.8	-6.8	0	0	111.6	T393 Y437 D438 K441	T393-Q443 WeakPolarHBondContact O-CA 3.02Å; T393-Q443 WeakPolarHBondContact OG1-CG 3.26Å; Y437-Q443 WeakPolarHBondContact CA-O 3.45Å; D438-Q443 PolarHBondContact N-O 2.78Å; D438-Q443 PolarHBondContact O-N 3.36Å; K441-Q443 HydrophobicContact CB-CB 4.01Å; K441-Q443 HydrophobicContact CB-CG 4.17Å; K441-Q443 PolarHBondContact O-N 2.74Å
444	W	95.4	Very high	92.4	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	143.7	173.4	-65.9	92.8	0	0	0	111.3	F364 V377 T392 T393 A395 P397 F416 L436 Y437	F364-W444 AromaticContact CD1-CH2 3.85Å; F364-W444 HydrophobicContact CD1-CH2 3.85Å; F364-W444 AromaticContact CD1-CZ2 3.75Å; F364-W444 HydrophobicContact CD1-CZ2 3.75Å; F364-W444 HydrophobicContact CE1-CH2 4.3Å; F364-W444 HydrophobicContact CE1-CZ2 4.07Å; V377-W444 HydrophobicContact CG2-CZ2 3.99Å; T392-W444 PolarHBondContact OG1-NE1 2.86Å; T393-W444 PolarHBondContact O-N 2.96Å; A395-W444 PolarHBondContact N-O 2.98Å; A395-W444 WeakPolarHBondContact O-CB 3.48Å; P397-W444 HydrophobicContact CG-CD2 4.24Å; P397-W444 HydrophobicContact CG-CE3 4.14Å; P397-W444 HydrophobicContact CG-CH2 4.22Å; P397-W444 HydrophobicContact CG-CZ2 4.31Å; P397-W444 HydrophobicContact CG-CZ3 4.12Å; F416-W444 HydrophobicContact CB-CZ3 4.42Å; F416-W444 HydrophobicContact CD1-CH2 4.19Å; F416-W444 HydrophobicContact CD1-CZ3 4.37Å; F416-W444 AromaticContact CD2-CH2 3.76Å; F416-W444 HydrophobicContact CD2-CH2 3.76Å; F416-W444 AromaticContact CD2-CZ3 3.41Å; F416-W444 HydrophobicContact CD2-CZ3 3.41Å; F416-W444 VanDerWaalsContact CD2-CZ3 3.41Å; F416-W444 HydrophobicContact CE1-CH2 4.05Å; F416-W444 AromaticContact CE2-CH2 3.56Å; F416-W444 HydrophobicContact CE2-CH2 3.56Å; F416-W444 AromaticContact CE2-CZ3 3.64Å; F416-W444 HydrophobicContact CE2-CZ3 3.64Å; F416-W444 HydrophobicContact CG-CH2 4.09Å; F416-W444 AromaticContact CG-CZ3 3.82Å; F416-W444 HydrophobicContact CG-CZ3 3.82Å; F416-W444 AromaticContact CZ-CH2 3.74Å; F416-W444 HydrophobicContact CZ-CH2 3.74Å; F416-W444 HydrophobicContact CZ-CZ3 4.26Å; L436-W444 CarbonylContact O-C 3.54Å; L436-W444 WeakPolarHBondContact O-CA 3.39Å; Y437-W444 AromaticContact CD2-CD1 3.86Å; Y437-W444 AromaticContact CD2-CD2 3.58Å; Y437-W444 HydrophobicContact CD2-CD2 3.58Å; Y437-W444 AromaticContact CD2-CE2 3.36Å; Y437-W444 HydrophobicContact CD2-CE3 4.16Å; Y437-W444 AromaticContact CD2-CG 3.9Å; Y437-W444 HydrophobicContact CD2-CG 3.9Å; Y437-W444 HydrophobicContact CD2-CH2 4.34Å; Y437-W444 AromaticContact CD2-CZ2 3.78Å; Y437-W444 HydrophobicContact CD2-CZ2 3.78Å; Y437-W444 AromaticContact CD2-NE1 3.55Å; Y437-W444 HydrophobicContact CE2-CD2 4.48Å; Y437-W444 AromaticContact CE2-CE2 3.92Å; Y437-W444 HydrophobicContact CE2-CZ2 4.33Å; Y437-W444 AromaticContact CE2-NE1 3.71Å; Y437-W444 HydrophobicContact CG-CD2 4.23Å; Y437-W444 HydrophobicContact CG-CE3 4.38Å; Y437-W444 HydrophobicContact CG-CH2 4.28Å; Y437-W444 HydrophobicContact CG-CZ2 4.13Å; Y437-W444 HydrophobicContact CG-CZ3 4.42Å
445	K	93.8	Very high	92	Very high	65 Å²	65	33.1 Å²	33.1	28%	0.283	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.3	169	-63.4	-174.6	-173.2	169.7	0	110.5	Y435 L436 S619 E621	Y435-K445 WeakPolarHBondContact CA-O 3.32Å; L436-K445 HydrophobicContact CB-CB 4.41Å; L436-K445 HydrophobicContact CD2-CD 4.36Å; L436-K445 PolarHBondContact N-O 3.16Å; L436-K445 PolarHBondContact O-N 3.21Å; K445-S619 WeakPolarHBondContact CA-O 3.46Å; K445-S619 WeakPolarHBondContact CB-O 3.49Å; K445-E621 HydrophobicContact CD-CB 4.37Å; K445-E621 WeakPolarHBondContact CD-OE2 3.13Å; K445-E621 IonicContact NZ-OE1 3.85Å; K445-E621 PolarHBondContact NZ-OE1 3.27Å; K445-E621 IonicContact NZ-OE2 3.04Å; K445-E621 PolarHBondContact NZ-OE2 3.41Å
446	L	93	Very high	91.7	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.8	172.3	-179.3	64.2	0	0	0	109.6	A395 Y435 L606 T616 S619 I620 E621	A395-L446 HydrophobicContact CB-CB 3.96Å; Y435-L446 HydrophobicContact CD1-CD1 4.21Å; Y435-L446 HydrophobicContact CE1-CB 4.29Å; Y435-L446 HydrophobicContact CE1-CD1 3.81Å; Y435-L446 HydrophobicContact CE2-CD1 4.24Å; L446-L606 HydrophobicContact CD2-CD1 4.25Å; L446-T616 HydrophobicContact CB-CG2 4.27Å; L446-T616 HydrophobicContact CD2-CG2 3.83Å; L446-S619 PolarHBondContact N-O 3.45Å; L446-I620 HydrophobicContact CB-CG1 4.43Å; L446-E621 PolarHBondContact O-N 3.22Å
447	L	91.8	Very high	91.4	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	164.4	178	-59.8	-179.1	0	0	0	110.7	Y415 L434 L436 S449 E621	Y415-L447 HydrophobicContact CD1-CD1 3.89Å; Y415-L447 HydrophobicContact CE1-CD1 3.72Å; L434-L447 HydrophobicContact CB-CB 4.11Å; L434-L447 HydrophobicContact CD2-CB 3.78Å; L434-L447 HydrophobicContact CD2-CD1 3.68Å; L434-L447 HydrophobicContact CD2-CG 4.37Å; L434-L447 HydrophobicContact CG-CB 3.93Å; L434-L447 HydrophobicContact CG-CD1 3.91Å; L434-L447 HydrophobicContact CG-CG 4.44Å; L434-L447 WeakPolarHBondContact O-CB 3.12Å; L434-L447 PolarHBondContact O-N 2.85Å; L436-L447 HydrophobicContact CB-CD1 3.9Å; L436-L447 HydrophobicContact CB-CG 4.26Å; L447-S449 PolarHBondContact O-N 3.13Å; L447-E621 HydrophobicContact CD2-CB 3.56Å; L447-E621 HydrophobicContact CD2-CG 4.23Å; L447-E621 WeakPolarHBondContact CD2-OE2 3.4Å
448	P	88.1	Confident	91.2	Very high	23 Å²	23	32.1 Å²	32.1	15%	0.149	17%	0.173	C	C	.	.			trans	-56.7	128.6	177.3	-26.6	36.7	0	0	0	112.5	W499	P448-W499 PolarHBondContact O-NE1 2.94Å
449	S	89.4	Confident	91.2	Very high	16 Å²	16	31.3 Å²	31.3	11%	0.112	17%	0.17	C	C	.	.			trans	-67.1	147.5	177.5	162.8	0	0	0	0	111.4	D432 L447 G451 G603 R604	D432-S449 PolarHBondContact O-OG 3.41Å; D432-S449 PolarHBondContact OD1-OG 3.1Å; D432-S449 PolarHBondContact OD2-OG 3.48Å; L447-S449 PolarHBondContact O-N 3.13Å; S449-G451 VanDerWaalsContact C-N 3.27Å; S449-G451 PolarHBondContact O-N 3.4Å; S449-G451 PolarHBondContact OG-N 2.76Å; S449-G603 WeakPolarHBondContact O-CA 3.06Å; S449-R604 PolarHBondContact O-N 3.24Å
450	S	89.1	Confident	91.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.166	C	C	.	.			trans	-71.2	-21.1	177.1	66.9	0	0	0	0	113.2	Y417 F452	Y417-S450 WeakPolarHBondContact OH-CB 3.37Å; Y417-S450 PolarHBondContact OH-OG 3.34Å; S450-F452 VanDerWaalsContact C-N 3.26Å; S450-F452 WeakPolarHBondContact O-CD2 3.24Å; S450-F452 WeakPolarHBondContact OG-CB 3.15Å; S450-F452 PolarHBondContact OG-N 2.96Å
451	G	85.1	Confident	91.1	Very high	17 Å²	17	27.2 Å²	27.2	18%	0.175	13%	0.134	C	C	.	.	S	Bend	trans	78.8	6.9	-168	0	0	0	0	0	114.2	D432 S449	D432-G451 WeakPolarHBondContact OD2-CA 3.47Å; D432-G451 PolarHBondContact OD2-N 2.99Å; S449-G451 VanDerWaalsContact C-N 3.27Å; S449-G451 PolarHBondContact O-N 3.4Å; S449-G451 PolarHBondContact OG-N 2.76Å
452	F	84	Confident	90.9	Very high	56 Å²	56	21.4 Å²	21.4	25%	0.246	11%	0.109	C	C	.	.			trans	-134.9	82.2	-163.2	-80.1	-57.2	0	0	0	112.9	Y417 D432 S450 S454 R470 L490	Y417-F452 PolarHBondContact OH-O 3.42Å; D432-F452 PolarHBondContact OD2-N 3.38Å; S450-F452 VanDerWaalsContact C-N 3.26Å; S450-F452 WeakPolarHBondContact O-CD2 3.24Å; S450-F452 WeakPolarHBondContact OG-CB 3.15Å; S450-F452 PolarHBondContact OG-N 2.96Å; F452-S454 PolarHBondContact O-N 2.9Å; F452-S454 PolarHBondContact O-OG 2.86Å; F452-S454 VanDerWaalsContact O-OG 3.09Å; F452-R470 VanDerWaalsContact CG-NH1 3.33Å; F452-L490 HydrophobicContact CB-CD1 3.88Å; F452-L490 HydrophobicContact CB-CD2 4.46Å; F452-L490 HydrophobicContact CD2-CD2 3.86Å; F452-L490 HydrophobicContact CE2-CD2 4.42Å; F452-L490 HydrophobicContact CG-CD2 4.29Å
453	P	85.1	Confident	90.4	Very high	30 Å²	30	18.1 Å²	18.1	20%	0.195	10%	0.1	C	C	.	.			trans	-56.5	139.2	-176.5	-28.7	35.3	0	0	0	113	M430 V431 D432 H472	M430-P453 HydrophobicContact CB-CB 3.82Å; V431-P453 WeakPolarHBondContact O-CA 3.14Å; D432-P453 HydrophobicContact CB-CG 4.1Å; P453-H472 PolarHBondContact O-ND1 3.26Å
454	S	87.3	Confident	90.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.			trans	-140.3	136.6	-173.1	-59.9	0	0	0	0	110.8	G419 V431 F452 H457	G419-S454 PolarHBondContact N-O 3.14Å; V431-S454 PolarHBondContact O-N 3.22Å; F452-S454 PolarHBondContact O-N 2.9Å; F452-S454 PolarHBondContact O-OG 2.86Å; F452-S454 VanDerWaalsContact O-OG 3.09Å; S454-H457 WeakPolarHBondContact CB-ND1 3.44Å; S454-H457 PolarHBondContact O-ND1 3.08Å
455	F	86.8	Confident	89.9	Confident	20 Å²	20	16.6 Å²	16.6	9%	0.088	9%	0.094	C	C	.	.	S	Bend	trans	-139.6	139.2	-176.2	174.9	-123.1	0	0	0	111.1	Y401 F420 M430 H457 V744	Y401-F455 AromaticContact CD1-CE2 3.59Å; Y401-F455 HydrophobicContact CD1-CE2 3.59Å; Y401-F455 AromaticContact CD1-CZ 3.98Å; Y401-F455 HydrophobicContact CD1-CZ 3.98Å; Y401-F455 AromaticContact CE1-CE2 3.74Å; Y401-F455 HydrophobicContact CE1-CE2 3.74Å; Y401-F455 AromaticContact CE1-CZ 3.77Å; Y401-F455 HydrophobicContact CE1-CZ 3.77Å; F420-F455 HydrophobicContact CB-CD2 3.7Å; F420-F455 HydrophobicContact CB-CE2 3.74Å; F420-F455 HydrophobicContact CB-CG 4.43Å; F420-F455 HydrophobicContact CB-CZ 4.45Å; M430-F455 HydrophobicContact CG-CB 3.91Å; M430-F455 HydrophobicContact SD-CB 3.76Å; F455-H457 PolarHBondContact O-N 2.76Å; F455-V744 HydrophobicContact CE1-CG2 4.01Å; F455-V744 HydrophobicContact CZ-CG1 4.35Å
456	L	89.5	Confident	89.9	Confident	12 Å²	12	13.5 Å²	13.5	6%	0.063	8%	0.08	C	C	.	.	S	Bend	trans	49.3	32.9	-173.9	-64.6	174.4	0	0	0	112.7	Y401 G402 Y515 G516	Y401-L456 HydrophobicContact CE1-CD2 4.14Å; G402-L456 PolarHBondContact O-N 2.78Å; G402-L456 VanDerWaalsContact O-N 3.09Å; L456-Y515 HydrophobicContact CB-CD2 4.06Å; L456-Y515 HydrophobicContact CD1-CD2 3.77Å; L456-Y515 HydrophobicContact CD1-CE2 4.11Å; L456-G516 PolarHBondContact O-N 3.48Å
457	H	91.7	Very high	90	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.037	8%	0.076	C	C	.	.			trans	-86	178.1	177.2	62.8	-84.3	0	0	0	109.7	T404 Y417 S454 F455 V468 L469 R470	T404-H457 WeakPolarHBondContact CB-NE2 3.11Å; T404-H457 PolarHBondContact OG1-CD2 3Å; T404-H457 PolarHBondContact OG1-NE2 3.3Å; T404-H457 VanDerWaalsContact OG1-NE2 3.1Å; T404-H457 PolarHBondContact OG1-O 3.5Å; Y417-H457 AromaticContact CD1-NE2 3.51Å; Y417-H457 PolarHBondContact O-CE1 3.3Å; Y417-H457 PolarHBondContact O-NE2 2.07Å; Y417-H457 VanDerWaalsContact O-NE2 3.12Å; S454-H457 WeakPolarHBondContact CB-ND1 3.44Å; S454-H457 PolarHBondContact O-ND1 3.08Å; F455-H457 PolarHBondContact O-N 2.76Å; H457-V468 VanDerWaalsContact CD2-CG1 3.49Å; H457-V468 WeakPolarHBondContact CD2-CG1 3.42Å; H457-L469 WeakPolarHBondContact CB-O 3.4Å; H457-R470 HydrophobicContact CB-CB 4.28Å
458	S	93.6	Very high	90	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158	168.4	57.9	0	0	0	0	111.1	L469 H517 T519	S458-L469 PolarHBondContact N-O 2.89Å; S458-L469 PolarHBondContact O-N 3.14Å; S458-H517 WeakPolarHBondContact CB-O 3.32Å; S458-H517 PolarHBondContact OG-CD2 2.82Å; S458-H517 PolarHBondContact OG-NE2 2.81Å; S458-H517 VanDerWaalsContact OG-NE2 3.16Å; S458-H517 PolarHBondContact OG-O 3.39Å; S458-T519 WeakPolarHBondContact CB-OG1 3.48Å; S458-T519 WeakPolarHBondContact OG-CG2 3.38Å; S458-T519 PolarHBondContact OG-OG1 3.22Å
459	A	95.3	Very high	90	Very high	7 Å²	7	11.8 Å²	11.8	6%	0.058	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.1	-175.5	0	0	0	0	0	110.5	T404 V406 M466 I467 V468 T519	T404-A459 HydrophobicContact CG2-CB 3.67Å; V406-A459 HydrophobicContact CG1-CB 3.97Å; V406-A459 WeakPolarHBondContact CG1-O 3.49Å; A459-M466 HydrophobicContact CB-CE 3.8Å; A459-I467 CarbonylContact C-O 3.54Å; A459-I467 WeakPolarHBondContact CA-O 3.45Å; A459-I467 WeakPolarHBondContact CB-O 3.46Å; A459-V468 HydrophobicContact CB-CB 4.36Å; A459-V468 HydrophobicContact CB-CG1 4.38Å; A459-V468 HydrophobicContact CB-CG2 3.93Å; A459-T519 VanDerWaalsContact C-OG1 3.31Å; A459-T519 PolarHBondContact N-OG1 3.04Å; A459-T519 PolarHBondContact O-OG1 3.23Å
460	A	95.3	Very high	89.2	Confident	6 Å²	6	11.3 Å²	11.3	5%	0.05	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.2	176.1	0	0	0	0	0	109.7	M466 I467 V521 M526	A460-M466 CarbonylContact O-C 3.57Å; A460-M466 WeakPolarHBondContact O-CA 3.42Å; A460-I467 PolarHBondContact N-O 3.02Å; A460-I467 PolarHBondContact O-N 2.04Å; A460-V521 HydrophobicContact CB-CG2 3.65Å; A460-M526 HydrophobicContact CB-CE 3.79Å; A460-M526 HydrophobicContact CB-CG 4.04Å; A460-M526 HydrophobicContact CB-SD 3.85Å
461	I	94.6	Very high	87.8	Confident	24 Å²	24	11.5 Å²	11.5	12%	0.123	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	171	-68.5	172.7	0	0	0	108.6	V406 D408 Y415 I465 M466 I494	V406-I461 HydrophobicContact CB-CD1 3.99Å; V406-I461 HydrophobicContact CB-CG1 4.07Å; V406-I461 HydrophobicContact CG2-CD1 3.62Å; V406-I461 HydrophobicContact CG2-CG1 3.78Å; D408-I461 HydrophobicContact CB-CD1 3.82Å; Y415-I461 HydrophobicContact CD2-CD1 4.18Å; I461-I465 WeakPolarHBondContact CA-O 3.49Å; I461-M466 HydrophobicContact CG1-CB 4.08Å; I461-I494 HydrophobicContact CD1-CD1 3.89Å; I461-I494 HydrophobicContact CG1-CD1 4.22Å; I461-I494 HydrophobicContact CG2-CD1 4.11Å
462	L	90.1	Very high	86.1	Confident	3 Å²	3	12 Å²	12	2%	0.016	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.9	172.4	-67.8	175.4	0	0	0	109.2	G464 I465 I467 V521 M526 F543 P545	L462-G464 VanDerWaalsContact C-N 3.3Å; L462-G464 PolarHBondContact O-N 3.3Å; L462-G464 VanDerWaalsContact O-N 3.1Å; L462-I465 PolarHBondContact N-O 3.46Å; L462-I465 PolarHBondContact O-N 2.96Å; L462-I467 HydrophobicContact CB-CD1 4.38Å; L462-I467 HydrophobicContact CD1-CD1 3.71Å; L462-I467 HydrophobicContact CG-CD1 4.38Å; L462-V521 HydrophobicContact CD2-CB 4.3Å; L462-V521 HydrophobicContact CD2-CG1 3.57Å; L462-V521 HydrophobicContact CD2-CG2 3.71Å; L462-V521 HydrophobicContact CG-CG2 4.4Å; L462-M526 HydrophobicContact CD1-CB 3.69Å; L462-M526 HydrophobicContact CD1-SD 4.44Å; L462-M526 HydrophobicContact CD2-CB 4.46Å; L462-M526 HydrophobicContact CG-CB 4.39Å; L462-F543 HydrophobicContact CD1-CD1 3.73Å; L462-F543 HydrophobicContact CD1-CE1 3.93Å; L462-P545 HydrophobicContact CB-CG 4.35Å; L462-P545 HydrophobicContact CD1-CG 3.58Å; L462-P545 HydrophobicContact CG-CG 4.42Å
463	S	84.7	Confident	84.3	Confident	20 Å²	20	10.4 Å²	10.4	14%	0.14	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.2	52.9	174.1	-56.6	0	0	0	0	114	K565 E577	S463-K565 WeakPolarHBondContact O-CB 3.42Å; S463-K565 PolarHBondContact O-N 3.24Å; S463-E577 PolarHBondContact OG-OE2 3.08Å
464	G	88.6	Confident	82.4	Confident	3 Å²	3	16.6 Å²	16.6	3%	0.031	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	1.4	176.1	0	0	0	0	0	116.5	L462 I494	L462-G464 VanDerWaalsContact C-N 3.3Å; L462-G464 PolarHBondContact O-N 3.3Å; L462-G464 VanDerWaalsContact O-N 3.1Å; G464-I494 WeakPolarHBondContact O-CB 3.17Å; G464-I494 PolarHBondContact O-N 2.9Å
465	I	91.6	Very high	80.3	Confident	15 Å²	15	19.8 Å²	19.8	8%	0.077	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.1	175.5	-58.8	-175.4	0	0	0	109.5	I461 L462 I467 T491 Y492 K565	I461-I465 WeakPolarHBondContact CA-O 3.49Å; L462-I465 PolarHBondContact N-O 3.46Å; L462-I465 PolarHBondContact O-N 2.96Å; I465-I467 HydrophobicContact CG2-CG1 4.16Å; I465-T491 HydrophobicContact CG2-CG2 3.96Å; I465-Y492 WeakPolarHBondContact CA-O 3.38Å; I465-K565 HydrophobicContact CD1-CB 4.35Å; I465-K565 HydrophobicContact CG1-CB 3.95Å
466	M	94.3	Very high	78.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.7	167.2	173.1	178.6	178.6	0	0	109	V406 Y417 L434 A459 A460 I461 V468 T491 Y492	V406-M466 HydrophobicContact CG2-CE 3.9Å; V406-M466 HydrophobicContact CG2-CG 4.13Å; V406-M466 HydrophobicContact CG2-SD 3.77Å; Y417-M466 HydrophobicContact CG-CE 4.42Å; L434-M466 HydrophobicContact CD1-SD 4.34Å; A459-M466 HydrophobicContact CB-CE 3.8Å; A460-M466 CarbonylContact O-C 3.57Å; A460-M466 WeakPolarHBondContact O-CA 3.42Å; I461-M466 HydrophobicContact CG1-CB 4.08Å; M466-V468 HydrophobicContact CE-CG2 3.85Å; M466-V468 HydrophobicContact CG-CG2 4.19Å; M466-T491 CarbonylContact O-C 3.47Å; M466-T491 VanDerWaalsContact O-CA 3.32Å; M466-T491 WeakPolarHBondContact O-CA 3.17Å; M466-Y492 PolarHBondContact N-O 3.29Å; M466-Y492 PolarHBondContact O-N 3.19Å
467	I	93.5	Very high	76.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.6	178.1	-54.3	-174.9	0	0	0	108.2	A459 A460 L462 I465 L469 I489 T491 M526 F543	A459-I467 CarbonylContact C-O 3.54Å; A459-I467 WeakPolarHBondContact CA-O 3.45Å; A459-I467 WeakPolarHBondContact CB-O 3.46Å; A460-I467 PolarHBondContact N-O 3.02Å; A460-I467 PolarHBondContact O-N 2.04Å; L462-I467 HydrophobicContact CB-CD1 4.38Å; L462-I467 HydrophobicContact CD1-CD1 3.71Å; L462-I467 HydrophobicContact CG-CD1 4.38Å; I465-I467 HydrophobicContact CG2-CG1 4.16Å; I467-L469 HydrophobicContact CG2-CD2 4.36Å; I467-I489 HydrophobicContact CG2-CG2 3.47Å; I467-I489 VanDerWaalsContact CG2-CG2 3.47Å; I467-T491 HydrophobicContact CG1-CG2 4.26Å; I467-M526 HydrophobicContact CB-SD 4.28Å; I467-M526 HydrophobicContact CG2-CE 4.48Å; I467-M526 HydrophobicContact CG2-SD 4.21Å; I467-F543 HydrophobicContact CD1-CD1 4.05Å; I467-F543 HydrophobicContact CD1-CE1 3.46Å; I467-F543 VanDerWaalsContact CD1-CE1 3.46Å; I467-F543 HydrophobicContact CD1-CZ 4.27Å
468	V	92.7	Very high	74	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.8	179.4	-171	0	0	0	0	109.8	Y417 H457 A459 M466 L490 W499	Y417-V468 HydrophobicContact CD1-CG1 3.86Å; Y417-V468 HydrophobicContact CD1-CG2 4.1Å; Y417-V468 HydrophobicContact CE1-CG1 3.85Å; Y417-V468 HydrophobicContact CE1-CG2 4.38Å; H457-V468 VanDerWaalsContact CD2-CG1 3.49Å; H457-V468 WeakPolarHBondContact CD2-CG1 3.42Å; A459-V468 HydrophobicContact CB-CB 4.36Å; A459-V468 HydrophobicContact CB-CG1 4.38Å; A459-V468 HydrophobicContact CB-CG2 3.93Å; M466-V468 HydrophobicContact CE-CG2 3.85Å; M466-V468 HydrophobicContact CG-CG2 4.19Å; V468-L490 HydrophobicContact CB-CB 4.18Å; V468-L490 PolarHBondContact N-O 3.45Å; V468-L490 PolarHBondContact O-N 3.19Å; V468-L490 VanDerWaalsContact O-N 3.11Å; V468-W499 HydrophobicContact CG2-CZ3 4.35Å
469	L	88.4	Confident	71.8	Confident	9 Å²	9	36.9 Å²	36.9	5%	0.047	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.5	174	-58.4	-178.4	0	0	0	108.4	W234 H457 S458 I467 I489 H517 T519 M526 L528	W234-L469 HydrophobicContact CH2-CD1 3.85Å; W234-L469 HydrophobicContact CH2-CD2 3.8Å; W234-L469 HydrophobicContact CZ2-CD2 4.14Å; W234-L469 HydrophobicContact CZ3-CD1 4.48Å; H457-L469 WeakPolarHBondContact CB-O 3.4Å; S458-L469 PolarHBondContact N-O 2.89Å; S458-L469 PolarHBondContact O-N 3.14Å; I467-L469 HydrophobicContact CG2-CD2 4.36Å; L469-I489 HydrophobicContact CD2-CB 4.3Å; L469-I489 HydrophobicContact CD2-CD1 4.18Å; L469-I489 HydrophobicContact CD2-CG1 3.68Å; L469-I489 HydrophobicContact CD2-CG2 3.81Å; L469-H517 PolarHBondContact O-CE1 3.14Å; L469-H517 PolarHBondContact O-NE2 3.09Å; L469-T519 HydrophobicContact CD1-CG2 3.76Å; L469-M526 HydrophobicContact CD1-CE 3.45Å; L469-M526 VanDerWaalsContact CD1-CE 3.45Å; L469-M526 HydrophobicContact CD1-SD 4.48Å; L469-M526 HydrophobicContact CG-CE 3.7Å; L469-L528 HydrophobicContact CD1-CB 4.47Å; L469-L528 HydrophobicContact CD1-CD1 3.51Å
470	R	71.4	Confident	69.5	Low	6 Å²	6	44.5 Å²	44.5	2%	0.023	26%	0.263	C	S	.	.			trans	-119.1	161.9	-169.6	64.2	168.1	-177.2	153.9	-6.4	112.6	F452 H457 H472 I486 D487 S488	F452-R470 VanDerWaalsContact CG-NH1 3.33Å; H457-R470 HydrophobicContact CB-CB 4.28Å; R470-H472 VanDerWaalsContact NH1-CB 3.26Å; R470-H472 PolarHBondContact NH1-ND1 3.01Å; R470-I486 WeakPolarHBondContact O-CD1 3.18Å; R470-I486 WeakPolarHBondContact O-CG1 3.35Å; R470-D487 IonicContact NH2-OD1 2.77Å; R470-S488 PolarHBondContact NE-O 2.87Å; R470-S488 PolarHBondContact NH2-OG 2.72Å
471	G	60.6	Low	67.2	Low	5 Å²	5	45.1 Å²	45.1	5%	0.052	27%	0.267	C	S	.	.			trans	-104.6	140.9	149.8	0	0	0	0	0	110.9	I486	G471-I486 VanDerWaalsContact CA-CG1 3.47Å
472	H	49.4	Very low	64.9	Low	29 Å²	29	44.7 Å²	44.7	13%	0.134	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134	-177.3	177	64.2	0	0	0	113.8	P453 R470 R474 F484 V485	P453-H472 PolarHBondContact O-ND1 3.26Å; R470-H472 VanDerWaalsContact NH1-CB 3.26Å; R470-H472 PolarHBondContact NH1-ND1 3.01Å; H472-R474 PolarHBondContact O-N 2.9Å; H472-F484 CarbonylContact O-C 3.6Å; H472-F484 VanDerWaalsContact O-CA 3.23Å; H472-F484 WeakPolarHBondContact O-CA 3.34Å; H472-V485 PolarHBondContact N-O 3.03Å; H472-V485 PolarHBondContact O-N 2.88Å; H472-V485 VanDerWaalsContact O-O 3.07Å
473	A	46.8	Very low	62.9	Low	21 Å²	21	49.3 Å²	49.3	17%	0.174	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	103.8	170.5	0	0	0	0	0	111.8	M430 G475 K483 F484	M430-A473 HydrophobicContact CE-CB 4Å; A473-G475 PolarHBondContact O-N 3.33Å; A473-K483 CarbonylContact C-O 3.54Å; A473-K483 VanDerWaalsContact CA-O 3.31Å; A473-K483 WeakPolarHBondContact CA-O 3.31Å; A473-F484 HydrophobicContact CB-CD1 3.82Å; A473-F484 HydrophobicContact CB-CD2 4.12Å; A473-F484 HydrophobicContact CB-CE1 3.69Å; A473-F484 HydrophobicContact CB-CE2 3.96Å; A473-F484 HydrophobicContact CB-CG 4.04Å; A473-F484 HydrophobicContact CB-CZ 3.77Å; A473-F484 VanDerWaalsContact N-CD1 3.28Å
474	R	44.2	Very low	61.2	Low	160 Å²	160	49.2 Å²	49.2	60%	0.604	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	122.8	164.4	-161.7	178.8	-178.2	118.6	-0	109.2	H472 S476 G482 K483	H472-R474 PolarHBondContact O-N 2.9Å; R474-S476 PolarHBondContact O-N 2.83Å; R474-S476 VanDerWaalsContact O-N 3.16Å; R474-G482 CarbonylContact O-C 3.56Å; R474-G482 WeakPolarHBondContact O-CA 3.36Å; R474-K483 WeakPolarHBondContact CA-O 2.84Å; R474-K483 HydrophobicContact CB-CB 4.42Å; R474-K483 WeakPolarHBondContact CB-O 3.5Å; R474-K483 PolarHBondContact N-O 3.48Å; R474-K483 PolarHBondContact O-N 2.75Å
475	G	44.1	Very low	59.3	Low	67 Å²	67	50.5 Å²	50.5	69%	0.691	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-56.9	118.9	172.7	0	0	0	0	0	110.6	A473	A473-G475 PolarHBondContact O-N 3.33Å
476	S	42.1	Very low	57.6	Low	58 Å²	58	50.7 Å²	50.7	41%	0.406	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-75.3	162.9	156.4	167.1	0	0	0	0	108.1	R474 N478 C481	R474-S476 PolarHBondContact O-N 2.83Å; R474-S476 VanDerWaalsContact O-N 3.16Å; S476-N478 WeakPolarHBondContact CB-O 3.4Å; S476-N478 CarbonylContact O-C 3.42Å; S476-N478 PolarHBondContact O-N 2.88Å; S476-N478 PolarHBondContact OG-N 2.88Å; S476-C481 WeakPolarHBondContact CB-O 3.32Å
477	S	46.1	Very low	55.9	Low	129 Å²	129	54.6 Å²	54.6	90%	0.902	32%	0.315	S	S	*	.	S	Bend	trans	-50.9	-23.9	168.9	-169.3	0	0	0	0	112.3
478	N	46	Very low	54.8	Low	93 Å²	93	55.2 Å²	55.2	50%	0.497	32%	0.319	S	S	.	.	S	Bend	trans	-101.3	119.9	165.2	-84.1	-8.9	0	0	0	110.7	S476 K480 C481	S476-N478 WeakPolarHBondContact CB-O 3.4Å; S476-N478 CarbonylContact O-C 3.42Å; S476-N478 PolarHBondContact O-N 2.88Å; S476-N478 PolarHBondContact OG-N 2.88Å; N478-K480 PolarHBondContact O-N 2.79Å; N478-K480 VanDerWaalsContact O-N 3.14Å; N478-C481 HydrophobicContact CB-CB 4.24Å; N478-C481 PolarHBondContact O-N 2.93Å
479	S	47.5	Very low	54.5	Low	120 Å²	120	55.4 Å²	55.4	84%	0.839	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-55	-28.8	172.7	53.5	0	0	0	0	113.3	C481	S479-C481 VanDerWaalsContact C-N 3.34Å; S479-C481 PolarHBondContact O-N 3.43Å
480	K	46.7	Very low	54.5	Low	167 Å²	167	55.1 Å²	55.1	73%	0.726	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69.6	-24.5	175.7	-69.5	-174	176.5	-177.3	0	114.3	N478	N478-K480 PolarHBondContact O-N 2.79Å; N478-K480 VanDerWaalsContact O-N 3.14Å
481	C	47.5	Very low	55.5	Low	19 Å²	19	55 Å²	55	13%	0.128	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-116.6	34.6	-168.6	-56.4	0	0	0	0	112	E102 C156 S476 N478 S479	E102-C481 PolarHBondContact O-SG 3.35Å; C156-C481 HydrophobicContact CB-CB 4.24Å; C156-C481 WeakPolarHBondContact CB-SG 3.34Å; C156-C481 WeakPolarHBondContact SG-CB 3.02Å; C156-C481 CovalentContact SG-SG 2.07Å; C156-C481 PolarHBondContact SG-SG 2.83Å; S476-C481 WeakPolarHBondContact CB-O 3.32Å; N478-C481 HydrophobicContact CB-CB 4.24Å; N478-C481 PolarHBondContact O-N 2.93Å; S479-C481 VanDerWaalsContact C-N 3.34Å; S479-C481 PolarHBondContact O-N 3.43Å
482	G	46.8	Very low	56.9	Low	15 Å²	15	55.1 Å²	55.1	16%	0.155	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-68.4	137.6	-179.5	0	0	0	0	0	113.8	S127 R474	S127-G482 VanDerWaalsContact CB-O 3.27Å; S127-G482 WeakPolarHBondContact CB-O 3.25Å; S127-G482 PolarHBondContact OG-O 2.87Å; R474-G482 CarbonylContact O-C 3.56Å; R474-G482 WeakPolarHBondContact O-CA 3.36Å
483	K	48.1	Very low	58.9	Low	100 Å²	100	54 Å²	54	44%	0.435	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.7	-177.3	-72	-178.8	175	178	0	112	A473 R474 V485	A473-K483 CarbonylContact C-O 3.54Å; A473-K483 VanDerWaalsContact CA-O 3.31Å; A473-K483 WeakPolarHBondContact CA-O 3.31Å; R474-K483 WeakPolarHBondContact CA-O 2.84Å; R474-K483 HydrophobicContact CB-CB 4.42Å; R474-K483 WeakPolarHBondContact CB-O 3.5Å; R474-K483 PolarHBondContact N-O 3.48Å; R474-K483 PolarHBondContact O-N 2.75Å; K483-V485 PolarHBondContact O-N 3.01Å
484	F	48	Very low	61	Low	18 Å²	18	54.2 Å²	54.2	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.5	173.7	-76.8	-87.4	0	0	0	112.3	S127 F128 M430 H472 A473	S127-F484 WeakPolarHBondContact OG-CD2 3.44Å; S127-F484 PolarHBondContact OG-N 3.25Å; F128-F484 HydrophobicContact CD1-CB 3.59Å; F128-F484 HydrophobicContact CD1-CG 4.11Å; F128-F484 HydrophobicContact CD2-CB 4.4Å; F128-F484 HydrophobicContact CD2-CD2 4.08Å; F128-F484 HydrophobicContact CD2-CG 4.33Å; F128-F484 HydrophobicContact CE1-CB 3.52Å; F128-F484 AromaticContact CE1-CD1 3.75Å; F128-F484 HydrophobicContact CE1-CD1 3.75Å; F128-F484 HydrophobicContact CE1-CD2 4.26Å; F128-F484 HydrophobicContact CE1-CE1 4.49Å; F128-F484 AromaticContact CE1-CG 3.61Å; F128-F484 HydrophobicContact CE1-CG 3.61Å; F128-F484 HydrophobicContact CE2-CB 4.34Å; F128-F484 HydrophobicContact CE2-CD1 4.28Å; F128-F484 AromaticContact CE2-CD2 3.64Å; F128-F484 HydrophobicContact CE2-CD2 3.64Å; F128-F484 HydrophobicContact CE2-CE1 4.48Å; F128-F484 AromaticContact CE2-CE2 3.92Å; F128-F484 HydrophobicContact CE2-CE2 3.92Å; F128-F484 AromaticContact CE2-CG 3.86Å; F128-F484 HydrophobicContact CE2-CG 3.86Å; F128-F484 HydrophobicContact CE2-CZ 4.31Å; F128-F484 HydrophobicContact CG-CB 4.04Å; F128-F484 HydrophobicContact CG-CG 4.44Å; F128-F484 HydrophobicContact CZ-CB 3.92Å; F128-F484 AromaticContact CZ-CD1 3.53Å; F128-F484 HydrophobicContact CZ-CD1 3.53Å; F128-F484 AromaticContact CZ-CD2 3.75Å; F128-F484 HydrophobicContact CZ-CD2 3.75Å; F128-F484 AromaticContact CZ-CE1 3.85Å; F128-F484 HydrophobicContact CZ-CE1 3.85Å; F128-F484 HydrophobicContact CZ-CE2 4.1Å; F128-F484 AromaticContact CZ-CG 3.47Å; F128-F484 HydrophobicContact CZ-CG 3.47Å; F128-F484 VanDerWaalsContact CZ-CG 3.47Å; F128-F484 HydrophobicContact CZ-CZ 4.12Å; M430-F484 HydrophobicContact CE-CE1 3.51Å; M430-F484 HydrophobicContact CE-CE2 4.4Å; M430-F484 HydrophobicContact CE-CZ 3.26Å; M430-F484 HydrophobicContact SD-CE1 3.54Å; M430-F484 VanDerWaalsContact SD-CE1 3.54Å; M430-F484 HydrophobicContact SD-CZ 3.55Å; M430-F484 VanDerWaalsContact SD-CZ 3.55Å; H472-F484 CarbonylContact O-C 3.6Å; H472-F484 VanDerWaalsContact O-CA 3.23Å; H472-F484 WeakPolarHBondContact O-CA 3.34Å; A473-F484 HydrophobicContact CB-CD1 3.82Å; A473-F484 HydrophobicContact CB-CD2 4.12Å; A473-F484 HydrophobicContact CB-CE1 3.69Å; A473-F484 HydrophobicContact CB-CE2 3.96Å; A473-F484 HydrophobicContact CB-CG 4.04Å; A473-F484 HydrophobicContact CB-CZ 3.77Å; A473-F484 VanDerWaalsContact N-CD1 3.28Å
485	V	49.8	Very low	63	Low	29 Å²	29	49.3 Å²	49.3	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.4	180	-177.6	0	0	0	0	109.7	E131 H472 K483 D487	E131-V485 WeakPolarHBondContact OE1-CG2 3.04Å; E131-V485 WeakPolarHBondContact OE2-CA 3.33Å; E131-V485 WeakPolarHBondContact OE2-CG1 3.38Å; H472-V485 PolarHBondContact N-O 3.03Å; H472-V485 PolarHBondContact O-N 2.88Å; H472-V485 VanDerWaalsContact O-O 3.07Å; K483-V485 PolarHBondContact O-N 3.01Å; V485-D487 HydrophobicContact CG1-CB 4.31Å
486	I	56.5	Low	65	Low	20 Å²	20	47.2 Å²	47.2	10%	0.103	28%	0.275	C	S	.	.			trans	-108.6	97.5	167.4	-67.8	-179.2	0	0	0	108.1	R470 G471 I504	R470-I486 WeakPolarHBondContact O-CD1 3.18Å; R470-I486 WeakPolarHBondContact O-CG1 3.35Å; G471-I486 VanDerWaalsContact CA-CG1 3.47Å; I486-I504 HydrophobicContact CG2-CD1 3.61Å
487	D	58.5	Low	67.1	Low	82 Å²	82	45.6 Å²	45.6	44%	0.439	27%	0.267	S	S	.	.			trans	-107.3	-15.7	179.1	65.2	-0.1	0	0	0	113.2	R470 V485	R470-D487 IonicContact NH2-OD1 2.77Å; V485-D487 HydrophobicContact CG1-CB 4.31Å
488	S	69.3	Low	69.1	Low	13 Å²	13	40.5 Å²	40.5	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	140.7	-169.1	53.5	0	0	0	0	113.1	R470	R470-S488 PolarHBondContact NE-O 2.87Å; R470-S488 PolarHBondContact NH2-OG 2.72Å
489	I	85.9	Confident	71.2	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.2	167.8	-62.7	157.1	0	0	0	107.1	W234 I467 L469 T501 L502 I504	W234-I489 HydrophobicContact CZ2-CD1 3.54Å; I467-I489 HydrophobicContact CG2-CG2 3.47Å; I467-I489 VanDerWaalsContact CG2-CG2 3.47Å; L469-I489 HydrophobicContact CD2-CB 4.3Å; L469-I489 HydrophobicContact CD2-CD1 4.18Å; L469-I489 HydrophobicContact CD2-CG1 3.68Å; L469-I489 HydrophobicContact CD2-CG2 3.81Å; I489-T501 CarbonylContact O-C 3.43Å; I489-T501 VanDerWaalsContact O-CA 3.24Å; I489-T501 WeakPolarHBondContact O-CA 3.42Å; I489-L502 HydrophobicContact CB-CB 4.05Å; I489-L502 HydrophobicContact CD1-CB 4.32Å; I489-L502 HydrophobicContact CG2-CB 4.38Å; I489-L502 HydrophobicContact CG2-CD1 4.16Å; I489-L502 PolarHBondContact N-O 2.94Å; I489-L502 PolarHBondContact O-N 2.78Å; I489-I504 HydrophobicContact CD1-CG1 3.91Å; I489-I504 HydrophobicContact CG1-CD1 4.22Å; I489-I504 HydrophobicContact CG1-CG1 3.86Å
490	L	89.3	Confident	73	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.1	174.3	-57.5	176.5	0	0	0	109.8	Y417 F452 V468 W499 T501	Y417-L490 HydrophobicContact CE1-CD1 4.31Å; Y417-L490 WeakPolarHBondContact OH-CD1 3.38Å; F452-L490 HydrophobicContact CB-CD1 3.88Å; F452-L490 HydrophobicContact CB-CD2 4.46Å; F452-L490 HydrophobicContact CD2-CD2 3.86Å; F452-L490 HydrophobicContact CE2-CD2 4.42Å; F452-L490 HydrophobicContact CG-CD2 4.29Å; V468-L490 HydrophobicContact CB-CB 4.18Å; V468-L490 PolarHBondContact N-O 3.45Å; V468-L490 PolarHBondContact O-N 3.19Å; V468-L490 VanDerWaalsContact O-N 3.11Å; L490-W499 HydrophobicContact CB-CE3 4.12Å; L490-W499 HydrophobicContact CB-CZ3 3.89Å; L490-W499 HydrophobicContact CD1-CZ3 4.32Å; L490-T501 HydrophobicContact CD2-CG2 4.03Å
491	T	91.4	Very high	74.8	Confident	3 Å²	3	25 Å²	25	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.7	173.9	46.2	0	0	0	0	108.7	I465 M466 I467 W499 S500 L502	I465-T491 HydrophobicContact CG2-CG2 3.96Å; M466-T491 CarbonylContact O-C 3.47Å; M466-T491 VanDerWaalsContact O-CA 3.32Å; M466-T491 WeakPolarHBondContact O-CA 3.17Å; I467-T491 HydrophobicContact CG1-CG2 4.26Å; T491-W499 CarbonylContact O-C 3.6Å; T491-W499 WeakPolarHBondContact O-CA 3.33Å; T491-S500 PolarHBondContact N-O 3.27Å; T491-S500 PolarHBondContact O-N 3.44Å; T491-S500 VanDerWaalsContact OG1-C 3.22Å; T491-S500 PolarHBondContact OG1-O 3.5Å; T491-S500 PolarHBondContact OG1-OG 3.07Å; T491-L502 HydrophobicContact CG2-CD1 3.57Å; T491-L502 HydrophobicContact CG2-CD2 4.23Å; T491-L502 HydrophobicContact CG2-CG 3.55Å
492	Y	92	Very high	76.5	Confident	8 Å²	8	24.8 Å²	24.8	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117	173.3	177.2	-101.1	0	0	0	108.4	Y415 L434 I465 M466 I494 G497 W499	Y415-Y492 HydrophobicContact CD1-CE1 4.46Å; Y415-Y492 HydrophobicContact CE1-CE1 4.12Å; L434-Y492 HydrophobicContact CD2-CD1 4.07Å; L434-Y492 HydrophobicContact CD2-CD2 3.8Å; L434-Y492 HydrophobicContact CD2-CE1 3.82Å; L434-Y492 HydrophobicContact CD2-CE2 3.53Å; L434-Y492 HydrophobicContact CD2-CG 4.05Å; I465-Y492 WeakPolarHBondContact CA-O 3.38Å; M466-Y492 PolarHBondContact N-O 3.29Å; M466-Y492 PolarHBondContact O-N 3.19Å; Y492-I494 HydrophobicContact CD1-CG1 4.14Å; Y492-I494 HydrophobicContact CE1-CG1 4.3Å; Y492-I494 PolarHBondContact O-N 2.86Å; Y492-G497 WeakPolarHBondContact OH-CA 3.17Å; Y492-W499 AromaticContact CD2-CD2 3.84Å; Y492-W499 HydrophobicContact CD2-CD2 3.84Å; Y492-W499 AromaticContact CD2-CE2 3.62Å; Y492-W499 HydrophobicContact CD2-CE3 4.42Å; Y492-W499 HydrophobicContact CD2-CG 4.13Å; Y492-W499 HydrophobicContact CD2-CZ2 4.06Å; Y492-W499 AromaticContact CD2-NE1 3.73Å; Y492-W499 HydrophobicContact CG-CD2 4.45Å; Y492-W499 HydrophobicContact CG-CZ2 4.36Å
493	D	90.1	Very high	77.8	Confident	6 Å²	6	30 Å²	30	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	111.7	174.5	-176.3	-32.4	0	0	0	108.9	S495 C496 G497 T498 K565 Y599	D493-S495 VanDerWaalsContact C-N 3.29Å; D493-S495 PolarHBondContact O-N 2.8Å; D493-S495 PolarHBondContact OD1-N 2.87Å; D493-S495 PolarHBondContact OD1-OG 3.25Å; D493-C496 HydrophobicContact CB-CB 4.09Å; D493-C496 PolarHBondContact O-N 2.87Å; D493-C496 PolarHBondContact OD1-N 2.8Å; D493-C496 PolarHBondContact OD2-SG 2.94Å; D493-G497 WeakPolarHBondContact O-CA 3.48Å; D493-G497 PolarHBondContact O-N 3.43Å; D493-T498 PolarHBondContact N-O 3.18Å; D493-T498 PolarHBondContact O-N 2.8Å; D493-K565 IonicContact OD1-NZ 2.65Å; D493-K565 VanDerWaalsContact OD2-CD 3.22Å; D493-K565 WeakPolarHBondContact OD2-CD 3.45Å; D493-K565 WeakPolarHBondContact OD2-CE 3.35Å; D493-K565 IonicContact OD2-NZ 3.91Å; D493-K565 PolarHBondContact OD2-NZ 3.25Å; D493-Y599 WeakPolarHBondContact CB-OH 3.15Å; D493-Y599 PolarHBondContact OD2-OH 3.14Å
494	I	90.9	Very high	79	Confident	26 Å²	26	25.7 Å²	25.7	13%	0.133	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-36.8	-175.7	-66.7	170.4	0	0	0	111.1	Y415 I461 G464 Y492	Y415-I494 HydrophobicContact CE2-CD1 4.17Å; Y415-I494 HydrophobicContact CE2-CG1 4.4Å; Y415-I494 HydrophobicContact CE2-CG2 4.46Å; Y415-I494 VanDerWaalsContact OH-CG2 3.3Å; Y415-I494 WeakPolarHBondContact OH-CG2 3.23Å; I461-I494 HydrophobicContact CD1-CD1 3.89Å; I461-I494 HydrophobicContact CG1-CD1 4.22Å; I461-I494 HydrophobicContact CG2-CD1 4.11Å; G464-I494 WeakPolarHBondContact O-CB 3.17Å; G464-I494 PolarHBondContact O-N 2.9Å; Y492-I494 HydrophobicContact CD1-CG1 4.14Å; Y492-I494 HydrophobicContact CE1-CG1 4.3Å; Y492-I494 PolarHBondContact O-N 2.86Å
495	S	86.5	Confident	80.2	Confident	56 Å²	56	26.6 Å²	26.6	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-33.2	-178	65.4	0	0	0	0	112.8	D493 K565	D493-S495 VanDerWaalsContact C-N 3.29Å; D493-S495 PolarHBondContact O-N 2.8Å; D493-S495 PolarHBondContact OD1-N 2.87Å; D493-S495 PolarHBondContact OD1-OG 3.25Å; S495-K565 WeakPolarHBondContact OG-CE 3.27Å
496	C	85.7	Confident	81	Confident	24 Å²	24	31.9 Å²	31.9	16%	0.162	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-20.3	-178.9	-66.2	0	0	0	0	114	D493 T498 K565 C597	D493-C496 HydrophobicContact CB-CB 4.09Å; D493-C496 PolarHBondContact O-N 2.87Å; D493-C496 PolarHBondContact OD1-N 2.8Å; D493-C496 PolarHBondContact OD2-SG 2.94Å; C496-T498 VanDerWaalsContact C-N 3.34Å; C496-T498 HydrophobicContact CB-CG2 4.38Å; C496-T498 WeakPolarHBondContact CB-OG1 3.39Å; C496-K565 PolarHBondContact SG-NZ 3.4Å; C496-C597 WeakPolarHBondContact CA-SG 3.19Å; C496-C597 HydrophobicContact CB-CB 3.7Å; C496-C597 WeakPolarHBondContact CB-SG 3.23Å; C496-C597 WeakPolarHBondContact SG-CB 3.37Å; C496-C597 CovalentContact SG-SG 2.04Å; C496-C597 PolarHBondContact SG-SG 3.23Å
497	G	87.5	Confident	81.4	Confident	24 Å²	24	36.3 Å²	36.3	25%	0.247	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	30.9	-175.5	0	0	0	0	0	113.4	Y492 D493	Y492-G497 WeakPolarHBondContact OH-CA 3.17Å; D493-G497 WeakPolarHBondContact O-CA 3.48Å; D493-G497 PolarHBondContact O-N 3.43Å
498	T	87.4	Confident	82	Confident	22 Å²	22	32.5 Å²	32.5	14%	0.135	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	-167.8	45.2	0	0	0	0	113	D493 C496 Y599	D493-T498 PolarHBondContact N-O 3.18Å; D493-T498 PolarHBondContact O-N 2.8Å; C496-T498 VanDerWaalsContact C-N 3.34Å; C496-T498 HydrophobicContact CB-CG2 4.38Å; C496-T498 WeakPolarHBondContact CB-OG1 3.39Å; T498-Y599 VanDerWaalsContact OG1-CE2 3.26Å; T498-Y599 WeakPolarHBondContact OG1-CE2 3.42Å; T498-Y599 PolarHBondContact OG1-OH 2.82Å
499	W	89.4	Confident	81.8	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.1	178.9	-71.1	99.4	0	0	0	112.1	Y417 L434 P448 V468 L490 T491 Y492 S601 F602	Y417-W499 AromaticContact CD2-CH2 3.63Å; Y417-W499 HydrophobicContact CD2-CH2 3.63Å; Y417-W499 AromaticContact CD2-CZ2 3.81Å; Y417-W499 HydrophobicContact CD2-CZ2 3.81Å; Y417-W499 HydrophobicContact CE1-CH2 4.46Å; Y417-W499 AromaticContact CE2-CH2 3.47Å; Y417-W499 HydrophobicContact CE2-CH2 3.47Å; Y417-W499 VanDerWaalsContact CE2-CH2 3.47Å; Y417-W499 AromaticContact CE2-CZ2 3.63Å; Y417-W499 HydrophobicContact CE2-CZ2 3.63Å; Y417-W499 HydrophobicContact CE2-CZ3 4.41Å; Y417-W499 HydrophobicContact CG-CH2 4.18Å; Y417-W499 AromaticContact CZ-CH2 3.92Å; L434-W499 HydrophobicContact CB-CZ2 4.12Å; L434-W499 HydrophobicContact CD1-CZ2 4.27Å; L434-W499 HydrophobicContact CD2-CZ2 3.77Å; L434-W499 HydrophobicContact CG-CZ2 4.27Å; P448-W499 PolarHBondContact O-NE1 2.94Å; V468-W499 HydrophobicContact CG2-CZ3 4.35Å; L490-W499 HydrophobicContact CB-CE3 4.12Å; L490-W499 HydrophobicContact CB-CZ3 3.89Å; L490-W499 HydrophobicContact CD1-CZ3 4.32Å; T491-W499 CarbonylContact O-C 3.6Å; T491-W499 WeakPolarHBondContact O-CA 3.33Å; Y492-W499 AromaticContact CD2-CD2 3.84Å; Y492-W499 HydrophobicContact CD2-CD2 3.84Å; Y492-W499 AromaticContact CD2-CE2 3.62Å; Y492-W499 HydrophobicContact CD2-CE3 4.42Å; Y492-W499 HydrophobicContact CD2-CG 4.13Å; Y492-W499 HydrophobicContact CD2-CZ2 4.06Å; Y492-W499 AromaticContact CD2-NE1 3.73Å; Y492-W499 HydrophobicContact CG-CD2 4.45Å; Y492-W499 HydrophobicContact CG-CZ2 4.36Å; W499-S601 PolarHBondContact N-OG 3.49Å; W499-S601 VanDerWaalsContact N-OG 3.12Å; W499-F602 PolarHBondContact O-N 3.45Å
500	S	86.9	Confident	80.6	Confident	15 Å²	15	37.9 Å²	37.9	11%	0.105	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.3	172.1	46.1	0	0	0	0	111.2	T491	T491-S500 PolarHBondContact N-O 3.27Å; T491-S500 PolarHBondContact O-N 3.44Å; T491-S500 VanDerWaalsContact OG1-C 3.22Å; T491-S500 PolarHBondContact OG1-O 3.5Å; T491-S500 PolarHBondContact OG1-OG 3.07Å
501	T	84.5	Confident	79.5	Confident	35 Å²	35	39.2 Å²	39.2	22%	0.215	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.7	175.1	53	0	0	0	0	110.9	I489 L490	I489-T501 CarbonylContact O-C 3.43Å; I489-T501 VanDerWaalsContact O-CA 3.24Å; I489-T501 WeakPolarHBondContact O-CA 3.42Å; L490-T501 HydrophobicContact CD2-CG2 4.03Å
502	L	81.2	Confident	78.7	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.7	163.6	-56.1	172.6	0	0	0	109.3	I489 T491 F543 Q561	I489-L502 HydrophobicContact CB-CB 4.05Å; I489-L502 HydrophobicContact CD1-CB 4.32Å; I489-L502 HydrophobicContact CG2-CB 4.38Å; I489-L502 HydrophobicContact CG2-CD1 4.16Å; I489-L502 PolarHBondContact N-O 2.94Å; I489-L502 PolarHBondContact O-N 2.78Å; T491-L502 HydrophobicContact CG2-CD1 3.57Å; T491-L502 HydrophobicContact CG2-CD2 4.23Å; T491-L502 HydrophobicContact CG2-CG 3.55Å; L502-F543 HydrophobicContact CD1-CZ 4.33Å; L502-Q561 HydrophobicContact CD2-CB 3.8Å; L502-Q561 VanDerWaalsContact CD2-O 3.23Å; L502-Q561 WeakPolarHBondContact CD2-O 3.48Å
503	T	76	Confident	77.8	Confident	125 Å²	125	39.7 Å²	39.7	77%	0.767	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.8	176.4	-54.4	0	0	0	0	109.5
504	I	73.2	Confident	77.4	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.046	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-82	131	174.3	-60.3	174.5	0	0	0	108.4	I486 I489 L508 N509 L512	I486-I504 HydrophobicContact CG2-CD1 3.61Å; I489-I504 HydrophobicContact CD1-CG1 3.91Å; I489-I504 HydrophobicContact CG1-CD1 4.22Å; I489-I504 HydrophobicContact CG1-CG1 3.86Å; I504-L508 HydrophobicContact CG2-CB 4.13Å; I504-N509 WeakPolarHBondContact CG2-OD1 3.43Å; I504-L512 HydrophobicContact CG2-CD1 3.58Å
505	P	72.1	Confident	77.2	Confident	37 Å²	37	38.9 Å²	38.9	24%	0.24	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62.8	137.9	172.5	-21.3	32.3	0	0	0	111.9	Y507 L508 N509	P505-Y507 HydrophobicContact CB-CD1 3.53Å; P505-Y507 HydrophobicContact CB-CE1 3.18Å; P505-Y507 HydrophobicContact CB-CG 4.46Å; P505-Y507 HydrophobicContact CG-CE1 3.96Å; P505-Y507 PolarHBondContact O-N 3.38Å; P505-L508 HydrophobicContact CB-CD1 4.48Å; P505-L508 HydrophobicContact CG-CD1 4.2Å; P505-L508 PolarHBondContact O-N 2.89Å; P505-N509 PolarHBondContact O-N 3.22Å
506	D	67.8	Low	77.4	Confident	141 Å²	141	36.4 Å²	36.4	75%	0.754	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-53.1	-34.5	-175.3	-65.4	-36.8	0	0	0	114.2	L508 N509	D506-L508 PolarHBondContact O-N 3.19Å; D506-N509 PolarHBondContact O-N 2.93Å
507	Y	64.5	Low	77.7	Confident	113 Å²	113	35.7 Å²	35.7	44%	0.443	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-69.5	-10.3	179	70.6	-90.5	0	0	0	114.1	W234 P505	W234-Y507 PolarHBondContact O-OH 3.4Å; P505-Y507 HydrophobicContact CB-CD1 3.53Å; P505-Y507 HydrophobicContact CB-CE1 3.18Å; P505-Y507 HydrophobicContact CB-CG 4.46Å; P505-Y507 HydrophobicContact CG-CE1 3.96Å; P505-Y507 PolarHBondContact O-N 3.38Å
508	L	69.9	Low	78	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-112.1	-8.4	179	-67.1	171	0	0	0	114.1	W234 V236 I504 P505 D506 T510 T511 L512	W234-L508 HydrophobicContact CB-CD1 3.12Å; W234-L508 HydrophobicContact CD2-CD1 4.12Å; W234-L508 HydrophobicContact CG-CD1 3.5Å; V236-L508 HydrophobicContact CG2-CD2 3.92Å; I504-L508 HydrophobicContact CG2-CB 4.13Å; P505-L508 HydrophobicContact CB-CD1 4.48Å; P505-L508 HydrophobicContact CG-CD1 4.2Å; P505-L508 PolarHBondContact O-N 2.89Å; D506-L508 PolarHBondContact O-N 3.19Å; L508-T510 PolarHBondContact O-N 2.86Å; L508-T511 PolarHBondContact O-N 2.8Å; L508-L512 HydrophobicContact CB-CD1 3.67Å; L508-L512 HydrophobicContact CB-CG 4.08Å; L508-L512 HydrophobicContact CD1-CD1 4.1Å; L508-L512 HydrophobicContact CG-CD1 4.45Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 PolarHBondContact O-N 2.8Å
509	N	65.4	Low	78.4	Confident	60 Å²	60	37.5 Å²	37.5	32%	0.321	20%	0.201	S	C	.	.	H	α-helix	trans	-50.6	-38.1	-179.6	-74.5	-11.4	0	0	0	111.5	I504 P505 D506 S513	I504-N509 WeakPolarHBondContact CG2-OD1 3.43Å; P505-N509 PolarHBondContact O-N 3.22Å; D506-N509 PolarHBondContact O-N 2.93Å; N509-S513 WeakPolarHBondContact O-CB 3.36Å
510	T	60.8	Low	78.7	Confident	70 Å²	70	38 Å²	38	43%	0.429	20%	0.204	S	C	.	.	H	α-helix	trans	-77.9	-29.4	178.9	60.7	0	0	0	0	114.6	Q135 L508	Q135-T510 HydrophobicContact CB-CG2 4.42Å; Q135-T510 HydrophobicContact CG-CG2 3.98Å; Q135-T510 PolarHBondContact OE1-O 3.1Å; L508-T510 PolarHBondContact O-N 2.86Å
511	T	67.3	Low	79.1	Confident	31 Å²	31	40 Å²	40	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-91.4	-38.6	-173	-49.1	0	0	0	0	110.7	L508 S513 R514 D539 L541	L508-T511 PolarHBondContact O-N 2.8Å; T511-S513 PolarHBondContact O-N 3.17Å; T511-R514 PolarHBondContact O-NE 2.81Å; T511-R514 PolarHBondContact O-NH2 2.86Å; T511-D539 WeakPolarHBondContact CG2-OD2 3.26Å; T511-L541 HydrophobicContact CG2-CD1 4.21Å; T511-L541 HydrophobicContact CG2-CD2 3.87Å
512	L	73.6	Confident	79.6	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-17.7	177.7	-79	168.3	0	0	0	113.1	W234 I504 L508 R514 L528 L541	W234-L512 HydrophobicContact CD2-CD1 4.48Å; W234-L512 HydrophobicContact CE3-CD2 4.24Å; W234-L512 HydrophobicContact CH2-CD2 4.01Å; W234-L512 HydrophobicContact CZ3-CD2 3.76Å; I504-L512 HydrophobicContact CG2-CD1 3.58Å; L508-L512 HydrophobicContact CB-CD1 3.67Å; L508-L512 HydrophobicContact CB-CG 4.08Å; L508-L512 HydrophobicContact CD1-CD1 4.1Å; L508-L512 HydrophobicContact CG-CD1 4.45Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 PolarHBondContact O-N 2.8Å; L512-R514 PolarHBondContact O-N 3.39Å; L512-L528 HydrophobicContact CD2-CD1 4.43Å; L512-L541 HydrophobicContact CD2-CD1 3.43Å; L512-L541 VanDerWaalsContact CD2-CD1 3.43Å; L512-L541 HydrophobicContact CG-CD1 3.97Å
513	S	73.9	Confident	80.1	Confident	11 Å²	11	45.3 Å²	45.3	8%	0.077	24%	0.237	C	C	.	.			trans	-72.7	90.1	-178.3	177.8	0	0	0	0	111.9	Q135 N509 T511 S533	Q135-S513 PolarHBondContact NE2-OG 2.88Å; N509-S513 WeakPolarHBondContact O-CB 3.36Å; T511-S513 PolarHBondContact O-N 3.17Å; S513-S533 WeakPolarHBondContact O-CB 3.37Å; S513-S533 PolarHBondContact O-OG 3.11Å
514	R	81.9	Confident	80.8	Confident	4 Å²	4	44 Å²	44	2%	0.015	22%	0.221	C	C	.	.			trans	-158.6	166.7	-179.8	64.4	-177.5	79.5	-168.5	-1.5	112.8	T511 L512 H517 G530 F532 M537 D539	T511-R514 PolarHBondContact O-NE 2.81Å; T511-R514 PolarHBondContact O-NH2 2.86Å; L512-R514 PolarHBondContact O-N 3.39Å; R514-H517 HydrophobicContact CG-CB 4.14Å; R514-H517 PolarHBondContact O-CE1 3.01Å; R514-H517 PolarHBondContact O-ND1 2.79Å; R514-G530 WeakPolarHBondContact CD-O 3.44Å; R514-G530 PolarHBondContact NH1-O 3.21Å; R514-F532 CarbonylContact C-O 3.56Å; R514-F532 VanDerWaalsContact CA-O 3.27Å; R514-F532 WeakPolarHBondContact CA-O 3.32Å; R514-F532 WeakPolarHBondContact CB-O 3.43Å; R514-M537 HydrophobicContact CB-SD 3.61Å; R514-M537 HydrophobicContact CG-SD 4.24Å; R514-M537 PolarHBondContact NE-SD 3.08Å; R514-D539 IonicContact CZ-OD1 3.72Å; R514-D539 VanDerWaalsContact CZ-OD1 3.3Å; R514-D539 IonicContact CZ-OD2 3.2Å; R514-D539 IonicContact NH1-OD1 3.68Å; R514-D539 PolarHBondContact NH1-OD1 2.96Å; R514-D539 IonicContact NH1-OD2 2.63Å; R514-D539 VanDerWaalsContact NH2-CG 3.25Å; R514-D539 IonicContact NH2-OD1 2.77Å; R514-D539 PolarHBondContact NH2-OD1 3.29Å; R514-D539 IonicContact NH2-OD2 3.48Å; R514-D539 PolarHBondContact NH2-OD2 3.33Å
515	Y	86	Confident	81.7	Confident	10 Å²	10	45.3 Å²	45.3	4%	0.039	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-135.8	168.3	168.6	62.6	-89.9	0	0	0	110.8	F128 L456 H517 G531 F532 S748 Y749	F128-Y515 HydrophobicContact CD1-CD1 4.01Å; F128-Y515 AromaticContact CD1-CE1 3.77Å; F128-Y515 HydrophobicContact CD1-CE1 3.77Å; F128-Y515 HydrophobicContact CD2-CE1 4.16Å; F128-Y515 AromaticContact CE1-CD1 3.58Å; F128-Y515 HydrophobicContact CE1-CD1 3.58Å; F128-Y515 AromaticContact CE1-CE1 3.66Å; F128-Y515 HydrophobicContact CE1-CE1 3.66Å; F128-Y515 HydrophobicContact CE2-CE1 4.07Å; F128-Y515 HydrophobicContact CG-CE1 4.02Å; F128-Y515 AromaticContact CZ-CD1 3.93Å; F128-Y515 HydrophobicContact CZ-CD1 3.93Å; F128-Y515 AromaticContact CZ-CE1 3.82Å; F128-Y515 HydrophobicContact CZ-CE1 3.82Å; L456-Y515 HydrophobicContact CB-CD2 4.06Å; L456-Y515 HydrophobicContact CD1-CD2 3.77Å; L456-Y515 HydrophobicContact CD1-CE2 4.11Å; Y515-H517 WeakPolarHBondContact CA-ND1 3.36Å; Y515-H517 PolarHBondContact O-N 2.8Å; Y515-G531 CarbonylContact O-C 3.53Å; Y515-G531 WeakPolarHBondContact O-CA 3.34Å; Y515-F532 WeakPolarHBondContact CD1-O 3.44Å; Y515-F532 AromaticContact CE1-CD1 3.71Å; Y515-F532 HydrophobicContact CE1-CD1 3.71Å; Y515-F532 HydrophobicContact CE1-CE1 4.38Å; Y515-F532 HydrophobicContact CE2-CB 4.38Å; Y515-F532 AromaticContact CE2-CD1 3.9Å; Y515-F532 HydrophobicContact CE2-CD1 3.9Å; Y515-F532 AromaticContact CZ-CD1 3.31Å; Y515-F532 AromaticContact CZ-CE1 3.87Å; Y515-F532 PolarHBondContact N-O 3.1Å; Y515-F532 PolarHBondContact O-N 3.48Å; Y515-F532 WeakPolarHBondContact OH-CD1 3.5Å; Y515-F532 WeakPolarHBondContact OH-CE1 3.45Å; Y515-S748 WeakPolarHBondContact CE2-O 3.38Å; Y515-S748 VanDerWaalsContact CZ-O 3.3Å; Y515-S748 PolarHBondContact OH-O 3.2Å; Y515-Y749 AromaticContact CD2-CE1 3.96Å; Y515-Y749 HydrophobicContact CD2-CE1 3.96Å; Y515-Y749 AromaticContact CE2-CD1 3.84Å; Y515-Y749 HydrophobicContact CE2-CD1 3.84Å; Y515-Y749 AromaticContact CE2-CE1 3.5Å; Y515-Y749 HydrophobicContact CE2-CE1 3.5Å
516	G	89.6	Confident	82.8	Confident	5 Å²	5	43.6 Å²	43.6	5%	0.052	22%	0.216	C	C	.	.	S	Bend	trans	70.8	8.2	-172.8	0	0	0	0	0	113.5	S247 L456	S247-G516 PolarHBondContact N-O 3.01Å; L456-G516 PolarHBondContact O-N 3.48Å
517	H	92.6	Very high	84.1	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.037	18%	0.182	C	C	.	.			trans	-76.7	158.3	172.7	55.7	-73	0	0	0	111.2	S458 L469 R514 Y515 L528 F529 G530	S458-H517 WeakPolarHBondContact CB-O 3.32Å; S458-H517 PolarHBondContact OG-CD2 2.82Å; S458-H517 PolarHBondContact OG-NE2 2.81Å; S458-H517 VanDerWaalsContact OG-NE2 3.16Å; S458-H517 PolarHBondContact OG-O 3.39Å; L469-H517 PolarHBondContact O-CE1 3.14Å; L469-H517 PolarHBondContact O-NE2 3.09Å; R514-H517 HydrophobicContact CG-CB 4.14Å; R514-H517 PolarHBondContact O-CE1 3.01Å; R514-H517 PolarHBondContact O-ND1 2.79Å; Y515-H517 WeakPolarHBondContact CA-ND1 3.36Å; Y515-H517 PolarHBondContact O-N 2.8Å; H517-L528 HydrophobicContact CB-CD1 4.36Å; H517-L528 HydrophobicContact CB-CD2 4.18Å; H517-L528 HydrophobicContact CB-CG 4.15Å; H517-L528 WeakPolarHBondContact CD2-CD1 3.32Å; H517-F529 WeakPolarHBondContact CA-O 3.38Å; H517-G530 VanDerWaalsContact CB-O 3.27Å; H517-G530 WeakPolarHBondContact CB-O 3.37Å
518	R	94.7	Very high	85.4	Confident	76 Å²	76	32 Å²	32	29%	0.287	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	177.4	-169.6	64.9	-179.8	-174	2.7	111.2	V250 F529	V250-R518 HydrophobicContact CB-CB 4.16Å; V250-R518 HydrophobicContact CB-CG 3.66Å; V250-R518 HydrophobicContact CG2-CB 3.68Å; V250-R518 HydrophobicContact CG2-CG 3.75Å; R518-F529 PolarHBondContact N-O 2.79Å; R518-F529 PolarHBondContact O-N 2.76Å
519	T	95.3	Very high	86.6	Confident	8 Å²	8	32 Å²	32	5%	0.049	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.7	175.5	54.2	0	0	0	0	111.7	S458 A459 L469 M526 Y527 L528	S458-T519 WeakPolarHBondContact CB-OG1 3.48Å; S458-T519 WeakPolarHBondContact OG-CG2 3.38Å; S458-T519 PolarHBondContact OG-OG1 3.22Å; A459-T519 VanDerWaalsContact C-OG1 3.31Å; A459-T519 PolarHBondContact N-OG1 3.04Å; A459-T519 PolarHBondContact O-OG1 3.23Å; L469-T519 HydrophobicContact CD1-CG2 3.76Å; T519-M526 HydrophobicContact CG2-CE 3.25Å; T519-Y527 CarbonylContact C-O 3.47Å; T519-Y527 WeakPolarHBondContact CA-O 3.35Å; T519-L528 HydrophobicContact CG2-CB 4.05Å; T519-L528 HydrophobicContact CG2-CD1 4.4Å; T519-L528 HydrophobicContact CG2-CG 4.3Å
520	V	96	Very high	87.8	Confident	15 Å²	15	29.4 Å²	29.4	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.5	172.9	-57.5	0	0	0	0	109.6	V250 V252 M526 Y527 F529	V250-V520 HydrophobicContact CB-CG1 4.04Å; V250-V520 HydrophobicContact CG1-CG1 3.8Å; V252-V520 HydrophobicContact CG2-CB 3.76Å; V252-V520 HydrophobicContact CG2-CG1 4.25Å; V252-V520 HydrophobicContact CG2-CG2 3.71Å; V520-M526 WeakPolarHBondContact O-CA 3.5Å; V520-Y527 PolarHBondContact N-O 2.82Å; V520-Y527 PolarHBondContact O-N 2.94Å; V520-F529 HydrophobicContact CG2-CD2 4.28Å; V520-F529 HydrophobicContact CG2-CE2 3.6Å
521	V	95.4	Very high	89.1	Confident	57 Å²	57	26.1 Å²	26.1	35%	0.345	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.5	175.4	178.3	0	0	0	0	108.9	A460 L462 M525	A460-V521 HydrophobicContact CB-CG2 3.65Å; L462-V521 HydrophobicContact CD2-CB 4.3Å; L462-V521 HydrophobicContact CD2-CG1 3.57Å; L462-V521 HydrophobicContact CD2-CG2 3.71Å; L462-V521 HydrophobicContact CG-CG2 4.4Å; V521-M525 CarbonylContact C-O 3.49Å; V521-M525 VanDerWaalsContact CA-O 3.28Å; V521-M525 WeakPolarHBondContact CA-O 3.43Å
522	H	95	Very high	90	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.8	172.1	-175.1	64.6	0	0	0	108.6	N255 F278 K524 M525 Y527	N255-H522 PolarHBondContact OD1-CE1 2.97Å; N255-H522 PolarHBondContact OD1-NE2 2.79Å; F278-H522 HydrophobicContact CD2-CB 4.34Å; F278-H522 AromaticContact CD2-CD2 3.33Å; F278-H522 WeakPolarHBondContact CD2-CD2 3.38Å; F278-H522 AromaticContact CD2-CE1 3.99Å; F278-H522 AromaticContact CD2-CG 3.67Å; F278-H522 AromaticContact CD2-NE2 3.55Å; F278-H522 HydrophobicContact CE1-CB 4.21Å; F278-H522 HydrophobicContact CE2-CB 3.88Å; F278-H522 AromaticContact CE2-CD2 3.76Å; F278-H522 AromaticContact CE2-CG 3.58Å; F278-H522 AromaticContact CE2-ND1 3.96Å; F278-H522 AromaticContact CG-CD2 3.55Å; F278-H522 AromaticContact CG-NE2 4Å; F278-H522 HydrophobicContact CZ-CB 3.8Å; H522-K524 VanDerWaalsContact C-N 3.31Å; H522-K524 PolarHBondContact O-N 2.8Å; H522-M525 PolarHBondContact N-O 3.16Å; H522-M525 PolarHBondContact O-N 3.37Å; H522-M525 VanDerWaalsContact O-O 3.11Å; H522-Y527 HydrophobicContact CB-CD2 4.18Å; H522-Y527 HydrophobicContact CB-CE2 3.93Å
523	E	91.7	Very high	90.3	Very high	138 Å²	138	24.7 Å²	24.7	65%	0.645	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	45.8	-179	-65.3	-175.3	169.8	0	0	114.8	M525	E523-M525 PolarHBondContact O-N 2.87Å; E523-M525 VanDerWaalsContact O-N 3.14Å
524	K	90.3	Very high	90.5	Very high	98 Å²	98	24.2 Å²	24.2	43%	0.426	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	13.9	-178.3	-49.2	-175	174.3	-145.4	0	114.9	H522 P545 E577	H522-K524 VanDerWaalsContact C-N 3.31Å; H522-K524 PolarHBondContact O-N 2.8Å; K524-P545 WeakPolarHBondContact O-CD 3.37Å; K524-E577 VanDerWaalsContact CE-OE1 3.22Å; K524-E577 WeakPolarHBondContact CE-OE1 3.2Å; K524-E577 IonicContact NZ-OE1 3.85Å; K524-E577 PolarHBondContact NZ-OE1 2.87Å; K524-E577 IonicContact NZ-OE2 3.88Å; K524-E577 PolarHBondContact NZ-OE2 3.13Å
525	M	93	Very high	90.5	Very high	36 Å²	36	24.5 Å²	24.5	18%	0.177	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151.2	173.6	-58	-171.1	-71.1	0	0	109.9	V521 H522 E523 Y527 L542 K544	V521-M525 CarbonylContact C-O 3.49Å; V521-M525 VanDerWaalsContact CA-O 3.28Å; V521-M525 WeakPolarHBondContact CA-O 3.43Å; H522-M525 PolarHBondContact N-O 3.16Å; H522-M525 PolarHBondContact O-N 3.37Å; H522-M525 VanDerWaalsContact O-O 3.11Å; E523-M525 PolarHBondContact O-N 2.87Å; E523-M525 VanDerWaalsContact O-N 3.14Å; M525-Y527 HydrophobicContact CB-CE2 4.09Å; M525-Y527 HydrophobicContact CE-CE2 4.48Å; M525-Y527 WeakPolarHBondContact CE-OH 3.45Å; M525-L542 HydrophobicContact CB-CD1 3.67Å; M525-L542 HydrophobicContact CE-CD1 4.39Å; M525-L542 HydrophobicContact CG-CD1 4.41Å; M525-L542 HydrophobicContact SD-CD1 4.02Å; M525-L542 HydrophobicContact SD-CD2 4.22Å; M525-K544 HydrophobicContact CG-CG 4.42Å; M525-K544 HydrophobicContact SD-CB 4.35Å; M525-K544 HydrophobicContact SD-CD 4.4Å; M525-K544 HydrophobicContact SD-CG 4.28Å
526	M	94.1	Very high	90.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.5	179.8	170.8	-175	-173.2	0	0	109.6	A460 L462 I467 L469 T519 V520 F543	A460-M526 HydrophobicContact CB-CE 3.79Å; A460-M526 HydrophobicContact CB-CG 4.04Å; A460-M526 HydrophobicContact CB-SD 3.85Å; L462-M526 HydrophobicContact CD1-CB 3.69Å; L462-M526 HydrophobicContact CD1-SD 4.44Å; L462-M526 HydrophobicContact CD2-CB 4.46Å; L462-M526 HydrophobicContact CG-CB 4.39Å; I467-M526 HydrophobicContact CB-SD 4.28Å; I467-M526 HydrophobicContact CG2-CE 4.48Å; I467-M526 HydrophobicContact CG2-SD 4.21Å; L469-M526 HydrophobicContact CD1-CE 3.45Å; L469-M526 VanDerWaalsContact CD1-CE 3.45Å; L469-M526 HydrophobicContact CD1-SD 4.48Å; L469-M526 HydrophobicContact CG-CE 3.7Å; T519-M526 HydrophobicContact CG2-CE 3.25Å; V520-M526 WeakPolarHBondContact O-CA 3.5Å; M526-F543 HydrophobicContact CB-CB 4.19Å; M526-F543 HydrophobicContact CB-CD1 4.35Å; M526-F543 PolarHBondContact N-O 3.19Å; M526-F543 PolarHBondContact O-N 2.86Å; M526-F543 HydrophobicContact SD-CD1 4.5Å
527	Y	94.6	Very high	90.4	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.9	177	-67.8	-102.9	0	0	0	109.1	L237 Y276 F278 T519 V520 H522 M525 V540 L541 L542	L237-Y527 HydrophobicContact CD1-CD1 4.05Å; L237-Y527 HydrophobicContact CD1-CE1 3.72Å; Y276-Y527 HydrophobicContact CE1-CD1 4.38Å; Y276-Y527 HydrophobicContact CE1-CE1 4.29Å; F278-Y527 HydrophobicContact CD1-CD1 4.03Å; F278-Y527 HydrophobicContact CD1-CD2 4.35Å; F278-Y527 AromaticContact CD1-CE1 3.57Å; F278-Y527 HydrophobicContact CD1-CE1 3.57Å; F278-Y527 AromaticContact CD1-CE2 3.95Å; F278-Y527 HydrophobicContact CD1-CE2 3.95Å; F278-Y527 HydrophobicContact CD1-CG 4.39Å; F278-Y527 AromaticContact CD1-CZ 3.52Å; F278-Y527 AromaticContact CE1-CD1 3.73Å; F278-Y527 HydrophobicContact CE1-CD1 3.73Å; F278-Y527 AromaticContact CE1-CD2 3.75Å; F278-Y527 HydrophobicContact CE1-CD2 3.75Å; F278-Y527 AromaticContact CE1-CE1 3.75Å; F278-Y527 HydrophobicContact CE1-CE1 3.75Å; F278-Y527 AromaticContact CE1-CE2 3.8Å; F278-Y527 HydrophobicContact CE1-CE2 3.8Å; F278-Y527 AromaticContact CE1-CG 3.72Å; F278-Y527 HydrophobicContact CE1-CG 3.72Å; F278-Y527 AromaticContact CE1-CZ 3.79Å; F278-Y527 HydrophobicContact CZ-CD2 4.48Å; T519-Y527 CarbonylContact C-O 3.47Å; T519-Y527 WeakPolarHBondContact CA-O 3.35Å; V520-Y527 PolarHBondContact N-O 2.82Å; V520-Y527 PolarHBondContact O-N 2.94Å; H522-Y527 HydrophobicContact CB-CD2 4.18Å; H522-Y527 HydrophobicContact CB-CE2 3.93Å; M525-Y527 HydrophobicContact CB-CE2 4.09Å; M525-Y527 HydrophobicContact CE-CE2 4.48Å; M525-Y527 WeakPolarHBondContact CE-OH 3.45Å; Y527-V540 HydrophobicContact CD1-CG1 4.11Å; Y527-L541 CarbonylContact C-O 3.55Å; Y527-L541 WeakPolarHBondContact CA-O 3.3Å; Y527-L542 HydrophobicContact CD1-CD1 4.01Å; Y527-L542 HydrophobicContact CD2-CD1 4.05Å; Y527-L542 HydrophobicContact CE1-CD1 3.7Å; Y527-L542 HydrophobicContact CE2-CD1 3.72Å; Y527-L542 HydrophobicContact CG-CD1 4.18Å
528	L	93.2	Very high	90.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.7	173	176.3	156.1	0	0	0	109.1	L469 L512 H517 T519 V540 L541	L469-L528 HydrophobicContact CD1-CB 4.47Å; L469-L528 HydrophobicContact CD1-CD1 3.51Å; L512-L528 HydrophobicContact CD2-CD1 4.43Å; H517-L528 HydrophobicContact CB-CD1 4.36Å; H517-L528 HydrophobicContact CB-CD2 4.18Å; H517-L528 HydrophobicContact CB-CG 4.15Å; H517-L528 WeakPolarHBondContact CD2-CD1 3.32Å; T519-L528 HydrophobicContact CG2-CB 4.05Å; T519-L528 HydrophobicContact CG2-CD1 4.4Å; T519-L528 HydrophobicContact CG2-CG 4.3Å; L528-V540 VanDerWaalsContact O-CA 3.32Å; L528-V540 WeakPolarHBondContact O-CA 3.45Å; L528-L541 HydrophobicContact CB-CB 4.16Å; L528-L541 HydrophobicContact CD2-CB 4.49Å; L528-L541 HydrophobicContact CD2-CD1 4.15Å; L528-L541 HydrophobicContact CD2-CG 4.2Å; L528-L541 PolarHBondContact N-O 3.33Å; L528-L541 PolarHBondContact O-N 2.82Å
529	F	93.8	Very high	89.7	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.8	-178.7	-67	-85.9	0	0	0	111.6	Q248 V250 A257 Y276 F278 W283 H517 R518 V520 V540	Q248-F529 PolarHBondContact NE2-O 3.18Å; V250-F529 HydrophobicContact CG1-CD2 4.01Å; V250-F529 HydrophobicContact CG1-CE2 4.2Å; V250-F529 HydrophobicContact CG1-CG 4.49Å; V250-F529 HydrophobicContact CG2-CB 4.16Å; V250-F529 HydrophobicContact CG2-CD2 4.45Å; V250-F529 HydrophobicContact CG2-CG 4.4Å; A257-F529 HydrophobicContact CB-CE1 4.46Å; A257-F529 HydrophobicContact CB-CE2 4.13Å; A257-F529 HydrophobicContact CB-CZ 3.76Å; Y276-F529 AromaticContact CD1-CE1 3.93Å; Y276-F529 HydrophobicContact CD1-CE1 3.93Å; Y276-F529 AromaticContact CD1-CZ 3.93Å; Y276-F529 HydrophobicContact CD1-CZ 3.93Å; Y276-F529 HydrophobicContact CD2-CE1 4.3Å; Y276-F529 AromaticContact CG-CE1 3.76Å; Y276-F529 HydrophobicContact CG-CE1 3.76Å; Y276-F529 HydrophobicContact CG-CZ 4.21Å; F278-F529 HydrophobicContact CE1-CZ 4.35Å; W283-F529 AromaticContact CH2-CD1 3.55Å; W283-F529 HydrophobicContact CH2-CD1 3.55Å; W283-F529 AromaticContact CH2-CE1 3.81Å; W283-F529 HydrophobicContact CH2-CE1 3.81Å; W283-F529 AromaticContact CZ2-CD1 3.68Å; W283-F529 HydrophobicContact CZ2-CD1 3.68Å; W283-F529 AromaticContact CZ2-CE1 3.9Å; W283-F529 HydrophobicContact CZ2-CE1 3.9Å; H517-F529 WeakPolarHBondContact CA-O 3.38Å; R518-F529 PolarHBondContact N-O 2.79Å; R518-F529 PolarHBondContact O-N 2.76Å; V520-F529 HydrophobicContact CG2-CD2 4.28Å; V520-F529 HydrophobicContact CG2-CE2 3.6Å; F529-V540 HydrophobicContact CD1-CG1 4.27Å; F529-V540 HydrophobicContact CD1-CG2 3.72Å; F529-V540 HydrophobicContact CE1-CB 4.5Å; F529-V540 HydrophobicContact CE1-CG1 3.9Å; F529-V540 HydrophobicContact CE1-CG2 3.73Å; F529-V540 HydrophobicContact CZ-CG1 4.23Å
530	G	90.9	Very high	89.5	Confident	5 Å²	5	24.5 Å²	24.5	5%	0.052	13%	0.125	C	C	.	.			trans	55.6	-149.7	168.2	0	0	0	0	0	113.9	R514 H517 M537 D539	R514-G530 WeakPolarHBondContact CD-O 3.44Å; R514-G530 PolarHBondContact NH1-O 3.21Å; H517-G530 VanDerWaalsContact CB-O 3.27Å; H517-G530 WeakPolarHBondContact CB-O 3.37Å; G530-M537 VanDerWaalsContact CA-O 3.3Å; G530-M537 WeakPolarHBondContact CA-O 3.23Å; G530-D539 PolarHBondContact N-O 2.55Å
531	G	89.4	Confident	89.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.			trans	114.8	-172.8	-177	0	0	0	0	0	112.8	V245 Y515 M537	V245-G531 PolarHBondContact O-N 3.28Å; Y515-G531 CarbonylContact O-C 3.53Å; Y515-G531 WeakPolarHBondContact O-CA 3.34Å; G531-M537 WeakPolarHBondContact O-CB 3.2Å; G531-M537 PolarHBondContact O-N 3.07Å
532	F	85.9	Confident	88.9	Confident	2 Å²	2	22 Å²	22	1%	0.009	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-138.5	133.2	-171.5	-173.4	-93.9	0	0	0	111.4	S123 A246 F265 R514 Y515 T535 L536 Y749	S123-F532 VanDerWaalsContact O-CZ 3.22Å; S123-F532 WeakPolarHBondContact O-CZ 3.47Å; A246-F532 HydrophobicContact CB-CB 3.88Å; F265-F532 HydrophobicContact CE1-CE2 4.01Å; F265-F532 AromaticContact CZ-CE2 3.63Å; F265-F532 HydrophobicContact CZ-CE2 3.63Å; F265-F532 HydrophobicContact CZ-CZ 4.3Å; R514-F532 CarbonylContact C-O 3.56Å; R514-F532 VanDerWaalsContact CA-O 3.27Å; R514-F532 WeakPolarHBondContact CA-O 3.32Å; R514-F532 WeakPolarHBondContact CB-O 3.43Å; Y515-F532 WeakPolarHBondContact CD1-O 3.44Å; Y515-F532 AromaticContact CE1-CD1 3.71Å; Y515-F532 HydrophobicContact CE1-CD1 3.71Å; Y515-F532 HydrophobicContact CE1-CE1 4.38Å; Y515-F532 HydrophobicContact CE2-CB 4.38Å; Y515-F532 AromaticContact CE2-CD1 3.9Å; Y515-F532 HydrophobicContact CE2-CD1 3.9Å; Y515-F532 AromaticContact CZ-CD1 3.31Å; Y515-F532 AromaticContact CZ-CE1 3.87Å; Y515-F532 PolarHBondContact N-O 3.1Å; Y515-F532 PolarHBondContact O-N 3.48Å; Y515-F532 WeakPolarHBondContact OH-CD1 3.5Å; Y515-F532 WeakPolarHBondContact OH-CE1 3.45Å; F532-T535 WeakPolarHBondContact CA-O 3.46Å; F532-L536 HydrophobicContact CD2-CD2 3.88Å; F532-L536 HydrophobicContact CD2-CG 4.05Å; F532-L536 HydrophobicContact CE2-CG 4.47Å; F532-Y749 HydrophobicContact CB-CD1 3.81Å; F532-Y749 HydrophobicContact CB-CE1 3.68Å; F532-Y749 AromaticContact CD1-CD1 3.81Å; F532-Y749 HydrophobicContact CD1-CD1 3.81Å; F532-Y749 HydrophobicContact CD1-CE1 4.36Å; F532-Y749 AromaticContact CD2-CD1 3.81Å; F532-Y749 HydrophobicContact CD2-CD1 3.81Å; F532-Y749 HydrophobicContact CD2-CE1 4.5Å; F532-Y749 HydrophobicContact CE1-CD1 4.23Å; F532-Y749 HydrophobicContact CE2-CD1 4.24Å; F532-Y749 AromaticContact CG-CD1 3.54Å; F532-Y749 HydrophobicContact CG-CD1 3.54Å; F532-Y749 AromaticContact CG-CE1 3.96Å; F532-Y749 HydrophobicContact CG-CE1 3.96Å; F532-Y749 HydrophobicContact CZ-CD1 4.41Å
533	S	78.9	Confident	88.7	Confident	9 Å²	9	21 Å²	21	6%	0.063	10%	0.104	C	C	.	.	S	Bend	trans	-147.2	64.3	172.5	-171.9	0	0	0	0	108.5	Q135 S513 T535	Q135-S533 PolarHBondContact OE1-OG 3.3Å; Q135-S533 VanDerWaalsContact OE1-OG 3.04Å; S513-S533 WeakPolarHBondContact O-CB 3.37Å; S513-S533 PolarHBondContact O-OG 3.11Å; S533-T535 PolarHBondContact N-O 3.19Å; S533-T535 PolarHBondContact O-N 2.98Å
534	G	78.3	Confident	88.6	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	75.8	-25.7	-169.9	0	0	0	0	0	114.8	V122 S123	V122-G534 WeakPolarHBondContact CA-O 3.43Å; S123-G534 PolarHBondContact N-O 2.9Å; S123-G534 WeakPolarHBondContact O-CA 3.44Å
535	T	82.4	Confident	88.6	Confident	10 Å²	10	15.9 Å²	15.9	6%	0.061	8%	0.081	C	C	.	.	S	Bend	trans	-127.7	156	170.1	55.4	0	0	0	0	109.5	V122 K136 F139 F532 S533	V122-T535 HydrophobicContact CG1-CG2 4.48Å; V122-T535 HydrophobicContact CG2-CG2 4.09Å; K136-T535 HydrophobicContact CD-CG2 4.29Å; K136-T535 WeakPolarHBondContact CD-OG1 3.25Å; K136-T535 WeakPolarHBondContact CE-OG1 3.39Å; K136-T535 PolarHBondContact NZ-OG1 3.36Å; F139-T535 HydrophobicContact CD1-CG2 3.79Å; F139-T535 HydrophobicContact CE1-CG2 3.4Å; F139-T535 VanDerWaalsContact CE1-CG2 3.4Å; F139-T535 HydrophobicContact CZ-CG2 4.49Å; F532-T535 WeakPolarHBondContact CA-O 3.46Å; S533-T535 PolarHBondContact N-O 3.19Å; S533-T535 PolarHBondContact O-N 2.98Å
536	L	87.8	Confident	88.2	Confident	21 Å²	21	14.6 Å²	14.6	11%	0.11	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-79.9	132.9	174.8	-65.6	153	0	0	0	110	A246 Y263 T264 F265 F532	A246-L536 HydrophobicContact CB-CD2 3.72Å; Y263-L536 HydrophobicContact CD1-CD2 4.19Å; Y263-L536 WeakPolarHBondContact O-CD2 3.44Å; T264-L536 VanDerWaalsContact CA-CD1 3.47Å; F265-L536 HydrophobicContact CB-CD1 4.17Å; F265-L536 HydrophobicContact CD1-CD1 4.05Å; F265-L536 HydrophobicContact CD2-CD1 3.7Å; F265-L536 HydrophobicContact CD2-CG 4.45Å; F265-L536 HydrophobicContact CE1-CD1 4.4Å; F265-L536 HydrophobicContact CE2-CD1 4.08Å; F265-L536 HydrophobicContact CE2-CG 4.35Å; F265-L536 HydrophobicContact CG-CD1 3.68Å; F265-L536 HydrophobicContact CZ-CD1 4.44Å; F265-L536 VanDerWaalsContact N-CD1 3.26Å; F532-L536 HydrophobicContact CD2-CD2 3.88Å; F532-L536 HydrophobicContact CD2-CG 4.05Å; F532-L536 HydrophobicContact CE2-CG 4.47Å
537	M	85.7	Confident	87.9	Confident	14 Å²	14	17.7 Å²	17.7	7%	0.069	9%	0.094	C	C	.	.			trans	-101.8	144	-172.4	-53.2	-177.1	91.5	0	0	110.4	G244 V245 R514 G530 G531	G244-M537 WeakPolarHBondContact CA-O 3.34Å; V245-M537 PolarHBondContact N-O 3.46Å; R514-M537 HydrophobicContact CB-SD 3.61Å; R514-M537 HydrophobicContact CG-SD 4.24Å; R514-M537 PolarHBondContact NE-SD 3.08Å; G530-M537 VanDerWaalsContact CA-O 3.3Å; G530-M537 WeakPolarHBondContact CA-O 3.23Å; G531-M537 WeakPolarHBondContact O-CB 3.2Å; G531-M537 PolarHBondContact O-N 3.07Å
538	N	87.1	Confident	87.6	Confident	57 Å²	57	17.4 Å²	17.4	31%	0.305	9%	0.094	S	C	.	.			trans	-126.4	2.4	-174	72.8	-31.6	0	0	0	112.3	S239 A241	S239-N538 PolarHBondContact O-ND2 2.72Å; A241-N538 HydrophobicContact CB-CB 3.94Å; A241-N538 WeakPolarHBondContact CB-O 3.18Å; A241-N538 PolarHBondContact O-ND2 3.47Å
539	D	84.3	Confident	87.2	Confident	15 Å²	15	22.7 Å²	22.7	8%	0.08	12%	0.119	C	C	.	.			trans	-81.8	159.8	177.3	60.6	-27.8	0	0	0	112.1	T511 R514 G530	T511-D539 WeakPolarHBondContact CG2-OD2 3.26Å; R514-D539 IonicContact CZ-OD1 3.72Å; R514-D539 VanDerWaalsContact CZ-OD1 3.3Å; R514-D539 IonicContact CZ-OD2 3.2Å; R514-D539 IonicContact NH1-OD1 3.68Å; R514-D539 PolarHBondContact NH1-OD1 2.96Å; R514-D539 IonicContact NH1-OD2 2.63Å; R514-D539 VanDerWaalsContact NH2-CG 3.25Å; R514-D539 IonicContact NH2-OD1 2.77Å; R514-D539 PolarHBondContact NH2-OD1 3.29Å; R514-D539 IonicContact NH2-OD2 3.48Å; R514-D539 PolarHBondContact NH2-OD2 3.33Å; G530-D539 PolarHBondContact N-O 2.55Å
540	V	90.8	Very high	86.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.8	173.5	-179.5	0	0	0	0	108.1	L237 Y276 W283 Y527 L528 F529	L237-V540 WeakPolarHBondContact CA-O 3.3Å; L237-V540 HydrophobicContact CB-CB 4.12Å; L237-V540 HydrophobicContact CB-CG1 4.34Å; L237-V540 WeakPolarHBondContact CB-O 3.33Å; L237-V540 HydrophobicContact CD1-CG1 4.11Å; L237-V540 PolarHBondContact N-O 2.84Å; Y276-V540 HydrophobicContact CD2-CG2 4.2Å; Y276-V540 HydrophobicContact CE1-CG1 4.49Å; Y276-V540 HydrophobicContact CE2-CB 4.46Å; Y276-V540 HydrophobicContact CE2-CG2 3.95Å; W283-V540 HydrophobicContact CZ2-CG2 3.48Å; W283-V540 VanDerWaalsContact CZ2-CG2 3.48Å; Y527-V540 HydrophobicContact CD1-CG1 4.11Å; L528-V540 VanDerWaalsContact O-CA 3.32Å; L528-V540 WeakPolarHBondContact O-CA 3.45Å; F529-V540 HydrophobicContact CD1-CG1 4.27Å; F529-V540 HydrophobicContact CD1-CG2 3.72Å; F529-V540 HydrophobicContact CE1-CB 4.5Å; F529-V540 HydrophobicContact CE1-CG1 3.9Å; F529-V540 HydrophobicContact CE1-CG2 3.73Å; F529-V540 HydrophobicContact CZ-CG1 4.23Å
541	L	88.5	Confident	86.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	173.7	-51.1	178.3	0	0	0	109.9	W234 R235 V236 T511 L512 Y527 L528	W234-L541 HydrophobicContact CE3-CB 4.45Å; W234-L541 HydrophobicContact CZ3-CB 4.38Å; R235-L541 WeakPolarHBondContact O-CA 3.18Å; V236-L541 HydrophobicContact CB-CD2 4.05Å; V236-L541 HydrophobicContact CG1-CD2 3.98Å; V236-L541 HydrophobicContact CG2-CD2 3.72Å; T511-L541 HydrophobicContact CG2-CD1 4.21Å; T511-L541 HydrophobicContact CG2-CD2 3.87Å; L512-L541 HydrophobicContact CD2-CD1 3.43Å; L512-L541 VanDerWaalsContact CD2-CD1 3.43Å; L512-L541 HydrophobicContact CG-CD1 3.97Å; Y527-L541 CarbonylContact C-O 3.55Å; Y527-L541 WeakPolarHBondContact CA-O 3.3Å; L528-L541 HydrophobicContact CB-CB 4.16Å; L528-L541 HydrophobicContact CD2-CB 4.49Å; L528-L541 HydrophobicContact CD2-CD1 4.15Å; L528-L541 HydrophobicContact CD2-CG 4.2Å; L528-L541 PolarHBondContact N-O 3.33Å; L528-L541 PolarHBondContact O-N 2.82Å
542	L	90.8	Very high	85.5	Confident	18 Å²	18	39.3 Å²	39.3	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.9	176.2	175.9	61.7	0	0	0	109.7	W234 R235 L237 M525 Y527	W234-L542 CarbonylContact C-O 3.59Å; W234-L542 VanDerWaalsContact CA-O 3.28Å; W234-L542 WeakPolarHBondContact CA-O 3.43Å; R235-L542 HydrophobicContact CB-CB 4.37Å; R235-L542 PolarHBondContact N-O 2.8Å; R235-L542 PolarHBondContact O-N 2.88Å; L237-L542 HydrophobicContact CD1-CB 3.83Å; L237-L542 HydrophobicContact CD1-CD2 4.33Å; L237-L542 HydrophobicContact CD2-CB 4.22Å; L237-L542 HydrophobicContact CD2-CD2 4.29Å; L237-L542 HydrophobicContact CG-CB 3.91Å; M525-L542 HydrophobicContact CB-CD1 3.67Å; M525-L542 HydrophobicContact CE-CD1 4.39Å; M525-L542 HydrophobicContact CG-CD1 4.41Å; M525-L542 HydrophobicContact SD-CD1 4.02Å; M525-L542 HydrophobicContact SD-CD2 4.22Å; Y527-L542 HydrophobicContact CD1-CD1 4.01Å; Y527-L542 HydrophobicContact CD2-CD1 4.05Å; Y527-L542 HydrophobicContact CE1-CD1 3.7Å; Y527-L542 HydrophobicContact CE2-CD1 3.72Å; Y527-L542 HydrophobicContact CG-CD1 4.18Å
543	F	91	Very high	85.1	Confident	3 Å²	3	41 Å²	41	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.5	167.2	179.6	-109.8	0	0	0	110	A232 Q233 W234 L462 I467 L502 M526 P545	A232-F543 HydrophobicContact CB-CE2 3.66Å; A232-F543 HydrophobicContact CB-CZ 3.75Å; Q233-F543 WeakPolarHBondContact O-CA 3.44Å; W234-F543 AromaticContact CD1-CD2 3.87Å; W234-F543 HydrophobicContact CD2-CB 4.12Å; W234-F543 AromaticContact CD2-CD2 3.68Å; W234-F543 HydrophobicContact CD2-CD2 3.68Å; W234-F543 HydrophobicContact CD2-CG 4.36Å; W234-F543 AromaticContact CE2-CD2 3.2Å; W234-F543 AromaticContact CE2-CE2 3.83Å; W234-F543 AromaticContact CE2-CG 3.99Å; W234-F543 HydrophobicContact CE3-CB 3.88Å; W234-F543 HydrophobicContact CE3-CD2 4.32Å; W234-F543 HydrophobicContact CG-CD2 4.07Å; W234-F543 HydrophobicContact CH2-CB 3.69Å; W234-F543 HydrophobicContact CH2-CD2 4.11Å; W234-F543 HydrophobicContact CH2-CG 4.08Å; W234-F543 HydrophobicContact CZ2-CB 3.93Å; W234-F543 AromaticContact CZ2-CD2 3.43Å; W234-F543 HydrophobicContact CZ2-CD2 3.43Å; W234-F543 VanDerWaalsContact CZ2-CD2 3.43Å; W234-F543 HydrophobicContact CZ2-CE2 4.07Å; W234-F543 AromaticContact CZ2-CG 3.82Å; W234-F543 HydrophobicContact CZ2-CG 3.82Å; W234-F543 HydrophobicContact CZ3-CB 3.68Å; W234-F543 HydrophobicContact CZ3-CG 4.46Å; W234-F543 AromaticContact NE1-CD2 3.36Å; W234-F543 AromaticContact NE1-CE2 3.56Å; L462-F543 HydrophobicContact CD1-CD1 3.73Å; L462-F543 HydrophobicContact CD1-CE1 3.93Å; I467-F543 HydrophobicContact CD1-CD1 4.05Å; I467-F543 HydrophobicContact CD1-CE1 3.46Å; I467-F543 VanDerWaalsContact CD1-CE1 3.46Å; I467-F543 HydrophobicContact CD1-CZ 4.27Å; L502-F543 HydrophobicContact CD1-CZ 4.33Å; M526-F543 HydrophobicContact CB-CB 4.19Å; M526-F543 HydrophobicContact CB-CD1 4.35Å; M526-F543 PolarHBondContact N-O 3.19Å; M526-F543 PolarHBondContact O-N 2.86Å; M526-F543 HydrophobicContact SD-CD1 4.5Å; F543-P545 HydrophobicContact CD1-CG 4.42Å; F543-P545 HydrophobicContact CE1-CB 4.47Å; F543-P545 HydrophobicContact CE1-CG 4.08Å
544	K	89.8	Confident	84.9	Confident	107 Å²	107	46.1 Å²	46.1	47%	0.465	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	171.7	-177.1	176.3	-179.8	176.5	0	108.5	A232 Q233 M525	A232-K544 CarbonylContact C-O 3.46Å; A232-K544 WeakPolarHBondContact CA-O 3.07Å; Q233-K544 HydrophobicContact CB-CB 4.38Å; Q233-K544 PolarHBondContact N-O 3.44Å; Q233-K544 PolarHBondContact O-N 3.3Å; M525-K544 HydrophobicContact CG-CG 4.42Å; M525-K544 HydrophobicContact SD-CB 4.35Å; M525-K544 HydrophobicContact SD-CD 4.4Å; M525-K544 HydrophobicContact SD-CG 4.28Å
545	P	89.7	Confident	84.7	Confident	20 Å²	20	53.8 Å²	53.8	13%	0.13	26%	0.257	C	S	.	.			trans	-60.4	154.3	173.9	-22.7	33.1	0	0	0	112.5	L462 K524 F543 Q562 S564	L462-P545 HydrophobicContact CB-CG 4.35Å; L462-P545 HydrophobicContact CD1-CG 3.58Å; L462-P545 HydrophobicContact CG-CG 4.42Å; K524-P545 WeakPolarHBondContact O-CD 3.37Å; F543-P545 HydrophobicContact CD1-CG 4.42Å; F543-P545 HydrophobicContact CE1-CB 4.47Å; F543-P545 HydrophobicContact CE1-CG 4.08Å; P545-Q562 WeakPolarHBondContact CA-O 3.43Å; P545-S564 WeakPolarHBondContact CB-OG 3.28Å
546	G	86	Confident	84.5	Confident	10 Å²	10	58.4 Å²	58.4	10%	0.103	28%	0.278	C	S	.	.			trans	-73.5	173.2	173.4	0	0	0	0	0	112.9	G230 Q562	G230-G546 CarbonylContact O-C 3.32Å; G230-G546 VanDerWaalsContact O-C 3.32Å; G230-G546 WeakPolarHBondContact O-CA 3.45Å; G546-Q562 PolarHBondContact N-O 2.96Å
547	N	87.5	Confident	84.3	Confident	66 Å²	66	57.5 Å²	57.5	35%	0.353	27%	0.273	S	S	.	.			trans	-112.1	107.8	-175	-179.3	-15.2	0	0	0	110.7	G230 M549 H550	G230-N547 PolarHBondContact O-N 3.4Å; N547-M549 PolarHBondContact O-N 3.1Å; N547-M549 WeakPolarHBondContact OD1-CB 3.39Å; N547-M549 PolarHBondContact OD1-N 3.15Å; N547-H550 PolarHBondContact O-N 2.99Å; N547-H550 PolarHBondContact O-ND1 3.05Å
548	C	87.7	Confident	84	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.02	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-49	-29.9	179.3	-62.1	0	0	0	0	114.6	H550 N551 C566 C573	C548-H550 PolarHBondContact O-N 3.46Å; C548-H550 VanDerWaalsContact O-N 3.09Å; C548-N551 PolarHBondContact O-N 3.05Å; C548-N551 PolarHBondContact O-ND2 3.32Å; C548-C566 VanDerWaalsContact CA-SG 3.53Å; C548-C566 HydrophobicContact CB-CB 3.76Å; C548-C566 WeakPolarHBondContact CB-SG 3.21Å; C548-C566 WeakPolarHBondContact SG-CA 3.24Å; C548-C566 WeakPolarHBondContact SG-CB 3.43Å; C548-C566 CovalentContact SG-SG 2.03Å; C548-C566 PolarHBondContact SG-SG 3.32Å; C548-C573 VanDerWaalsContact O-CB 3.27Å; C548-C573 WeakPolarHBondContact O-CB 3.36Å; C548-C573 PolarHBondContact O-SG 2.89Å
549	M	85.4	Confident	83.4	Confident	112 Å²	112	58.1 Å²	58.1	55%	0.552	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66.2	-11.3	-178.3	-62.2	-164.5	-62.9	0	0	113.9	N547	N547-M549 PolarHBondContact O-N 3.1Å; N547-M549 WeakPolarHBondContact OD1-CB 3.39Å; N547-M549 PolarHBondContact OD1-N 3.15Å
550	H	83.5	Confident	83.1	Confident	84 Å²	84	58.2 Å²	58.2	39%	0.389	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-86.1	-12.8	177.8	-65.4	83.7	0	0	0	113.7	P229 N547 C548 R552	P229-H550 VanDerWaalsContact C-CD2 3.48Å; P229-H550 VanDerWaalsContact CB-CD2 3.43Å; P229-H550 WeakPolarHBondContact CB-CD2 3.43Å; P229-H550 WeakPolarHBondContact CB-NE2 3.38Å; P229-H550 WeakPolarHBondContact O-CB 3.25Å; P229-H550 PolarHBondContact O-CD2 2.96Å; N547-H550 PolarHBondContact O-N 2.99Å; N547-H550 PolarHBondContact O-ND1 3.05Å; C548-H550 PolarHBondContact O-N 3.46Å; C548-H550 VanDerWaalsContact O-N 3.09Å; H550-R552 PolarHBondContact O-N 2.96Å
551	N	80.5	Confident	82.3	Confident	29 Å²	29	63.6 Å²	63.6	16%	0.155	30%	0.304	C	S	.	.			trans	-70	114.2	175	-65.9	-41	0	0	0	109.5	C548 C557 S560 C573	C548-N551 PolarHBondContact O-N 3.05Å; C548-N551 PolarHBondContact O-ND2 3.32Å; N551-C557 HydrophobicContact CB-CB 4.3Å; N551-S560 VanDerWaalsContact ND2-CB 3.3Å; N551-S560 WeakPolarHBondContact ND2-CB 3.5Å; N551-S560 PolarHBondContact ND2-OG 2.87Å; N551-C573 HydrophobicContact CB-CB 4.3Å
552	R	73.3	Confident	81.9	Confident	244 Å²	244	64.7 Å²	64.7	92%	0.921	31%	0.309	S	S	*	.			trans	-83.8	-37.2	-175.6	-66.3	-176.1	-178.7	-176.5	0.9	111.9	H550	H550-R552 PolarHBondContact O-N 2.96Å
553	A	77.5	Confident	81.5	Confident	36 Å²	36	63.9 Å²	63.9	30%	0.298	31%	0.305	S	S	.	.	S	Bend	trans	-86.7	139.7	178.5	0	0	0	0	0	111.7	E555 E556 C557	A553-E555 PolarHBondContact O-N 3.01Å; A553-E556 HydrophobicContact CB-CB 4.1Å; A553-E556 VanDerWaalsContact CB-CD 3.46Å; A553-E556 HydrophobicContact CB-CG 3.75Å; A553-E556 PolarHBondContact N-OE2 3.07Å; A553-E556 PolarHBondContact O-N 3.36Å; A553-C557 PolarHBondContact O-N 2.88Å
554	K	75.1	Confident	81.3	Confident	118 Å²	118	64.1 Å²	64.1	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.3	176.8	-169.4	177.9	178	179.8	0	111.6	P558 I568 E594	K554-P558 WeakPolarHBondContact O-CD 3.28Å; K554-I568 HydrophobicContact CD-CD1 4.3Å; K554-I568 HydrophobicContact CG-CD1 3.56Å; K554-I568 HydrophobicContact CG-CG1 4.22Å; K554-E594 WeakPolarHBondContact CE-OE2 3.5Å; K554-E594 IonicContact NZ-OE1 2.88Å; K554-E594 PolarHBondContact NZ-OE1 2.72Å; K554-E594 IonicContact NZ-OE2 3.67Å; K554-E594 PolarHBondContact NZ-OE2 3.4Å
555	E	74.5	Confident	81.2	Confident	162 Å²	162	59.2 Å²	59.2	76%	0.757	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-29.2	-179	-67.4	159.7	-164.6	0	0	113.6	A553 N559	A553-E555 PolarHBondContact O-N 3.01Å; E555-N559 PolarHBondContact O-ND2 3.29Å
556	E	78.3	Confident	81.1	Confident	108 Å²	108	58.4 Å²	58.4	51%	0.505	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-35	176.7	-73	166.6	-176.5	0	0	111.6	A553 N559 S560	A553-E556 HydrophobicContact CB-CB 4.1Å; A553-E556 VanDerWaalsContact CB-CD 3.46Å; A553-E556 HydrophobicContact CB-CG 3.75Å; A553-E556 PolarHBondContact N-OE2 3.07Å; A553-E556 PolarHBondContact O-N 3.36Å; E556-N559 CarbonylContact O-C 3.29Å; E556-N559 PolarHBondContact O-N 2.92Å; E556-S560 PolarHBondContact O-N 3.15Å
557	C	84.2	Confident	81.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.007	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-60.7	-176.5	177.4	0	0	0	0	113.8	N551 A553 N559 S560 C566 I568 C573	N551-C557 HydrophobicContact CB-CB 4.3Å; A553-C557 PolarHBondContact O-N 2.88Å; C557-N559 PolarHBondContact O-N 2.93Å; C557-S560 WeakPolarHBondContact O-CB 3.42Å; C557-S560 PolarHBondContact O-N 3.04Å; C557-S560 VanDerWaalsContact O-N 3.13Å; C557-C566 WeakPolarHBondContact O-CB 3.43Å; C557-I568 HydrophobicContact CB-CG1 4.31Å; C557-C573 VanDerWaalsContact CA-SG 3.59Å; C557-C573 HydrophobicContact CB-CB 3.66Å; C557-C573 WeakPolarHBondContact CB-SG 3.42Å; C557-C573 WeakPolarHBondContact SG-CA 3.45Å; C557-C573 WeakPolarHBondContact SG-CB 3.36Å; C557-C573 CovalentContact SG-SG 2.02Å; C557-C573 PolarHBondContact SG-SG 2.95Å
558	P	77.9	Confident	81.2	Confident	12 Å²	12	55 Å²	55	8%	0.078	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.5	-177.5	28.8	-37.4	0	0	0	113.9	K554 P596	K554-P558 WeakPolarHBondContact O-CD 3.28Å; P558-P596 HydrophobicContact CB-CG 3.62Å; P558-P596 HydrophobicContact CG-CG 3.71Å
559	N	74.5	Confident	81.2	Confident	72 Å²	72	55.1 Å²	55.1	39%	0.385	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.8	177.8	-65.5	-43.2	0	0	0	112.7	E555 E556 C557 Q561	E555-N559 PolarHBondContact O-ND2 3.29Å; E556-N559 CarbonylContact O-C 3.29Å; E556-N559 PolarHBondContact O-N 2.92Å; C557-N559 PolarHBondContact O-N 2.93Å; N559-Q561 PolarHBondContact O-N 2.91Å; N559-Q561 VanDerWaalsContact O-N 3.07Å
560	S	78.3	Confident	81.1	Confident	17 Å²	17	55.1 Å²	55.1	12%	0.119	26%	0.257	C	S	.	.			trans	-62.6	109.4	-177.8	-178.8	0	0	0	0	111.6	N551 E556 C557 Q562	N551-S560 VanDerWaalsContact ND2-CB 3.3Å; N551-S560 WeakPolarHBondContact ND2-CB 3.5Å; N551-S560 PolarHBondContact ND2-OG 2.87Å; E556-S560 PolarHBondContact O-N 3.15Å; C557-S560 WeakPolarHBondContact O-CB 3.42Å; C557-S560 PolarHBondContact O-N 3.04Å; C557-S560 VanDerWaalsContact O-N 3.13Å; S560-Q562 PolarHBondContact O-N 2.99Å; S560-Q562 VanDerWaalsContact O-N 3.09Å; S560-Q562 VanDerWaalsContact OG-CD 3.22Å; S560-Q562 VanDerWaalsContact OG-CG 3.29Å; S560-Q562 WeakPolarHBondContact OG-CG 3.47Å; S560-Q562 PolarHBondContact OG-OE1 3.18Å
561	Q	74.7	Confident	81.1	Confident	114 Å²	114	54.1 Å²	54.1	53%	0.533	27%	0.269	S	S	.	.			trans	-87	52.7	176.6	-70.6	-176.3	-10.5	0	0	111.5	L502 N559	L502-Q561 HydrophobicContact CD2-CB 3.8Å; L502-Q561 VanDerWaalsContact CD2-O 3.23Å; L502-Q561 WeakPolarHBondContact CD2-O 3.48Å; N559-Q561 PolarHBondContact O-N 2.91Å; N559-Q561 VanDerWaalsContact O-N 3.07Å
562	Q	78.6	Confident	81.4	Confident	23 Å²	23	61.2 Å²	61.2	11%	0.107	29%	0.294	C	S	.	.	S	Bend	trans	-101.7	12.6	-176	-75	179.4	-2.8	0	0	113.2	G230 A232 P545 G546 S560 S564	G230-Q562 PolarHBondContact O-NE2 2.8Å; G230-Q562 PolarHBondContact O-OE1 2.97Å; A232-Q562 WeakPolarHBondContact CB-O 3.44Å; P545-Q562 WeakPolarHBondContact CA-O 3.43Å; G546-Q562 PolarHBondContact N-O 2.96Å; S560-Q562 PolarHBondContact O-N 2.99Å; S560-Q562 VanDerWaalsContact O-N 3.09Å; S560-Q562 VanDerWaalsContact OG-CD 3.22Å; S560-Q562 VanDerWaalsContact OG-CG 3.29Å; S560-Q562 WeakPolarHBondContact OG-CG 3.47Å; S560-Q562 PolarHBondContact OG-OE1 3.18Å; Q562-S564 VanDerWaalsContact C-N 3.27Å; Q562-S564 PolarHBondContact O-N 3.34Å
563	G	82.9	Confident	82.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.255	C	S	.	.	S	Bend	trans	70.3	19.2	-177.2	0	0	0	0	0	114.5
564	S	87.3	Confident	82.6	Confident	8 Å²	8	51.1 Å²	51.1	6%	0.056	25%	0.25	C	S	.	.	S	Bend	trans	-142.6	142.5	171.3	-74.8	0	0	0	0	109.7	P545 Q562 C566	P545-S564 WeakPolarHBondContact CB-OG 3.28Å; Q562-S564 VanDerWaalsContact C-N 3.27Å; Q562-S564 PolarHBondContact O-N 3.34Å; S564-C566 PolarHBondContact O-N 2.81Å
565	K	88.1	Confident	83.3	Confident	4 Å²	4	46 Å²	46	2%	0.017	23%	0.23	C	C	.	.			trans	-72.5	113.2	176.7	178.8	60.8	178.3	-173	0	109.1	S463 I465 D493 S495 C496 V567 S575 L576	S463-K565 WeakPolarHBondContact O-CB 3.42Å; S463-K565 PolarHBondContact O-N 3.24Å; I465-K565 HydrophobicContact CD1-CB 4.35Å; I465-K565 HydrophobicContact CG1-CB 3.95Å; D493-K565 IonicContact OD1-NZ 2.65Å; D493-K565 VanDerWaalsContact OD2-CD 3.22Å; D493-K565 WeakPolarHBondContact OD2-CD 3.45Å; D493-K565 WeakPolarHBondContact OD2-CE 3.35Å; D493-K565 IonicContact OD2-NZ 3.91Å; D493-K565 PolarHBondContact OD2-NZ 3.25Å; S495-K565 WeakPolarHBondContact OG-CE 3.27Å; C496-K565 PolarHBondContact SG-NZ 3.4Å; K565-V567 HydrophobicContact CG-CG1 4.09Å; K565-S575 CarbonylContact O-C 3.48Å; K565-S575 WeakPolarHBondContact O-CA 3.45Å; K565-L576 HydrophobicContact CB-CB 4.02Å; K565-L576 HydrophobicContact CB-CD2 4.47Å; K565-L576 HydrophobicContact CG-CB 3.96Å; K565-L576 HydrophobicContact CG-CD2 4.22Å; K565-L576 PolarHBondContact O-N 3.35Å
566	C	88.1	Confident	84	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.1	174.2	-59.9	0	0	0	0	110.6	C548 C557 S564 R574	C548-C566 VanDerWaalsContact CA-SG 3.53Å; C548-C566 HydrophobicContact CB-CB 3.76Å; C548-C566 WeakPolarHBondContact CB-SG 3.21Å; C548-C566 WeakPolarHBondContact SG-CA 3.24Å; C548-C566 WeakPolarHBondContact SG-CB 3.43Å; C548-C566 CovalentContact SG-SG 2.03Å; C548-C566 PolarHBondContact SG-SG 3.32Å; C557-C566 WeakPolarHBondContact O-CB 3.43Å; S564-C566 PolarHBondContact O-N 2.81Å; C566-R574 CarbonylContact C-O 3.55Å; C566-R574 WeakPolarHBondContact CA-O 3.34Å
567	V	88	Confident	84.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.9	-178.8	-59.2	0	0	0	0	109.8	K565 R574 L576 A579 I593 T595	K565-V567 HydrophobicContact CG-CG1 4.09Å; V567-R574 PolarHBondContact N-O 2.91Å; V567-R574 PolarHBondContact O-N 3.46Å; V567-L576 HydrophobicContact CG1-CB 4.17Å; V567-L576 HydrophobicContact CG1-CD1 4.02Å; V567-A579 HydrophobicContact CG2-CB 3.57Å; V567-I593 HydrophobicContact CB-CG2 3.81Å; V567-I593 HydrophobicContact CG1-CG2 4.23Å; V567-I593 HydrophobicContact CG2-CG2 3.73Å; V567-T595 HydrophobicContact CG1-CG2 3.84Å
568	I	87.6	Confident	84.6	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.9	176.2	-60.3	146.9	0	0	0	108	K554 C557 E594 P596	K554-I568 HydrophobicContact CD-CD1 4.3Å; K554-I568 HydrophobicContact CG-CD1 3.56Å; K554-I568 HydrophobicContact CG-CG1 4.22Å; C557-I568 HydrophobicContact CB-CG1 4.31Å; I568-E594 HydrophobicContact CB-CB 4.18Å; I568-E594 PolarHBondContact N-O 2.84Å; I568-E594 PolarHBondContact O-N 3.01Å; I568-P596 HydrophobicContact CD1-CG 4.38Å
569	Y	86.2	Confident	85	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.9	174.9	178.9	-109	0	0	0	109.1	G571 R572 A579 Q582 T583 E586 I593	Y569-G571 VanDerWaalsContact C-N 3.28Å; Y569-G571 PolarHBondContact O-N 2.89Å; Y569-R572 PolarHBondContact N-O 2.91Å; Y569-R572 PolarHBondContact O-N 3.14Å; Y569-A579 HydrophobicContact CG-CB 4.41Å; Y569-Q582 VanDerWaalsContact CD1-OE1 3.27Å; Y569-Q582 HydrophobicContact CE1-CB 3.89Å; Y569-T583 HydrophobicContact CD2-CG2 4.43Å; Y569-T583 HydrophobicContact CE2-CG2 3.74Å; Y569-E586 PolarHBondContact OH-OE1 3.47Å; Y569-E586 PolarHBondContact OH-OE2 3.06Å; Y569-I593 HydrophobicContact CD2-CG1 4.11Å
570	K	84.4	Confident	85.6	Confident	112 Å²	112	38.4 Å²	38.4	49%	0.487	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	43.7	-176.7	-61.4	179.7	175.1	173.3	0	113.4	R572 E586	K570-R572 PolarHBondContact O-N 3.16Å; K570-E586 WeakPolarHBondContact CE-OE2 3.46Å; K570-E586 IonicContact NZ-OE1 2.62Å; K570-E586 PolarHBondContact NZ-OE1 3.29Å; K570-E586 IonicContact NZ-OE2 3.97Å; K570-E586 PolarHBondContact NZ-OE2 3.31Å
571	G	82.9	Confident	86	Confident	63 Å²	63	45.8 Å²	45.8	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	4.4	179.6	0	0	0	0	0	115.3	Y569	Y569-G571 VanDerWaalsContact C-N 3.28Å; Y569-G571 PolarHBondContact O-N 2.89Å
572	R	87.2	Confident	86.5	Confident	179 Å²	179	42.9 Å²	42.9	68%	0.675	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.8	174.6	-63.4	-174.2	-176.6	-178.6	1.9	110.8	Y569 K570	Y569-R572 PolarHBondContact N-O 2.91Å; Y569-R572 PolarHBondContact O-N 3.14Å; K570-R572 PolarHBondContact O-N 3.16Å
573	C	87.7	Confident	86.9	Confident	15 Å²	15	42.2 Å²	42.2	10%	0.101	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.6	174.9	-165.7	0	0	0	0	110.7	C548 N551 C557	C548-C573 VanDerWaalsContact O-CB 3.27Å; C548-C573 WeakPolarHBondContact O-CB 3.36Å; C548-C573 PolarHBondContact O-SG 2.89Å; N551-C573 HydrophobicContact CB-CB 4.3Å; C557-C573 VanDerWaalsContact CA-SG 3.59Å; C557-C573 HydrophobicContact CB-CB 3.66Å; C557-C573 WeakPolarHBondContact CB-SG 3.42Å; C557-C573 WeakPolarHBondContact SG-CA 3.45Å; C557-C573 WeakPolarHBondContact SG-CB 3.36Å; C557-C573 CovalentContact SG-SG 2.02Å; C557-C573 PolarHBondContact SG-SG 2.95Å
574	R	89.2	Confident	86.9	Confident	53 Å²	53	49.3 Å²	49.3	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	163.3	177.9	-68.8	-171.3	176.7	-85.9	1.9	110.4	C566 V567 Q582	C566-R574 CarbonylContact C-O 3.55Å; C566-R574 WeakPolarHBondContact CA-O 3.34Å; V567-R574 PolarHBondContact N-O 2.91Å; V567-R574 PolarHBondContact O-N 3.46Å; R574-Q582 VanDerWaalsContact CZ-NE2 3.34Å
575	S	89.6	Confident	86.8	Confident	11 Å²	11	54.4 Å²	54.4	8%	0.077	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.3	167.6	75.5	0	0	0	0	110	K565 E577 D578 A579	K565-S575 CarbonylContact O-C 3.48Å; K565-S575 WeakPolarHBondContact O-CA 3.45Å; S575-E577 PolarHBondContact O-N 2.64Å; S575-D578 PolarHBondContact O-N 3.14Å; S575-D578 VanDerWaalsContact OG-CB 3.31Å; S575-D578 WeakPolarHBondContact OG-CB 3.39Å; S575-D578 PolarHBondContact OG-N 2.9Å; S575-D578 VanDerWaalsContact OG-N 3.1Å; S575-D578 PolarHBondContact OG-OD2 3.44Å; S575-A579 WeakPolarHBondContact O-CB 3.41Å; S575-A579 PolarHBondContact O-N 3.33Å
576	L	88.1	Confident	86.6	Confident	22 Å²	22	58 Å²	58	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-54.3	-43.2	176	175.5	63.9	0	0	0	111.3	K565 V567 A579 L580	K565-L576 HydrophobicContact CB-CB 4.02Å; K565-L576 HydrophobicContact CB-CD2 4.47Å; K565-L576 HydrophobicContact CG-CB 3.96Å; K565-L576 HydrophobicContact CG-CD2 4.22Å; K565-L576 PolarHBondContact O-N 3.35Å; V567-L576 HydrophobicContact CG1-CB 4.17Å; V567-L576 HydrophobicContact CG1-CD1 4.02Å; L576-A579 PolarHBondContact O-N 2.92Å; L576-L580 HydrophobicContact CD1-CD1 4.07Å; L576-L580 HydrophobicContact CD1-CG 4.12Å; L576-L580 HydrophobicContact CG-CD1 3.96Å; L576-L580 HydrophobicContact CG-CG 4.41Å; L576-L580 WeakPolarHBondContact O-CB 3.39Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.02Å
577	E	86.8	Confident	86.2	Confident	71 Å²	71	67.3 Å²	67.3	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.7	179.8	-164.7	-168.3	149	0	0	112.1	S463 K524 S575 A579 L580 R581	S463-E577 PolarHBondContact OG-OE2 3.08Å; K524-E577 VanDerWaalsContact CE-OE1 3.22Å; K524-E577 WeakPolarHBondContact CE-OE1 3.2Å; K524-E577 IonicContact NZ-OE1 3.85Å; K524-E577 PolarHBondContact NZ-OE1 2.87Å; K524-E577 IonicContact NZ-OE2 3.88Å; K524-E577 PolarHBondContact NZ-OE2 3.13Å; S575-E577 PolarHBondContact O-N 2.64Å; E577-A579 VanDerWaalsContact C-N 3.34Å; E577-A579 PolarHBondContact O-N 3.24Å; E577-L580 PolarHBondContact O-N 2.74Å; E577-R581 WeakPolarHBondContact O-CB 3.39Å; E577-R581 PolarHBondContact O-N 2.91Å
578	D	88	Confident	85.5	Confident	56 Å²	56	74.1 Å²	74.1	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-36	176.8	-65.3	-37.1	0	0	0	111.9	S575 Q582	S575-D578 PolarHBondContact O-N 3.14Å; S575-D578 VanDerWaalsContact OG-CB 3.31Å; S575-D578 WeakPolarHBondContact OG-CB 3.39Å; S575-D578 PolarHBondContact OG-N 2.9Å; S575-D578 VanDerWaalsContact OG-N 3.1Å; S575-D578 PolarHBondContact OG-OD2 3.44Å; D578-Q582 WeakPolarHBondContact O-CB 2.91Å; D578-Q582 VanDerWaalsContact O-CG 3.31Å; D578-Q582 WeakPolarHBondContact O-CG 3.39Å; D578-Q582 PolarHBondContact O-N 3.26Å
579	A	87.9	Confident	84.6	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-46.7	176.8	0	0	0	0	0	111.4	V567 Y569 S575 L576 E577 R581 Q582 T583 I593	V567-A579 HydrophobicContact CG2-CB 3.57Å; Y569-A579 HydrophobicContact CG-CB 4.41Å; S575-A579 WeakPolarHBondContact O-CB 3.41Å; S575-A579 PolarHBondContact O-N 3.33Å; L576-A579 PolarHBondContact O-N 2.92Å; E577-A579 VanDerWaalsContact C-N 3.34Å; E577-A579 PolarHBondContact O-N 3.24Å; A579-R581 PolarHBondContact O-N 3.03Å; A579-Q582 PolarHBondContact O-N 3.29Å; A579-T583 PolarHBondContact O-N 2.91Å; A579-T583 PolarHBondContact O-OG1 3.18Å; A579-I593 HydrophobicContact CB-CD1 3.97Å; A579-I593 HydrophobicContact CB-CG1 4.26Å
580	L	86.9	Confident	83.7	Confident	45 Å²	45	79.6 Å²	79.6	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.1	-72.8	172.2	0	0	0	111.3	I410 L576 E577 Q582 T583 E584 I593	I410-L580 HydrophobicContact CD1-CD1 4.18Å; I410-L580 HydrophobicContact CG2-CD1 4.13Å; L576-L580 HydrophobicContact CD1-CD1 4.07Å; L576-L580 HydrophobicContact CD1-CG 4.12Å; L576-L580 HydrophobicContact CG-CD1 3.96Å; L576-L580 HydrophobicContact CG-CG 4.41Å; L576-L580 WeakPolarHBondContact O-CB 3.39Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.02Å; E577-L580 PolarHBondContact O-N 2.74Å; L580-Q582 VanDerWaalsContact C-N 3.28Å; L580-Q582 PolarHBondContact O-N 2.98Å; L580-T583 WeakPolarHBondContact CA-OG1 3.06Å; L580-T583 PolarHBondContact O-N 3.13Å; L580-T583 VanDerWaalsContact O-N 3.13Å; L580-T583 PolarHBondContact O-OG1 2.95Å; L580-E584 PolarHBondContact O-N 3.23Å; L580-I593 HydrophobicContact CD2-CD1 3.89Å; L580-I593 HydrophobicContact CG-CD1 4.34Å
581	R	86.5	Confident	82.8	Confident	173 Å²	173	83.6 Å²	83.6	65%	0.653	42%	0.417	S	S	*	.	H	α-helix	trans	-57.8	-40.8	175.6	-174.7	-179.2	176.5	-170.5	0.8	112.1	E577 A579 E584 V585	E577-R581 WeakPolarHBondContact O-CB 3.39Å; E577-R581 PolarHBondContact O-N 2.91Å; A579-R581 PolarHBondContact O-N 3.03Å; R581-E584 PolarHBondContact O-N 2.83Å; R581-V585 VanDerWaalsContact O-CG2 3.28Å; R581-V585 WeakPolarHBondContact O-CG2 3.41Å; R581-V585 PolarHBondContact O-N 2.89Å; R581-V585 VanDerWaalsContact O-N 3.1Å
582	Q	85.4	Confident	82.4	Confident	53 Å²	53	82.7 Å²	82.7	25%	0.248	40%	0.399	C	S	.	.	H	α-helix	trans	-68.2	-39.1	177	-76.1	178.7	9.5	0	0	112.3	Y569 R574 D578 A579 L580 E584 V585 E586	Y569-Q582 VanDerWaalsContact CD1-OE1 3.27Å; Y569-Q582 HydrophobicContact CE1-CB 3.89Å; R574-Q582 VanDerWaalsContact CZ-NE2 3.34Å; D578-Q582 WeakPolarHBondContact O-CB 2.91Å; D578-Q582 VanDerWaalsContact O-CG 3.31Å; D578-Q582 WeakPolarHBondContact O-CG 3.39Å; D578-Q582 PolarHBondContact O-N 3.26Å; A579-Q582 PolarHBondContact O-N 3.29Å; L580-Q582 VanDerWaalsContact C-N 3.28Å; L580-Q582 PolarHBondContact O-N 2.98Å; Q582-E584 VanDerWaalsContact C-N 3.32Å; Q582-E584 PolarHBondContact O-N 2.68Å; Q582-V585 PolarHBondContact O-N 2.89Å; Q582-E586 WeakPolarHBondContact O-CB 2.78Å; Q582-E586 VanDerWaalsContact O-CG 3.32Å; Q582-E586 WeakPolarHBondContact O-CG 3.37Å; Q582-E586 PolarHBondContact O-N 2.9Å
583	T	85.5	Confident	82	Confident	9 Å²	9	75 Å²	75	6%	0.055	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-37.6	175.8	50.2	0	0	0	0	112.8	Y569 A579 L580 K587 R588 I593	Y569-T583 HydrophobicContact CD2-CG2 4.43Å; Y569-T583 HydrophobicContact CE2-CG2 3.74Å; A579-T583 PolarHBondContact O-N 2.91Å; A579-T583 PolarHBondContact O-OG1 3.18Å; L580-T583 WeakPolarHBondContact CA-OG1 3.06Å; L580-T583 PolarHBondContact O-N 3.13Å; L580-T583 VanDerWaalsContact O-N 3.13Å; L580-T583 PolarHBondContact O-OG1 2.95Å; T583-K587 PolarHBondContact O-N 3.07Å; T583-K587 VanDerWaalsContact O-N 3.12Å; T583-R588 PolarHBondContact O-N 2.82Å; T583-I593 HydrophobicContact CG2-CD1 3.86Å; T583-I593 HydrophobicContact CG2-CG1 3.96Å
584	E	84	Confident	81.5	Confident	149 Å²	149	78.6 Å²	78.6	70%	0.696	39%	0.386	S	S	*	.	H	α-helix	trans	-65.1	-47.8	174.7	-71.6	-179.6	168.7	0	0	111.8	L580 R581 Q582 E586 K587	L580-E584 PolarHBondContact O-N 3.23Å; R581-E584 PolarHBondContact O-N 2.83Å; Q582-E584 VanDerWaalsContact C-N 3.32Å; Q582-E584 PolarHBondContact O-N 2.68Å; E584-E586 PolarHBondContact O-N 2.87Å; E584-K587 PolarHBondContact O-N 3.45Å; E584-K587 VanDerWaalsContact O-N 3.13Å
585	V	84.6	Confident	80.7	Confident	116 Å²	116	79.1 Å²	79.1	70%	0.703	40%	0.395	S	S	*	.	H	α-helix	trans	-63.3	-41.3	179.4	171.6	0	0	0	0	111.7	R581 Q582 K587	R581-V585 VanDerWaalsContact O-CG2 3.28Å; R581-V585 WeakPolarHBondContact O-CG2 3.41Å; R581-V585 PolarHBondContact O-N 2.89Å; R581-V585 VanDerWaalsContact O-N 3.1Å; Q582-V585 PolarHBondContact O-N 2.89Å; V585-K587 PolarHBondContact O-N 3.31Å
586	E	84.9	Confident	79.8	Confident	79 Å²	79	81 Å²	81	37%	0.369	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.5	178.3	-67.1	-175.9	-156.2	0	0	113.5	Y569 K570 Q582 E584 R588	Y569-E586 PolarHBondContact OH-OE1 3.47Å; Y569-E586 PolarHBondContact OH-OE2 3.06Å; K570-E586 WeakPolarHBondContact CE-OE2 3.46Å; K570-E586 IonicContact NZ-OE1 2.62Å; K570-E586 PolarHBondContact NZ-OE1 3.29Å; K570-E586 IonicContact NZ-OE2 3.97Å; K570-E586 PolarHBondContact NZ-OE2 3.31Å; Q582-E586 WeakPolarHBondContact O-CB 2.78Å; Q582-E586 VanDerWaalsContact O-CG 3.32Å; Q582-E586 WeakPolarHBondContact O-CG 3.37Å; Q582-E586 PolarHBondContact O-N 2.9Å; E584-E586 PolarHBondContact O-N 2.87Å; E586-R588 HydrophobicContact CB-CB 4.27Å; E586-R588 PolarHBondContact O-N 3.46Å; E586-R588 IonicContact OE2-NH1 3.31Å
587	K	80.1	Confident	79.2	Confident	197 Å²	197	83 Å²	83	86%	0.857	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	40.2	-173.7	-60.5	-177.5	178.8	179.9	0	112.6	T583 E584 V585	T583-K587 PolarHBondContact O-N 3.07Å; T583-K587 VanDerWaalsContact O-N 3.12Å; E584-K587 PolarHBondContact O-N 3.45Å; E584-K587 VanDerWaalsContact O-N 3.13Å; V585-K587 PolarHBondContact O-N 3.31Å
588	R	72.1	Confident	78	Confident	143 Å²	143	83.6 Å²	83.6	54%	0.54	43%	0.434	S	S	.	.			trans	-109.3	154.1	-174.6	-143.3	167.5	-172.7	169.9	2.3	111	T583 E586 T592	T583-R588 PolarHBondContact O-N 2.82Å; E586-R588 HydrophobicContact CB-CB 4.27Å; E586-R588 PolarHBondContact O-N 3.46Å; E586-R588 IonicContact OE2-NH1 3.31Å; R588-T592 HydrophobicContact CG-CG2 4.25Å
589	G	68.9	Low	76.9	Confident	45 Å²	45	83.7 Å²	83.7	46%	0.464	43%	0.431	S	S	.	.			trans	-67.4	145	177.7	0	0	0	0	0	113	Q591 T592	G589-Q591 PolarHBondContact O-N 3.2Å; G589-T592 PolarHBondContact O-N 3.22Å; G589-T592 PolarHBondContact O-OG1 2.95Å
590	S	66.8	Low	75.8	Confident	80 Å²	80	93.2 Å²	93.2	56%	0.559	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-55.4	-19.1	174.8	-178.2	0	0	0	0	113.5	T592 I593	S590-T592 PolarHBondContact O-N 3.24Å; S590-I593 PolarHBondContact O-N 2.86Å
591	Q	66.3	Low	75.2	Confident	197 Å²	197	93.2 Å²	93.2	92%	0.921	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-55.6	-13.6	174.2	-65.1	179.4	-9.5	0	0	114.8	G589 I593	G589-Q591 PolarHBondContact O-N 3.2Å; Q591-I593 VanDerWaalsContact C-N 3.34Å
592	T	73.7	Confident	74.4	Confident	44 Å²	44	91.4 Å²	91.4	27%	0.27	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-81.9	-9.9	175	53.6	0	0	0	0	114.2	R588 G589 S590	R588-T592 HydrophobicContact CG-CG2 4.25Å; G589-T592 PolarHBondContact O-N 3.22Å; G589-T592 PolarHBondContact O-OG1 2.95Å; S590-T592 PolarHBondContact O-N 3.24Å
593	I	79.1	Confident	73.4	Confident	16 Å²	16	89.6 Å²	89.6	8%	0.082	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.8	178	-55.7	176.5	0	0	0	107.9	V567 Y569 A579 L580 T583 S590 Q591 T595	V567-I593 HydrophobicContact CB-CG2 3.81Å; V567-I593 HydrophobicContact CG1-CG2 4.23Å; V567-I593 HydrophobicContact CG2-CG2 3.73Å; Y569-I593 HydrophobicContact CD2-CG1 4.11Å; A579-I593 HydrophobicContact CB-CD1 3.97Å; A579-I593 HydrophobicContact CB-CG1 4.26Å; L580-I593 HydrophobicContact CD2-CD1 3.89Å; L580-I593 HydrophobicContact CG-CD1 4.34Å; T583-I593 HydrophobicContact CG2-CD1 3.86Å; T583-I593 HydrophobicContact CG2-CG1 3.96Å; S590-I593 PolarHBondContact O-N 2.86Å; Q591-I593 VanDerWaalsContact C-N 3.34Å; I593-T595 HydrophobicContact CG2-CG2 3.96Å; I593-T595 PolarHBondContact O-N 3.43Å
594	E	77.6	Confident	72.6	Confident	92 Å²	92	97.1 Å²	97.1	43%	0.43	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.8	170	-59.7	173.5	-169.8	0	0	108.3	K554 I568 P596	K554-E594 WeakPolarHBondContact CE-OE2 3.5Å; K554-E594 IonicContact NZ-OE1 2.88Å; K554-E594 PolarHBondContact NZ-OE1 2.72Å; K554-E594 IonicContact NZ-OE2 3.67Å; K554-E594 PolarHBondContact NZ-OE2 3.4Å; I568-E594 HydrophobicContact CB-CB 4.18Å; I568-E594 PolarHBondContact N-O 2.84Å; I568-E594 PolarHBondContact O-N 3.01Å; E594-P596 WeakPolarHBondContact O-CD 3.37Å
595	T	72.1	Confident	72	Confident	64 Å²	64	97.4 Å²	97.4	39%	0.393	50%	0.502	S	S	.	.			trans	-108.1	68.6	171	55.7	0	0	0	0	110.6	V567 I593 C597	V567-T595 HydrophobicContact CG1-CG2 3.84Å; I593-T595 HydrophobicContact CG2-CG2 3.96Å; I593-T595 PolarHBondContact O-N 3.43Å; T595-C597 PolarHBondContact O-N 3.38Å; T595-C597 VanDerWaalsContact O-N 3.17Å
596	P	70.9	Confident	71.6	Confident	49 Å²	49	93.7 Å²	93.7	32%	0.318	48%	0.478	S	S	.	.			trans	-67.7	119.7	178.5	28.2	-32.5	0	0	0	109.5	P558 I568 E594	P558-P596 HydrophobicContact CB-CG 3.62Å; P558-P596 HydrophobicContact CG-CG 3.71Å; I568-P596 HydrophobicContact CD1-CG 4.38Å; E594-P596 WeakPolarHBondContact O-CD 3.37Å
597	C	74.6	Confident	71.6	Confident	65 Å²	65	94.5 Å²	94.5	44%	0.439	49%	0.485	S	S	.	.			trans	-100.7	91.4	171.4	-59.5	0	0	0	0	107.2	C496 T595	C496-C597 WeakPolarHBondContact CA-SG 3.19Å; C496-C597 HydrophobicContact CB-CB 3.7Å; C496-C597 WeakPolarHBondContact CB-SG 3.23Å; C496-C597 WeakPolarHBondContact SG-CB 3.37Å; C496-C597 CovalentContact SG-SG 2.04Å; C496-C597 PolarHBondContact SG-SG 3.23Å; T595-C597 PolarHBondContact O-N 3.38Å; T595-C597 VanDerWaalsContact O-N 3.17Å
598	S	61.2	Low	71.9	Confident	84 Å²	84	85.5 Å²	85.5	59%	0.587	45%	0.447	S	S	*	.			trans	-110.4	-7	-172.6	63.4	0	0	0	0	114.5
599	Y	66.2	Low	72.6	Confident	58 Å²	58	82.4 Å²	82.4	23%	0.227	45%	0.451	C	S	.	.	S	Bend	trans	-94.2	148	-173.4	64.2	-90.3	0	0	0	113.2	D493 T498 S601	D493-Y599 WeakPolarHBondContact CB-OH 3.15Å; D493-Y599 PolarHBondContact OD2-OH 3.14Å; T498-Y599 VanDerWaalsContact OG1-CE2 3.26Å; T498-Y599 WeakPolarHBondContact OG1-CE2 3.42Å; T498-Y599 PolarHBondContact OG1-OH 2.82Å; Y599-S601 PolarHBondContact O-N 3.28Å
600	K	64.6	Low	73.5	Confident	199 Å²	199	84.5 Å²	84.5	87%	0.865	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-72.4	122.6	173.4	-69.2	-177.7	179.1	179.2	0	109.3
601	S	73.7	Confident	74.5	Confident	45 Å²	45	81.3 Å²	81.3	32%	0.315	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.2	141.7	169.8	-173	0	0	0	0	110.3	W499 Y599 G603	W499-S601 PolarHBondContact N-OG 3.49Å; W499-S601 VanDerWaalsContact N-OG 3.12Å; Y599-S601 PolarHBondContact O-N 3.28Å; S601-G603 PolarHBondContact OG-N 3.41Å
602	F	70.8	Confident	75.4	Confident	136 Å²	136	76.6 Å²	76.6	60%	0.596	42%	0.424	S	S	*	.			trans	-73.7	-17.1	168.4	-77	-86.5	0	0	0	113.1	W499	W499-F602 PolarHBondContact O-N 3.45Å
603	G	64.5	Low	76	Confident	14 Å²	14	76.1 Å²	76.1	14%	0.144	42%	0.42	C	S	.	.	S	Bend	trans	-59.7	156.2	-171.8	0	0	0	0	0	113.6	S449 S601 N605	S449-G603 WeakPolarHBondContact O-CA 3.06Å; S601-G603 PolarHBondContact OG-N 3.41Å; G603-N605 PolarHBondContact O-N 3.39Å
604	R	67.4	Low	76.5	Confident	167 Å²	167	75.7 Å²	75.7	63%	0.63	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-67.4	131.4	173.6	-70.6	-179.3	-178.9	-178.4	2.6	109	S449 L606	S449-R604 PolarHBondContact O-N 3.24Å; R604-L606 PolarHBondContact O-N 3.07Å
605	N	71	Confident	77.1	Confident	156 Å²	156	72.8 Å²	72.8	83%	0.834	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-59.8	127.3	168.5	-77	-17.9	0	0	0	108.9	G603 N607	G603-N605 PolarHBondContact O-N 3.39Å; N605-N607 PolarHBondContact O-N 2.83Å
606	L	77.7	Confident	78	Confident	37 Å²	37	70.2 Å²	70.2	19%	0.194	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-68	120.9	178.7	-176.1	73.6	0	0	0	109.5	L446 R604 I611 I620 H623	L446-L606 HydrophobicContact CD2-CD1 4.25Å; R604-L606 PolarHBondContact O-N 3.07Å; L606-I611 HydrophobicContact CD1-CD1 4.23Å; L606-I611 HydrophobicContact CD2-CD1 4.34Å; L606-I611 HydrophobicContact CG-CD1 4.39Å; L606-I620 HydrophobicContact CD2-CB 4.25Å; L606-I620 HydrophobicContact CD2-CD1 3.9Å; L606-I620 HydrophobicContact CD2-CG1 3.94Å; L606-I620 HydrophobicContact CD2-CG2 3.28Å; L606-H623 HydrophobicContact CD2-CB 4.44Å
607	N	83.7	Confident	78.9	Confident	96 Å²	96	68 Å²	68	51%	0.513	38%	0.38	S	S	.	.			trans	-91.9	113.5	172.3	-176.5	3.6	0	0	0	109.3	N605 A609 S610	N605-N607 PolarHBondContact O-N 2.83Å; N607-A609 PolarHBondContact O-N 3.31Å; N607-A609 VanDerWaalsContact O-N 3.14Å; N607-A609 WeakPolarHBondContact OD1-CB 3.5Å; N607-A609 PolarHBondContact OD1-N 3.03Å; N607-S610 PolarHBondContact O-N 3.07Å; N607-S610 VanDerWaalsContact O-N 3.12Å; N607-S610 PolarHBondContact O-OG 3.03Å
608	C	87.6	Confident	79.7	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.061	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-55.4	-34	175.9	-53.4	0	0	0	0	111.6	S610 I611 C625 C632 T634	C608-S610 PolarHBondContact O-N 3.43Å; C608-I611 WeakPolarHBondContact O-CB 3.34Å; C608-I611 PolarHBondContact O-N 2.96Å; C608-C625 HydrophobicContact CB-CB 3.91Å; C608-C625 WeakPolarHBondContact CB-SG 3.14Å; C608-C625 WeakPolarHBondContact SG-CA 3.24Å; C608-C625 WeakPolarHBondContact SG-CB 3.38Å; C608-C625 CovalentContact SG-SG 2.04Å; C608-C625 PolarHBondContact SG-SG 2.02Å; C608-C632 CarbonylContact C-O 3.54Å; C608-C632 VanDerWaalsContact O-CB 3.24Å; C608-C632 WeakPolarHBondContact O-CB 3.23Å; C608-T634 VanDerWaalsContact SG-CG2 3.51Å
609	A	87.1	Confident	81.1	Confident	77 Å²	77	62.3 Å²	62.3	64%	0.636	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.8	-177.5	0	0	0	0	0	114.3	N607 I611	N607-A609 PolarHBondContact O-N 3.31Å; N607-A609 VanDerWaalsContact O-N 3.14Å; N607-A609 WeakPolarHBondContact OD1-CB 3.5Å; N607-A609 PolarHBondContact OD1-N 3.03Å; A609-I611 PolarHBondContact O-N 3.39Å
610	S	86.2	Confident	82.1	Confident	89 Å²	89	60.6 Å²	60.6	62%	0.622	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-80.3	-5.7	174.3	64.1	0	0	0	0	113.2	N607 C608	N607-S610 PolarHBondContact O-N 3.07Å; N607-S610 VanDerWaalsContact O-N 3.12Å; N607-S610 PolarHBondContact O-OG 3.03Å; C608-S610 PolarHBondContact O-N 3.43Å
611	I	87.7	Confident	82.5	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.072	31%	0.31	C	S	.	.			trans	-98.7	115.2	-176.8	-59.9	164.5	0	0	0	108.3	L606 C608 A609 T616 C617 I620 C632	L606-I611 HydrophobicContact CD1-CD1 4.23Å; L606-I611 HydrophobicContact CD2-CD1 4.34Å; L606-I611 HydrophobicContact CG-CD1 4.39Å; C608-I611 WeakPolarHBondContact O-CB 3.34Å; C608-I611 PolarHBondContact O-N 2.96Å; A609-I611 PolarHBondContact O-N 3.39Å; I611-T616 HydrophobicContact CG2-CG2 3.97Å; I611-C617 HydrophobicContact CG2-CB 4Å; I611-I620 HydrophobicContact CD1-CD1 3.28Å; I611-I620 HydrophobicContact CD1-CG1 4.26Å; I611-C632 HydrophobicContact CB-CB 4.02Å; I611-C632 HydrophobicContact CG2-CB 4.3Å; I611-C632 VanDerWaalsContact O-CB 3.22Å; I611-C632 WeakPolarHBondContact O-CB 3.43Å
612	S	85.2	Confident	82.4	Confident	97 Å²	97	56.4 Å²	56.4	68%	0.678	34%	0.335	S	S	*	.			trans	-98.5	2.3	-175.5	62.3	0	0	0	0	113.6	W627	S612-W627 WeakPolarHBondContact O-CH2 3.37Å
613	D	86.6	Confident	82.4	Confident	34 Å²	34	52.9 Å²	52.9	18%	0.182	32%	0.32	C	S	.	.			trans	-125.4	136	-175.7	76	97.7	0	0	0	112.5	A615 T616 C617	D613-A615 PolarHBondContact O-N 2.95Å; D613-T616 WeakPolarHBondContact OD1-CA 3.47Å; D613-T616 WeakPolarHBondContact OD1-CB 3.38Å; D613-T616 PolarHBondContact OD1-N 3.29Å; D613-T616 PolarHBondContact OD1-OG1 3.26Å; D613-T616 WeakPolarHBondContact OD2-CB 3.41Å; D613-T616 PolarHBondContact OD2-OG1 2.76Å; D613-T616 VanDerWaalsContact OD2-OG1 3.08Å; D613-C617 VanDerWaalsContact O-CB 3.28Å; D613-C617 WeakPolarHBondContact O-CB 3.48Å; D613-C617 PolarHBondContact O-N 2.85Å
614	C	89.8	Confident	83	Confident	8 Å²	8	56 Å²	56	5%	0.054	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-41.9	-174.9	-179.3	0	0	0	0	112.3	C617 T618 W627 C647	C614-C617 PolarHBondContact O-N 2.75Å; C614-T618 WeakPolarHBondContact O-CG2 3.26Å; C614-T618 PolarHBondContact O-N 2.64Å; C614-T618 PolarHBondContact O-OG1 3.25Å; C614-W627 HydrophobicContact CB-CB 4.46Å; C614-W627 HydrophobicContact CB-CD2 3.62Å; C614-W627 HydrophobicContact CB-CE3 4.09Å; C614-W627 HydrophobicContact CB-CG 3.78Å; C614-W627 HydrophobicContact CB-CZ2 4.32Å; C614-W627 VanDerWaalsContact SG-CD1 3.58Å; C614-W627 VanDerWaalsContact SG-CG 3.52Å; C614-C647 HydrophobicContact CB-CB 3.65Å; C614-C647 WeakPolarHBondContact CB-SG 3.5Å; C614-C647 PolarHBondContact O-SG 3.41Å; C614-C647 VanDerWaalsContact SG-CA 3.57Å; C614-C647 WeakPolarHBondContact SG-CB 3.48Å; C614-C647 CovalentContact SG-SG 2.04Å; C614-C647 PolarHBondContact SG-SG 2.78Å
615	A	90.2	Very high	84	Confident	30 Å²	30	48.7 Å²	48.7	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-43.9	-175.4	0	0	0	0	0	111.7	G394 D613 T618 S619	G394-A615 WeakPolarHBondContact O-CB 3.49Å; D613-A615 PolarHBondContact O-N 2.95Å; A615-T618 PolarHBondContact O-OG1 3.2Å; A615-S619 VanDerWaalsContact O-CB 3.28Å; A615-S619 WeakPolarHBondContact O-CB 3.35Å; A615-S619 PolarHBondContact O-N 3.02Å; A615-S619 PolarHBondContact O-OG 3.4Å
616	T	90.7	Very high	84.9	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-46.4	173.5	-58.6	0	0	0	0	110.5	A395 L446 I611 D613 T618 S619 I620	A395-T616 HydrophobicContact CB-CG2 3.9Å; L446-T616 HydrophobicContact CB-CG2 4.27Å; L446-T616 HydrophobicContact CD2-CG2 3.83Å; I611-T616 HydrophobicContact CG2-CG2 3.97Å; D613-T616 WeakPolarHBondContact OD1-CA 3.47Å; D613-T616 WeakPolarHBondContact OD1-CB 3.38Å; D613-T616 PolarHBondContact OD1-N 3.29Å; D613-T616 PolarHBondContact OD1-OG1 3.26Å; D613-T616 WeakPolarHBondContact OD2-CB 3.41Å; D613-T616 PolarHBondContact OD2-OG1 2.76Å; D613-T616 VanDerWaalsContact OD2-OG1 3.08Å; T616-T618 PolarHBondContact O-N 2.9Å; T616-T618 VanDerWaalsContact O-N 3.15Å; T616-S619 PolarHBondContact O-N 3.17Å; T616-I620 WeakPolarHBondContact O-CG1 3.41Å
617	C	91.4	Very high	85.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-54.6	-36.9	179.6	-175.3	0	0	0	0	113.2	I611 D613 C614 I620 R626 W627 C632	I611-C617 HydrophobicContact CG2-CB 4Å; D613-C617 VanDerWaalsContact O-CB 3.28Å; D613-C617 WeakPolarHBondContact O-CB 3.48Å; D613-C617 PolarHBondContact O-N 2.85Å; C614-C617 PolarHBondContact O-N 2.75Å; C617-I620 WeakPolarHBondContact O-CD1 3.28Å; C617-R626 PolarHBondContact SG-O 3.48Å; C617-R626 VanDerWaalsContact SG-O 3.35Å; C617-W627 HydrophobicContact CB-CE3 3.79Å; C617-W627 HydrophobicContact CB-CZ3 4.47Å; C617-C632 HydrophobicContact CB-CB 3.65Å; C617-C632 WeakPolarHBondContact CB-SG 3.38Å; C617-C632 VanDerWaalsContact SG-CA 3.51Å; C617-C632 WeakPolarHBondContact SG-CB 3.4Å; C617-C632 CovalentContact SG-SG 2.03Å; C617-C632 PolarHBondContact SG-SG 2.93Å
618	T	90.3	Very high	85.8	Confident	19 Å²	19	41 Å²	41	12%	0.117	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.5	-179.6	55.8	0	0	0	0	114.2	C614 A615 T616 W627 I641 P644	C614-T618 WeakPolarHBondContact O-CG2 3.26Å; C614-T618 PolarHBondContact O-N 2.64Å; C614-T618 PolarHBondContact O-OG1 3.25Å; A615-T618 PolarHBondContact O-OG1 3.2Å; T616-T618 PolarHBondContact O-N 2.9Å; T616-T618 VanDerWaalsContact O-N 3.15Å; T618-W627 HydrophobicContact CG2-CB 4.27Å; T618-I641 HydrophobicContact CG2-CB 4.45Å; T618-I641 HydrophobicContact CG2-CG2 4.13Å; T618-I641 WeakPolarHBondContact CG2-O 3.21Å; T618-P644 VanDerWaalsContact OG1-CA 3.28Å; T618-P644 WeakPolarHBondContact OG1-CA 3.33Å
619	S	90.8	Very high	85.7	Confident	12 Å²	12	43.3 Å²	43.3	8%	0.084	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	25.9	-178.1	-52.9	0	0	0	0	113.2	G394 K445 L446 A615 T616	G394-S619 WeakPolarHBondContact CA-OG 3.11Å; K445-S619 WeakPolarHBondContact CA-O 3.46Å; K445-S619 WeakPolarHBondContact CB-O 3.49Å; L446-S619 PolarHBondContact N-O 3.45Å; A615-S619 VanDerWaalsContact O-CB 3.28Å; A615-S619 WeakPolarHBondContact O-CB 3.35Å; A615-S619 PolarHBondContact O-N 3.02Å; A615-S619 PolarHBondContact O-OG 3.4Å; T616-S619 PolarHBondContact O-N 3.17Å
620	I	87.2	Confident	85.6	Confident	22 Å²	22	45.7 Å²	45.7	11%	0.113	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-88	133.5	175.2	-66.5	148.9	0	0	0	109.6	L446 L606 I611 T616 C617 H623 C625	L446-I620 HydrophobicContact CB-CG1 4.43Å; L606-I620 HydrophobicContact CD2-CB 4.25Å; L606-I620 HydrophobicContact CD2-CD1 3.9Å; L606-I620 HydrophobicContact CD2-CG1 3.94Å; L606-I620 HydrophobicContact CD2-CG2 3.28Å; I611-I620 HydrophobicContact CD1-CD1 3.28Å; I611-I620 HydrophobicContact CD1-CG1 4.26Å; T616-I620 WeakPolarHBondContact O-CG1 3.41Å; C617-I620 WeakPolarHBondContact O-CD1 3.28Å; I620-H623 HydrophobicContact CG2-CB 3.73Å; I620-C625 HydrophobicContact CD1-CB 3.76Å
621	E	73.6	Confident	85.8	Confident	75 Å²	75	48.4 Å²	48.4	35%	0.35	29%	0.288	S	S	.	.	S	Bend	trans	-88.1	137.8	176.9	-162.7	141.9	-136.5	0	0	111.6	K445 L446 L447 H623	K445-E621 HydrophobicContact CD-CB 4.37Å; K445-E621 WeakPolarHBondContact CD-OE2 3.13Å; K445-E621 IonicContact NZ-OE1 3.85Å; K445-E621 PolarHBondContact NZ-OE1 3.27Å; K445-E621 IonicContact NZ-OE2 3.04Å; K445-E621 PolarHBondContact NZ-OE2 3.41Å; L446-E621 PolarHBondContact O-N 3.22Å; L447-E621 HydrophobicContact CD2-CB 3.56Å; L447-E621 HydrophobicContact CD2-CG 4.23Å; L447-E621 WeakPolarHBondContact CD2-OE2 3.4Å; E621-H623 PolarHBondContact O-N 2.06Å; E621-H623 VanDerWaalsContact O-N 3.14Å; E621-H623 PolarHBondContact O-ND1 2.94Å
622	G	70.4	Confident	85.9	Confident	81 Å²	81	47.9 Å²	47.9	84%	0.835	29%	0.286	S	S	*	.	S	Bend	trans	72	0.1	173	0	0	0	0	0	116.9
623	H	72	Confident	86.2	Confident	62 Å²	62	44.1 Å²	44.1	29%	0.287	26%	0.261	S	S	.	.	S	Bend	trans	-121.7	145	179.5	-68.3	65.6	0	0	0	112.2	L606 I620 E621 C625	L606-H623 HydrophobicContact CD2-CB 4.44Å; I620-H623 HydrophobicContact CG2-CB 3.73Å; E621-H623 PolarHBondContact O-N 2.06Å; E621-H623 VanDerWaalsContact O-N 3.14Å; E621-H623 PolarHBondContact O-ND1 2.94Å; H623-C625 PolarHBondContact O-N 3.24Å
624	P	77.8	Confident	86.3	Confident	79 Å²	79	46.4 Å²	46.4	51%	0.513	28%	0.276	S	S	.	.			trans	-83	29.9	-174.1	35.6	-36.9	0	0	0	113.7	T634	P624-T634 HydrophobicContact CG-CG2 4.12Å
625	C	87.6	Confident	86.1	Confident	14 Å²	14	51.8 Å²	51.8	10%	0.095	30%	0.304	C	S	.	.			trans	-65.9	141.9	178.5	-59.3	0	0	0	0	111.1	C608 I620 H623	C608-C625 HydrophobicContact CB-CB 3.91Å; C608-C625 WeakPolarHBondContact CB-SG 3.14Å; C608-C625 WeakPolarHBondContact SG-CA 3.24Å; C608-C625 WeakPolarHBondContact SG-CB 3.38Å; C608-C625 CovalentContact SG-SG 2.04Å; C608-C625 PolarHBondContact SG-SG 2.02Å; I620-C625 HydrophobicContact CD1-CB 3.76Å; H623-C625 PolarHBondContact O-N 3.24Å
626	R	89.2	Confident	85.9	Confident	84 Å²	84	51.1 Å²	51.1	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.7	177.9	-55.2	-175.6	-172	150.2	11.4	109.2	C617 A633	C617-R626 PolarHBondContact SG-O 3.48Å; C617-R626 VanDerWaalsContact SG-O 3.35Å; R626-A633 PolarHBondContact N-O 1.98Å; R626-A633 PolarHBondContact O-N 3.37Å
627	W	90.6	Very high	85.4	Confident	22 Å²	22	56 Å²	56	8%	0.083	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.3	176.8	-171.7	-99	0	0	0	110.1	S612 C614 C617 T618 G629 C632 I641	S612-W627 WeakPolarHBondContact O-CH2 3.37Å; C614-W627 HydrophobicContact CB-CB 4.46Å; C614-W627 HydrophobicContact CB-CD2 3.62Å; C614-W627 HydrophobicContact CB-CE3 4.09Å; C614-W627 HydrophobicContact CB-CG 3.78Å; C614-W627 HydrophobicContact CB-CZ2 4.32Å; C614-W627 VanDerWaalsContact SG-CD1 3.58Å; C614-W627 VanDerWaalsContact SG-CG 3.52Å; C617-W627 HydrophobicContact CB-CE3 3.79Å; C617-W627 HydrophobicContact CB-CZ3 4.47Å; T618-W627 HydrophobicContact CG2-CB 4.27Å; W627-G629 VanDerWaalsContact CD1-N 3.32Å; W627-G629 PolarHBondContact NE1-O 2.94Å; W627-C632 HydrophobicContact CE3-CB 3.91Å; W627-C632 HydrophobicContact CZ3-CB 4.01Å; W627-I641 HydrophobicContact CB-CB 4.18Å; W627-I641 PolarHBondContact N-O 3.24Å; W627-I641 PolarHBondContact O-N 3.44Å
628	C	91	Very high	84.7	Confident	22 Å²	22	60.1 Å²	60.1	15%	0.149	36%	0.359	C	S	.	.			trans	-96.9	7.9	-176.3	-46.8	0	0	0	0	114	R631 C636	C628-R631 PolarHBondContact N-O 2.95Å; C628-C636 WeakPolarHBondContact CA-SG 3.27Å; C628-C636 HydrophobicContact CB-CB 3.86Å; C628-C636 WeakPolarHBondContact CB-SG 3.25Å; C628-C636 WeakPolarHBondContact SG-CA 3.24Å; C628-C636 WeakPolarHBondContact SG-CB 3.09Å; C628-C636 CovalentContact SG-SG 2.04Å; C628-C636 PolarHBondContact SG-SG 2.88Å
629	G	83.9	Confident	84	Confident	56 Å²	56	67 Å²	67	58%	0.577	39%	0.389	S	S	*	.	S	Bend	trans	114.4	-48.6	-179.2	0	0	0	0	0	112.8	W627	W627-G629 VanDerWaalsContact CD1-N 3.32Å; W627-G629 PolarHBondContact NE1-O 2.94Å
630	D	85.7	Confident	83.7	Confident	127 Å²	127	70.3 Å²	70.3	68%	0.679	40%	0.403	S	S	*	.	S	Bend	trans	-117.8	-23.5	-177.2	63.5	-22.2	0	0	0	113.9
631	R	89.4	Confident	83.7	Confident	146 Å²	146	70.4 Å²	70.4	55%	0.551	40%	0.404	S	S	*	.	S	Bend	trans	-143	158.2	-176.7	70.9	-167.5	-180	177.6	-0.8	112.4	C628	C628-R631 PolarHBondContact N-O 2.95Å
632	C	90.8	Very high	84.1	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.02	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.6	169.5	-171.6	0	0	0	0	110.4	C608 I611 C617 W627	C608-C632 CarbonylContact C-O 3.54Å; C608-C632 VanDerWaalsContact O-CB 3.24Å; C608-C632 WeakPolarHBondContact O-CB 3.23Å; I611-C632 HydrophobicContact CB-CB 4.02Å; I611-C632 HydrophobicContact CG2-CB 4.3Å; I611-C632 VanDerWaalsContact O-CB 3.22Å; I611-C632 WeakPolarHBondContact O-CB 3.43Å; C617-C632 HydrophobicContact CB-CB 3.65Å; C617-C632 WeakPolarHBondContact CB-SG 3.38Å; C617-C632 VanDerWaalsContact SG-CA 3.51Å; C617-C632 WeakPolarHBondContact SG-CB 3.4Å; C617-C632 CovalentContact SG-SG 2.03Å; C617-C632 PolarHBondContact SG-SG 2.93Å; W627-C632 HydrophobicContact CE3-CB 3.91Å; W627-C632 HydrophobicContact CZ3-CB 4.01Å
633	A	91.2	Very high	84.8	Confident	18 Å²	18	74.9 Å²	74.9	15%	0.149	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166	179.7	0	0	0	0	0	111.6	R626	R626-A633 PolarHBondContact N-O 1.98Å; R626-A633 PolarHBondContact O-N 3.37Å
634	T	88.3	Confident	85.5	Confident	83 Å²	83	73.1 Å²	73.1	51%	0.509	39%	0.393	S	S	.	.	S	Bend	trans	-80.6	-31.5	171	49.9	0	0	0	0	112	C608 P624	C608-T634 VanDerWaalsContact SG-CG2 3.51Å; P624-T634 HydrophobicContact CG-CG2 4.12Å
635	D	87	Confident	85.9	Confident	120 Å²	120	74.8 Å²	74.8	64%	0.642	40%	0.398	S	S	*	.			trans	-112.6	117.4	179.2	-167.8	10.5	0	0	0	110.5
636	C	84.7	Confident	85.8	Confident	17 Å²	17	79.8 Å²	79.8	12%	0.115	42%	0.423	C	S	.	.			trans	-119.4	110	175.4	-65	0	0	0	0	108.6	C628 S638 Q640	C628-C636 WeakPolarHBondContact CA-SG 3.27Å; C628-C636 HydrophobicContact CB-CB 3.86Å; C628-C636 WeakPolarHBondContact CB-SG 3.25Å; C628-C636 WeakPolarHBondContact SG-CA 3.24Å; C628-C636 WeakPolarHBondContact SG-CB 3.09Å; C628-C636 CovalentContact SG-SG 2.04Å; C628-C636 PolarHBondContact SG-SG 2.88Å; C636-S638 VanDerWaalsContact C-N 3.25Å; C636-S638 PolarHBondContact O-N 3.21Å; C636-Q640 HydrophobicContact CB-CB 4.21Å
637	P	80.5	Confident	85.7	Confident	114 Å²	114	76.6 Å²	76.6	74%	0.74	41%	0.413	S	S	*	.	S	Bend	trans	-64.4	-27.9	-179.9	-21.7	32.3	0	0	0	113.7
638	S	76.2	Confident	85.2	Confident	87 Å²	87	79.5 Å²	79.5	61%	0.608	44%	0.435	S	S	*	.	S	Bend	trans	-145.9	158.2	-176.1	52.5	0	0	0	0	111.7	C636	C636-S638 VanDerWaalsContact C-N 3.25Å; C636-S638 PolarHBondContact O-N 3.21Å
639	H	76.7	Confident	84.2	Confident	163 Å²	163	85.4 Å²	85.4	76%	0.755	47%	0.47	S	S	*	.			trans	23.5	91	178.4	-152.9	-82.8	0	0	0	115.7
640	Q	84.6	Confident	83.4	Confident	82 Å²	82	86.5 Å²	86.5	38%	0.383	47%	0.466	S	S	.	.			trans	-99.2	129.3	-178.2	60.9	-170.6	-32.5	0	0	111.7	C636	C636-Q640 HydrophobicContact CB-CB 4.21Å
641	I	86.3	Confident	82.7	Confident	23 Å²	23	83.9 Å²	83.9	12%	0.118	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-93.6	129.1	168	-52.1	178.2	0	0	0	108.3	T618 W627 K643 L646	T618-I641 HydrophobicContact CG2-CB 4.45Å; T618-I641 HydrophobicContact CG2-CG2 4.13Å; T618-I641 WeakPolarHBondContact CG2-O 3.21Å; W627-I641 HydrophobicContact CB-CB 4.18Å; W627-I641 PolarHBondContact N-O 3.24Å; W627-I641 PolarHBondContact O-N 3.44Å; I641-K643 WeakPolarHBondContact CG2-O 3.34Å; I641-L646 HydrophobicContact CG2-CB 3.61Å
642	K	83.3	Confident	82.2	Confident	115 Å²	115	79.1 Å²	79.1	50%	0.5	44%	0.437	S	S	.	.			trans	-117.9	-10.3	-178.4	-64.8	-174.3	-177.6	178.4	0	114.2
643	K	85	Confident	82	Confident	135 Å²	135	79.1 Å²	79.1	59%	0.587	44%	0.437	S	S	*	.	S	Bend	trans	-125	139.8	-178.7	-67.8	-173.8	177.6	-176.8	0	109.5	I641 D645 L646	I641-K643 WeakPolarHBondContact CG2-O 3.34Å; K643-D645 VanDerWaalsContact C-N 3.26Å; K643-D645 PolarHBondContact O-N 2.96Å; K643-L646 HydrophobicContact CB-CD1 4.22Å; K643-L646 HydrophobicContact CB-CG 4.43Å; K643-L646 PolarHBondContact O-N 3.16Å
644	P	85.4	Confident	81.6	Confident	25 Å²	25	81.3 Å²	81.3	16%	0.162	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-62.1	-32.6	-179	23.7	-33.5	0	0	0	112.9	T618 L646 C647	T618-P644 VanDerWaalsContact OG1-CA 3.28Å; T618-P644 WeakPolarHBondContact OG1-CA 3.33Å; P644-L646 PolarHBondContact O-N 3.07Å; P644-L646 VanDerWaalsContact O-N 3.14Å; P644-C647 VanDerWaalsContact O-CB 3.26Å; P644-C647 WeakPolarHBondContact O-CB 3.46Å; P644-C647 PolarHBondContact O-N 2.98Å
645	D	86	Confident	81.5	Confident	114 Å²	114	79.2 Å²	79.2	61%	0.61	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-66.5	-16.3	-179.1	-50.3	-38.2	0	0	0	113.8	K643	K643-D645 VanDerWaalsContact C-N 3.26Å; K643-D645 PolarHBondContact O-N 2.96Å
646	L	87.1	Confident	81.6	Confident	119 Å²	119	76.3 Å²	76.3	62%	0.623	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-93.5	-5.6	177.2	-65.8	172.7	0	0	0	112.3	I641 K643 P644	I641-L646 HydrophobicContact CG2-CB 3.61Å; K643-L646 HydrophobicContact CB-CD1 4.22Å; K643-L646 HydrophobicContact CB-CG 4.43Å; K643-L646 PolarHBondContact O-N 3.16Å; P644-L646 PolarHBondContact O-N 3.07Å; P644-L646 VanDerWaalsContact O-N 3.14Å
647	C	86	Confident	81.9	Confident	17 Å²	17	76.8 Å²	76.8	12%	0.115	42%	0.416	C	S	.	.	S	Bend	trans	-74	144.7	177.5	-70.7	0	0	0	0	110.9	C614 P644 T649	C614-C647 HydrophobicContact CB-CB 3.65Å; C614-C647 WeakPolarHBondContact CB-SG 3.5Å; C614-C647 PolarHBondContact O-SG 3.41Å; C614-C647 VanDerWaalsContact SG-CA 3.57Å; C614-C647 WeakPolarHBondContact SG-CB 3.48Å; C614-C647 CovalentContact SG-SG 2.04Å; C614-C647 PolarHBondContact SG-SG 2.78Å; P644-C647 VanDerWaalsContact O-CB 3.26Å; P644-C647 WeakPolarHBondContact O-CB 3.46Å; P644-C647 PolarHBondContact O-N 2.98Å; C647-T649 PolarHBondContact O-N 3.42Å
648	P	79.9	Confident	82.3	Confident	83 Å²	83	72 Å²	72	54%	0.539	38%	0.384	S	S	.	.			trans	-60.6	138.5	171.6	26.2	-32.6	0	0	0	109.7	T650	P648-T650 HydrophobicContact CG-CG2 4.48Å; P648-T650 PolarHBondContact O-N 3.18Å
649	T	70.8	Confident	82.9	Confident	146 Å²	146	68.9 Å²	68.9	90%	0.896	36%	0.362	S	S	*	.			trans	-69.3	98.3	172.4	51.5	0	0	0	0	108.7	C647	C647-T649 PolarHBondContact O-N 3.42Å
650	T	66.6	Low	83.6	Confident	80 Å²	80	62.7 Å²	62.7	49%	0.491	33%	0.334	S	S	.	.			trans	-95.3	130.7	173.1	56.5	0	0	0	0	109.5	P648 N652	P648-T650 HydrophobicContact CG-CG2 4.48Å; P648-T650 PolarHBondContact O-N 3.18Å; T650-N652 PolarHBondContact O-N 3.25Å; T650-N652 PolarHBondContact OG1-OD1 3.11Å; T650-N652 VanDerWaalsContact OG1-OD1 3.05Å
651	I	71.8	Confident	83.8	Confident	72 Å²	72	58.8 Å²	58.8	37%	0.369	32%	0.316	S	S	.	.			trans	-81	105.2	167.2	-66.4	159.7	0	0	0	105.9	C653 S666	I651-C653 VanDerWaalsContact C-N 3.26Å; I651-C653 PolarHBondContact O-N 2.82Å; I651-S666 WeakPolarHBondContact CD1-OG 2.94Å
652	N	79.1	Confident	84	Confident	45 Å²	45	57.7 Å²	57.7	24%	0.241	31%	0.31	C	S	.	.			trans	-75	79.8	-179.2	-68.6	-11	0	0	0	110.4	T650 S654 F655	T650-N652 PolarHBondContact O-N 3.25Å; T650-N652 PolarHBondContact OG1-OD1 3.11Å; T650-N652 VanDerWaalsContact OG1-OD1 3.05Å; N652-S654 PolarHBondContact O-N 3.38Å; N652-S654 VanDerWaalsContact O-N 3.07Å; N652-F655 HydrophobicContact CB-CD1 4.11Å; N652-F655 HydrophobicContact CB-CD2 4Å; N652-F655 HydrophobicContact CB-CE1 4.15Å; N652-F655 HydrophobicContact CB-CE2 4.08Å; N652-F655 HydrophobicContact CB-CG 4.03Å; N652-F655 HydrophobicContact CB-CZ 4.16Å; N652-F655 WeakPolarHBondContact ND2-CZ 3.34Å; N652-F655 WeakPolarHBondContact O-CB 3.36Å; N652-F655 PolarHBondContact O-N 2.79Å
653	C	85.4	Confident	84.2	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.02	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.8	177.1	-61.4	0	0	0	0	111.9	I651 F655 F656 C669 C681 E683	I651-C653 VanDerWaalsContact C-N 3.26Å; I651-C653 PolarHBondContact O-N 2.82Å; C653-F655 PolarHBondContact O-N 3.35Å; C653-F656 WeakPolarHBondContact O-CD2 3.37Å; C653-F656 PolarHBondContact O-N 3.09Å; C653-C669 VanDerWaalsContact CA-SG 3.57Å; C653-C669 HydrophobicContact CB-CB 3.88Å; C653-C669 WeakPolarHBondContact CB-SG 3.34Å; C653-C669 WeakPolarHBondContact SG-CA 3.33Å; C653-C669 WeakPolarHBondContact SG-CB 3.47Å; C653-C669 CovalentContact SG-SG 2.04Å; C653-C669 PolarHBondContact SG-SG 3.4Å; C653-C681 WeakPolarHBondContact O-CB 3.46Å; C653-C681 PolarHBondContact O-SG 2.8Å; C653-E683 HydrophobicContact CB-CG 4.33Å; C653-E683 VanDerWaalsContact SG-CG 3.59Å
654	S	83.9	Confident	84.2	Confident	64 Å²	64	50.4 Å²	50.4	45%	0.448	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.9	-6.8	177.5	63.1	0	0	0	0	115.5	N652 F656	N652-S654 PolarHBondContact O-N 3.38Å; N652-S654 VanDerWaalsContact O-N 3.07Å; S654-F656 VanDerWaalsContact C-N 3.35Å
655	F	85.5	Confident	83.9	Confident	40 Å²	40	51.2 Å²	51.2	18%	0.175	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-86	-8.4	174.1	-69.4	2.8	0	0	0	112.9	R398 N652 C653 Y657	R398-F655 HydrophobicContact CG-CD1 3.9Å; R398-F655 HydrophobicContact CG-CE1 3.64Å; R398-F655 HydrophobicContact CG-CE2 4.38Å; R398-F655 HydrophobicContact CG-CG 4.41Å; R398-F655 HydrophobicContact CG-CZ 3.89Å; N652-F655 HydrophobicContact CB-CD1 4.11Å; N652-F655 HydrophobicContact CB-CD2 4Å; N652-F655 HydrophobicContact CB-CE1 4.15Å; N652-F655 HydrophobicContact CB-CE2 4.08Å; N652-F655 HydrophobicContact CB-CG 4.03Å; N652-F655 HydrophobicContact CB-CZ 4.16Å; N652-F655 WeakPolarHBondContact ND2-CZ 3.34Å; N652-F655 WeakPolarHBondContact O-CB 3.36Å; N652-F655 PolarHBondContact O-N 2.79Å; C653-F655 PolarHBondContact O-N 3.35Å; F655-Y657 WeakPolarHBondContact O-CD2 3.41Å; F655-Y657 WeakPolarHBondContact O-CE2 3.32Å
656	F	89.2	Confident	83.6	Confident	59 Å²	59	46.4 Å²	46.4	26%	0.259	27%	0.269	S	S	.	.			trans	-101.9	119.5	179.5	-52.5	-67.4	0	0	0	110.7	C653 S654 A661 C662 A665 C681	C653-F656 WeakPolarHBondContact O-CD2 3.37Å; C653-F656 PolarHBondContact O-N 3.09Å; S654-F656 VanDerWaalsContact C-N 3.35Å; F656-A661 HydrophobicContact CB-CB 4.09Å; F656-A661 HydrophobicContact CD1-CB 3.87Å; F656-A661 HydrophobicContact CG-CB 4.34Å; F656-C662 HydrophobicContact CB-CB 4.15Å; F656-A665 HydrophobicContact CD1-CB 4.13Å; F656-A665 HydrophobicContact CD2-CB 3.7Å; F656-A665 HydrophobicContact CE1-CB 3.66Å; F656-A665 HydrophobicContact CE2-CB 3.21Å; F656-A665 HydrophobicContact CG-CB 4.15Å; F656-A665 HydrophobicContact CZ-CB 3.19Å; F656-C681 HydrophobicContact CB-CB 4.1Å; F656-C681 VanDerWaalsContact O-CB 3.25Å; F656-C681 WeakPolarHBondContact O-CB 3.41Å
657	Y	90.7	Very high	83.1	Confident	27 Å²	27	46.1 Å²	46.1	11%	0.106	27%	0.274	C	S	.	.			trans	-110.7	8.7	-172.8	-57	-77.3	0	0	0	113.9	R398 A422 S425 F655 W671 N741	R398-Y657 PolarHBondContact NH1-OH 2.78Å; A422-Y657 HydrophobicContact CB-CD1 4.11Å; A422-Y657 HydrophobicContact CB-CD2 3.41Å; A422-Y657 VanDerWaalsContact CB-CD2 3.41Å; A422-Y657 HydrophobicContact CB-CE1 4.4Å; A422-Y657 HydrophobicContact CB-CE2 3.71Å; A422-Y657 HydrophobicContact CB-CG 3.6Å; A422-Y657 WeakPolarHBondContact O-CE2 3.22Å; A422-Y657 PolarHBondContact O-OH 3.3Å; S425-Y657 WeakPolarHBondContact CA-O 3.41Å; S425-Y657 WeakPolarHBondContact CB-O 3.33Å; F655-Y657 WeakPolarHBondContact O-CD2 3.41Å; F655-Y657 WeakPolarHBondContact O-CE2 3.32Å; Y657-W671 WeakPolarHBondContact O-CH2 3.26Å; Y657-N741 WeakPolarHBondContact CB-ND2 3.1Å
658	N	89.4	Confident	83.1	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.064	29%	0.294	C	S	.	.	S	Bend	trans	-138.4	157.5	169.4	70.5	44.9	0	0	0	110.8	L370 H660 A661 C662	L370-N658 PolarHBondContact O-ND2 3.49Å; N658-H660 VanDerWaalsContact C-N 3.33Å; N658-H660 PolarHBondContact O-N 3.06Å; N658-H660 PolarHBondContact OD1-N 3.01Å; N658-A661 PolarHBondContact O-N 3.31Å; N658-A661 WeakPolarHBondContact OD1-CB 3.32Å; N658-A661 PolarHBondContact OD1-N 3.38Å; N658-C662 WeakPolarHBondContact O-CB 3.41Å; N658-C662 PolarHBondContact O-N 3.4Å
659	C	88.3	Confident	83.4	Confident	22 Å²	22	47.1 Å²	47.1	15%	0.149	27%	0.27	C	S	.	.	H	α-helix	trans	-51.8	-50.7	-177.1	-170.5	0	0	0	0	111.7	A661 C662 E663 W671 M706 C711	C659-A661 PolarHBondContact O-N 2.81Å; C659-C662 PolarHBondContact O-N 3.41Å; C659-E663 WeakPolarHBondContact O-CG 3.28Å; C659-E663 PolarHBondContact O-N 2.84Å; C659-W671 HydrophobicContact CB-CD2 4.22Å; C659-W671 HydrophobicContact CB-CG 4Å; C659-M706 VanDerWaalsContact SG-CE 3.57Å; C659-C711 HydrophobicContact CB-CB 3.69Å; C659-C711 WeakPolarHBondContact CB-SG 3.49Å; C659-C711 WeakPolarHBondContact SG-CB 3.33Å; C659-C711 CovalentContact SG-SG 2.04Å; C659-C711 PolarHBondContact SG-SG 2.89Å
660	H	90.6	Very high	84.2	Confident	33 Å²	33	41.2 Å²	41.2	15%	0.153	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-44.4	-175.2	-174.4	78.1	0	0	0	112.5	L370 Y371 N658 T664 C711 P713	L370-H660 PolarHBondContact O-CD2 2.82Å; Y371-H660 AromaticContact CE1-CD2 3.78Å; Y371-H660 AromaticContact CE1-NE2 3.88Å; N658-H660 VanDerWaalsContact C-N 3.33Å; N658-H660 PolarHBondContact O-N 3.06Å; N658-H660 PolarHBondContact OD1-N 3.01Å; H660-T664 VanDerWaalsContact O-CB 3.22Å; H660-T664 WeakPolarHBondContact O-CB 3.42Å; H660-T664 PolarHBondContact O-N 2.88Å; H660-T664 VanDerWaalsContact O-N 3.08Å; H660-T664 PolarHBondContact O-OG1 2.83Å; H660-C711 HydrophobicContact CB-CB 4.16Å; H660-P713 HydrophobicContact CB-CG 3.83Å
661	A	90.5	Very high	85.2	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-42.3	177.1	0	0	0	0	0	111.9	Y371 F656 N658 C659 A665	Y371-A661 HydrophobicContact CD1-CB 4.09Å; F656-A661 HydrophobicContact CB-CB 4.09Å; F656-A661 HydrophobicContact CD1-CB 3.87Å; F656-A661 HydrophobicContact CG-CB 4.34Å; N658-A661 PolarHBondContact O-N 3.31Å; N658-A661 WeakPolarHBondContact OD1-CB 3.32Å; N658-A661 PolarHBondContact OD1-N 3.38Å; C659-A661 PolarHBondContact O-N 2.81Å; A661-A665 WeakPolarHBondContact O-CB 3.09Å; A661-A665 PolarHBondContact O-N 3.04Å
662	C	90.1	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-52.3	179.9	-175.5	0	0	0	0	112	F656 N658 C659 T664 A665 W671 C681	F656-C662 HydrophobicContact CB-CB 4.15Å; N658-C662 WeakPolarHBondContact O-CB 3.41Å; N658-C662 PolarHBondContact O-N 3.4Å; C659-C662 PolarHBondContact O-N 3.41Å; C662-T664 VanDerWaalsContact C-N 3.32Å; C662-T664 PolarHBondContact O-N 2.99Å; C662-A665 PolarHBondContact O-N 2.93Å; C662-W671 HydrophobicContact CB-CB 4.37Å; C662-W671 HydrophobicContact CB-CD2 4.42Å; C662-W671 HydrophobicContact CB-CE3 3.63Å; C662-W671 HydrophobicContact CB-CZ3 4.32Å; C662-C681 VanDerWaalsContact CA-SG 3.5Å; C662-C681 HydrophobicContact CB-CB 3.62Å; C662-C681 WeakPolarHBondContact CB-SG 3.29Å; C662-C681 VanDerWaalsContact SG-CA 3.5Å; C662-C681 WeakPolarHBondContact SG-CB 3.36Å; C662-C681 CovalentContact SG-SG 2.02Å; C662-C681 PolarHBondContact SG-SG 3.4Å
663	E	87.1	Confident	86.1	Confident	30 Å²	30	42.1 Å²	42.1	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-73	-24.7	-175.6	-63	-63.6	152.1	0	0	112.5	C659 W671 V708	C659-E663 WeakPolarHBondContact O-CG 3.28Å; C659-E663 PolarHBondContact O-N 2.84Å; E663-W671 HydrophobicContact CG-CB 4.43Å; E663-W671 WeakPolarHBondContact OE1-CB 3.24Å; E663-W671 PolarHBondContact OE1-N 3.19Å; E663-V708 HydrophobicContact CB-CG1 4.4Å; E663-V708 HydrophobicContact CB-CG2 3.99Å
664	T	85.8	Confident	85.8	Confident	66 Å²	66	43.8 Å²	43.8	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-85.5	-25.4	176.8	-51.1	0	0	0	0	112.6	Y371 H660 C662	Y371-T664 HydrophobicContact CE1-CG2 4.19Å; H660-T664 VanDerWaalsContact O-CB 3.22Å; H660-T664 WeakPolarHBondContact O-CB 3.42Å; H660-T664 PolarHBondContact O-N 2.88Å; H660-T664 VanDerWaalsContact O-N 3.08Å; H660-T664 PolarHBondContact O-OG1 2.83Å; C662-T664 VanDerWaalsContact C-N 3.32Å; C662-T664 PolarHBondContact O-N 2.99Å
665	A	79.1	Confident	85.5	Confident	43 Å²	43	49.6 Å²	49.6	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-67.2	-42.2	-172.9	0	0	0	0	0	113.8	F656 A661 C662	F656-A665 HydrophobicContact CD1-CB 4.13Å; F656-A665 HydrophobicContact CD2-CB 3.7Å; F656-A665 HydrophobicContact CE1-CB 3.66Å; F656-A665 HydrophobicContact CE2-CB 3.21Å; F656-A665 HydrophobicContact CG-CB 4.15Å; F656-A665 HydrophobicContact CZ-CB 3.19Å; A661-A665 WeakPolarHBondContact O-CB 3.09Å; A661-A665 PolarHBondContact O-N 3.04Å; C662-A665 PolarHBondContact O-N 2.93Å
666	S	78.5	Confident	85.1	Confident	12 Å²	12	55.1 Å²	55.1	8%	0.084	28%	0.283	C	S	.	.			trans	-164.8	146.4	179.8	176.5	0	0	0	0	111.9	I651 H668 C669	I651-S666 WeakPolarHBondContact CD1-OG 2.94Å; S666-H668 PolarHBondContact O-N 3.31Å; S666-H668 PolarHBondContact OG-N 2.82Å; S666-C669 PolarHBondContact O-N 3.05Å; S666-C669 VanDerWaalsContact O-N 3.08Å
667	P	77.8	Confident	84.5	Confident	113 Å²	113	59.4 Å²	59.4	73%	0.734	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.1	168.8	29.1	-38	0	0	0	114
668	H	84.2	Confident	84	Confident	117 Å²	117	59.7 Å²	59.7	54%	0.542	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.4	176.8	-60.1	-60.1	0	0	0	113.9	S666 E683 V684	S666-H668 PolarHBondContact O-N 3.31Å; S666-H668 PolarHBondContact OG-N 2.82Å; H668-E683 CarbonylContact O-C 3.56Å; H668-E683 WeakPolarHBondContact O-CA 3.32Å; H668-V684 PolarHBondContact O-N 3.43Å
669	C	87.4	Confident	83.8	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.027	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.8	176.1	-60.8	0	0	0	0	110.3	C653 S666 T682	C653-C669 VanDerWaalsContact CA-SG 3.57Å; C653-C669 HydrophobicContact CB-CB 3.88Å; C653-C669 WeakPolarHBondContact CB-SG 3.34Å; C653-C669 WeakPolarHBondContact SG-CA 3.33Å; C653-C669 WeakPolarHBondContact SG-CB 3.47Å; C653-C669 CovalentContact SG-SG 2.04Å; C653-C669 PolarHBondContact SG-SG 3.4Å; S666-C669 PolarHBondContact O-N 3.05Å; S666-C669 VanDerWaalsContact O-N 3.08Å; C669-T682 CarbonylContact C-O 3.5Å; C669-T682 WeakPolarHBondContact CA-O 3.48Å
670	T	87.6	Confident	83.8	Confident	22 Å²	22	65.6 Å²	65.6	14%	0.135	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.7	174.2	-175.9	0	0	0	0	111.3	I672 T682 V684	T670-I672 HydrophobicContact CG2-CG2 3.98Å; T670-T682 PolarHBondContact N-O 3.25Å; T670-T682 PolarHBondContact O-N 3.05Å; T670-V684 HydrophobicContact CG2-CG2 3.76Å
671	W	87.4	Confident	83.7	Confident	37 Å²	37	64.4 Å²	64.4	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.7	179	-168.2	-110.8	0	0	0	111.3	Y657 C659 C662 E663 Y679 C681	Y657-W671 WeakPolarHBondContact O-CH2 3.26Å; C659-W671 HydrophobicContact CB-CD2 4.22Å; C659-W671 HydrophobicContact CB-CG 4Å; C662-W671 HydrophobicContact CB-CB 4.37Å; C662-W671 HydrophobicContact CB-CD2 4.42Å; C662-W671 HydrophobicContact CB-CE3 3.63Å; C662-W671 HydrophobicContact CB-CZ3 4.32Å; E663-W671 HydrophobicContact CG-CB 4.43Å; E663-W671 WeakPolarHBondContact OE1-CB 3.24Å; E663-W671 PolarHBondContact OE1-N 3.19Å; W671-Y679 AromaticContact CD1-CD1 3.97Å; W671-Y679 HydrophobicContact CZ2-CG 4.29Å; W671-Y679 AromaticContact NE1-CD1 3.47Å; W671-Y679 AromaticContact NE1-CG 3.77Å; W671-C681 HydrophobicContact CE3-CB 3.75Å; W671-C681 HydrophobicContact CZ3-CB 3.81Å
672	I	86.7	Confident	83.6	Confident	70 Å²	70	66.5 Å²	66.5	36%	0.359	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.5	-175.7	63.3	167.8	0	0	0	112.3	T670 Y679 T680 T682	T670-I672 HydrophobicContact CG2-CG2 3.98Å; I672-Y679 CarbonylContact O-C 3.42Å; I672-Y679 WeakPolarHBondContact O-CA 3.2Å; I672-T680 PolarHBondContact N-O 3.43Å; I672-T680 PolarHBondContact O-N 2.02Å; I672-T682 HydrophobicContact CD1-CG2 3.88Å; I672-T682 VanDerWaalsContact CD1-OG1 3.28Å; I672-T682 WeakPolarHBondContact CD1-OG1 3.45Å; I672-T682 HydrophobicContact CG1-CG2 4.05Å
673	F	83.2	Confident	83.3	Confident	109 Å²	109	72 Å²	72	48%	0.478	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.3	168	-168.6	-112.8	0	0	0	109.1	H677 Y679	F673-H677 HydrophobicContact CE1-CB 4.32Å; F673-H677 AromaticContact CE1-ND1 3.84Å; F673-H677 HydrophobicContact CE2-CB 4.49Å; F673-H677 VanDerWaalsContact CE2-O 3.28Å; F673-H677 WeakPolarHBondContact CE2-O 3.49Å; F673-H677 VanDerWaalsContact CZ-C 3.42Å; F673-H677 HydrophobicContact CZ-CB 3.74Å; F673-Y679 HydrophobicContact CB-CD1 3.99Å; F673-Y679 HydrophobicContact CB-CE1 3.78Å; F673-Y679 AromaticContact CD2-CD1 3.98Å; F673-Y679 HydrophobicContact CD2-CD1 3.98Å; F673-Y679 AromaticContact CD2-CD2 3.72Å; F673-Y679 HydrophobicContact CD2-CD2 3.72Å; F673-Y679 AromaticContact CD2-CE1 3.89Å; F673-Y679 HydrophobicContact CD2-CE1 3.89Å; F673-Y679 AromaticContact CD2-CE2 3.6Å; F673-Y679 HydrophobicContact CD2-CE2 3.6Å; F673-Y679 AromaticContact CD2-CG 3.9Å; F673-Y679 HydrophobicContact CD2-CG 3.9Å; F673-Y679 AromaticContact CD2-CZ 3.69Å; F673-Y679 HydrophobicContact CE2-CD2 4.15Å; F673-Y679 AromaticContact CE2-CE2 3.95Å; F673-Y679 HydrophobicContact CE2-CE2 3.95Å; F673-Y679 HydrophobicContact CG-CD1 4.5Å; F673-Y679 HydrophobicContact CG-CE1 4.25Å
674	N	79.2	Confident	82.9	Confident	38 Å²	38	73.8 Å²	73.8	20%	0.203	38%	0.378	C	S	.	.			trans	-90.5	173.1	-173.6	71.4	22.9	0	0	0	113.1	H676 H677 V678 T680	N674-H676 PolarHBondContact O-N 2.95Å; N674-H676 WeakPolarHBondContact OD1-CA 3.43Å; N674-H676 WeakPolarHBondContact OD1-CB 3.44Å; N674-H676 PolarHBondContact OD1-N 2.04Å; N674-H677 PolarHBondContact O-N 3.05Å; N674-H677 PolarHBondContact OD1-N 3.03Å; N674-V678 PolarHBondContact N-O 2.98Å; N674-V678 PolarHBondContact ND2-O 2.96Å; N674-V678 PolarHBondContact OD1-N 2.96Å; N674-V678 PolarHBondContact OD1-O 2.82Å; N674-T680 WeakPolarHBondContact ND2-CG2 2.85Å; N674-T680 PolarHBondContact ND2-OG1 3.03Å
675	E	77.3	Confident	82	Confident	187 Å²	187	80 Å²	80	87%	0.874	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	178.8	-62.8	178.4	180	0	0	113.7	H677	E675-H677 PolarHBondContact O-N 2.86Å
676	H	76.7	Confident	80.9	Confident	156 Å²	156	83 Å²	83	72%	0.722	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	11.3	176	-61.9	-59.6	0	0	0	113.2	N674 V678	N674-H676 PolarHBondContact O-N 2.95Å; N674-H676 WeakPolarHBondContact OD1-CA 3.43Å; N674-H676 WeakPolarHBondContact OD1-CB 3.44Å; N674-H676 PolarHBondContact OD1-N 2.04Å; H676-V678 VanDerWaalsContact C-N 3.28Å; H676-V678 PolarHBondContact O-N 3.08Å
677	H	76.4	Confident	79	Confident	149 Å²	149	86.9 Å²	86.9	69%	0.69	44%	0.438	S	S	*	.	S	Bend	trans	60	33.7	-176	-56.4	-68.5	0	0	0	113.9	F673 N674 E675	F673-H677 HydrophobicContact CE1-CB 4.32Å; F673-H677 AromaticContact CE1-ND1 3.84Å; F673-H677 HydrophobicContact CE2-CB 4.49Å; F673-H677 VanDerWaalsContact CE2-O 3.28Å; F673-H677 WeakPolarHBondContact CE2-O 3.49Å; F673-H677 VanDerWaalsContact CZ-C 3.42Å; F673-H677 HydrophobicContact CZ-CB 3.74Å; N674-H677 PolarHBondContact O-N 3.05Å; N674-H677 PolarHBondContact OD1-N 3.03Å; E675-H677 PolarHBondContact O-N 2.86Å
678	V	81.3	Confident	77	Confident	32 Å²	32	87 Å²	87	19%	0.194	44%	0.439	C	S	.	.			trans	-128.7	139.7	179.5	179.9	0	0	0	0	109.9	S425 N674 H676 T680	S425-V678 VanDerWaalsContact OG-CG1 3.27Å; S425-V678 WeakPolarHBondContact OG-CG1 3.33Å; N674-V678 PolarHBondContact N-O 2.98Å; N674-V678 PolarHBondContact ND2-O 2.96Å; N674-V678 PolarHBondContact OD1-N 2.96Å; N674-V678 PolarHBondContact OD1-O 2.82Å; H676-V678 VanDerWaalsContact C-N 3.28Å; H676-V678 PolarHBondContact O-N 3.08Å; V678-T680 HydrophobicContact CG1-CG2 4.47Å
679	Y	85.5	Confident	74.9	Confident	119 Å²	119	90.6 Å²	90.6	47%	0.467	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132	172.3	-70.8	-85.2	0	0	0	111.2	S425 W671 I672 F673	S425-Y679 WeakPolarHBondContact CB-O 3.35Å; S425-Y679 PolarHBondContact OG-O 2.7Å; W671-Y679 AromaticContact CD1-CD1 3.97Å; W671-Y679 HydrophobicContact CZ2-CG 4.29Å; W671-Y679 AromaticContact NE1-CD1 3.47Å; W671-Y679 AromaticContact NE1-CG 3.77Å; I672-Y679 CarbonylContact O-C 3.42Å; I672-Y679 WeakPolarHBondContact O-CA 3.2Å; F673-Y679 HydrophobicContact CB-CD1 3.99Å; F673-Y679 HydrophobicContact CB-CE1 3.78Å; F673-Y679 AromaticContact CD2-CD1 3.98Å; F673-Y679 HydrophobicContact CD2-CD1 3.98Å; F673-Y679 AromaticContact CD2-CD2 3.72Å; F673-Y679 HydrophobicContact CD2-CD2 3.72Å; F673-Y679 AromaticContact CD2-CE1 3.89Å; F673-Y679 HydrophobicContact CD2-CE1 3.89Å; F673-Y679 AromaticContact CD2-CE2 3.6Å; F673-Y679 HydrophobicContact CD2-CE2 3.6Å; F673-Y679 AromaticContact CD2-CG 3.9Å; F673-Y679 HydrophobicContact CD2-CG 3.9Å; F673-Y679 AromaticContact CD2-CZ 3.69Å; F673-Y679 HydrophobicContact CE2-CD2 4.15Å; F673-Y679 AromaticContact CE2-CE2 3.95Å; F673-Y679 HydrophobicContact CE2-CE2 3.95Å; F673-Y679 HydrophobicContact CG-CD1 4.5Å; F673-Y679 HydrophobicContact CG-CE1 4.25Å
680	T	87.7	Confident	72.4	Confident	40 Å²	40	98.4 Å²	98.4	25%	0.245	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.1	-178.7	50.4	0	0	0	0	111.4	I672 N674 V678	I672-T680 PolarHBondContact N-O 3.43Å; I672-T680 PolarHBondContact O-N 2.02Å; N674-T680 WeakPolarHBondContact ND2-CG2 2.85Å; N674-T680 PolarHBondContact ND2-OG1 3.03Å; V678-T680 HydrophobicContact CG1-CG2 4.47Å
681	C	88.9	Confident	69.9	Low	7 Å²	7	101.8 Å²	101.8	5%	0.047	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.7	172.9	-170.9	0	0	0	0	110.2	C653 F656 C662 W671	C653-C681 WeakPolarHBondContact O-CB 3.46Å; C653-C681 PolarHBondContact O-SG 2.8Å; F656-C681 HydrophobicContact CB-CB 4.1Å; F656-C681 VanDerWaalsContact O-CB 3.25Å; F656-C681 WeakPolarHBondContact O-CB 3.41Å; C662-C681 VanDerWaalsContact CA-SG 3.5Å; C662-C681 HydrophobicContact CB-CB 3.62Å; C662-C681 WeakPolarHBondContact CB-SG 3.29Å; C662-C681 VanDerWaalsContact SG-CA 3.5Å; C662-C681 WeakPolarHBondContact SG-CB 3.36Å; C662-C681 CovalentContact SG-SG 2.02Å; C662-C681 PolarHBondContact SG-SG 3.4Å; W671-C681 HydrophobicContact CE3-CB 3.75Å; W671-C681 HydrophobicContact CZ3-CB 3.81Å
682	T	86.8	Confident	67.4	Low	46 Å²	46	106.4 Å²	106.4	28%	0.282	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.1	157.6	-175.4	61	0	0	0	0	111.6	C669 T670 I672	C669-T682 CarbonylContact C-O 3.5Å; C669-T682 WeakPolarHBondContact CA-O 3.48Å; T670-T682 PolarHBondContact N-O 3.25Å; T670-T682 PolarHBondContact O-N 3.05Å; I672-T682 HydrophobicContact CD1-CG2 3.88Å; I672-T682 VanDerWaalsContact CD1-OG1 3.28Å; I672-T682 WeakPolarHBondContact CD1-OG1 3.45Å; I672-T682 HydrophobicContact CG1-CG2 4.05Å
683	E	83.8	Confident	64.9	Low	114 Å²	114	111.9 Å²	111.9	53%	0.533	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.3	136.5	173.6	-68.9	178.1	-169.6	0	0	110.7	C653 H668 K685	C653-E683 HydrophobicContact CB-CG 4.33Å; C653-E683 VanDerWaalsContact SG-CG 3.59Å; H668-E683 CarbonylContact O-C 3.56Å; H668-E683 WeakPolarHBondContact O-CA 3.32Å; E683-K685 PolarHBondContact O-N 3.34Å
684	V	79.8	Confident	62.6	Low	69 Å²	69	117.4 Å²	117.4	42%	0.418	60%	0.599	S	S	.	*			trans	-66.6	105.1	172.9	179.3	0	0	0	0	108.1	H668 T670 T686	H668-V684 PolarHBondContact O-N 3.43Å; T670-V684 HydrophobicContact CG2-CG2 3.76Å; V684-T686 PolarHBondContact O-N 2.83Å; V684-T686 VanDerWaalsContact O-N 3.09Å
685	K	67.2	Low	60.2	Low	195 Å²	195	122.7 Å²	122.7	85%	0.848	62%	0.62	S	S	*	*			trans	-65.1	109.9	171.9	-66.5	-178.5	-178.7	176.6	0	108.4	E683	E683-K685 PolarHBondContact O-N 3.34Å
686	T	56.2	Low	58.1	Low	108 Å²	108	117.3 Å²	117.3	66%	0.663	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-60	133.1	163.8	42.6	0	0	0	0	108	V684	V684-T686 PolarHBondContact O-N 2.83Å; V684-T686 VanDerWaalsContact O-N 3.09Å
687	P	37.9	Very low	56.3	Low	92 Å²	92	117.2 Å²	117.2	60%	0.597	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-54.7	137.2	170.5	-21.6	31.4	0	0	0	108.8	E689	P687-E689 PolarHBondContact O-N 3.37Å
688	P	36.7	Very low	54.2	Low	116 Å²	116	114.5 Å²	114.5	75%	0.753	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.7	131.4	178.8	20.1	-30.3	0	0	0	109.4	N690	P688-N690 PolarHBondContact O-N 3.01Å
689	E	38.2	Very low	51.7	Low	193 Å²	193	117.9 Å²	117.9	90%	0.902	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	79.3	-179.1	-70.1	-176.1	149.2	0	0	111.2	P687	P687-E689 PolarHBondContact O-N 3.37Å
690	N	36.1	Very low	49.4	Very low	168 Å²	168	117.2 Å²	117.2	90%	0.898	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.7	12.5	164.1	-103.2	-18.9	0	0	0	115.5	P688	P688-N690 PolarHBondContact O-N 3.01Å
691	S	35.1	Very low	47	Very low	92 Å²	92	119 Å²	119	64%	0.643	64%	0.64	S	S	*	*	S	Bend	trans	-130.1	107.5	172.5	58	0	0	0	0	112.5
692	V	34.6	Very low	44.4	Very low	134 Å²	134	129.4 Å²	129.4	81%	0.812	68%	0.679	S	S	*	*	S	Bend	trans	78.8	104	154.3	-168.4	0	0	0	0	117.9
693	K	34.9	Very low	42.2	Very low	186 Å²	186	133.5 Å²	133.5	81%	0.809	70%	0.704	S	S	*	*			trans	35.7	103.8	148.4	-67.5	-176.5	178.2	178.9	0	117.1	K695	K693-K695 PolarHBondContact O-N 2.7Å
694	K	34.8	Very low	40.4	Very low	224 Å²	224	133 Å²	133	97%	0.974	71%	0.713	S	S	*	*			trans	-3.1	81.2	149.2	-71.8	-178.5	176.4	179.2	0	113.6
695	K	27.7	Very low	39	Very low	149 Å²	149	132 Å²	132	65%	0.648	72%	0.717	S	S	*	*			trans	-101.3	135.6	154.9	-83.3	179.3	157.6	-151.8	0	106.6	K693 E699	K693-K695 PolarHBondContact O-N 2.7Å; K695-E699 WeakPolarHBondContact CB-OE2 3.28Å; K695-E699 WeakPolarHBondContact CD-OE2 3.46Å; K695-E699 WeakPolarHBondContact CG-OE2 3.36Å; K695-E699 IonicContact NZ-OE2 3.15Å
696	S	34.5	Very low	38.2	Very low	75 Å²	75	127.6 Å²	127.6	52%	0.524	70%	0.7	S	S	.	*			trans	-48.9	143.8	-175.1	176.4	0	0	0	0	111.1	S698 E699	S696-S698 WeakPolarHBondContact CB-OG 3.08Å; S696-S698 PolarHBondContact O-N 3.08Å; S696-S698 PolarHBondContact OG-OG 2.8Å; S696-E699 PolarHBondContact O-N 3.38Å
697	L	38.2	Very low	38.3	Very low	154 Å²	154	127.6 Å²	127.6	81%	0.806	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	-23.7	176.6	-131.4	80.8	0	0	0	113.1	E699	L697-E699 VanDerWaalsContact C-N 3.34Å
698	S	32.7	Very low	39.4	Very low	91 Å²	91	125.9 Å²	125.9	64%	0.636	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-20.7	174.7	54.8	0	0	0	0	114.9	S696	S696-S698 WeakPolarHBondContact CB-OG 3.08Å; S696-S698 PolarHBondContact O-N 3.08Å; S696-S698 PolarHBondContact OG-OG 2.8Å
699	E	29.3	Very low	40.8	Very low	104 Å²	104	124.8 Å²	124.8	49%	0.486	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-18.8	-179.6	-70.7	-176.1	-174.7	0	0	113.4	K695 S696 L697 A701	K695-E699 WeakPolarHBondContact CB-OE2 3.28Å; K695-E699 WeakPolarHBondContact CD-OE2 3.46Å; K695-E699 WeakPolarHBondContact CG-OE2 3.36Å; K695-E699 IonicContact NZ-OE2 3.15Å; S696-E699 PolarHBondContact O-N 3.38Å; L697-E699 VanDerWaalsContact C-N 3.34Å; E699-A701 VanDerWaalsContact C-N 3.28Å; E699-A701 PolarHBondContact O-N 3.42Å
700	I	37.1	Very low	42.3	Very low	105 Å²	105	118.2 Å²	118.2	54%	0.538	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-20.6	179.9	-59.6	173.5	0	0	0	111.3	R702	I700-R702 PolarHBondContact O-N 2.02Å
701	A	36.8	Very low	44.5	Very low	76 Å²	76	110.6 Å²	110.6	63%	0.628	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	7	-169.9	0	0	0	0	0	116.7	E699	E699-A701 VanDerWaalsContact C-N 3.28Å; E699-A701 PolarHBondContact O-N 3.42Å
702	R	34.7	Very low	46.9	Very low	227 Å²	227	109.7 Å²	109.7	86%	0.857	60%	0.602	S	S	*	*	S	Bend	trans	-139	9.4	-171.4	-76.3	-166.4	179.7	162.5	0.7	119.1	I700	I700-R702 PolarHBondContact O-N 2.02Å
703	T	39.9	Very low	49.5	Very low	132 Å²	132	103.8 Å²	103.8	81%	0.81	57%	0.567	S	S	*	*	S	Bend	trans	-98.3	-0.4	-175.8	42.9	0	0	0	0	116.2
704	S	45.6	Very low	52.3	Low	104 Å²	104	95.2 Å²	95.2	73%	0.727	53%	0.53	S	S	*	.	S	Bend	trans	-144.4	1.1	173.1	57.4	0	0	0	0	116.1	M706	S704-M706 PolarHBondContact O-N 3.06Å
705	G	50	Low	54.9	Low	48 Å²	48	86.2 Å²	86.2	50%	0.495	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-75.7	121.4	174.9	0	0	0	0	0	110.6
706	M	52.2	Low	57.9	Low	101 Å²	101	84.1 Å²	84.1	50%	0.498	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-54.4	138.3	164.6	-142.2	167.7	80.6	0	0	107.9	C659 S704 V708 A710	C659-M706 VanDerWaalsContact SG-CE 3.57Å; S704-M706 PolarHBondContact O-N 3.06Å; M706-V708 PolarHBondContact O-N 3.17Å; M706-A710 HydrophobicContact CE-CB 3.94Å; M706-A710 HydrophobicContact CG-CB 4.22Å
707	D	57.9	Low	60.7	Low	108 Å²	108	80.6 Å²	80.6	58%	0.578	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.6	132.1	174.2	-174.8	-0.5	0	0	0	108.8	S709 A710	D707-S709 PolarHBondContact O-N 3.26Å; D707-S709 PolarHBondContact OD1-N 3.32Å; D707-S709 PolarHBondContact OD1-OG 3.49Å; D707-S709 WeakPolarHBondContact OD2-CB 3.33Å; D707-S709 PolarHBondContact OD2-OG 3.47Å; D707-A710 WeakPolarHBondContact O-CA 3.28Å; D707-A710 WeakPolarHBondContact O-CB 3.39Å; D707-A710 PolarHBondContact O-N 3.33Å
708	V	61.1	Low	63.2	Low	56 Å²	56	76.9 Å²	76.9	34%	0.339	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27.5	177.1	-171.3	0	0	0	0	110.6	E663 M706 A710 C711	E663-V708 HydrophobicContact CB-CG1 4.4Å; E663-V708 HydrophobicContact CB-CG2 3.99Å; M706-V708 PolarHBondContact O-N 3.17Å; V708-A710 PolarHBondContact O-N 3.06Å; V708-C711 WeakPolarHBondContact O-CB 3.34Å; V708-C711 PolarHBondContact O-N 2.66Å
709	S	64.8	Low	66	Low	94 Å²	94	75.7 Å²	75.7	66%	0.657	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-59.5	-23.4	172.8	79.9	0	0	0	0	113.7	D707	D707-S709 PolarHBondContact O-N 3.26Å; D707-S709 PolarHBondContact OD1-N 3.32Å; D707-S709 PolarHBondContact OD1-OG 3.49Å; D707-S709 WeakPolarHBondContact OD2-CB 3.33Å; D707-S709 PolarHBondContact OD2-OG 3.47Å
710	A	71.4	Confident	69	Low	55 Å²	55	71.4 Å²	71.4	46%	0.455	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-81	-21.7	174.8	0	0	0	0	0	113.1	M706 D707 V708 K712	M706-A710 HydrophobicContact CE-CB 3.94Å; M706-A710 HydrophobicContact CG-CB 4.22Å; D707-A710 WeakPolarHBondContact O-CA 3.28Å; D707-A710 WeakPolarHBondContact O-CB 3.39Å; D707-A710 PolarHBondContact O-N 3.33Å; V708-A710 PolarHBondContact O-N 3.06Å; A710-K712 PolarHBondContact O-N 2.58Å; A710-K712 VanDerWaalsContact O-N 3.12Å
711	C	81.3	Confident	71.7	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.047	42%	0.418	C	S	.	.			trans	-79.1	90.7	174.1	-66	0	0	0	0	110.2	C659 H660 V708 P713	C659-C711 HydrophobicContact CB-CB 3.69Å; C659-C711 WeakPolarHBondContact CB-SG 3.49Å; C659-C711 WeakPolarHBondContact SG-CB 3.33Å; C659-C711 CovalentContact SG-SG 2.04Å; C659-C711 PolarHBondContact SG-SG 2.89Å; H660-C711 HydrophobicContact CB-CB 4.16Å; V708-C711 WeakPolarHBondContact O-CB 3.34Å; V708-C711 PolarHBondContact O-N 2.66Å; C711-P713 VanDerWaalsContact O-CD 3.3Å; C711-P713 WeakPolarHBondContact O-CD 2.99Å
712	K	85.8	Confident	74.4	Confident	74 Å²	74	69.3 Å²	69.3	32%	0.322	41%	0.405	S	S	.	.			trans	-84.5	116.3	171.5	-164.3	173	-175	-175.6	0	110.4	A710 I717 E722 N726	A710-K712 PolarHBondContact O-N 2.58Å; A710-K712 VanDerWaalsContact O-N 3.12Å; K712-I717 HydrophobicContact CD-CD1 4.14Å; K712-I717 HydrophobicContact CD-CG1 3.63Å; K712-I717 HydrophobicContact CG-CD1 4.29Å; K712-I717 HydrophobicContact CG-CG1 3.94Å; K712-E722 IonicContact NZ-OE1 3.45Å; K712-E722 PolarHBondContact NZ-OE1 2.94Å; K712-E722 IonicContact NZ-OE2 3.02Å; K712-E722 PolarHBondContact NZ-OE2 2.99Å; K712-N726 PolarHBondContact O-ND2 3.08Å
713	P	89.7	Confident	77.2	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.065	36%	0.364	C	S	.	.			trans	-63.8	139.1	173.1	-20.4	33.6	0	0	0	111.1	L370 H660 C711 S715 L716	L370-P713 HydrophobicContact CD2-CB 4.09Å; L370-P713 HydrophobicContact CD2-CG 3.95Å; H660-P713 HydrophobicContact CB-CG 3.83Å; C711-P713 VanDerWaalsContact O-CD 3.3Å; C711-P713 WeakPolarHBondContact O-CD 2.99Å; P713-S715 PolarHBondContact O-N 3Å; P713-L716 HydrophobicContact CB-CG 4.47Å; P713-L716 HydrophobicContact CG-CD1 4.26Å; P713-L716 PolarHBondContact O-N 3.29Å
714	C	92	Very high	79.7	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.034	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-54	-39.9	-178.8	-58.8	0	0	0	0	112.1	L716 I717 C728 C737 D739	C714-L716 PolarHBondContact O-N 2.9Å; C714-I717 WeakPolarHBondContact O-CB 2.98Å; C714-I717 PolarHBondContact O-N 2.93Å; C714-C728 HydrophobicContact CB-CB 3.72Å; C714-C728 WeakPolarHBondContact CB-SG 3.28Å; C714-C728 WeakPolarHBondContact SG-CB 3.17Å; C714-C728 CovalentContact SG-SG 2.02Å; C714-C728 PolarHBondContact SG-SG 3.45Å; C714-C737 CarbonylContact C-O 3.46Å; C714-C737 VanDerWaalsContact C-O 3.28Å; C714-C737 VanDerWaalsContact O-CB 3.26Å; C714-C737 WeakPolarHBondContact O-CB 3.5Å; C714-C737 PolarHBondContact O-SG 2.81Å; C714-D739 PolarHBondContact SG-OD1 2.85Å
715	S	90.2	Very high	81.8	Confident	36 Å²	36	55.3 Å²	55.3	25%	0.252	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17.1	-178.9	69.4	0	0	0	0	114.9	P369 P713 C737	P369-S715 PolarHBondContact O-OG 3.45Å; P713-S715 PolarHBondContact O-N 3Å; S715-C737 PolarHBondContact N-O 2.03Å
716	L	90.8	Very high	83.6	Confident	105 Å²	105	56.4 Å²	56.4	55%	0.55	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-94.4	-5.2	177.6	-61.1	-173.2	0	0	0	112.7	L370 P713 C714	L370-L716 HydrophobicContact CD2-CD1 3.9Å; L370-L716 HydrophobicContact CD2-CD2 4.08Å; L370-L716 HydrophobicContact CD2-CG 3.9Å; P713-L716 HydrophobicContact CB-CG 4.47Å; P713-L716 HydrophobicContact CG-CD1 4.26Å; P713-L716 PolarHBondContact O-N 3.29Å; C714-L716 PolarHBondContact O-N 2.9Å
717	I	92.4	Very high	85.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.317	C	S	.	.			trans	-89.2	134	178.6	-60.3	172.3	0	0	0	109.6	K712 C714 T719 E722 C723 N726 C737	K712-I717 HydrophobicContact CD-CD1 4.14Å; K712-I717 HydrophobicContact CD-CG1 3.63Å; K712-I717 HydrophobicContact CG-CD1 4.29Å; K712-I717 HydrophobicContact CG-CG1 3.94Å; C714-I717 WeakPolarHBondContact O-CB 2.98Å; C714-I717 PolarHBondContact O-N 2.93Å; I717-T719 WeakPolarHBondContact CG2-O 3.2Å; I717-E722 HydrophobicContact CD1-CG 4.44Å; I717-E722 HydrophobicContact CG2-CB 3.82Å; I717-E722 HydrophobicContact CG2-CG 3.97Å; I717-C723 HydrophobicContact CG2-CB 3.82Å; I717-N726 HydrophobicContact CD1-CB 3.68Å; I717-C737 HydrophobicContact CB-CB 4.05Å; I717-C737 HydrophobicContact CG2-CB 4.42Å; I717-C737 WeakPolarHBondContact O-CB 3.49Å
718	S	91	Very high	86.8	Confident	76 Å²	76	48.4 Å²	48.4	53%	0.531	29%	0.29	S	S	.	.			trans	-116.8	2	-175.4	58.1	0	0	0	0	114.3	W730	S718-W730 WeakPolarHBondContact O-CH2 3.43Å
719	T	92.3	Very high	88.3	Confident	67 Å²	67	47.1 Å²	47.1	41%	0.411	28%	0.28	S	S	.	.	S	Bend	trans	-127.1	144.7	179.8	70.2	0	0	0	0	111.1	I717 E722 C723	I717-T719 WeakPolarHBondContact CG2-O 3.2Å; T719-E722 VanDerWaalsContact OG1-CB 3.23Å; T719-E722 WeakPolarHBondContact OG1-CB 3.06Å; T719-C723 WeakPolarHBondContact O-CB 3.03Å; T719-C723 PolarHBondContact O-N 3.03Å
720	C	92.9	Very high	89.6	Confident	14 Å²	14	43.6 Å²	43.6	10%	0.095	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-46.9	-178.8	-174.2	0	0	0	0	112.4	E722 C723 T724 W730 C762	C720-E722 PolarHBondContact O-N 3.29Å; C720-C723 WeakPolarHBondContact O-CB 3.22Å; C720-C723 PolarHBondContact O-N 3.17Å; C720-C723 VanDerWaalsContact O-N 3.16Å; C720-T724 WeakPolarHBondContact O-CG2 3.44Å; C720-T724 PolarHBondContact O-N 3.04Å; C720-T724 PolarHBondContact O-OG1 3.3Å; C720-W730 HydrophobicContact CB-CB 4.27Å; C720-W730 HydrophobicContact CB-CD2 3.78Å; C720-W730 HydrophobicContact CB-CG 3.59Å; C720-W730 VanDerWaalsContact SG-CG 3.53Å; C720-C762 HydrophobicContact CB-CB 3.63Å; C720-C762 WeakPolarHBondContact CB-SG 3.41Å; C720-C762 PolarHBondContact O-SG 3.47Å; C720-C762 VanDerWaalsContact O-SG 3.38Å; C720-C762 WeakPolarHBondContact SG-CA 3.42Å; C720-C762 WeakPolarHBondContact SG-CB 3.46Å; C720-C762 CovalentContact SG-SG 2.03Å; C720-C762 PolarHBondContact SG-SG 3.37Å
721	S	93	Very high	90.5	Very high	60 Å²	60	41 Å²	41	42%	0.42	23%	0.231	S	C	.	.	H	α-helix	trans	-65.9	-37.9	-174.9	-48.4	0	0	0	0	112.3	T724 K725	S721-T724 PolarHBondContact O-OG1 2.93Å; S721-K725 WeakPolarHBondContact O-CB 3.5Å; S721-K725 WeakPolarHBondContact O-CD 3.38Å; S721-K725 WeakPolarHBondContact O-CG 3.47Å; S721-K725 PolarHBondContact O-N 2.86Å
722	E	93.1	Very high	90.6	Very high	77 Å²	77	41.5 Å²	41.5	36%	0.36	24%	0.235	S	C	.	.	H	α-helix	trans	-70.8	-39.8	173.6	-170.6	-178.7	-161.6	0	0	111.1	K712 I717 T719 C720 K725 N726	K712-E722 IonicContact NZ-OE1 3.45Å; K712-E722 PolarHBondContact NZ-OE1 2.94Å; K712-E722 IonicContact NZ-OE2 3.02Å; K712-E722 PolarHBondContact NZ-OE2 2.99Å; I717-E722 HydrophobicContact CD1-CG 4.44Å; I717-E722 HydrophobicContact CG2-CB 3.82Å; I717-E722 HydrophobicContact CG2-CG 3.97Å; T719-E722 VanDerWaalsContact OG1-CB 3.23Å; T719-E722 WeakPolarHBondContact OG1-CB 3.06Å; C720-E722 PolarHBondContact O-N 3.29Å; E722-K725 PolarHBondContact O-N 3.39Å; E722-N726 WeakPolarHBondContact O-CB 2.99Å; E722-N726 PolarHBondContact O-N 3.26Å
723	C	94.1	Very high	90.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-51.6	-178.4	-178	0	0	0	0	111.8	I717 T719 C720 N726 C728 F729 W730 C737	I717-C723 HydrophobicContact CG2-CB 3.82Å; T719-C723 WeakPolarHBondContact O-CB 3.03Å; T719-C723 PolarHBondContact O-N 3.03Å; C720-C723 WeakPolarHBondContact O-CB 3.22Å; C720-C723 PolarHBondContact O-N 3.17Å; C720-C723 VanDerWaalsContact O-N 3.16Å; C723-N726 PolarHBondContact O-N 3.06Å; C723-C728 VanDerWaalsContact O-CB 3.28Å; C723-C728 WeakPolarHBondContact O-CB 3.39Å; C723-C728 PolarHBondContact O-N 3.19Å; C723-C728 WeakPolarHBondContact SG-CB 3.49Å; C723-F729 PolarHBondContact SG-O 3.45Å; C723-W730 HydrophobicContact CB-CB 4.28Å; C723-W730 HydrophobicContact CB-CE3 3.92Å; C723-C737 VanDerWaalsContact CA-SG 3.57Å; C723-C737 HydrophobicContact CB-CB 3.8Å; C723-C737 WeakPolarHBondContact CB-SG 3.43Å; C723-C737 VanDerWaalsContact SG-CA 3.57Å; C723-C737 WeakPolarHBondContact SG-CB 3.27Å; C723-C737 CovalentContact SG-SG 2.03Å; C723-C737 PolarHBondContact SG-SG 2.86Å
724	T	92.4	Very high	90	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-38.3	-179.2	51.4	0	0	0	0	112.2	C720 S721 N726 G727 W730 T756 T759	C720-T724 WeakPolarHBondContact O-CG2 3.44Å; C720-T724 PolarHBondContact O-N 3.04Å; C720-T724 PolarHBondContact O-OG1 3.3Å; S721-T724 PolarHBondContact O-OG1 2.93Å; T724-N726 PolarHBondContact O-N 3.04Å; T724-G727 PolarHBondContact O-N 2.65Å; T724-W730 HydrophobicContact CG2-CB 4.48Å; T724-T756 HydrophobicContact CG2-CG2 4.11Å; T724-T759 WeakPolarHBondContact CB-OG1 3.28Å; T724-T759 VanDerWaalsContact OG1-CA 3.23Å; T724-T759 WeakPolarHBondContact OG1-CA 3.48Å; T724-T759 WeakPolarHBondContact OG1-CB 3.39Å; T724-T759 PolarHBondContact OG1-OG1 2.81Å
725	K	89.6	Confident	89.8	Confident	159 Å²	159	45.6 Å²	45.6	69%	0.691	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-31.1	172.5	-76.1	177.7	-176.2	-174.4	0	112.9	S721 E722 G727 T759	S721-K725 WeakPolarHBondContact O-CB 3.5Å; S721-K725 WeakPolarHBondContact O-CD 3.38Å; S721-K725 WeakPolarHBondContact O-CG 3.47Å; S721-K725 PolarHBondContact O-N 2.86Å; E722-K725 PolarHBondContact O-N 3.39Å; K725-G727 PolarHBondContact O-N 3.49Å; K725-T759 HydrophobicContact CG-CG2 4.13Å
726	N	87.9	Confident	89.7	Confident	71 Å²	71	44.8 Å²	44.8	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	7.8	176.1	-161.1	61	0	0	0	113.1	K712 I717 E722 C723 T724 C728	K712-N726 PolarHBondContact O-ND2 3.08Å; I717-N726 HydrophobicContact CD1-CB 3.68Å; E722-N726 WeakPolarHBondContact O-CB 2.99Å; E722-N726 PolarHBondContact O-N 3.26Å; C723-N726 PolarHBondContact O-N 3.06Å; T724-N726 PolarHBondContact O-N 3.04Å; N726-C728 VanDerWaalsContact C-N 3.29Å; N726-C728 PolarHBondContact ND2-SG 3.33Å; N726-C728 VanDerWaalsContact ND2-SG 3.38Å; N726-C728 PolarHBondContact O-N 2.98Å
727	G	85.7	Confident	89.8	Confident	41 Å²	41	39.9 Å²	39.9	42%	0.423	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.1	-179.3	0	0	0	0	0	114.2	T724 K725 Q740	T724-G727 PolarHBondContact O-N 2.65Å; K725-G727 PolarHBondContact O-N 3.49Å; G727-Q740 WeakPolarHBondContact O-CG 3.45Å; G727-Q740 PolarHBondContact O-NE2 2.8Å
728	C	92.1	Very high	89.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-96.4	169.9	178.4	-50.4	0	0	0	0	111.5	C714 C723 N726 C737 F738	C714-C728 HydrophobicContact CB-CB 3.72Å; C714-C728 WeakPolarHBondContact CB-SG 3.28Å; C714-C728 WeakPolarHBondContact SG-CB 3.17Å; C714-C728 CovalentContact SG-SG 2.02Å; C714-C728 PolarHBondContact SG-SG 3.45Å; C723-C728 VanDerWaalsContact O-CB 3.28Å; C723-C728 WeakPolarHBondContact O-CB 3.39Å; C723-C728 PolarHBondContact O-N 3.19Å; C723-C728 WeakPolarHBondContact SG-CB 3.49Å; N726-C728 VanDerWaalsContact C-N 3.29Å; N726-C728 PolarHBondContact ND2-SG 3.33Å; N726-C728 VanDerWaalsContact ND2-SG 3.38Å; N726-C728 PolarHBondContact O-N 2.98Å; C728-C737 WeakPolarHBondContact CB-SG 3.47Å; C728-F738 WeakPolarHBondContact CB-O 3.13Å
729	F	91.7	Very high	89.8	Confident	28 Å²	28	37.9 Å²	37.9	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.3	168.5	-69.3	-39.5	0	0	0	111.8	C723 C737 F738 Q740 L743 W755 T756	C723-F729 PolarHBondContact SG-O 3.45Å; F729-C737 WeakPolarHBondContact O-CA 3Å; F729-F738 HydrophobicContact CB-CD2 4.24Å; F729-F738 HydrophobicContact CB-CE1 4.24Å; F729-F738 HydrophobicContact CB-CE2 3.61Å; F729-F738 HydrophobicContact CB-CZ 3.62Å; F729-F738 AromaticContact CD2-CE2 3.99Å; F729-F738 HydrophobicContact CD2-CE2 3.99Å; F729-F738 HydrophobicContact CG-CE2 4.31Å; F729-F738 PolarHBondContact N-O 3.41Å; F729-F738 PolarHBondContact O-N 2.92Å; F729-Q740 HydrophobicContact CD1-CG 4.27Å; F729-Q740 HydrophobicContact CD2-CB 4.03Å; F729-Q740 HydrophobicContact CD2-CG 3.89Å; F729-Q740 HydrophobicContact CE1-CG 4Å; F729-Q740 HydrophobicContact CE2-CB 3.61Å; F729-Q740 HydrophobicContact CE2-CG 3.61Å; F729-Q740 HydrophobicContact CG-CG 4.21Å; F729-Q740 HydrophobicContact CZ-CB 4.07Å; F729-Q740 HydrophobicContact CZ-CG 3.67Å; F729-L743 HydrophobicContact CD2-CB 4.43Å; F729-L743 HydrophobicContact CD2-CD1 3.93Å; F729-L743 HydrophobicContact CD2-CD2 4.46Å; F729-L743 HydrophobicContact CE2-CD1 4.37Å; F729-L743 HydrophobicContact CE2-CD2 4.09Å; F729-W755 AromaticContact CD1-CE3 3.87Å; F729-W755 HydrophobicContact CD1-CE3 3.87Å; F729-W755 AromaticContact CD1-CZ3 3.8Å; F729-W755 HydrophobicContact CD1-CZ3 3.8Å; F729-W755 HydrophobicContact CE1-CE3 4.16Å; F729-W755 AromaticContact CE1-CZ3 3.59Å; F729-W755 HydrophobicContact CE1-CZ3 3.59Å; F729-W755 HydrophobicContact CE2-CZ3 4.35Å; F729-W755 HydrophobicContact CG-CE3 4.1Å; F729-W755 HydrophobicContact CG-CZ3 4.3Å; F729-W755 AromaticContact CZ-CZ3 3.89Å; F729-W755 HydrophobicContact CZ-CZ3 3.89Å; F729-T756 WeakPolarHBondContact CA-O 3.12Å
730	W	92.2	Very high	89.6	Confident	21 Å²	21	37.2 Å²	37.2	8%	0.08	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	174.3	179	-101.3	0	0	0	110.5	S718 C720 C723 T724 Q735 C737 W755 T756	S718-W730 WeakPolarHBondContact O-CH2 3.43Å; C720-W730 HydrophobicContact CB-CB 4.27Å; C720-W730 HydrophobicContact CB-CD2 3.78Å; C720-W730 HydrophobicContact CB-CG 3.59Å; C720-W730 VanDerWaalsContact SG-CG 3.53Å; C723-W730 HydrophobicContact CB-CB 4.28Å; C723-W730 HydrophobicContact CB-CE3 3.92Å; T724-W730 HydrophobicContact CG2-CB 4.48Å; W730-Q735 HydrophobicContact CH2-CB 4.39Å; W730-Q735 HydrophobicContact CZ2-CB 4.2Å; W730-C737 HydrophobicContact CE3-CB 3.9Å; W730-C737 HydrophobicContact CZ3-CB 4.13Å; W730-W755 CarbonylContact O-C 3.3Å; W730-W755 WeakPolarHBondContact O-CA 3.39Å; W730-W755 WeakPolarHBondContact O-CB 3.04Å; W730-T756 HydrophobicContact CB-CG2 4.38Å; W730-T756 PolarHBondContact N-O 3.27Å; W730-T756 PolarHBondContact O-N 3.48Å
731	C	89.5	Confident	89.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.9	169.1	-174.7	0	0	0	0	111.6	T734 Q735 D736 F738 C752	C731-T734 VanDerWaalsContact CB-OG1 3.24Å; C731-T734 WeakPolarHBondContact CB-OG1 3.26Å; C731-T734 PolarHBondContact SG-OG1 2.91Å; C731-Q735 WeakPolarHBondContact O-CA 3.41Å; C731-Q735 PolarHBondContact O-N 2.9Å; C731-D736 PolarHBondContact N-O 3.47Å; C731-D736 PolarHBondContact O-N 2.04Å; C731-F738 HydrophobicContact CB-CE1 4.08Å; C731-C752 HydrophobicContact CB-CB 3.99Å; C731-C752 WeakPolarHBondContact CB-SG 3.49Å; C731-C752 WeakPolarHBondContact SG-CA 3.12Å; C731-C752 WeakPolarHBondContact SG-CB 3.22Å; C731-C752 CovalentContact SG-SG 2.02Å; C731-C752 PolarHBondContact SG-SG 3.35Å
732	A	83.7	Confident	89.2	Confident	17 Å²	17	34 Å²	34	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.1	178.8	0	0	0	0	0	112.6	Q754 L765	A732-Q754 HydrophobicContact CB-CB 4.3Å; A732-Q754 PolarHBondContact N-O 3.03Å; A732-L765 HydrophobicContact CB-CB 4.07Å; A732-L765 HydrophobicContact CB-CD1 4.22Å; A732-L765 HydrophobicContact CB-CD2 4.07Å; A732-L765 HydrophobicContact CB-CG 4.34Å
733	T	81.7	Confident	88.7	Confident	49 Å²	49	31.8 Å²	31.8	30%	0.301	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-44.1	-176.5	-43.2	0	0	0	0	112.5	I753	T733-I753 HydrophobicContact CG2-CD1 3.98Å; T733-I753 HydrophobicContact CG2-CG1 4.23Å; T733-I753 WeakPolarHBondContact OG1-CB 3.38Å; T733-I753 PolarHBondContact OG1-N 3.18Å
734	T	82.9	Confident	87.8	Confident	31 Å²	31	33.2 Å²	33.2	19%	0.19	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.7	179.6	59.9	0	0	0	0	113	M316 C731 D736 Q751	M316-T734 HydrophobicContact CB-CG2 4.23Å; C731-T734 VanDerWaalsContact CB-OG1 3.24Å; C731-T734 WeakPolarHBondContact CB-OG1 3.26Å; C731-T734 PolarHBondContact SG-OG1 2.91Å; T734-D736 VanDerWaalsContact C-N 3.31Å; T734-D736 PolarHBondContact O-N 3.13Å; T734-Q751 HydrophobicContact CG2-CB 4.47Å
735	Q	86.2	Confident	87.2	Confident	96 Å²	96	33.7 Å²	33.7	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	49.5	-175.6	-58.2	-171.1	-54.6	0	0	112.2	R317 W730 C731	R317-Q735 PolarHBondContact NE-O 3.18Å; R317-Q735 PolarHBondContact NH1-O 2.93Å; W730-Q735 HydrophobicContact CH2-CB 4.39Å; W730-Q735 HydrophobicContact CZ2-CB 4.2Å; C731-Q735 WeakPolarHBondContact O-CA 3.41Å; C731-Q735 PolarHBondContact O-N 2.9Å
736	D	89.2	Confident	86.5	Confident	19 Å²	19	27.2 Å²	27.2	10%	0.102	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.4	-173.5	-165.8	34.1	0	0	0	112.5	R317 C731 T734	R317-D736 HydrophobicContact CG-CB 4.25Å; R317-D736 WeakPolarHBondContact CG-OD1 3.12Å; R317-D736 IonicContact NE-OD1 3.57Å; R317-D736 PolarHBondContact NE-OD1 2.87Å; C731-D736 PolarHBondContact N-O 3.47Å; C731-D736 PolarHBondContact O-N 2.04Å; T734-D736 VanDerWaalsContact C-N 3.31Å; T734-D736 PolarHBondContact O-N 3.13Å
737	C	93.1	Very high	85.9	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.4	-180	-175.5	0	0	0	0	110.1	C714 S715 I717 C723 C728 F729 W730	C714-C737 CarbonylContact C-O 3.46Å; C714-C737 VanDerWaalsContact C-O 3.28Å; C714-C737 VanDerWaalsContact O-CB 3.26Å; C714-C737 WeakPolarHBondContact O-CB 3.5Å; C714-C737 PolarHBondContact O-SG 2.81Å; S715-C737 PolarHBondContact N-O 2.03Å; I717-C737 HydrophobicContact CB-CB 4.05Å; I717-C737 HydrophobicContact CG2-CB 4.42Å; I717-C737 WeakPolarHBondContact O-CB 3.49Å; C723-C737 VanDerWaalsContact CA-SG 3.57Å; C723-C737 HydrophobicContact CB-CB 3.8Å; C723-C737 WeakPolarHBondContact CB-SG 3.43Å; C723-C737 VanDerWaalsContact SG-CA 3.57Å; C723-C737 WeakPolarHBondContact SG-CB 3.27Å; C723-C737 CovalentContact SG-SG 2.03Å; C723-C737 PolarHBondContact SG-SG 2.86Å; C728-C737 WeakPolarHBondContact CB-SG 3.47Å; F729-C737 WeakPolarHBondContact O-CA 3Å; W730-C737 HydrophobicContact CE3-CB 3.9Å; W730-C737 HydrophobicContact CZ3-CB 4.13Å
738	F	91.7	Very high	85.7	Confident	14 Å²	14	23.2 Å²	23.2	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.4	-174.9	57.9	-88.4	0	0	0	112.3	C728 F729 C731 A742 L743 S746	C728-F738 WeakPolarHBondContact CB-O 3.13Å; F729-F738 HydrophobicContact CB-CD2 4.24Å; F729-F738 HydrophobicContact CB-CE1 4.24Å; F729-F738 HydrophobicContact CB-CE2 3.61Å; F729-F738 HydrophobicContact CB-CZ 3.62Å; F729-F738 AromaticContact CD2-CE2 3.99Å; F729-F738 HydrophobicContact CD2-CE2 3.99Å; F729-F738 HydrophobicContact CG-CE2 4.31Å; F729-F738 PolarHBondContact N-O 3.41Å; F729-F738 PolarHBondContact O-N 2.92Å; C731-F738 HydrophobicContact CB-CE1 4.08Å; F738-A742 HydrophobicContact CD2-CB 4.48Å; F738-L743 HydrophobicContact CE2-CB 4.25Å; F738-L743 HydrophobicContact CE2-CD1 3.64Å; F738-L743 HydrophobicContact CZ-CD1 3.82Å; F738-S746 WeakPolarHBondContact CD1-OG 3.4Å; F738-S746 WeakPolarHBondContact CD2-OG 3.08Å; F738-S746 WeakPolarHBondContact CG-OG 3.4Å
739	D	90.8	Very high	85.3	Confident	21 Å²	21	23.1 Å²	23.1	11%	0.112	12%	0.124	C	C	.	.			trans	-60.7	145	177.9	-66.1	-56	0	0	0	111.1	C714 N741 A742	C714-D739 PolarHBondContact SG-OD1 2.85Å; D739-N741 VanDerWaalsContact C-N 3.3Å; D739-N741 WeakPolarHBondContact CB-OD1 3.08Å; D739-N741 PolarHBondContact O-N 2.87Å; D739-A742 HydrophobicContact CB-CB 4.2Å; D739-A742 WeakPolarHBondContact O-CA 3.3Å; D739-A742 WeakPolarHBondContact O-CB 3.46Å; D739-A742 PolarHBondContact O-N 3.33Å
740	Q	89	Confident	84.8	Confident	53 Å²	53	21.9 Å²	21.9	25%	0.248	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.8	-39.6	-178.2	-66.5	-173.4	13.6	0	0	113	G727 F729 A742 L743	G727-Q740 WeakPolarHBondContact O-CG 3.45Å; G727-Q740 PolarHBondContact O-NE2 2.8Å; F729-Q740 HydrophobicContact CD1-CG 4.27Å; F729-Q740 HydrophobicContact CD2-CB 4.03Å; F729-Q740 HydrophobicContact CD2-CG 3.89Å; F729-Q740 HydrophobicContact CE1-CG 4Å; F729-Q740 HydrophobicContact CE2-CB 3.61Å; F729-Q740 HydrophobicContact CE2-CG 3.61Å; F729-Q740 HydrophobicContact CG-CG 4.21Å; F729-Q740 HydrophobicContact CZ-CB 4.07Å; F729-Q740 HydrophobicContact CZ-CG 3.67Å; Q740-A742 PolarHBondContact O-N 3.4Å; Q740-L743 WeakPolarHBondContact O-CB 3.2Å; Q740-L743 PolarHBondContact O-N 3.25Å
741	N	88.9	Confident	84.4	Confident	5 Å²	5	21.1 Å²	21.1	3%	0.027	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.3	175	64.2	25.1	0	0	0	114.2	F420 A422 S424 S425 T427 Y657 D739	F420-N741 WeakPolarHBondContact CE1-O 3.4Å; A422-N741 HydrophobicContact CB-CB 4.01Å; A422-N741 WeakPolarHBondContact CB-ND2 3.35Å; S424-N741 PolarHBondContact O-ND2 2.9Å; S425-N741 PolarHBondContact O-ND2 3.24Å; T427-N741 WeakPolarHBondContact O-CB 3.37Å; Y657-N741 WeakPolarHBondContact CB-ND2 3.1Å; D739-N741 VanDerWaalsContact C-N 3.3Å; D739-N741 WeakPolarHBondContact CB-OD1 3.08Å; D739-N741 PolarHBondContact O-N 2.87Å
742	A	88.1	Confident	84.2	Confident	2 Å²	2	21.1 Å²	21.1	2%	0.017	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-96.5	6.1	177.6	0	0	0	0	0	113	F367 F738 D739 Q740 V744 L745	F367-A742 HydrophobicContact CE2-CB 3.97Å; F367-A742 HydrophobicContact CZ-CB 3.92Å; F738-A742 HydrophobicContact CD2-CB 4.48Å; D739-A742 HydrophobicContact CB-CB 4.2Å; D739-A742 WeakPolarHBondContact O-CA 3.3Å; D739-A742 WeakPolarHBondContact O-CB 3.46Å; D739-A742 PolarHBondContact O-N 3.33Å; Q740-A742 PolarHBondContact O-N 3.4Å; A742-V744 VanDerWaalsContact C-N 3.27Å; A742-V744 PolarHBondContact O-N 3.3Å; A742-V744 VanDerWaalsContact O-N 3.16Å; A742-L745 HydrophobicContact CB-CD1 3.92Å; A742-L745 HydrophobicContact CB-CG 4.35Å; A742-L745 WeakPolarHBondContact O-CB 3.33Å; A742-L745 WeakPolarHBondContact O-CG 3.49Å; A742-L745 PolarHBondContact O-N 3.09Å
743	L	82.8	Confident	84.1	Confident	29 Å²	29	20.5 Å²	20.5	15%	0.152	11%	0.11	C	C	.	.	H	α-helix	trans	-52.8	-39.7	-175.3	-175	63.4	0	0	0	114.4	L105 F729 F738 Q740 L745 S746 H747 W755	L105-L743 HydrophobicContact CD2-CD2 3.49Å; L105-L743 VanDerWaalsContact CD2-CD2 3.49Å; L105-L743 HydrophobicContact CD2-CG 4.22Å; F729-L743 HydrophobicContact CD2-CB 4.43Å; F729-L743 HydrophobicContact CD2-CD1 3.93Å; F729-L743 HydrophobicContact CD2-CD2 4.46Å; F729-L743 HydrophobicContact CE2-CD1 4.37Å; F729-L743 HydrophobicContact CE2-CD2 4.09Å; F738-L743 HydrophobicContact CE2-CB 4.25Å; F738-L743 HydrophobicContact CE2-CD1 3.64Å; F738-L743 HydrophobicContact CZ-CD1 3.82Å; Q740-L743 WeakPolarHBondContact O-CB 3.2Å; Q740-L743 PolarHBondContact O-N 3.25Å; L743-L745 PolarHBondContact O-N 3.04Å; L743-S746 PolarHBondContact O-N 3.3Å; L743-H747 WeakPolarHBondContact CD1-CE1 3.38Å; L743-H747 WeakPolarHBondContact CD1-ND1 3.3Å; L743-H747 PolarHBondContact O-N 3.15Å; L743-H747 PolarHBondContact O-ND1 3.15Å; L743-W755 HydrophobicContact CD1-CD2 4.44Å
744	V	75.7	Confident	84	Confident	30 Å²	30	18.4 Å²	18.4	18%	0.182	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-28.1	178.9	80.9	0	0	0	0	112.4	F420 F455 A742 S748	F420-V744 HydrophobicContact CD1-CG1 3.66Å; F420-V744 HydrophobicContact CD2-CG1 3.8Å; F420-V744 HydrophobicContact CE1-CG1 3.61Å; F420-V744 HydrophobicContact CE2-CB 4.24Å; F420-V744 HydrophobicContact CE2-CG1 3.75Å; F420-V744 HydrophobicContact CG-CG1 3.75Å; F420-V744 HydrophobicContact CZ-CB 4.21Å; F420-V744 HydrophobicContact CZ-CG1 3.64Å; F455-V744 HydrophobicContact CE1-CG2 4.01Å; F455-V744 HydrophobicContact CZ-CG1 4.35Å; A742-V744 VanDerWaalsContact C-N 3.27Å; A742-V744 PolarHBondContact O-N 3.3Å; A742-V744 VanDerWaalsContact O-N 3.16Å; V744-S748 PolarHBondContact O-N 3.36Å; V744-S748 PolarHBondContact O-OG 3.25Å
745	L	78.3	Confident	84	Confident	19 Å²	19	19.6 Å²	19.6	10%	0.099	10%	0.098	C	C	.	.	H	α-helix	trans	-69.1	-43	179.3	-51.2	-176.5	0	0	0	110.4	F367 F373 Y401 A742 L743 H747	F367-L745 HydrophobicContact CB-CD1 4.35Å; F367-L745 HydrophobicContact CD1-CD1 4.2Å; F367-L745 HydrophobicContact CD2-CD1 3.45Å; F367-L745 VanDerWaalsContact CD2-CD1 3.45Å; F367-L745 HydrophobicContact CE1-CD1 4.37Å; F367-L745 HydrophobicContact CE2-CD1 3.65Å; F367-L745 HydrophobicContact CG-CD1 3.75Å; F367-L745 HydrophobicContact CZ-CD1 4.12Å; F373-L745 HydrophobicContact CE1-CD1 4.29Å; F373-L745 HydrophobicContact CZ-CD1 4.09Å; Y401-L745 HydrophobicContact CD1-CD2 3.04Å; Y401-L745 HydrophobicContact CD1-CG 4.49Å; Y401-L745 HydrophobicContact CD2-CD2 3.99Å; Y401-L745 HydrophobicContact CE1-CD2 3.26Å; Y401-L745 HydrophobicContact CE2-CD2 4.09Å; Y401-L745 HydrophobicContact CG-CD2 3.49Å; Y401-L745 VanDerWaalsContact CG-CD2 3.49Å; A742-L745 HydrophobicContact CB-CD1 3.92Å; A742-L745 HydrophobicContact CB-CG 4.35Å; A742-L745 WeakPolarHBondContact O-CB 3.33Å; A742-L745 WeakPolarHBondContact O-CG 3.49Å; A742-L745 PolarHBondContact O-N 3.09Å; L743-L745 PolarHBondContact O-N 3.04Å; L745-H747 VanDerWaalsContact C-N 3.3Å; L745-H747 PolarHBondContact O-N 3.01Å
746	S	75.2	Confident	84	Confident	23 Å²	23	15.1 Å²	15.1	16%	0.161	8%	0.077	C	C	.	.	H	α-helix	trans	-73.2	-19.8	-179.8	-55.9	0	0	0	0	113.7	F738 L743 Q751	F738-S746 WeakPolarHBondContact CD1-OG 3.4Å; F738-S746 WeakPolarHBondContact CD2-OG 3.08Å; F738-S746 WeakPolarHBondContact CG-OG 3.4Å; L743-S746 PolarHBondContact O-N 3.3Å; S746-Q751 PolarHBondContact O-OE1 2.85Å
747	H	76	Confident	83.9	Confident	20 Å²	20	15.8 Å²	15.8	9%	0.093	9%	0.088	C	C	.	.	H	α-helix	trans	-114.7	4.3	-176.5	-64.3	83	0	0	0	114.2	L743 L745 Y749 G750 C752 W755	L743-H747 WeakPolarHBondContact CD1-CE1 3.38Å; L743-H747 WeakPolarHBondContact CD1-ND1 3.3Å; L743-H747 PolarHBondContact O-N 3.15Å; L743-H747 PolarHBondContact O-ND1 3.15Å; L745-H747 VanDerWaalsContact C-N 3.3Å; L745-H747 PolarHBondContact O-N 3.01Å; H747-Y749 PolarHBondContact O-N 2.04Å; H747-G750 PolarHBondContact O-N 3.39Å; H747-C752 PolarHBondContact CD2-O 3.42Å; H747-C752 VanDerWaalsContact CD2-O 3.26Å; H747-C752 WeakPolarHBondContact NE2-CB 3.28Å; H747-W755 AromaticContact CE1-CD1 3.72Å; H747-W755 AromaticContact NE2-CD1 3.23Å; H747-W755 AromaticContact NE2-CG 3.97Å; H747-W755 AromaticContact NE2-NE1 3.87Å
748	S	81.1	Confident	83.5	Confident	8 Å²	8	19 Å²	19	6%	0.056	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.6	-173.5	-70.3	0	0	0	0	113.7	Y515 V744	Y515-S748 WeakPolarHBondContact CE2-O 3.38Å; Y515-S748 VanDerWaalsContact CZ-O 3.3Å; Y515-S748 PolarHBondContact OH-O 3.2Å; V744-S748 PolarHBondContact O-N 3.36Å; V744-S748 PolarHBondContact O-OG 3.25Å
749	Y	84.2	Confident	83.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	15.1	175.7	-52	-59.7	0	0	0	112.7	S123 A246 S247 Y263 Y296 Y515 F532 H747	S123-Y749 WeakPolarHBondContact CB-O 3.44Å; S123-Y749 PolarHBondContact OG-O 2.73Å; A246-Y749 HydrophobicContact CB-CD1 4.38Å; A246-Y749 HydrophobicContact CB-CE1 3.67Å; A246-Y749 HydrophobicContact CB-CE2 4.43Å; S247-Y749 WeakPolarHBondContact CB-OH 3.45Å; S247-Y749 PolarHBondContact OG-OH 3.04Å; Y263-Y749 HydrophobicContact CD1-CD1 4.49Å; Y263-Y749 AromaticContact CD1-CD2 3.45Å; Y263-Y749 HydrophobicContact CD1-CD2 3.45Å; Y263-Y749 VanDerWaalsContact CD1-CD2 3.45Å; Y263-Y749 HydrophobicContact CD1-CE2 4.31Å; Y263-Y749 AromaticContact CD1-CG 3.58Å; Y263-Y749 HydrophobicContact CD1-CG 3.58Å; Y263-Y749 HydrophobicContact CD2-CD2 4.4Å; Y263-Y749 HydrophobicContact CE1-CD2 4.13Å; Y263-Y749 AromaticContact CE1-CG 3.97Å; Y263-Y749 HydrophobicContact CE1-CG 3.97Å; Y263-Y749 AromaticContact CG-CD2 3.62Å; Y263-Y749 HydrophobicContact CG-CD2 3.62Å; Y263-Y749 HydrophobicContact CG-CE2 4.24Å; Y263-Y749 HydrophobicContact CG-CG 4.23Å; Y296-Y749 HydrophobicContact CD2-CE2 4.48Å; Y296-Y749 HydrophobicContact CE2-CE2 4.42Å; Y515-Y749 AromaticContact CD2-CE1 3.96Å; Y515-Y749 HydrophobicContact CD2-CE1 3.96Å; Y515-Y749 AromaticContact CE2-CD1 3.84Å; Y515-Y749 HydrophobicContact CE2-CD1 3.84Å; Y515-Y749 AromaticContact CE2-CE1 3.5Å; Y515-Y749 HydrophobicContact CE2-CE1 3.5Å; F532-Y749 HydrophobicContact CB-CD1 3.81Å; F532-Y749 HydrophobicContact CB-CE1 3.68Å; F532-Y749 AromaticContact CD1-CD1 3.81Å; F532-Y749 HydrophobicContact CD1-CD1 3.81Å; F532-Y749 HydrophobicContact CD1-CE1 4.36Å; F532-Y749 AromaticContact CD2-CD1 3.81Å; F532-Y749 HydrophobicContact CD2-CD1 3.81Å; F532-Y749 HydrophobicContact CD2-CE1 4.5Å; F532-Y749 HydrophobicContact CE1-CD1 4.23Å; F532-Y749 HydrophobicContact CE2-CD1 4.24Å; F532-Y749 AromaticContact CG-CD1 3.54Å; F532-Y749 HydrophobicContact CG-CD1 3.54Å; F532-Y749 AromaticContact CG-CE1 3.96Å; F532-Y749 HydrophobicContact CG-CE1 3.96Å; F532-Y749 HydrophobicContact CZ-CD1 4.41Å; H747-Y749 PolarHBondContact O-N 2.04Å
750	G	81.2	Confident	83	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	70.9	32.1	-177.1	0	0	0	0	0	113.8	H109 R120 S123 V125 H747 C752	H109-G750 PolarHBondContact CE1-O 3.5Å; R120-G750 PolarHBondContact NH1-O 3.04Å; S123-G750 WeakPolarHBondContact OG-CA 3.28Å; V125-G750 VanDerWaalsContact CG2-CA 3.43Å; H747-G750 PolarHBondContact O-N 3.39Å; G750-C752 VanDerWaalsContact C-N 3.33Å
751	Q	84.1	Confident	82.8	Confident	5 Å²	5	26.9 Å²	26.9	2%	0.023	15%	0.145	C	C	.	.			trans	-68.2	-37.4	-175	-51	99.2	-57.1	0	0	111.5	Y263 Y296 M316 T734 S746	Y263-Q751 HydrophobicContact CD2-CG 4.37Å; Y263-Q751 HydrophobicContact CE1-CG 4.23Å; Y263-Q751 HydrophobicContact CE2-CG 3.55Å; Y263-Q751 VanDerWaalsContact CZ-CG 3.46Å; Y263-Q751 WeakPolarHBondContact OH-CG 3.34Å; Y296-Q751 PolarHBondContact OH-NE2 3.33Å; M316-Q751 HydrophobicContact CE-CB 3.32Å; M316-Q751 HydrophobicContact CE-CG 3.3Å; M316-Q751 HydrophobicContact SD-CB 4.39Å; M316-Q751 HydrophobicContact SD-CG 4.07Å; T734-Q751 HydrophobicContact CG2-CB 4.47Å; S746-Q751 PolarHBondContact O-OE1 2.85Å
752	C	84.8	Confident	82.8	Confident	1 Å²	1	27 Å²	27	1%	0.007	15%	0.146	C	C	.	.			trans	-85.7	117.5	166.6	-168.3	0	0	0	0	110.8	C731 H747 G750 Q754	C731-C752 HydrophobicContact CB-CB 3.99Å; C731-C752 WeakPolarHBondContact CB-SG 3.49Å; C731-C752 WeakPolarHBondContact SG-CA 3.12Å; C731-C752 WeakPolarHBondContact SG-CB 3.22Å; C731-C752 CovalentContact SG-SG 2.02Å; C731-C752 PolarHBondContact SG-SG 3.35Å; H747-C752 PolarHBondContact CD2-O 3.42Å; H747-C752 VanDerWaalsContact CD2-O 3.26Å; H747-C752 WeakPolarHBondContact NE2-CB 3.28Å; G750-C752 VanDerWaalsContact C-N 3.33Å; C752-Q754 PolarHBondContact SG-O 2.87Å
753	I	81.3	Confident	82.6	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.015	17%	0.168	C	C	.	.	S	Bend	trans	-94	-29.7	179.4	-59.3	167.3	0	0	0	110.6	F111 Y149 T733	F111-I753 HydrophobicContact CE1-CD1 4.45Å; F111-I753 HydrophobicContact CZ-CD1 3.77Å; Y149-I753 HydrophobicContact CD1-CG2 3.59Å; Y149-I753 HydrophobicContact CE1-CG2 3.31Å; T733-I753 HydrophobicContact CG2-CD1 3.98Å; T733-I753 HydrophobicContact CG2-CG1 4.23Å; T733-I753 WeakPolarHBondContact OG1-CB 3.38Å; T733-I753 PolarHBondContact OG1-N 3.18Å
754	Q	79.2	Confident	82.4	Confident	5 Å²	5	33.1 Å²	33.1	2%	0.023	18%	0.184	C	C	.	.			trans	-138.1	126.7	-180	-69	-179.9	-34.5	0	0	110	A732 C752 L765 A779	A732-Q754 HydrophobicContact CB-CB 4.3Å; A732-Q754 PolarHBondContact N-O 3.03Å; C752-Q754 PolarHBondContact SG-O 2.87Å; Q754-L765 HydrophobicContact CB-CD2 4.26Å; Q754-A779 PolarHBondContact NE2-O 3.12Å
755	W	83.2	Confident	82.7	Confident	56 Å²	56	32.5 Å²	32.5	21%	0.212	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.8	176.5	63.1	-87.4	0	0	0	111	L105 F729 W730 L743 H747	L105-W755 HydrophobicContact CD1-CZ2 4.01Å; L105-W755 HydrophobicContact CD2-CZ2 3.98Å; L105-W755 HydrophobicContact CG-CZ2 4.45Å; F729-W755 AromaticContact CD1-CE3 3.87Å; F729-W755 HydrophobicContact CD1-CE3 3.87Å; F729-W755 AromaticContact CD1-CZ3 3.8Å; F729-W755 HydrophobicContact CD1-CZ3 3.8Å; F729-W755 HydrophobicContact CE1-CE3 4.16Å; F729-W755 AromaticContact CE1-CZ3 3.59Å; F729-W755 HydrophobicContact CE1-CZ3 3.59Å; F729-W755 HydrophobicContact CE2-CZ3 4.35Å; F729-W755 HydrophobicContact CG-CE3 4.1Å; F729-W755 HydrophobicContact CG-CZ3 4.3Å; F729-W755 AromaticContact CZ-CZ3 3.89Å; F729-W755 HydrophobicContact CZ-CZ3 3.89Å; W730-W755 CarbonylContact O-C 3.3Å; W730-W755 WeakPolarHBondContact O-CA 3.39Å; W730-W755 WeakPolarHBondContact O-CB 3.04Å; L743-W755 HydrophobicContact CD1-CD2 4.44Å; H747-W755 AromaticContact CE1-CD1 3.72Å; H747-W755 AromaticContact NE2-CD1 3.23Å; H747-W755 AromaticContact NE2-CG 3.97Å; H747-W755 AromaticContact NE2-NE1 3.87Å
756	T	85.5	Confident	83.2	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.6	172.7	-171.9	0	0	0	0	111.8	T724 F729 W730 N758 E761 L765	T724-T756 HydrophobicContact CG2-CG2 4.11Å; F729-T756 WeakPolarHBondContact CA-O 3.12Å; W730-T756 HydrophobicContact CB-CG2 4.38Å; W730-T756 PolarHBondContact N-O 3.27Å; W730-T756 PolarHBondContact O-N 3.48Å; T756-N758 PolarHBondContact OG1-N 3.33Å; T756-N758 PolarHBondContact OG1-O 3.03Å; T756-E761 VanDerWaalsContact CB-OE2 3.27Å; T756-E761 WeakPolarHBondContact CB-OE2 3.23Å; T756-E761 HydrophobicContact CG2-CB 4.36Å; T756-E761 WeakPolarHBondContact OG1-CB 3.16Å; T756-E761 PolarHBondContact OG1-OE2 3.01Å; T756-L765 HydrophobicContact CG2-CD1 3.54Å
757	G	87.2	Confident	83.9	Confident	33 Å²	33	33.8 Å²	33.8	34%	0.34	19%	0.185	S	C	.	.	S	Bend	trans	-108.9	1.5	164.3	0	0	0	0	0	113.2
758	N	86.3	Confident	84.7	Confident	69 Å²	69	36 Å²	36	37%	0.369	20%	0.201	S	C	.	.			trans	-104.2	127.7	-179.6	-174.5	-1	0	0	0	110.1	T756 E760 E761	T756-N758 PolarHBondContact OG1-N 3.33Å; T756-N758 PolarHBondContact OG1-O 3.03Å; N758-E760 PolarHBondContact O-N 3.28Å; N758-E760 PolarHBondContact OD1-N 3.46Å; N758-E761 HydrophobicContact CB-CB 4.5Å; N758-E761 HydrophobicContact CB-CG 4.18Å; N758-E761 PolarHBondContact O-N 2.94Å
759	T	87.9	Confident	85.1	Confident	47 Å²	47	38.9 Å²	38.9	29%	0.288	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-61.3	-31.8	176.7	-54.8	0	0	0	0	113	T724 K725 E761 C762	T724-T759 WeakPolarHBondContact CB-OG1 3.28Å; T724-T759 VanDerWaalsContact OG1-CA 3.23Å; T724-T759 WeakPolarHBondContact OG1-CA 3.48Å; T724-T759 WeakPolarHBondContact OG1-CB 3.39Å; T724-T759 PolarHBondContact OG1-OG1 2.81Å; K725-T759 HydrophobicContact CG-CG2 4.13Å; T759-E761 VanDerWaalsContact C-N 3.33Å; T759-E761 PolarHBondContact O-N 3.38Å; T759-C762 VanDerWaalsContact O-CB 3.28Å; T759-C762 WeakPolarHBondContact O-CB 3.3Å; T759-C762 PolarHBondContact O-N 3.27Å
760	E	84	Confident	85.4	Confident	154 Å²	154	39.6 Å²	39.6	72%	0.72	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69.7	-30.3	179.9	-63.8	174.9	169.7	0	0	112.5	N758 C762 S763	N758-E760 PolarHBondContact O-N 3.28Å; N758-E760 PolarHBondContact OD1-N 3.46Å; E760-C762 PolarHBondContact O-N 2.9Å; E760-S763 PolarHBondContact O-OG 3.33Å
761	E	84	Confident	86	Confident	53 Å²	53	42.5 Å²	42.5	25%	0.248	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-76	-11.7	177.4	-67.6	-174.6	160.5	0	0	112.3	K75 T756 N758 T759 S763 L764 L765	K75-E761 IonicContact NZ-OE1 2.96Å; K75-E761 PolarHBondContact NZ-OE1 3.36Å; T756-E761 VanDerWaalsContact CB-OE2 3.27Å; T756-E761 WeakPolarHBondContact CB-OE2 3.23Å; T756-E761 HydrophobicContact CG2-CB 4.36Å; T756-E761 WeakPolarHBondContact OG1-CB 3.16Å; T756-E761 PolarHBondContact OG1-OE2 3.01Å; N758-E761 HydrophobicContact CB-CB 4.5Å; N758-E761 HydrophobicContact CB-CG 4.18Å; N758-E761 PolarHBondContact O-N 2.94Å; T759-E761 VanDerWaalsContact C-N 3.33Å; T759-E761 PolarHBondContact O-N 3.38Å; E761-S763 PolarHBondContact O-N 3.45Å; E761-L764 WeakPolarHBondContact O-CB 3.18Å; E761-L764 PolarHBondContact O-N 3.42Å; E761-L765 WeakPolarHBondContact O-CG 3.44Å; E761-L765 PolarHBondContact O-N 3.16Å
762	C	88.9	Confident	86.3	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-37.7	-177.8	-73.9	0	0	0	0	113.7	C720 T759 E760 L764 L765	C720-C762 HydrophobicContact CB-CB 3.63Å; C720-C762 WeakPolarHBondContact CB-SG 3.41Å; C720-C762 PolarHBondContact O-SG 3.47Å; C720-C762 VanDerWaalsContact O-SG 3.38Å; C720-C762 WeakPolarHBondContact SG-CA 3.42Å; C720-C762 WeakPolarHBondContact SG-CB 3.46Å; C720-C762 CovalentContact SG-SG 2.03Å; C720-C762 PolarHBondContact SG-SG 3.37Å; T759-C762 VanDerWaalsContact O-CB 3.28Å; T759-C762 WeakPolarHBondContact O-CB 3.3Å; T759-C762 PolarHBondContact O-N 3.27Å; E760-C762 PolarHBondContact O-N 2.9Å; C762-L764 VanDerWaalsContact C-N 3.25Å; C762-L764 PolarHBondContact O-N 3.03Å; C762-L765 PolarHBondContact O-N 3.18Å
763	S	83.7	Confident	86.6	Confident	68 Å²	68	44.3 Å²	44.3	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-30.3	177.2	51.5	0	0	0	0	111.9	E760 E761 L765	E760-S763 PolarHBondContact O-OG 3.33Å; E761-S763 PolarHBondContact O-N 3.45Å; S763-L765 VanDerWaalsContact C-N 3.29Å; S763-L765 PolarHBondContact O-N 3.25Å
764	L	79.4	Confident	86.9	Confident	91 Å²	91	48 Å²	48	48%	0.476	27%	0.271	S	S	.	.	H	α-helix	trans	-75.9	-15.1	177.3	-58.4	177.3	0	0	0	113.2	E761 C762 A779	E761-L764 WeakPolarHBondContact O-CB 3.18Å; E761-L764 PolarHBondContact O-N 3.42Å; C762-L764 VanDerWaalsContact C-N 3.25Å; C762-L764 PolarHBondContact O-N 3.03Å; L764-A779 WeakPolarHBondContact O-CA 2.99Å; L764-A779 WeakPolarHBondContact O-CB 3.09Å
765	L	82	Confident	87.3	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-95	-12.1	179.8	-66.5	171.3	0	0	0	112.9	A732 Q754 T756 E761 C762 S763	A732-L765 HydrophobicContact CB-CB 4.07Å; A732-L765 HydrophobicContact CB-CD1 4.22Å; A732-L765 HydrophobicContact CB-CD2 4.07Å; A732-L765 HydrophobicContact CB-CG 4.34Å; Q754-L765 HydrophobicContact CB-CD2 4.26Å; T756-L765 HydrophobicContact CG2-CD1 3.54Å; E761-L765 WeakPolarHBondContact O-CG 3.44Å; E761-L765 PolarHBondContact O-N 3.16Å; C762-L765 PolarHBondContact O-N 3.18Å; S763-L765 VanDerWaalsContact C-N 3.29Å; S763-L765 PolarHBondContact O-N 3.25Å
766	D	87.2	Confident	87.6	Confident	70 Å²	70	45.8 Å²	45.8	37%	0.374	27%	0.267	S	S	.	.			trans	-103.8	96.6	-179.8	-175.7	44.8	0	0	0	110.7	P768 S769	D766-P768 VanDerWaalsContact C-CD 3.45Å; D766-P768 VanDerWaalsContact C-N 3.33Å; D766-P768 VanDerWaalsContact O-N 3.16Å; D766-P768 WeakPolarHBondContact OD1-CD 2.99Å; D766-S769 WeakPolarHBondContact O-CB 3.44Å; D766-S769 PolarHBondContact O-N 3.44Å; D766-S769 WeakPolarHBondContact OD2-CB 3.47Å; D766-S769 PolarHBondContact OD2-OG 2.03Å
767	C	91.1	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-46.6	-49.6	-175.4	-47.3	0	0	0	0	113.1	S769 I770 C783 C797	C767-S769 PolarHBondContact O-N 3.41Å; C767-S769 VanDerWaalsContact O-N 3.16Å; C767-I770 WeakPolarHBondContact O-CB 3.07Å; C767-I770 PolarHBondContact O-N 3.23Å; C767-C783 VanDerWaalsContact CA-SG 3.6Å; C767-C783 HydrophobicContact CB-CB 3.82Å; C767-C783 WeakPolarHBondContact CB-SG 2.96Å; C767-C783 VanDerWaalsContact SG-CA 3.52Å; C767-C783 WeakPolarHBondContact SG-CB 3.36Å; C767-C783 CovalentContact SG-SG 2.04Å; C767-C783 PolarHBondContact SG-SG 2.03Å; C767-C797 CarbonylContact C-O 3.48Å; C767-C797 WeakPolarHBondContact O-CB 2.97Å; C767-C797 PolarHBondContact O-SG 3.31Å
768	P	91.9	Very high	87.2	Confident	66 Å²	66	48.8 Å²	48.8	43%	0.429	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21.2	-177.9	-22.5	36.1	0	0	0	115.5	D766 I770 C797	D766-P768 VanDerWaalsContact C-CD 3.45Å; D766-P768 VanDerWaalsContact C-N 3.33Å; D766-P768 VanDerWaalsContact O-N 3.16Å; D766-P768 WeakPolarHBondContact OD1-CD 2.99Å; P768-I770 PolarHBondContact O-N 3.34Å; P768-C797 WeakPolarHBondContact CA-O 3.5Å
769	S	89.4	Confident	86.8	Confident	69 Å²	69	45.6 Å²	45.6	48%	0.483	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-77.7	-9.6	176.9	-69.5	0	0	0	0	112.7	D766 C767	D766-S769 WeakPolarHBondContact O-CB 3.44Å; D766-S769 PolarHBondContact O-N 3.44Å; D766-S769 WeakPolarHBondContact OD2-CB 3.47Å; D766-S769 PolarHBondContact OD2-OG 2.03Å; C767-S769 PolarHBondContact O-N 3.41Å; C767-S769 VanDerWaalsContact O-N 3.16Å
770	I	91.8	Very high	86.1	Confident	15 Å²	15	43.9 Å²	43.9	8%	0.077	25%	0.249	C	C	.	.			trans	-93.8	123.5	-176.2	-55.1	167.9	0	0	0	110.5	C767 P768 G775 C776 A779 C797	C767-I770 WeakPolarHBondContact O-CB 3.07Å; C767-I770 PolarHBondContact O-N 3.23Å; P768-I770 PolarHBondContact O-N 3.34Å; I770-G775 VanDerWaalsContact CG2-C 3.46Å; I770-C776 HydrophobicContact CG2-CB 4.25Å; I770-C776 VanDerWaalsContact CG2-N 3.35Å; I770-A779 HydrophobicContact CD1-CB 3.38Å; I770-C797 HydrophobicContact CB-CB 4.15Å; I770-C797 WeakPolarHBondContact O-CB 3.37Å
771	L	92.7	Very high	86	Confident	61 Å²	61	37 Å²	37	32%	0.319	22%	0.218	S	C	.	.			trans	-99	-5.8	-171.6	-58.6	176.9	0	0	0	113.9	W785 N880 L882 N883	L771-W785 WeakPolarHBondContact O-CH2 3.46Å; L771-N880 WeakPolarHBondContact CD1-ND2 3.36Å; L771-L882 HydrophobicContact CB-CB 4.05Å; L771-L882 HydrophobicContact CD1-CB 4.31Å; L771-N883 HydrophobicContact CB-CB 4.12Å; L771-N883 VanDerWaalsContact O-CB 3.27Å; L771-N883 WeakPolarHBondContact O-CB 3.17Å
772	T	91.3	Very high	86.2	Confident	45 Å²	45	35.1 Å²	35.1	28%	0.276	21%	0.209	S	C	.	.	S	Bend	trans	-121	147.4	179.3	62	0	0	0	0	110.6	G775 C776 W785 L882	T772-G775 PolarHBondContact O-N 3.29Å; T772-G775 PolarHBondContact OG1-N 2.97Å; T772-G775 VanDerWaalsContact OG1-N 3.13Å; T772-C776 WeakPolarHBondContact O-CB 3.5Å; T772-C776 PolarHBondContact O-N 3.4Å; T772-W785 VanDerWaalsContact C-CZ3 3.5Å; T772-L882 HydrophobicContact CG2-CD1 4.15Å; T772-L882 HydrophobicContact CG2-CD2 3.95Å; T772-L882 HydrophobicContact CG2-CG 4.48Å
773	C	91.4	Very high	86.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-48.4	175.3	175.3	0	0	0	0	111	G775 C776 L777 W785 C832 Q836	C773-G775 VanDerWaalsContact C-N 3.34Å; C773-G775 PolarHBondContact O-N 2.94Å; C773-C776 WeakPolarHBondContact O-CA 3.39Å; C773-C776 VanDerWaalsContact O-CB 3.23Å; C773-C776 WeakPolarHBondContact O-CB 3.23Å; C773-C776 PolarHBondContact O-N 3.13Å; C773-L777 WeakPolarHBondContact O-CG 3.42Å; C773-L777 PolarHBondContact O-N 2.02Å; C773-W785 HydrophobicContact CB-CB 4.21Å; C773-W785 HydrophobicContact CB-CD2 3.68Å; C773-W785 HydrophobicContact CB-CE3 4.24Å; C773-W785 HydrophobicContact CB-CG 3.65Å; C773-C832 HydrophobicContact CB-CB 3.79Å; C773-C832 WeakPolarHBondContact CB-SG 3.43Å; C773-C832 WeakPolarHBondContact SG-CA 3.43Å; C773-C832 WeakPolarHBondContact SG-CB 3.38Å; C773-C832 CovalentContact SG-SG 2.03Å; C773-C832 PolarHBondContact SG-SG 3.26Å; C773-Q836 VanDerWaalsContact CB-OE1 3.29Å
774	D	87	Confident	86.7	Confident	81 Å²	81	31.7 Å²	31.7	43%	0.433	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-46	178.5	-67.1	-46.7	0	0	0	111.7	C776 L777 L778 C832	D774-C776 PolarHBondContact O-N 3.43Å; D774-L777 PolarHBondContact O-N 3.22Å; D774-L778 WeakPolarHBondContact O-CB 3.37Å; D774-L778 WeakPolarHBondContact O-CD1 3.44Å; D774-L778 WeakPolarHBondContact O-CG 2.98Å; D774-L778 PolarHBondContact O-N 3.16Å; D774-C832 PolarHBondContact N-SG 3.47Å; D774-C832 VanDerWaalsContact N-SG 3.43Å; D774-C832 PolarHBondContact OD1-SG 3.42Å
775	G	87.1	Confident	87.5	Confident	14 Å²	14	27.4 Å²	27.4	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-39.1	174.8	0	0	0	0	0	112.3	I770 T772 C773 L778 A779	I770-G775 VanDerWaalsContact CG2-C 3.46Å; T772-G775 PolarHBondContact O-N 3.29Å; T772-G775 PolarHBondContact OG1-N 2.97Å; T772-G775 VanDerWaalsContact OG1-N 3.13Å; C773-G775 VanDerWaalsContact C-N 3.34Å; C773-G775 PolarHBondContact O-N 2.94Å; G775-L778 PolarHBondContact O-N 3.35Å; G775-A779 PolarHBondContact O-N 3.05Å
776	C	90.7	Very high	88.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-39.9	179.6	-172.2	0	0	0	0	111.7	I770 T772 C773 D774 C783 G784 W785 C797	I770-C776 HydrophobicContact CG2-CB 4.25Å; I770-C776 VanDerWaalsContact CG2-N 3.35Å; T772-C776 WeakPolarHBondContact O-CB 3.5Å; T772-C776 PolarHBondContact O-N 3.4Å; C773-C776 WeakPolarHBondContact O-CA 3.39Å; C773-C776 VanDerWaalsContact O-CB 3.23Å; C773-C776 WeakPolarHBondContact O-CB 3.23Å; C773-C776 PolarHBondContact O-N 3.13Å; D774-C776 PolarHBondContact O-N 3.43Å; C776-C783 WeakPolarHBondContact O-CB 3.44Å; C776-G784 PolarHBondContact SG-O 2.87Å; C776-G784 VanDerWaalsContact SG-O 3.33Å; C776-W785 HydrophobicContact CB-CE3 3.89Å; C776-C797 VanDerWaalsContact CA-SG 3.55Å; C776-C797 HydrophobicContact CB-CB 3.61Å; C776-C797 WeakPolarHBondContact CB-SG 3.36Å; C776-C797 VanDerWaalsContact SG-CA 3.51Å; C776-C797 WeakPolarHBondContact SG-CB 3.43Å; C776-C797 CovalentContact SG-SG 2.02Å; C776-C797 PolarHBondContact SG-SG 2.8Å
777	L	85.5	Confident	88.5	Confident	21 Å²	21	24.8 Å²	24.8	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-74.2	-29.4	177.2	-58.4	-170.8	0	0	0	112.1	C773 D774	C773-L777 WeakPolarHBondContact O-CG 3.42Å; C773-L777 PolarHBondContact O-N 2.02Å; D774-L777 PolarHBondContact O-N 3.22Å
778	L	77.5	Confident	88.6	Confident	76 Å²	76	28.9 Å²	28.9	40%	0.398	17%	0.172	S	C	.	.	H	α-helix	trans	-77.6	-27.5	176.5	-67.1	167.8	0	0	0	113.7	Q60 D774 G775 G780	Q60-L778 HydrophobicContact CB-CD2 3.82Å; Q60-L778 HydrophobicContact CG-CD2 4.3Å; Q60-L778 PolarHBondContact OE1-O 3.15Å; D774-L778 WeakPolarHBondContact O-CB 3.37Å; D774-L778 WeakPolarHBondContact O-CD1 3.44Å; D774-L778 WeakPolarHBondContact O-CG 2.98Å; D774-L778 PolarHBondContact O-N 3.16Å; G775-L778 PolarHBondContact O-N 3.35Å; L778-G780 PolarHBondContact O-N 2.95Å
779	A	77.4	Confident	88.6	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-53.4	-38.5	-178.8	0	0	0	0	0	114	R77 Q754 L764 I770 G775	R77-A779 PolarHBondContact NH1-O 3.19Å; Q754-A779 PolarHBondContact NE2-O 3.12Å; L764-A779 WeakPolarHBondContact O-CA 2.99Å; L764-A779 WeakPolarHBondContact O-CB 3.09Å; I770-A779 HydrophobicContact CD1-CB 3.38Å; G775-A779 PolarHBondContact O-N 3.05Å
780	G	75.1	Confident	88.6	Confident	10 Å²	10	27.2 Å²	27.2	10%	0.103	17%	0.171	C	C	.	.			trans	151.2	179.5	-179.8	0	0	0	0	0	113.5	L778 N782	L778-G780 PolarHBondContact O-N 2.95Å; G780-N782 PolarHBondContact O-N 3.3Å; G780-N782 VanDerWaalsContact O-N 3.11Å
781	P	81.7	Confident	88.4	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.071	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.9	-176	36.5	-41.4	0	0	0	113.5	R62 I116 F147 Y149	R62-P781 PolarHBondContact NH2-O 3.15Å; I116-P781 HydrophobicContact CG2-CB 3.84Å; I116-P781 HydrophobicContact CG2-CG 3.6Å; F147-P781 HydrophobicContact CE1-CB 3.78Å; F147-P781 HydrophobicContact CZ-CB 3.66Å; Y149-P781 HydrophobicContact CD2-CB 3.96Å; Y149-P781 HydrophobicContact CD2-CG 3.7Å; Y149-P781 HydrophobicContact CE1-CG 4.3Å; Y149-P781 HydrophobicContact CE2-CB 3.99Å; Y149-P781 HydrophobicContact CE2-CG 3.44Å; Y149-P781 VanDerWaalsContact CE2-CG 3.44Å; Y149-P781 HydrophobicContact CG-CG 4.23Å
782	N	87.8	Confident	88.4	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.064	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.7	-175.8	61.5	-56.5	0	0	0	113.7	I116 Y117 G780 K799 G800	I116-N782 HydrophobicContact CD1-CB 3.4Å; I116-N782 VanDerWaalsContact CD1-CB 3.4Å; I116-N782 HydrophobicContact CG1-CB 4.31Å; Y117-N782 PolarHBondContact OH-O 3.15Å; G780-N782 PolarHBondContact O-N 3.3Å; G780-N782 VanDerWaalsContact O-N 3.11Å; N782-K799 CarbonylContact O-C 3.58Å; N782-K799 VanDerWaalsContact O-CA 3.28Å; N782-K799 WeakPolarHBondContact O-CA 3.2Å; N782-G800 PolarHBondContact O-N 3.47Å
783	C	90.4	Very high	88.3	Confident	3 Å²	3	24 Å²	24	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	159.4	-177.5	-55.3	0	0	0	0	111.4	C767 C776 M798	C767-C783 VanDerWaalsContact CA-SG 3.6Å; C767-C783 HydrophobicContact CB-CB 3.82Å; C767-C783 WeakPolarHBondContact CB-SG 2.96Å; C767-C783 VanDerWaalsContact SG-CA 3.52Å; C767-C783 WeakPolarHBondContact SG-CB 3.36Å; C767-C783 CovalentContact SG-SG 2.04Å; C767-C783 PolarHBondContact SG-SG 2.03Å; C776-C783 WeakPolarHBondContact O-CB 3.44Å; C783-M798 CarbonylContact C-O 3.41Å; C783-M798 VanDerWaalsContact CA-O 3.3Å; C783-M798 WeakPolarHBondContact CA-O 3.45Å
784	G	93.2	Very high	88.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.2	165.9	0	0	0	0	0	110.4	C776 M798 W827 Y828	C776-G784 PolarHBondContact SG-O 2.87Å; C776-G784 VanDerWaalsContact SG-O 3.33Å; G784-M798 PolarHBondContact N-O 2.88Å; G784-M798 PolarHBondContact O-N 2.8Å; G784-W827 VanDerWaalsContact C-CZ3 3.47Å; G784-W827 VanDerWaalsContact O-CH2 3.28Å; G784-W827 WeakPolarHBondContact O-CH2 2.97Å; G784-W827 VanDerWaalsContact O-CZ3 3.32Å; G784-W827 WeakPolarHBondContact O-CZ3 3.32Å; G784-Y828 CarbonylContact C-O 3.59Å; G784-Y828 WeakPolarHBondContact CA-O 3.04Å
785	W	94.9	Very high	88.8	Confident	1 Å²	1	22.7 Å²	22.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.3	-175.4	-174.9	-98.7	0	0	0	110.5	L771 T772 C773 C776 C797 Y828	L771-W785 WeakPolarHBondContact O-CH2 3.46Å; T772-W785 VanDerWaalsContact C-CZ3 3.5Å; C773-W785 HydrophobicContact CB-CB 4.21Å; C773-W785 HydrophobicContact CB-CD2 3.68Å; C773-W785 HydrophobicContact CB-CE3 4.24Å; C773-W785 HydrophobicContact CB-CG 3.65Å; C776-W785 HydrophobicContact CB-CE3 3.89Å; W785-C797 HydrophobicContact CE3-CB 3.82Å; W785-C797 HydrophobicContact CZ3-CB 3.99Å; W785-Y828 PolarHBondContact N-O 3.44Å; W785-Y828 PolarHBondContact O-N 2.59Å
786	C	96.2	Very high	89.3	Confident	15 Å²	15	29.4 Å²	29.4	10%	0.101	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.6	170.2	-173.3	0	0	0	0	109.5	G795 R796 M798 C822 S826 W827	C786-G795 CarbonylContact O-C 3.54Å; C786-G795 WeakPolarHBondContact O-CA 2.95Å; C786-R796 PolarHBondContact N-O 3.44Å; C786-R796 PolarHBondContact O-N 2.91Å; C786-M798 HydrophobicContact CB-CE 3.47Å; C786-M798 VanDerWaalsContact CB-CE 3.47Å; C786-C822 VanDerWaalsContact CA-SG 3.54Å; C786-C822 HydrophobicContact CB-CB 3.77Å; C786-C822 WeakPolarHBondContact CB-SG 3.32Å; C786-C822 WeakPolarHBondContact SG-CB 3.28Å; C786-C822 CovalentContact SG-SG 2.03Å; C786-C822 PolarHBondContact SG-SG 3.33Å; C786-S826 CarbonylContact C-O 3.52Å; C786-S826 WeakPolarHBondContact CA-O 3Å; C786-W827 HydrophobicContact CB-CE3 4.06Å; C786-W827 HydrophobicContact CB-CZ3 4.26Å
787	D	94.8	Very high	89.5	Confident	17 Å²	17	29.5 Å²	29.5	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.8	171.6	-173.6	82.9	0	0	0	110.1	G789 S826 Y828 P833	D787-G789 PolarHBondContact O-N 3.04Å; D787-G789 VanDerWaalsContact OD2-CA 3.29Å; D787-G789 WeakPolarHBondContact OD2-CA 3.44Å; D787-G789 PolarHBondContact OD2-N 2.79Å; D787-S826 PolarHBondContact N-O 3.38Å; D787-S826 WeakPolarHBondContact O-CB 3.18Å; D787-Y828 HydrophobicContact CB-CD2 4.15Å; D787-Y828 HydrophobicContact CB-CE2 3.79Å; D787-P833 HydrophobicContact CB-CG 4.07Å
788	D	93.7	Very high	89.9	Confident	86 Å²	86	29.4 Å²	29.4	46%	0.46	18%	0.18	S	C	.	.			trans	-79.1	-4.7	-178.7	78.9	-18.3	0	0	0	113.7	S790 L794	D788-S790 VanDerWaalsContact C-N 3.31Å; D788-S790 WeakPolarHBondContact OD1-CB 3.25Å; D788-S790 PolarHBondContact OD1-N 3.24Å; D788-S790 PolarHBondContact OD1-OG 2.86Å; D788-S790 PolarHBondContact OD2-OG 2.03Å; D788-L794 HydrophobicContact CB-CB 4.36Å; D788-L794 VanDerWaalsContact CG-CB 3.44Å; D788-L794 PolarHBondContact N-O 2.89Å; D788-L794 WeakPolarHBondContact OD2-CB 3.41Å
789	G	90.2	Very high	90.6	Very high	55 Å²	55	29 Å²	29	57%	0.567	17%	0.174	S	C	*	.	S	Bend	trans	80.9	4.5	-179.3	0	0	0	0	0	114.5	D787 G791	D787-G789 PolarHBondContact O-N 3.04Å; D787-G789 VanDerWaalsContact OD2-CA 3.29Å; D787-G789 WeakPolarHBondContact OD2-CA 3.44Å; D787-G789 PolarHBondContact OD2-N 2.79Å; G789-G791 VanDerWaalsContact C-N 3.26Å; G789-G791 PolarHBondContact O-N 3.26Å
790	S	90.8	Very high	91.3	Very high	46 Å²	46	28.9 Å²	28.9	32%	0.322	17%	0.173	S	C	.	.	S	Bend	trans	-73.5	-16.9	179	65.4	0	0	0	0	113.6	D788 T792	D788-S790 VanDerWaalsContact C-N 3.31Å; D788-S790 WeakPolarHBondContact OD1-CB 3.25Å; D788-S790 PolarHBondContact OD1-N 3.24Å; D788-S790 PolarHBondContact OD1-OG 2.86Å; D788-S790 PolarHBondContact OD2-OG 2.03Å; S790-T792 PolarHBondContact O-N 2.96Å; S790-T792 PolarHBondContact OG-N 3.3Å; S790-T792 PolarHBondContact OG-OG1 3.24Å
791	G	87.9	Confident	91.9	Very high	39 Å²	39	28.5 Å²	28.5	40%	0.402	17%	0.169	S	C	.	.	S	Bend	trans	70	12.9	-173.4	0	0	0	0	0	114	G789 C835	G789-G791 VanDerWaalsContact C-N 3.26Å; G789-G791 PolarHBondContact O-N 3.26Å; G791-C835 PolarHBondContact O-SG 3.05Å; G791-C835 VanDerWaalsContact O-SG 3.38Å
792	T	91.1	Very high	92.2	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.08	18%	0.176	C	C	.	.	S	Bend	trans	-103.5	-1.6	179.6	66.5	0	0	0	0	113.2	S790 C837 N838 G839 G841 F842	S790-T792 PolarHBondContact O-N 2.96Å; S790-T792 PolarHBondContact OG-N 3.3Å; S790-T792 PolarHBondContact OG-OG1 3.24Å; T792-C837 CarbonylContact O-C 3.52Å; T792-C837 VanDerWaalsContact O-CA 3.27Å; T792-C837 WeakPolarHBondContact O-CA 3.44Å; T792-C837 WeakPolarHBondContact O-CB 3.1Å; T792-C837 PolarHBondContact O-N 3.07Å; T792-N838 PolarHBondContact O-N 3.49Å; T792-G839 PolarHBondContact O-N 3.03Å; T792-G839 VanDerWaalsContact O-N 3.11Å; T792-G839 WeakPolarHBondContact OG1-CA 3.24Å; T792-G841 WeakPolarHBondContact CA-O 3.38Å; T792-G841 WeakPolarHBondContact CB-O 3.41Å; T792-G841 WeakPolarHBondContact CG2-O 3.48Å; T792-F842 HydrophobicContact CG2-CD1 3.87Å; T792-F842 HydrophobicContact CG2-CE1 3.42Å; T792-F842 VanDerWaalsContact CG2-CE1 3.42Å; T792-F842 HydrophobicContact CG2-CE2 4.42Å; T792-F842 HydrophobicContact CG2-CZ 3.73Å
793	G	90.3	Very high	92.1	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	85.8	6.2	-175.6	0	0	0	0	0	115.6	C835	G793-C835 WeakPolarHBondContact CA-O 3.3Å
794	L	94.2	Very high	92.2	Very high	39 Å²	39	31.5 Å²	31.5	20%	0.204	19%	0.186	C	C	.	.			trans	-67.5	146.3	172.1	-73.9	177.6	0	0	0	111.4	D788 G839 N883 G884	D788-L794 HydrophobicContact CB-CB 4.36Å; D788-L794 VanDerWaalsContact CG-CB 3.44Å; D788-L794 PolarHBondContact N-O 2.89Å; D788-L794 WeakPolarHBondContact OD2-CB 3.41Å; L794-G839 VanDerWaalsContact CG-CA 3.44Å; L794-N883 WeakPolarHBondContact CA-OD1 3.43Å; L794-G884 VanDerWaalsContact CD2-N 3.26Å
795	G	95.3	Very high	92.3	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-167.7	176.3	0	0	0	0	0	113.9	C786 N883	C786-G795 CarbonylContact O-C 3.54Å; C786-G795 WeakPolarHBondContact O-CA 2.95Å; G795-N883 PolarHBondContact N-OD1 2.69Å; G795-N883 PolarHBondContact O-ND2 3.38Å; G795-N883 PolarHBondContact O-OD1 3.45Å
796	R	95.8	Very high	92.1	Very high	154 Å²	154	32 Å²	32	58%	0.581	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.3	-179.7	-170.8	179.7	-179.5	179.2	2.1	110.6	C786 M798	C786-R796 PolarHBondContact N-O 3.44Å; C786-R796 PolarHBondContact O-N 2.91Å; R796-M798 HydrophobicContact CB-CG 4.42Å; R796-M798 HydrophobicContact CG-CG 3.84Å; R796-M798 HydrophobicContact CG-SD 4.4Å
797	C	95.2	Very high	91.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.4	168.5	-173	0	0	0	0	110.4	C767 P768 I770 C776 W785	C767-C797 CarbonylContact C-O 3.48Å; C767-C797 WeakPolarHBondContact O-CB 2.97Å; C767-C797 PolarHBondContact O-SG 3.31Å; P768-C797 WeakPolarHBondContact CA-O 3.5Å; I770-C797 HydrophobicContact CB-CB 4.15Å; I770-C797 WeakPolarHBondContact O-CB 3.37Å; C776-C797 VanDerWaalsContact CA-SG 3.55Å; C776-C797 HydrophobicContact CB-CB 3.61Å; C776-C797 WeakPolarHBondContact CB-SG 3.36Å; C776-C797 VanDerWaalsContact SG-CA 3.51Å; C776-C797 WeakPolarHBondContact SG-CB 3.43Å; C776-C797 CovalentContact SG-SG 2.02Å; C776-C797 PolarHBondContact SG-SG 2.8Å; W785-C797 HydrophobicContact CE3-CB 3.82Å; W785-C797 HydrophobicContact CZ3-CB 3.99Å
798	M	94.2	Very high	91.4	Very high	20 Å²	20	36.8 Å²	36.8	10%	0.099	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.6	-175.5	-63.7	-170.2	-70	0	0	111.3	C783 G784 C786 R796 G800 P805 C822 W827	C783-M798 CarbonylContact C-O 3.41Å; C783-M798 VanDerWaalsContact CA-O 3.3Å; C783-M798 WeakPolarHBondContact CA-O 3.45Å; G784-M798 PolarHBondContact N-O 2.88Å; G784-M798 PolarHBondContact O-N 2.8Å; C786-M798 HydrophobicContact CB-CE 3.47Å; C786-M798 VanDerWaalsContact CB-CE 3.47Å; R796-M798 HydrophobicContact CB-CG 4.42Å; R796-M798 HydrophobicContact CG-CG 3.84Å; R796-M798 HydrophobicContact CG-SD 4.4Å; M798-G800 PolarHBondContact O-N 3.02Å; M798-P805 HydrophobicContact CE-CB 4.4Å; M798-P805 HydrophobicContact CE-CG 3.9Å; M798-C822 HydrophobicContact CE-CB 3.97Å; M798-W827 HydrophobicContact CB-CH2 4.38Å; M798-W827 HydrophobicContact CB-CZ3 4.28Å; M798-W827 HydrophobicContact CE-CZ3 4.06Å
799	K	92.5	Very high	90.9	Very high	67 Å²	67	34.5 Å²	34.5	29%	0.291	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	130.7	170	-71.4	-178.8	-178.8	179.4	0	109.4	Y117 N782 P805 A806	Y117-K799 WeakPolarHBondContact OH-CB 3.47Å; N782-K799 CarbonylContact O-C 3.58Å; N782-K799 VanDerWaalsContact O-CA 3.28Å; N782-K799 WeakPolarHBondContact O-CA 3.2Å; K799-P805 CarbonylContact O-C 3.58Å; K799-P805 WeakPolarHBondContact O-CA 3.34Å; K799-A806 PolarHBondContact O-N 3.01Å
800	G	91.9	Very high	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	172.3	-178.3	0	0	0	0	0	116	Y117 N782 M798 G804	Y117-G800 WeakPolarHBondContact CE2-O 3.14Å; N782-G800 PolarHBondContact O-N 3.47Å; M798-G800 PolarHBondContact O-N 3.02Å; G800-G804 WeakPolarHBondContact CA-O 3.47Å
801	S	88.9	Confident	89.7	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-172.6	-180	58	0	0	0	0	109.3	D114 N803 G804 W827	D114-S801 WeakPolarHBondContact OD2-CB 3.33Å; D114-S801 PolarHBondContact OD2-OG 3.17Å; D114-S801 VanDerWaalsContact OD2-OG 3.06Å; S801-N803 VanDerWaalsContact C-N 3.25Å; S801-N803 PolarHBondContact O-N 2.61Å; S801-G804 PolarHBondContact N-O 3.22Å; S801-G804 PolarHBondContact O-N 2.8Å; S801-G804 PolarHBondContact OG-O 2.89Å; S801-W827 PolarHBondContact O-NE1 3.06Å
802	T	86.3	Confident	88.9	Confident	34 Å²	34	50.9 Å²	50.9	21%	0.209	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36	-176.8	-51.9	0	0	0	0	111.5	R62 L81 D114 G804 V829	R62-T802 VanDerWaalsContact NH1-CA 3.31Å; R62-T802 PolarHBondContact NH1-OG1 2.93Å; L81-T802 HydrophobicContact CD2-CG2 3.62Å; L81-T802 WeakPolarHBondContact CD2-OG1 3.08Å; D114-T802 PolarHBondContact O-N 3.5Å; D114-T802 PolarHBondContact O-OG1 3.49Å; D114-T802 PolarHBondContact OD2-N 2.83Å; D114-T802 VanDerWaalsContact OD2-N 3.09Å; T802-G804 VanDerWaalsContact C-N 3.25Å; T802-G804 PolarHBondContact O-N 2.61Å; T802-V829 HydrophobicContact CG2-CG2 4.18Å
803	N	87.4	Confident	88.1	Confident	54 Å²	54	53 Å²	53	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1	-177.6	-64.8	-31.8	0	0	0	113.7	D114 S801 V817 F819 L824	D114-N803 WeakPolarHBondContact OD2-CB 3.19Å; D114-N803 PolarHBondContact OD2-N 2.88Å; D114-N803 PolarHBondContact OD2-ND2 3.4Å; S801-N803 VanDerWaalsContact C-N 3.25Å; S801-N803 PolarHBondContact O-N 2.61Å; N803-V817 HydrophobicContact CB-CG1 4.41Å; N803-V817 HydrophobicContact CB-CG2 4.3Å; N803-V817 VanDerWaalsContact O-CG1 3.28Å; N803-V817 WeakPolarHBondContact O-CG1 3.4Å; N803-F819 VanDerWaalsContact O-CE1 3.22Å; N803-F819 WeakPolarHBondContact O-CE1 3.23Å; N803-L824 WeakPolarHBondContact O-CD2 3.22Å
804	G	92	Very high	87.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-173.4	175.4	0	0	0	0	0	114.8	G800 S801 T802	G800-G804 WeakPolarHBondContact CA-O 3.47Å; S801-G804 PolarHBondContact N-O 3.22Å; S801-G804 PolarHBondContact O-N 2.8Å; S801-G804 PolarHBondContact OG-O 2.89Å; T802-G804 VanDerWaalsContact C-N 3.25Å; T802-G804 PolarHBondContact O-N 2.61Å
805	P	94.7	Very high	87.1	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.8	177.6	-23	34.1	0	0	0	111.9	M798 K799 V817 N818 L821 C822 W827	M798-P805 HydrophobicContact CE-CB 4.4Å; M798-P805 HydrophobicContact CE-CG 3.9Å; K799-P805 CarbonylContact O-C 3.58Å; K799-P805 WeakPolarHBondContact O-CA 3.34Å; P805-V817 CarbonylContact O-C 3.35Å; P805-V817 WeakPolarHBondContact O-CA 3.45Å; P805-N818 PolarHBondContact O-N 3.44Å; P805-L821 HydrophobicContact CB-CB 4.05Å; P805-L821 HydrophobicContact CB-CD1 4.16Å; P805-L821 HydrophobicContact CG-CB 4.02Å; P805-C822 HydrophobicContact CG-CB 3.53Å; P805-W827 HydrophobicContact CG-CD2 4.47Å; P805-W827 HydrophobicContact CG-CE3 4.01Å; P805-W827 HydrophobicContact CG-CH2 4.33Å; P805-W827 HydrophobicContact CG-CZ3 3.94Å
806	A	91.6	Very high	86.7	Confident	11 Å²	11	59.4 Å²	59.4	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.2	-178.6	0	0	0	0	0	110.3	Y117 K799 Y815	Y117-A806 HydrophobicContact CD1-CB 4.41Å; Y117-A806 HydrophobicContact CD2-CB 3.49Å; Y117-A806 VanDerWaalsContact CD2-CB 3.49Å; Y117-A806 HydrophobicContact CE2-CB 3.73Å; Y117-A806 HydrophobicContact CG-CB 3.86Å; K799-A806 PolarHBondContact O-N 3.01Å; A806-Y815 HydrophobicContact CB-CD1 4.17Å
807	V	90.6	Very high	86.3	Confident	61 Å²	61	54.4 Å²	54.4	37%	0.37	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.1	178.8	-175.1	0	0	0	0	109	N809 Y815 E816 N818 L821	V807-N809 PolarHBondContact O-N 3.48Å; V807-Y815 CarbonylContact O-C 3.21Å; V807-Y815 WeakPolarHBondContact O-CA 3.32Å; V807-E816 PolarHBondContact N-O 2.87Å; V807-E816 PolarHBondContact O-N 2.98Å; V807-N818 HydrophobicContact CG2-CB 3.8Å; V807-L821 HydrophobicContact CG2-CD1 3.48Å; V807-L821 VanDerWaalsContact CG2-CD1 3.48Å
808	L	84.4	Confident	86	Confident	70 Å²	70	57.6 Å²	57.6	37%	0.366	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.7	174.9	-178.3	66.5	0	0	0	109.5	E810 Y815	L808-E810 PolarHBondContact O-N 3.48Å; L808-Y815 HydrophobicContact CB-CD1 4.29Å; L808-Y815 HydrophobicContact CB-CE1 4Å; L808-Y815 HydrophobicContact CD1-CD2 4.09Å; L808-Y815 HydrophobicContact CD1-CE2 3.93Å; L808-Y815 HydrophobicContact CD1-CG 4.5Å
809	N	83.7	Confident	85.7	Confident	39 Å²	39	62.2 Å²	62.2	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	103.4	166.1	-175.5	-32.6	0	0	0	108.3	V807 E811 R812 N813 A814 E816	V807-N809 PolarHBondContact O-N 3.48Å; N809-E811 VanDerWaalsContact C-N 3.25Å; N809-E811 PolarHBondContact O-N 3.37Å; N809-E811 WeakPolarHBondContact OD1-CB 3.42Å; N809-E811 PolarHBondContact OD1-N 2.04Å; N809-E811 VanDerWaalsContact OD1-N 3.15Å; N809-R812 PolarHBondContact O-N 2.96Å; N809-R812 PolarHBondContact OD1-N 2.81Å; N809-N813 VanDerWaalsContact O-CA 3.29Å; N809-N813 WeakPolarHBondContact O-CA 3.36Å; N809-N813 PolarHBondContact O-N 2.79Å; N809-A814 WeakPolarHBondContact CB-O 3.27Å; N809-A814 PolarHBondContact N-O 3.38Å; N809-A814 PolarHBondContact O-N 3.25Å; N809-E816 HydrophobicContact CB-CG 4.33Å; N809-E816 PolarHBondContact ND2-OE2 2.81Å
810	E	80.2	Confident	85.5	Confident	163 Å²	163	62.4 Å²	62.4	76%	0.762	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.5	-176.2	-64.3	-167.5	157.8	0	0	113.4	L808	L808-E810 PolarHBondContact O-N 3.48Å
811	E	76	Confident	85.6	Confident	151 Å²	151	66.8 Å²	66.8	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-45.8	-179.5	-63.4	-171.1	164.4	0	0	111.6	R269 N809	R269-E811 PolarHBondContact NH1-O 3.1Å; N809-E811 VanDerWaalsContact C-N 3.25Å; N809-E811 PolarHBondContact O-N 3.37Å; N809-E811 WeakPolarHBondContact OD1-CB 3.42Å; N809-E811 PolarHBondContact OD1-N 2.04Å; N809-E811 VanDerWaalsContact OD1-N 3.15Å
812	R	71.3	Confident	85.8	Confident	169 Å²	169	66.7 Å²	66.7	64%	0.638	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.4	178.7	-68.2	179.4	173.4	-178.9	-4.3	113.1	N809 A814 E816	N809-R812 PolarHBondContact O-N 2.96Å; N809-R812 PolarHBondContact OD1-N 2.81Å; R812-A814 HydrophobicContact CB-CB 4.2Å; R812-A814 PolarHBondContact O-N 3.22Å; R812-E816 WeakPolarHBondContact CD-OE1 3.45Å; R812-E816 IonicContact CZ-OE1 2.61Å; R812-E816 IonicContact NE-OE1 2.88Å; R812-E816 IonicContact NH1-OE1 3.82Å; R812-E816 PolarHBondContact NH1-OE1 3.37Å
813	N	73.9	Confident	86.1	Confident	57 Å²	57	69 Å²	69	31%	0.305	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	41.6	-170.3	-164.5	39.5	0	0	0	112.1	P267 N809	P267-N813 WeakPolarHBondContact CB-O 3.33Å; P267-N813 WeakPolarHBondContact CG-O 3.42Å; N809-N813 VanDerWaalsContact O-CA 3.29Å; N809-N813 WeakPolarHBondContact O-CA 3.36Å; N809-N813 PolarHBondContact O-N 2.79Å
814	A	79.6	Confident	86.1	Confident	34 Å²	34	71.1 Å²	71.1	28%	0.281	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.8	-176.1	0	0	0	0	0	110	N809 R812	N809-A814 WeakPolarHBondContact CB-O 3.27Å; N809-A814 PolarHBondContact N-O 3.38Å; N809-A814 PolarHBondContact O-N 3.25Å; R812-A814 HydrophobicContact CB-CB 4.2Å; R812-A814 PolarHBondContact O-N 3.22Å
815	Y	84.6	Confident	86	Confident	81 Å²	81	75.2 Å²	75.2	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.4	176.5	-75.5	-93.6	0	0	0	110.3	Y117 A806 V807 L808	Y117-Y815 AromaticContact CD1-CD1 3.56Å; Y117-Y815 HydrophobicContact CD1-CD1 3.56Å; Y117-Y815 AromaticContact CD1-CD2 3.57Å; Y117-Y815 HydrophobicContact CD1-CD2 3.57Å; Y117-Y815 AromaticContact CD1-CE1 3.89Å; Y117-Y815 HydrophobicContact CD1-CE1 3.89Å; Y117-Y815 AromaticContact CD1-CE2 3.89Å; Y117-Y815 HydrophobicContact CD1-CE2 3.89Å; Y117-Y815 AromaticContact CD1-CG 3.38Å; Y117-Y815 HydrophobicContact CD1-CG 3.38Å; Y117-Y815 AromaticContact CE1-CD1 3.72Å; Y117-Y815 HydrophobicContact CE1-CD1 3.72Å; Y117-Y815 HydrophobicContact CE1-CD2 4.15Å; Y117-Y815 AromaticContact CE1-CE1 3.59Å; Y117-Y815 HydrophobicContact CE1-CE1 3.59Å; Y117-Y815 HydrophobicContact CE1-CE2 4.03Å; Y117-Y815 AromaticContact CE1-CG 4Å; Y117-Y815 HydrophobicContact CE1-CG 4Å; Y117-Y815 AromaticContact CE1-CZ 3.75Å; Y117-Y815 HydrophobicContact CG-CD1 4.31Å; Y117-Y815 HydrophobicContact CG-CG 4.08Å; A806-Y815 HydrophobicContact CB-CD1 4.17Å; V807-Y815 CarbonylContact O-C 3.21Å; V807-Y815 WeakPolarHBondContact O-CA 3.32Å; L808-Y815 HydrophobicContact CB-CD1 4.29Å; L808-Y815 HydrophobicContact CB-CE1 4Å; L808-Y815 HydrophobicContact CD1-CD2 4.09Å; L808-Y815 HydrophobicContact CD1-CE2 3.93Å; L808-Y815 HydrophobicContact CD1-CG 4.5Å
816	E	86.2	Confident	85.9	Confident	75 Å²	75	76.4 Å²	76.4	35%	0.35	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.3	176.5	-67.1	178.1	164.1	0	0	109.3	V807 N809 R812	V807-E816 PolarHBondContact N-O 2.87Å; V807-E816 PolarHBondContact O-N 2.98Å; N809-E816 HydrophobicContact CB-CG 4.33Å; N809-E816 PolarHBondContact ND2-OE2 2.81Å; R812-E816 WeakPolarHBondContact CD-OE1 3.45Å; R812-E816 IonicContact CZ-OE1 2.61Å; R812-E816 IonicContact NE-OE1 2.88Å; R812-E816 IonicContact NH1-OE1 3.82Å; R812-E816 PolarHBondContact NH1-OE1 3.37Å
817	V	87.3	Confident	86.1	Confident	50 Å²	50	76.8 Å²	76.8	30%	0.303	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.1	178.2	177.7	0	0	0	0	109.2	N803 P805 F819	N803-V817 HydrophobicContact CB-CG1 4.41Å; N803-V817 HydrophobicContact CB-CG2 4.3Å; N803-V817 VanDerWaalsContact O-CG1 3.28Å; N803-V817 WeakPolarHBondContact O-CG1 3.4Å; P805-V817 CarbonylContact O-C 3.35Å; P805-V817 WeakPolarHBondContact O-CA 3.45Å; V817-F819 HydrophobicContact CG1-CD1 4.3Å; V817-F819 HydrophobicContact CG1-CE1 3.91Å; V817-F819 HydrophobicContact CG1-CE2 4.22Å; V817-F819 HydrophobicContact CG1-CZ 3.86Å
818	N	89.7	Confident	86.1	Confident	68 Å²	68	77 Å²	77	36%	0.364	41%	0.41	S	S	.	.			trans	-114.8	97.9	178.1	-171.6	-18.2	0	0	0	111.3	P805 V807 G820 L821	P805-N818 PolarHBondContact O-N 3.44Å; V807-N818 HydrophobicContact CG2-CB 3.8Å; N818-G820 PolarHBondContact O-N 2.83Å; N818-G820 WeakPolarHBondContact OD1-CA 2.96Å; N818-G820 PolarHBondContact OD1-N 2.88Å; N818-L821 HydrophobicContact CB-CD1 4.21Å; N818-L821 HydrophobicContact CB-CG 4.3Å; N818-L821 PolarHBondContact O-N 3.01Å
819	F	86.5	Confident	86.2	Confident	117 Å²	117	74.3 Å²	74.3	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	176.9	-57.6	-74.2	0	0	0	113.9	N803 V817 L821 C822 L824	N803-F819 VanDerWaalsContact O-CE1 3.22Å; N803-F819 WeakPolarHBondContact O-CE1 3.23Å; V817-F819 HydrophobicContact CG1-CD1 4.3Å; V817-F819 HydrophobicContact CG1-CE1 3.91Å; V817-F819 HydrophobicContact CG1-CE2 4.22Å; V817-F819 HydrophobicContact CG1-CZ 3.86Å; F819-L821 VanDerWaalsContact C-N 3.31Å; F819-C822 CarbonylContact O-C 3.47Å; F819-C822 VanDerWaalsContact O-O 3.13Å; F819-L824 HydrophobicContact CD1-CD1 4.14Å; F819-L824 HydrophobicContact CD1-CG 3.94Å; F819-L824 HydrophobicContact CE1-CD1 3.79Å; F819-L824 HydrophobicContact CE1-CD2 4.18Å; F819-L824 HydrophobicContact CE1-CG 3.9Å
820	G	89.5	Confident	86.1	Confident	71 Å²	71	75.4 Å²	75.4	73%	0.732	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.4	178.4	0	0	0	0	0	113.8	N818	N818-G820 PolarHBondContact O-N 2.83Å; N818-G820 WeakPolarHBondContact OD1-CA 2.96Å; N818-G820 PolarHBondContact OD1-N 2.88Å
821	L	92.6	Very high	86.3	Confident	93 Å²	93	70.8 Å²	70.8	49%	0.487	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-30.9	177.4	-68.3	179	0	0	0	112.9	P805 V807 N818 F819	P805-L821 HydrophobicContact CB-CB 4.05Å; P805-L821 HydrophobicContact CB-CD1 4.16Å; P805-L821 HydrophobicContact CG-CB 4.02Å; V807-L821 HydrophobicContact CG2-CD1 3.48Å; V807-L821 VanDerWaalsContact CG2-CD1 3.48Å; N818-L821 HydrophobicContact CB-CD1 4.21Å; N818-L821 HydrophobicContact CB-CG 4.3Å; N818-L821 PolarHBondContact O-N 3.01Å; F819-L821 VanDerWaalsContact C-N 3.31Å
822	C	94.4	Very high	86.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.007	36%	0.364	C	S	.	.	S	Bend	trans	-155.7	124.3	175.9	-165.6	0	0	0	0	109.5	C786 M798 P805 F819 W827	C786-C822 VanDerWaalsContact CA-SG 3.54Å; C786-C822 HydrophobicContact CB-CB 3.77Å; C786-C822 WeakPolarHBondContact CB-SG 3.32Å; C786-C822 WeakPolarHBondContact SG-CB 3.28Å; C786-C822 CovalentContact SG-SG 2.03Å; C786-C822 PolarHBondContact SG-SG 3.33Å; M798-C822 HydrophobicContact CE-CB 3.97Å; P805-C822 HydrophobicContact CG-CB 3.53Å; F819-C822 CarbonylContact O-C 3.47Å; F819-C822 VanDerWaalsContact O-O 3.13Å; C822-W827 HydrophobicContact CB-CE3 4.09Å
823	P	91.3	Very high	87.7	Confident	81 Å²	81	56.9 Å²	56.9	53%	0.526	34%	0.336	S	S	.	.			trans	-59.1	143.1	170.1	-21.4	33.2	0	0	0	111.2	A825 S826 W827	P823-A825 PolarHBondContact O-N 3.49Å; P823-A825 VanDerWaalsContact O-N 3.15Å; P823-S826 PolarHBondContact O-N 3.07Å; P823-W827 PolarHBondContact O-N 3.47Å
824	L	88.2	Confident	88.1	Confident	99 Å²	99	57.1 Å²	57.1	52%	0.518	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-54.8	-34	178.3	-84.1	171.9	0	0	0	113.6	N803 F819 S826 W827	N803-L824 WeakPolarHBondContact O-CD2 3.22Å; F819-L824 HydrophobicContact CD1-CD1 4.14Å; F819-L824 HydrophobicContact CD1-CG 3.94Å; F819-L824 HydrophobicContact CE1-CD1 3.79Å; F819-L824 HydrophobicContact CE1-CD2 4.18Å; F819-L824 HydrophobicContact CE1-CG 3.9Å; L824-S826 PolarHBondContact O-N 3.12Å; L824-W827 PolarHBondContact O-N 3.11Å
825	A	89.8	Confident	88.6	Confident	87 Å²	87	56.3 Å²	56.3	72%	0.719	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.6	-21	179.2	0	0	0	0	0	113.6	P823	P823-A825 PolarHBondContact O-N 3.49Å; P823-A825 VanDerWaalsContact O-N 3.15Å
826	S	93	Very high	88.8	Confident	27 Å²	27	53 Å²	53	19%	0.189	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-105.7	4.4	178.8	-57.6	0	0	0	0	112.3	C786 D787 P823 L824 Y828	C786-S826 CarbonylContact C-O 3.52Å; C786-S826 WeakPolarHBondContact CA-O 3Å; D787-S826 PolarHBondContact N-O 3.38Å; D787-S826 WeakPolarHBondContact O-CB 3.18Å; P823-S826 PolarHBondContact O-N 3.07Å; L824-S826 PolarHBondContact O-N 3.12Å; S826-Y828 VanDerWaalsContact O-CD2 3.25Å; S826-Y828 WeakPolarHBondContact O-CD2 2.98Å
827	W	94.2	Very high	89.2	Confident	18 Å²	18	49.4 Å²	49.4	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.7	-175.2	-179.7	-107.5	0	0	0	111.5	G784 C786 M798 S801 P805 C822 P823 L824 V829	G784-W827 VanDerWaalsContact C-CZ3 3.47Å; G784-W827 VanDerWaalsContact O-CH2 3.28Å; G784-W827 WeakPolarHBondContact O-CH2 2.97Å; G784-W827 VanDerWaalsContact O-CZ3 3.32Å; G784-W827 WeakPolarHBondContact O-CZ3 3.32Å; C786-W827 HydrophobicContact CB-CE3 4.06Å; C786-W827 HydrophobicContact CB-CZ3 4.26Å; M798-W827 HydrophobicContact CB-CH2 4.38Å; M798-W827 HydrophobicContact CB-CZ3 4.28Å; M798-W827 HydrophobicContact CE-CZ3 4.06Å; S801-W827 PolarHBondContact O-NE1 3.06Å; P805-W827 HydrophobicContact CG-CD2 4.47Å; P805-W827 HydrophobicContact CG-CE3 4.01Å; P805-W827 HydrophobicContact CG-CH2 4.33Å; P805-W827 HydrophobicContact CG-CZ3 3.94Å; C822-W827 HydrophobicContact CB-CE3 4.09Å; P823-W827 PolarHBondContact O-N 3.47Å; L824-W827 PolarHBondContact O-N 3.11Å; W827-V829 HydrophobicContact CZ2-CG1 3.88Å; W827-V829 VanDerWaalsContact NE1-CG1 3.27Å
828	Y	91.5	Very high	89.5	Confident	65 Å²	65	47.6 Å²	47.6	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	-171	-69.9	-89.1	0	0	0	110.8	G784 W785 D787 S826 S831 P833	G784-Y828 CarbonylContact C-O 3.59Å; G784-Y828 WeakPolarHBondContact CA-O 3.04Å; W785-Y828 PolarHBondContact N-O 3.44Å; W785-Y828 PolarHBondContact O-N 2.59Å; D787-Y828 HydrophobicContact CB-CD2 4.15Å; D787-Y828 HydrophobicContact CB-CE2 3.79Å; S826-Y828 VanDerWaalsContact O-CD2 3.25Å; S826-Y828 WeakPolarHBondContact O-CD2 2.98Å; Y828-S831 WeakPolarHBondContact CB-O 3.29Å; Y828-S831 VanDerWaalsContact CD1-O 3.3Å; Y828-S831 WeakPolarHBondContact CD1-O 3.49Å; Y828-P833 HydrophobicContact CD1-CG 4.46Å; Y828-P833 HydrophobicContact CD2-CG 3.88Å; Y828-P833 HydrophobicContact CE1-CB 4.44Å; Y828-P833 HydrophobicContact CE1-CG 4.35Å; Y828-P833 HydrophobicContact CE2-CB 4.3Å; Y828-P833 HydrophobicContact CE2-CG 3.77Å; Y828-P833 HydrophobicContact CG-CG 4.24Å
829	V	87.3	Confident	89.7	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.085	29%	0.29	C	S	.	.	S	Bend	trans	-136	-14.4	-176.4	-71.7	0	0	0	0	114.7	T802 W827	T802-V829 HydrophobicContact CG2-CG2 4.18Å; W827-V829 HydrophobicContact CZ2-CG1 3.88Å; W827-V829 VanDerWaalsContact NE1-CG1 3.27Å
830	T	79.9	Confident	90.1	Very high	63 Å²	63	40.2 Å²	40.2	39%	0.387	27%	0.268	S	S	.	.	S	Bend	trans	-119.3	-32.8	-176.4	45.8	0	0	0	0	111.9	R62	R62-T830 HydrophobicContact CB-CG2 3.9Å
831	S	84.7	Confident	90.2	Very high	66 Å²	66	37.2 Å²	37.2	46%	0.462	24%	0.237	S	C	.	.	S	Bend	trans	-143.6	156.6	-177.4	54.8	0	0	0	0	108.4	Y828	Y828-S831 WeakPolarHBondContact CB-O 3.29Å; Y828-S831 VanDerWaalsContact CD1-O 3.3Å; Y828-S831 WeakPolarHBondContact CD1-O 3.49Å
832	C	88.7	Confident	90.2	Very high	20 Å²	20	39 Å²	39	14%	0.135	24%	0.241	C	C	.	.			trans	-89.7	160.1	176.8	-72.1	0	0	0	0	112.3	C773 D774	C773-C832 HydrophobicContact CB-CB 3.79Å; C773-C832 WeakPolarHBondContact CB-SG 3.43Å; C773-C832 WeakPolarHBondContact SG-CA 3.43Å; C773-C832 WeakPolarHBondContact SG-CB 3.38Å; C773-C832 CovalentContact SG-SG 2.03Å; C773-C832 PolarHBondContact SG-SG 3.26Å; D774-C832 PolarHBondContact N-SG 3.47Å; D774-C832 VanDerWaalsContact N-SG 3.43Å; D774-C832 PolarHBondContact OD1-SG 3.42Å
833	P	88.1	Confident	89.8	Confident	7 Å²	7	39.7 Å²	39.7	5%	0.045	25%	0.246	C	C	.	.			trans	-54.9	144	169.1	-14.4	23.8	0	0	0	109.8	D787 Y828 C835	D787-P833 HydrophobicContact CB-CG 4.07Å; Y828-P833 HydrophobicContact CD1-CG 4.46Å; Y828-P833 HydrophobicContact CD2-CG 3.88Å; Y828-P833 HydrophobicContact CE1-CB 4.44Å; Y828-P833 HydrophobicContact CE1-CG 4.35Å; Y828-P833 HydrophobicContact CE2-CB 4.3Å; Y828-P833 HydrophobicContact CE2-CG 3.77Å; Y828-P833 HydrophobicContact CG-CG 4.24Å; P833-C835 PolarHBondContact O-N 3.1Å; P833-C835 VanDerWaalsContact O-N 3.15Å
834	A	83.9	Confident	89.2	Confident	63 Å²	63	37.4 Å²	37.4	52%	0.521	23%	0.232	S	C	.	.	S	Bend	trans	-57.9	-34.3	-174.8	0	0	0	0	0	112.7	L856	A834-L856 HydrophobicContact CB-CD1 3.45Å; A834-L856 VanDerWaalsContact CB-CD1 3.45Å; A834-L856 WeakPolarHBondContact O-CD1 3.35Å; A834-L856 PolarHBondContact O-N 3.22Å; A834-L856 VanDerWaalsContact O-N 3.15Å
835	C	88.1	Confident	88.3	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.115	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-101.5	127.5	175	-164.9	0	0	0	0	112.3	G791 G793 P833 C837 C843	G791-C835 PolarHBondContact O-SG 3.05Å; G791-C835 VanDerWaalsContact O-SG 3.38Å; G793-C835 WeakPolarHBondContact CA-O 3.3Å; P833-C835 PolarHBondContact O-N 3.1Å; P833-C835 VanDerWaalsContact O-N 3.15Å; C835-C837 PolarHBondContact SG-SG 3.11Å; C835-C843 WeakPolarHBondContact CA-SG 2.95Å; C835-C843 HydrophobicContact CB-CB 3.64Å; C835-C843 WeakPolarHBondContact CB-SG 3.28Å; C835-C843 WeakPolarHBondContact SG-CB 2.99Å; C835-C843 PolarHBondContact SG-N 2.88Å; C835-C843 CovalentContact SG-SG 2.04Å; C835-C843 PolarHBondContact SG-SG 3.49Å
836	Q	90.2	Very high	86.7	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.051	25%	0.252	C	S	.	.			trans	-131.4	49.4	178.6	-68	-67.4	-73.5	0	0	112.2	C773 N838 L855 H869	C773-Q836 VanDerWaalsContact CB-OE1 3.29Å; Q836-N838 PolarHBondContact O-N 3.39Å; Q836-N838 VanDerWaalsContact O-N 3.1Å; Q836-N838 PolarHBondContact O-ND2 3.16Å; Q836-L855 HydrophobicContact CB-CD2 3.52Å; Q836-L855 HydrophobicContact CB-CG 4.43Å; Q836-L855 HydrophobicContact CG-CD1 4.41Å; Q836-L855 HydrophobicContact CG-CD2 3.66Å; Q836-L855 HydrophobicContact CG-CG 4.23Å; Q836-H869 WeakPolarHBondContact O-CB 3.41Å
837	C	93.8	Very high	84.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.273	C	S	.	.			trans	-78.1	17.8	-179.6	-60.4	0	0	0	0	115.3	T792 C835 G839 H840 G841 C843 C858 H869	T792-C837 CarbonylContact O-C 3.52Å; T792-C837 VanDerWaalsContact O-CA 3.27Å; T792-C837 WeakPolarHBondContact O-CA 3.44Å; T792-C837 WeakPolarHBondContact O-CB 3.1Å; T792-C837 PolarHBondContact O-N 3.07Å; C835-C837 PolarHBondContact SG-SG 3.11Å; C837-G839 PolarHBondContact O-N 3.43Å; C837-H840 PolarHBondContact O-N 3.02Å; C837-G841 VanDerWaalsContact CB-O 3.27Å; C837-G841 WeakPolarHBondContact CB-O 3.44Å; C837-C843 PolarHBondContact SG-SG 2.01Å; C837-C858 WeakPolarHBondContact CA-SG 3.46Å; C837-C858 HydrophobicContact CB-CB 4.1Å; C837-C858 WeakPolarHBondContact CB-SG 3.41Å; C837-C858 VanDerWaalsContact SG-CA 3.51Å; C837-C858 WeakPolarHBondContact SG-CB 3.48Å; C837-C858 CovalentContact SG-SG 2.01Å; C837-C858 PolarHBondContact SG-SG 3.3Å; C837-H869 CarbonylContact C-O 3.58Å; C837-H869 VanDerWaalsContact C-O 3.3Å; C837-H869 WeakPolarHBondContact CA-O 3.37Å
838	N	93.9	Very high	82.7	Confident	11 Å²	11	50 Å²	50	6%	0.059	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	25.9	178.8	-70.3	-78.5	0	0	0	114.9	T792 Q836 H840 H869 A881 L882 N883 G884	T792-N838 PolarHBondContact O-N 3.49Å; Q836-N838 PolarHBondContact O-N 3.39Å; Q836-N838 VanDerWaalsContact O-N 3.1Å; Q836-N838 PolarHBondContact O-ND2 3.16Å; N838-H840 VanDerWaalsContact C-N 3.29Å; N838-H840 PolarHBondContact O-CD2 3.14Å; N838-H840 PolarHBondContact O-N 3.48Å; N838-H869 PolarHBondContact ND2-O 3.07Å; N838-A881 WeakPolarHBondContact CB-O 3.32Å; N838-L882 WeakPolarHBondContact OD1-CA 3.2Å; N838-N883 PolarHBondContact OD1-N 2.88Å; N838-G884 WeakPolarHBondContact O-CA 3.48Å; N838-G884 PolarHBondContact O-N 3.27Å
839	G	94.1	Very high	80.4	Confident	22 Å²	22	55.9 Å²	55.9	23%	0.227	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	5.3	-175.7	0	0	0	0	0	115.7	T792 L794 C837	T792-G839 PolarHBondContact O-N 3.03Å; T792-G839 VanDerWaalsContact O-N 3.11Å; T792-G839 WeakPolarHBondContact OG1-CA 3.24Å; L794-G839 VanDerWaalsContact CG-CA 3.44Å; C837-G839 PolarHBondContact O-N 3.43Å
840	H	95.4	Very high	78.3	Confident	9 Å²	9	63.4 Å²	63.4	4%	0.042	36%	0.358	C	S	.	.	S	Bend	trans	-113.7	11.7	-175.3	-59	-48.8	0	0	0	113	C837 N838 C861 A862 N863 T865 C870 A881 G885	C837-H840 PolarHBondContact O-N 3.02Å; N838-H840 VanDerWaalsContact C-N 3.29Å; N838-H840 PolarHBondContact O-CD2 3.14Å; N838-H840 PolarHBondContact O-N 3.48Å; H840-C861 CarbonylContact O-C 3.59Å; H840-A862 WeakPolarHBondContact O-CB 3.37Å; H840-A862 PolarHBondContact O-N 3.39Å; H840-N863 WeakPolarHBondContact ND1-CB 3.35Å; H840-N863 PolarHBondContact ND1-OD1 3.37Å; H840-T865 HydrophobicContact CB-CG2 4.24Å; H840-T865 WeakPolarHBondContact CB-OG1 3.14Å; H840-C870 HydrophobicContact CB-CB 3.76Å; H840-A881 PolarHBondContact CD2-O 3.44Å; H840-A881 VanDerWaalsContact CD2-O 3.29Å; H840-A881 PolarHBondContact NE2-O 3.36Å; H840-G885 PolarHBondContact CE1-O 2.96Å; H840-G885 PolarHBondContact NE2-O 2.92Å
841	G	92.1	Very high	76.5	Confident	8 Å²	8	67.3 Å²	67.3	8%	0.082	37%	0.372	C	S	.	.			trans	-176.4	177.6	178.7	0	0	0	0	0	112.7	T792 C837 S860	T792-G841 WeakPolarHBondContact CA-O 3.38Å; T792-G841 WeakPolarHBondContact CB-O 3.41Å; T792-G841 WeakPolarHBondContact CG2-O 3.48Å; C837-G841 VanDerWaalsContact CB-O 3.27Å; C837-G841 WeakPolarHBondContact CB-O 3.44Å; G841-S860 WeakPolarHBondContact CA-O 3.38Å
842	F	91.4	Very high	74.5	Confident	129 Å²	129	70.1 Å²	70.1	57%	0.566	39%	0.389	S	S	*	.			trans	-122.2	147.5	172.5	-63	-84.9	0	0	0	109.2	T792 L859	T792-F842 HydrophobicContact CG2-CD1 3.87Å; T792-F842 HydrophobicContact CG2-CE1 3.42Å; T792-F842 VanDerWaalsContact CG2-CE1 3.42Å; T792-F842 HydrophobicContact CG2-CE2 4.42Å; T792-F842 HydrophobicContact CG2-CZ 3.73Å; F842-L859 WeakPolarHBondContact O-CB 3.49Å; F842-L859 PolarHBondContact O-N 3.34Å
843	C	86.5	Confident	72.5	Confident	17 Å²	17	72 Å²	72	12%	0.115	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-87	159	176.7	-57.5	0	0	0	0	111.1	C835 C837 L856	C835-C843 WeakPolarHBondContact CA-SG 2.95Å; C835-C843 HydrophobicContact CB-CB 3.64Å; C835-C843 WeakPolarHBondContact CB-SG 3.28Å; C835-C843 WeakPolarHBondContact SG-CB 2.99Å; C835-C843 PolarHBondContact SG-N 2.88Å; C835-C843 CovalentContact SG-SG 2.04Å; C835-C843 PolarHBondContact SG-SG 3.49Å; C837-C843 PolarHBondContact SG-SG 2.01Å; C843-L856 HydrophobicContact CB-CB 3.74Å; C843-L856 PolarHBondContact SG-O 2.85Å
844	S	78.2	Confident	70.9	Confident	32 Å²	32	78 Å²	78	22%	0.224	43%	0.427	C	S	.	.			trans	-63.8	149.7	170.8	50.4	0	0	0	0	110.7	L856	S844-L856 WeakPolarHBondContact O-CD2 3.4Å
845	N	68.8	Low	69.9	Low	169 Å²	169	77.5 Å²	77.5	90%	0.904	42%	0.415	S	S	*	.	S	Bend	trans	-82.9	-3.9	168.6	-81.4	-7	0	0	0	112.5	T847	N845-T847 PolarHBondContact O-N 3.47Å
846	E	57.6	Low	69.2	Low	163 Å²	163	78.4 Å²	78.4	76%	0.762	42%	0.419	S	S	*	.			trans	-71.4	99.1	172.7	-66.9	176.6	-175.3	0	0	107.4	A848 L856	E846-A848 PolarHBondContact O-N 2.97Å; E846-L856 WeakPolarHBondContact O-CD2 3.27Å
847	T	51.9	Low	68.7	Low	102 Å²	102	84 Å²	84	63%	0.626	44%	0.443	S	S	*	.			trans	-49.3	125	160.2	44.7	0	0	0	0	106.7	N845 E849	N845-T847 PolarHBondContact O-N 3.47Å; T847-E849 VanDerWaalsContact C-N 3.33Å; T847-E849 PolarHBondContact O-N 2.98Å
848	A	50.3	Low	68.5	Low	62 Å²	62	85.1 Å²	85.1	51%	0.512	45%	0.45	S	S	.	.			trans	-52.9	105	168.1	0	0	0	0	0	107.1	E846 E850	E846-A848 PolarHBondContact O-N 2.97Å; A848-E850 PolarHBondContact O-N 3.11Å; A848-E850 VanDerWaalsContact O-N 3.13Å
849	E	43.9	Very low	68.2	Low	188 Å²	188	90.5 Å²	90.5	88%	0.879	48%	0.478	S	S	*	.	S	Bend	trans	-68.9	-5.1	-179.8	-70.9	-171.8	160.1	0	0	111.2	T847	T847-E849 VanDerWaalsContact C-N 3.33Å; T847-E849 PolarHBondContact O-N 2.98Å
850	E	42.9	Very low	68	Low	172 Å²	172	93.5 Å²	93.5	80%	0.804	50%	0.496	S	S	*	.	S	Bend	trans	-123.1	107	175.6	-64.4	-179	168.6	0	0	108.1	A848	A848-E850 PolarHBondContact O-N 3.11Å; A848-E850 VanDerWaalsContact O-N 3.13Å
851	E	42	Very low	67.9	Low	145 Å²	145	95.2 Å²	95.2	68%	0.678	51%	0.509	S	S	*	.			trans	74.8	107.4	175.2	-60.6	-101.9	148	0	0	116.5	T853	E851-T853 PolarHBondContact O-N 3.48Å
852	P	43.3	Very low	68	Low	126 Å²	126	97.1 Å²	97.1	82%	0.818	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	7.2	-179.7	-18.4	30.4	0	0	0	116.4
853	T	47.3	Very low	68.1	Low	58 Å²	58	96 Å²	96	36%	0.356	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-14.8	-160.3	30	0	0	0	0	114.7	S48 E851	S48-T853 WeakPolarHBondContact OG-CG2 3.38Å; E851-T853 PolarHBondContact O-N 3.48Å
854	E	53.5	Low	68.5	Low	133 Å²	133	101.7 Å²	101.7	62%	0.621	54%	0.542	S	S	*	.	S	Bend	trans	-94.9	126.3	173.4	-75	-157.7	158	0	0	111.9	K857	E854-K857 IonicContact OE2-NZ 2.85Å
855	L	62.3	Low	69.4	Low	53 Å²	53	100.5 Å²	100.5	28%	0.277	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-48.2	139.1	167.3	-136.9	81.8	0	0	0	110.2	Q836 K857 H869	Q836-L855 HydrophobicContact CB-CD2 3.52Å; Q836-L855 HydrophobicContact CB-CG 4.43Å; Q836-L855 HydrophobicContact CG-CD1 4.41Å; Q836-L855 HydrophobicContact CG-CD2 3.66Å; Q836-L855 HydrophobicContact CG-CG 4.23Å; L855-K857 PolarHBondContact O-N 2.79Å; L855-H869 VanDerWaalsContact CD2-CE1 3.5Å; L855-H869 WeakPolarHBondContact CD2-CE1 3.27Å
856	L	73.3	Confident	70.6	Confident	36 Å²	36	95.8 Å²	95.8	19%	0.188	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-65.5	131.7	-178.9	-73.4	102.9	0	0	0	110.9	A834 C843 S844 E846 H869	A834-L856 HydrophobicContact CB-CD1 3.45Å; A834-L856 VanDerWaalsContact CB-CD1 3.45Å; A834-L856 WeakPolarHBondContact O-CD1 3.35Å; A834-L856 PolarHBondContact O-N 3.22Å; A834-L856 VanDerWaalsContact O-N 3.15Å; C843-L856 HydrophobicContact CB-CB 3.74Å; C843-L856 PolarHBondContact SG-O 2.85Å; S844-L856 WeakPolarHBondContact O-CD2 3.4Å; E846-L856 WeakPolarHBondContact O-CD2 3.27Å; L856-H869 PolarHBondContact O-CE1 3.49Å
857	K	80.3	Confident	72.1	Confident	130 Å²	130	89.5 Å²	89.5	57%	0.565	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-69.3	142.6	176.4	-67.6	174.7	-175.5	161.2	0	110.1	E854 L855	E854-K857 IonicContact OE2-NZ 2.85Å; L855-K857 PolarHBondContact O-N 2.79Å
858	C	89.2	Confident	73.9	Confident	22 Å²	22	87 Å²	87	15%	0.149	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-70.9	132.2	175.7	-59.8	0	0	0	0	110.9	C837 S860 A868 H869	C837-C858 WeakPolarHBondContact CA-SG 3.46Å; C837-C858 HydrophobicContact CB-CB 4.1Å; C837-C858 WeakPolarHBondContact CB-SG 3.41Å; C837-C858 VanDerWaalsContact SG-CA 3.51Å; C837-C858 WeakPolarHBondContact SG-CB 3.48Å; C837-C858 CovalentContact SG-SG 2.01Å; C837-C858 PolarHBondContact SG-SG 3.3Å; C858-S860 PolarHBondContact O-N 2.69Å; C858-A868 PolarHBondContact N-O 3.2Å; C858-A868 VanDerWaalsContact N-O 3.11Å; C858-A868 PolarHBondContact SG-O 3.49Å; C858-H869 VanDerWaalsContact SG-CA 3.54Å
859	L	88.6	Confident	75.8	Confident	124 Å²	124	86.2 Å²	86.2	65%	0.649	47%	0.466	S	S	*	.	S	Bend	trans	-63.5	-41.4	-180	-72.2	171	0	0	0	112.2	F842	F842-L859 WeakPolarHBondContact O-CB 3.49Å; F842-L859 PolarHBondContact O-N 3.34Å
860	S	89.6	Confident	78.2	Confident	86 Å²	86	77.3 Å²	77.3	60%	0.601	42%	0.424	S	S	*	.			trans	-156.3	148.2	174.1	60.5	0	0	0	0	110.2	G841 C858	G841-S860 WeakPolarHBondContact CA-O 3.38Å; C858-S860 PolarHBondContact O-N 2.69Å
861	C	93.3	Very high	80.6	Confident	45 Å²	45	71.1 Å²	71.1	30%	0.304	40%	0.395	S	S	.	.			trans	-100.3	124.5	176.4	-64.7	0	0	0	0	111	H840 T865 C870	H840-C861 CarbonylContact O-C 3.59Å; C861-T865 WeakPolarHBondContact CB-O 3.21Å; C861-T865 WeakPolarHBondContact CB-OG1 3.19Å; C861-C870 WeakPolarHBondContact CA-SG 3.19Å; C861-C870 HydrophobicContact CB-CB 3.79Å; C861-C870 WeakPolarHBondContact CB-SG 3.47Å; C861-C870 WeakPolarHBondContact SG-CA 3.48Å; C861-C870 WeakPolarHBondContact SG-CB 3.35Å; C861-C870 CovalentContact SG-SG 2.04Å; C861-C870 PolarHBondContact SG-SG 2.85Å
862	A	94.2	Very high	83.1	Confident	47 Å²	47	71.4 Å²	71.4	39%	0.388	39%	0.39	S	S	.	.			trans	-94.6	-175.5	175.1	0	0	0	0	0	110.6	H840 R864 T865	H840-A862 WeakPolarHBondContact O-CB 3.37Å; H840-A862 PolarHBondContact O-N 3.39Å; A862-R864 PolarHBondContact O-N 2.57Å; A862-T865 PolarHBondContact O-N 2.87Å; A862-T865 PolarHBondContact O-OG1 3.43Å
863	N	94.1	Very high	85.5	Confident	106 Å²	106	66 Å²	66	57%	0.567	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	26	172.3	-58.7	86	0	0	0	115.4	H840	H840-N863 WeakPolarHBondContact ND1-CB 3.35Å; H840-N863 PolarHBondContact ND1-OD1 3.37Å
864	R	94.9	Very high	87.7	Confident	137 Å²	137	66 Å²	66	52%	0.517	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	41.1	178.6	-39.2	178.4	-161.6	-86.1	-6.6	111.9	A862 I874 Y877 C887	A862-R864 PolarHBondContact O-N 2.57Å; R864-I874 HydrophobicContact CB-CD1 3.79Å; R864-I874 HydrophobicContact CB-CG1 3.9Å; R864-I874 WeakPolarHBondContact O-CG1 3.06Å; R864-I874 PolarHBondContact O-N 3.2Å; R864-Y877 HydrophobicContact CB-CD1 4.3Å; R864-Y877 HydrophobicContact CB-CD2 4.45Å; R864-Y877 HydrophobicContact CB-CG 4.28Å; R864-Y877 VanDerWaalsContact CD-CD1 3.44Å; R864-Y877 HydrophobicContact CG-CE1 4.36Å; R864-Y877 PolarHBondContact NH1-OH 3.21Å; R864-C887 HydrophobicContact CB-CB 4.37Å
865	T	95.6	Very high	89.5	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.037	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	159.7	177.5	62	0	0	0	0	111.5	H840 C861 A862 C870 R872 I874 A881	H840-T865 HydrophobicContact CB-CG2 4.24Å; H840-T865 WeakPolarHBondContact CB-OG1 3.14Å; C861-T865 WeakPolarHBondContact CB-O 3.21Å; C861-T865 WeakPolarHBondContact CB-OG1 3.19Å; A862-T865 PolarHBondContact O-N 2.87Å; A862-T865 PolarHBondContact O-OG1 3.43Å; T865-C870 WeakPolarHBondContact CB-O 3.45Å; T865-C870 WeakPolarHBondContact OG1-CB 3.49Å; T865-R872 CarbonylContact C-O 3.6Å; T865-R872 WeakPolarHBondContact CA-O 3.14Å; T865-R872 WeakPolarHBondContact CB-O 3.02Å; T865-I874 VanDerWaalsContact C-CG2 3.43Å; T865-I874 WeakPolarHBondContact O-CG2 3.49Å; T865-A881 HydrophobicContact CG2-CB 3.76Å
866	T	93.7	Very high	90.9	Very high	70 Å²	70	65.3 Å²	65.3	43%	0.429	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	170.4	-178	-167.9	0	0	0	0	109.5	C870 E871 R872 C873 I874	T866-C870 CarbonylContact O-C 3.59Å; T866-E871 PolarHBondContact O-N 3.31Å; T866-R872 HydrophobicContact CG2-CB 4.25Å; T866-R872 PolarHBondContact N-O 3.27Å; T866-R872 PolarHBondContact O-N 2.76Å; T866-R872 VanDerWaalsContact O-N 3.07Å; T866-C873 WeakPolarHBondContact CG2-O 3.44Å; T866-I874 HydrophobicContact CG2-CG2 4.26Å
867	G	90.2	Very high	91.9	Very high	31 Å²	31	66.2 Å²	66.2	32%	0.32	36%	0.355	S	S	.	.	S	Bend	trans	108.6	170	-172	0	0	0	0	0	111.8	H869 C870 E871	G867-H869 PolarHBondContact O-N 3.2Å; G867-C870 PolarHBondContact O-N 3.45Å; G867-E871 WeakPolarHBondContact CA-OE2 3.39Å
868	A	88.7	Confident	92.5	Very high	51 Å²	51	62.9 Å²	62.9	42%	0.421	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.3	-179.9	0	0	0	0	0	112.3	C858 E871	C858-A868 PolarHBondContact N-O 3.2Å; C858-A868 VanDerWaalsContact N-O 3.11Å; C858-A868 PolarHBondContact SG-O 3.49Å; A868-E871 PolarHBondContact N-OE2 3.24Å
869	H	91.9	Very high	92.7	Very high	45 Å²	45	62.7 Å²	62.7	21%	0.208	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	19.4	-175.1	-64.3	-52.5	0	0	0	112.2	Q836 C837 N838 L855 L856 C858 G867 E871	Q836-H869 WeakPolarHBondContact O-CB 3.41Å; C837-H869 CarbonylContact C-O 3.58Å; C837-H869 VanDerWaalsContact C-O 3.3Å; C837-H869 WeakPolarHBondContact CA-O 3.37Å; N838-H869 PolarHBondContact ND2-O 3.07Å; L855-H869 VanDerWaalsContact CD2-CE1 3.5Å; L855-H869 WeakPolarHBondContact CD2-CE1 3.27Å; L856-H869 PolarHBondContact O-CE1 3.49Å; C858-H869 VanDerWaalsContact SG-CA 3.54Å; G867-H869 PolarHBondContact O-N 3.2Å; H869-E871 VanDerWaalsContact C-OE2 3.26Å; H869-E871 VanDerWaalsContact CA-OE2 3.32Å; H869-E871 WeakPolarHBondContact CA-OE2 3.15Å; H869-E871 WeakPolarHBondContact CB-OE2 3.32Å; H869-E871 PolarHBondContact N-OE2 2.97Å; H869-E871 PolarHBondContact O-N 2.76Å; H869-E871 VanDerWaalsContact O-N 3.16Å
870	C	94	Very high	92.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	54	32.5	-177.6	-50.1	0	0	0	0	113.2	H840 C861 T865 T866 G867	H840-C870 HydrophobicContact CB-CB 3.76Å; C861-C870 WeakPolarHBondContact CA-SG 3.19Å; C861-C870 HydrophobicContact CB-CB 3.79Å; C861-C870 WeakPolarHBondContact CB-SG 3.47Å; C861-C870 WeakPolarHBondContact SG-CA 3.48Å; C861-C870 WeakPolarHBondContact SG-CB 3.35Å; C861-C870 CovalentContact SG-SG 2.04Å; C861-C870 PolarHBondContact SG-SG 2.85Å; T865-C870 WeakPolarHBondContact CB-O 3.45Å; T865-C870 WeakPolarHBondContact OG1-CB 3.49Å; T866-C870 CarbonylContact O-C 3.59Å; G867-C870 PolarHBondContact O-N 3.45Å
871	E	92.3	Very high	93.1	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	30%	0.302	C	S	.	.			trans	-89.2	-3.1	-167.8	76.3	-71.8	171.4	0	0	114.2	T866 G867 A868 H869 L882	T866-E871 PolarHBondContact O-N 3.31Å; G867-E871 WeakPolarHBondContact CA-OE2 3.39Å; A868-E871 PolarHBondContact N-OE2 3.24Å; H869-E871 VanDerWaalsContact C-OE2 3.26Å; H869-E871 VanDerWaalsContact CA-OE2 3.32Å; H869-E871 WeakPolarHBondContact CA-OE2 3.15Å; H869-E871 WeakPolarHBondContact CB-OE2 3.32Å; H869-E871 PolarHBondContact N-OE2 2.97Å; H869-E871 PolarHBondContact O-N 2.76Å; H869-E871 VanDerWaalsContact O-N 3.16Å; E871-L882 HydrophobicContact CB-CD2 3.8Å
872	R	94.1	Very high	93.2	Very high	151 Å²	151	56.9 Å²	56.9	57%	0.57	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	155	180	-54.2	-179.9	-152.3	173	4.2	110.7	T865 T866	T865-R872 CarbonylContact C-O 3.6Å; T865-R872 WeakPolarHBondContact CA-O 3.14Å; T865-R872 WeakPolarHBondContact CB-O 3.02Å; T866-R872 HydrophobicContact CG2-CB 4.25Å; T866-R872 PolarHBondContact N-O 3.27Å; T866-R872 PolarHBondContact O-N 2.76Å; T866-R872 VanDerWaalsContact O-N 3.07Å
873	C	94.9	Very high	93.2	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.5	169.3	-62.3	0	0	0	0	111.1	T866 Y877 C887	T866-C873 WeakPolarHBondContact CG2-O 3.44Å; C873-Y877 WeakPolarHBondContact CB-O 3.48Å; C873-C887 WeakPolarHBondContact CA-SG 3.34Å; C873-C887 HydrophobicContact CB-CB 3.76Å; C873-C887 WeakPolarHBondContact CB-SG 3.28Å; C873-C887 VanDerWaalsContact SG-CA 3.52Å; C873-C887 WeakPolarHBondContact SG-CB 3.43Å; C873-C887 CovalentContact SG-SG 2.04Å; C873-C887 PolarHBondContact SG-SG 3.25Å
874	I	94.2	Very high	93.1	Very high	59 Å²	59	53.3 Å²	53.3	30%	0.303	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.7	160.2	171.8	65.7	175	0	0	0	109.8	R864 T865 T866 G876 Y877	R864-I874 HydrophobicContact CB-CD1 3.79Å; R864-I874 HydrophobicContact CB-CG1 3.9Å; R864-I874 WeakPolarHBondContact O-CG1 3.06Å; R864-I874 PolarHBondContact O-N 3.2Å; T865-I874 VanDerWaalsContact C-CG2 3.43Å; T865-I874 WeakPolarHBondContact O-CG2 3.49Å; T866-I874 HydrophobicContact CG2-CG2 4.26Å; I874-G876 PolarHBondContact O-N 3.19Å; I874-Y877 HydrophobicContact CD1-CD2 3.83Å; I874-Y877 HydrophobicContact CD1-CE2 3.97Å; I874-Y877 HydrophobicContact CG1-CD2 3.55Å; I874-Y877 HydrophobicContact CG1-CE2 4.22Å; I874-Y877 HydrophobicContact CG1-CG 4.2Å; I874-Y877 PolarHBondContact O-N 3.29Å
875	E	90.5	Very high	93.1	Very high	149 Å²	149	47.6 Å²	47.6	70%	0.696	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.7	174.4	-171.6	172.8	-159.3	0	0	112.3	Y877 H898	E875-Y877 VanDerWaalsContact C-N 3.3Å; E875-H898 IonicContact OE1-CE1 2.79Å; E875-H898 PolarHBondContact OE1-CE1 2.66Å; E875-H898 IonicContact OE1-ND1 2.8Å; E875-H898 PolarHBondContact OE1-ND1 2.04Å; E875-H898 IonicContact OE1-NE2 3.98Å
876	G	90.9	Very high	93.1	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	1.5	-174.4	0	0	0	0	0	114.6	I874 C890	I874-G876 PolarHBondContact O-N 3.19Å; G876-C890 PolarHBondContact O-N 3.45Å; G876-C890 PolarHBondContact O-SG 2.79Å
877	Y	94.1	Very high	93.2	Very high	54 Å²	54	49.6 Å²	49.6	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.9	173	-68	-100.2	0	0	0	110.4	R864 C873 I874 E875 T888 A889	R864-Y877 HydrophobicContact CB-CD1 4.3Å; R864-Y877 HydrophobicContact CB-CD2 4.45Å; R864-Y877 HydrophobicContact CB-CG 4.28Å; R864-Y877 VanDerWaalsContact CD-CD1 3.44Å; R864-Y877 HydrophobicContact CG-CE1 4.36Å; R864-Y877 PolarHBondContact NH1-OH 3.21Å; C873-Y877 WeakPolarHBondContact CB-O 3.48Å; I874-Y877 HydrophobicContact CD1-CD2 3.83Å; I874-Y877 HydrophobicContact CD1-CE2 3.97Å; I874-Y877 HydrophobicContact CG1-CD2 3.55Å; I874-Y877 HydrophobicContact CG1-CE2 4.22Å; I874-Y877 HydrophobicContact CG1-CG 4.2Å; I874-Y877 PolarHBondContact O-N 3.29Å; E875-Y877 VanDerWaalsContact C-N 3.3Å; Y877-T888 CarbonylContact C-O 3.51Å; Y877-T888 WeakPolarHBondContact CA-O 3.35Å; Y877-T888 WeakPolarHBondContact CB-O 3.11Å; Y877-T888 VanDerWaalsContact CD1-C 3.45Å; Y877-A889 VanDerWaalsContact CD1-CA 3.44Å; Y877-A889 HydrophobicContact CD1-CB 4.01Å; Y877-A889 VanDerWaalsContact CD1-N 3.35Å; Y877-A889 HydrophobicContact CE1-CB 3.56Å
878	Y	93.7	Very high	93.4	Very high	61 Å²	61	51.3 Å²	51.3	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.5	178.3	74.8	-83	0	0	0	111.7	T888 A889 D900 P901 H903	Y878-T888 WeakPolarHBondContact CD1-O 3.45Å; Y878-T888 HydrophobicContact CE1-CG2 4.22Å; Y878-T888 PolarHBondContact N-O 3.36Å; Y878-T888 PolarHBondContact O-N 3.31Å; Y878-A889 WeakPolarHBondContact CE1-O 3.46Å; Y878-D900 VanDerWaalsContact CB-O 3.29Å; Y878-D900 WeakPolarHBondContact CB-O 3.18Å; Y878-P901 CarbonylContact C-O 3.54Å; Y878-P901 WeakPolarHBondContact CA-O 3.41Å; Y878-P901 WeakPolarHBondContact CB-O 3.02Å; Y878-H903 VanDerWaalsContact CD2-C 3.45Å; Y878-H903 WeakPolarHBondContact CD2-O 3.02Å; Y878-H903 WeakPolarHBondContact CE2-O 3.49Å
879	G	93.8	Very high	93.6	Very high	17 Å²	17	50.9 Å²	50.9	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.3	-167.3	177	0	0	0	0	0	112.1	P901	G879-P901 PolarHBondContact N-O 2.91Å
880	N	93	Very high	93.6	Very high	82 Å²	82	50 Å²	50	44%	0.439	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115	173.2	-175.3	-0.9	0	0	0	108.3	L771 L882 G885 V886	L771-N880 WeakPolarHBondContact CD1-ND2 3.36Å; N880-L882 VanDerWaalsContact OD1-CB 3.24Å; N880-L882 WeakPolarHBondContact OD1-CB 3.2Å; N880-L882 WeakPolarHBondContact OD1-CG 3.48Å; N880-L882 PolarHBondContact OD1-N 2.71Å; N880-G885 CarbonylContact O-C 3.44Å; N880-G885 WeakPolarHBondContact O-CA 3.33Å; N880-V886 PolarHBondContact O-N 3.11Å
881	A	93.9	Very high	93.5	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	31%	0.31	C	S	.	.			trans	-90.8	1	179.3	0	0	0	0	0	113.1	N838 H840 T865	N838-A881 WeakPolarHBondContact CB-O 3.32Å; H840-A881 PolarHBondContact CD2-O 3.44Å; H840-A881 VanDerWaalsContact CD2-O 3.29Å; H840-A881 PolarHBondContact NE2-O 3.36Å; T865-A881 HydrophobicContact CG2-CB 3.76Å
882	L	93.7	Very high	93.6	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.267	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	139	-177.7	-59.1	174.7	0	0	0	111.2	L771 T772 N838 E871 N880 G884 G885	L771-L882 HydrophobicContact CB-CB 4.05Å; L771-L882 HydrophobicContact CD1-CB 4.31Å; T772-L882 HydrophobicContact CG2-CD1 4.15Å; T772-L882 HydrophobicContact CG2-CD2 3.95Å; T772-L882 HydrophobicContact CG2-CG 4.48Å; N838-L882 WeakPolarHBondContact OD1-CA 3.2Å; E871-L882 HydrophobicContact CB-CD2 3.8Å; N880-L882 VanDerWaalsContact OD1-CB 3.24Å; N880-L882 WeakPolarHBondContact OD1-CB 3.2Å; N880-L882 WeakPolarHBondContact OD1-CG 3.48Å; N880-L882 PolarHBondContact OD1-N 2.71Å; L882-G884 PolarHBondContact O-N 3.08Å; L882-G885 PolarHBondContact O-N 3.24Å; L882-G885 VanDerWaalsContact O-N 3.14Å
883	N	94.5	Very high	93.4	Very high	37 Å²	37	50.9 Å²	50.9	20%	0.198	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	51.4	171.4	-157.7	33.9	0	0	0	115.5	L771 L794 G795 N838	L771-N883 HydrophobicContact CB-CB 4.12Å; L771-N883 VanDerWaalsContact O-CB 3.27Å; L771-N883 WeakPolarHBondContact O-CB 3.17Å; L794-N883 WeakPolarHBondContact CA-OD1 3.43Å; G795-N883 PolarHBondContact N-OD1 2.69Å; G795-N883 PolarHBondContact O-ND2 3.38Å; G795-N883 PolarHBondContact O-OD1 3.45Å; N838-N883 PolarHBondContact OD1-N 2.88Å
884	G	93.5	Very high	93.1	Very high	40 Å²	40	54 Å²	54	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	82.8	19.3	178.9	0	0	0	0	0	113.5	L794 N838 L882	L794-G884 VanDerWaalsContact CD2-N 3.26Å; N838-G884 WeakPolarHBondContact O-CA 3.48Å; N838-G884 PolarHBondContact O-N 3.27Å; L882-G884 PolarHBondContact O-N 3.08Å
885	G	94	Very high	92.9	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	32%	0.318	C	S	.	.			trans	-62.5	173.8	176.4	0	0	0	0	0	113.8	H840 N880 L882	H840-G885 PolarHBondContact CE1-O 2.96Å; H840-G885 PolarHBondContact NE2-O 2.92Å; N880-G885 CarbonylContact O-C 3.44Å; N880-G885 WeakPolarHBondContact O-CA 3.33Å; L882-G885 PolarHBondContact O-N 3.24Å; L882-G885 VanDerWaalsContact O-N 3.14Å
886	V	94.9	Very high	92.8	Very high	107 Å²	107	45.8 Å²	45.8	65%	0.648	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.6	-172.4	-177.5	0	0	0	0	110.5	N880	N880-V886 PolarHBondContact O-N 3.11Å
887	C	95.7	Very high	92.4	Very high	11 Å²	11	49 Å²	49	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.3	173.3	-66.6	0	0	0	0	111	R864 C873	R864-C887 HydrophobicContact CB-CB 4.37Å; C873-C887 WeakPolarHBondContact CA-SG 3.34Å; C873-C887 HydrophobicContact CB-CB 3.76Å; C873-C887 WeakPolarHBondContact CB-SG 3.28Å; C873-C887 VanDerWaalsContact SG-CA 3.52Å; C873-C887 WeakPolarHBondContact SG-CB 3.43Å; C873-C887 CovalentContact SG-SG 2.04Å; C873-C887 PolarHBondContact SG-SG 3.25Å
888	T	94.9	Very high	92	Very high	67 Å²	67	49.7 Å²	49.7	41%	0.411	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.3	-178.6	-55.5	0	0	0	0	110	Y877 Y878	Y877-T888 CarbonylContact C-O 3.51Å; Y877-T888 WeakPolarHBondContact CA-O 3.35Å; Y877-T888 WeakPolarHBondContact CB-O 3.11Å; Y877-T888 VanDerWaalsContact CD1-C 3.45Å; Y878-T888 WeakPolarHBondContact CD1-O 3.45Å; Y878-T888 HydrophobicContact CE1-CG2 4.22Å; Y878-T888 PolarHBondContact N-O 3.36Å; Y878-T888 PolarHBondContact O-N 3.31Å
889	A	93.2	Very high	91.9	Very high	43 Å²	43	47.3 Å²	47.3	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	141.7	-179.3	0	0	0	0	0	111.2	Y877 Y878 E891	Y877-A889 VanDerWaalsContact CD1-CA 3.44Å; Y877-A889 HydrophobicContact CD1-CB 4.01Å; Y877-A889 VanDerWaalsContact CD1-N 3.35Å; Y877-A889 HydrophobicContact CE1-CB 3.56Å; Y878-A889 WeakPolarHBondContact CE1-O 3.46Å; A889-E891 PolarHBondContact O-N 3.46Å
890	C	92.6	Very high	91.7	Very high	26 Å²	26	48 Å²	48	18%	0.176	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.7	125.7	171.6	-59.6	0	0	0	0	110.6	G876 C892 C899	G876-C890 PolarHBondContact O-N 3.45Å; G876-C890 PolarHBondContact O-SG 2.79Å; C890-C892 PolarHBondContact O-N 2.8Å; C890-C899 HydrophobicContact CB-CB 3.69Å; C890-C899 WeakPolarHBondContact CB-SG 3.49Å; C890-C899 WeakPolarHBondContact SG-CB 3.29Å; C890-C899 CovalentContact SG-SG 2.02Å; C890-C899 PolarHBondContact SG-SG 2.92Å
891	E	92.4	Very high	91.5	Very high	136 Å²	136	46.8 Å²	46.8	64%	0.636	30%	0.298	S	S	*	.			trans	-101.5	71.4	177.7	-68.8	-168.6	172.3	0	0	111.9	A889 N893 N917	A889-E891 PolarHBondContact O-N 3.46Å; E891-N893 PolarHBondContact O-N 3.17Å; E891-N917 WeakPolarHBondContact O-CB 3.3Å; E891-N917 PolarHBondContact O-OD1 3.06Å
892	C	92.9	Very high	91.1	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.047	33%	0.328	C	S	.	.			trans	-94.9	19.1	-173.4	-52.9	0	0	0	0	115.3	C890 G894 Q895 A896 C906 N917	C890-C892 PolarHBondContact O-N 2.8Å; C892-G894 PolarHBondContact O-N 2.77Å; C892-Q895 PolarHBondContact O-N 2.83Å; C892-A896 HydrophobicContact CB-CB 3.62Å; C892-C906 WeakPolarHBondContact CA-SG 3.28Å; C892-C906 HydrophobicContact CB-CB 3.72Å; C892-C906 WeakPolarHBondContact CB-SG 3.45Å; C892-C906 WeakPolarHBondContact SG-CB 3.41Å; C892-C906 CovalentContact SG-SG 2.03Å; C892-C906 PolarHBondContact SG-SG 3.11Å; C892-N917 CarbonylContact C-O 3.54Å
893	N	91.1	Very high	91	Very high	69 Å²	69	57.3 Å²	57.3	37%	0.369	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	29.4	-180	-62.8	-68.2	0	0	0	115	E891 Q895 N917	E891-N893 PolarHBondContact O-N 3.17Å; N893-Q895 PolarHBondContact O-N 2.58Å; N893-N917 PolarHBondContact ND2-O 2.91Å
894	G	87.7	Confident	90.8	Very high	77 Å²	77	55.6 Å²	55.6	79%	0.794	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	6.9	-175.1	0	0	0	0	0	115.4	C892	C892-G894 PolarHBondContact O-N 2.77Å
895	Q	89.9	Confident	90.8	Very high	21 Å²	21	57.1 Å²	57.1	10%	0.098	33%	0.331	C	S	.	.	S	Bend	trans	-96.6	-8.7	-179.7	-59.3	-61.4	-29.6	0	0	113.7	C892 N893 N909 V913 C918 P929 Q932	C892-Q895 PolarHBondContact O-N 2.83Å; N893-Q895 PolarHBondContact O-N 2.58Å; Q895-N909 WeakPolarHBondContact O-CB 3.01Å; Q895-N909 PolarHBondContact O-N 2.04Å; Q895-V913 HydrophobicContact CB-CG1 4.19Å; Q895-V913 HydrophobicContact CG-CG1 4.22Å; Q895-C918 HydrophobicContact CB-CB 3.56Å; Q895-C918 HydrophobicContact CG-CB 4.34Å; Q895-P929 HydrophobicContact CG-CB 4.05Å; Q895-P929 PolarHBondContact NE2-O 3.35Å; Q895-Q932 PolarHBondContact NE2-O 2.81Å
896	A	88.9	Confident	90.7	Very high	14 Å²	14	56.5 Å²	56.5	12%	0.116	32%	0.324	C	S	.	.			trans	-140.9	152.5	170.8	0	0	0	0	0	110.1	C892 C906 Y907	C892-A896 HydrophobicContact CB-CB 3.62Å; A896-C906 HydrophobicContact CB-CB 4.11Å; A896-Y907 WeakPolarHBondContact CB-O 3.02Å
897	T	82.3	Confident	90.5	Very high	90 Å²	90	55 Å²	55	55%	0.552	31%	0.307	S	S	*	.	S	Bend	trans	-97.3	-21.8	171.8	42.6	0	0	0	0	112.3
898	H	86.4	Confident	90.3	Very high	70 Å²	70	55.5 Å²	55.5	32%	0.324	31%	0.311	S	S	.	.			trans	-127.5	145.7	-176.5	-44.8	-71.3	0	0	0	109.9	E875 Y907	E875-H898 IonicContact OE1-CE1 2.79Å; E875-H898 PolarHBondContact OE1-CE1 2.66Å; E875-H898 IonicContact OE1-ND1 2.8Å; E875-H898 PolarHBondContact OE1-ND1 2.04Å; E875-H898 IonicContact OE1-NE2 3.98Å; H898-Y907 HydrophobicContact CB-CD2 4.17Å; H898-Y907 PolarHBondContact O-N 2.84Å; H898-Y907 VanDerWaalsContact O-N 3.09Å
899	C	91.4	Very high	90.1	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.068	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-127.7	163.4	167.2	76.1	0	0	0	0	109.7	C890 G904 Q905 C906	C890-C899 HydrophobicContact CB-CB 3.69Å; C890-C899 WeakPolarHBondContact CB-SG 3.49Å; C890-C899 WeakPolarHBondContact SG-CB 3.29Å; C890-C899 CovalentContact SG-SG 2.02Å; C890-C899 PolarHBondContact SG-SG 2.92Å; C899-G904 WeakPolarHBondContact CB-O 3.23Å; C899-Q905 CarbonylContact C-O 3.6Å; C899-Q905 VanDerWaalsContact CA-O 3.28Å; C899-Q905 WeakPolarHBondContact CA-O 3.19Å; C899-Q905 WeakPolarHBondContact CB-O 3.08Å; C899-C906 HydrophobicContact CB-CB 4.49Å
900	D	90	Very high	90	Very high	31 Å²	31	51.8 Å²	51.8	17%	0.166	28%	0.283	C	S	.	.			trans	-54.7	122.6	173.8	-178.2	-101.1	0	0	0	109.8	Y878 F902 H903 G904 Q905 Y907	Y878-D900 VanDerWaalsContact CB-O 3.29Å; Y878-D900 WeakPolarHBondContact CB-O 3.18Å; D900-F902 PolarHBondContact O-N 2.04Å; D900-F902 VanDerWaalsContact O-N 3.17Å; D900-F902 PolarHBondContact OD1-N 3.07Å; D900-H903 WeakPolarHBondContact OD1-CB 3.18Å; D900-H903 IonicContact OD1-CG 3.77Å; D900-H903 PolarHBondContact OD1-N 3.25Å; D900-H903 IonicContact OD1-ND1 3.51Å; D900-H903 PolarHBondContact OD1-ND1 3.33Å; D900-G904 VanDerWaalsContact O-CA 3.23Å; D900-G904 WeakPolarHBondContact O-CA 3.18Å; D900-G904 PolarHBondContact O-N 2.83Å; D900-Q905 HydrophobicContact CB-CB 4.16Å; D900-Q905 PolarHBondContact N-O 2.64Å; D900-Y907 PolarHBondContact OD2-OH 3.38Å
901	P	88	Confident	89.8	Confident	57 Å²	57	52.4 Å²	52.4	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.6	-170.4	26.2	-34.5	0	0	0	113.8	Y878 G879	Y878-P901 CarbonylContact C-O 3.54Å; Y878-P901 WeakPolarHBondContact CA-O 3.41Å; Y878-P901 WeakPolarHBondContact CB-O 3.02Å; G879-P901 PolarHBondContact N-O 2.91Å
902	F	85.8	Confident	89.7	Confident	142 Å²	142	46 Å²	46	62%	0.623	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-47.3	-179.9	-64.2	-77.3	0	0	0	112	D900	D900-F902 PolarHBondContact O-N 2.04Å; D900-F902 VanDerWaalsContact O-N 3.17Å; D900-F902 PolarHBondContact OD1-N 3.07Å
903	H	90.2	Very high	89.6	Confident	131 Å²	131	45.9 Å²	45.9	61%	0.606	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-39.1	-174.6	-55.3	92	0	0	0	111.6	Y878 D900 Y916	Y878-H903 VanDerWaalsContact CD2-C 3.45Å; Y878-H903 WeakPolarHBondContact CD2-O 3.02Å; Y878-H903 WeakPolarHBondContact CE2-O 3.49Å; D900-H903 WeakPolarHBondContact OD1-CB 3.18Å; D900-H903 IonicContact OD1-CG 3.77Å; D900-H903 PolarHBondContact OD1-N 3.25Å; D900-H903 IonicContact OD1-ND1 3.51Å; D900-H903 PolarHBondContact OD1-ND1 3.33Å; H903-Y916 VanDerWaalsContact C-OH 3.3Å; H903-Y916 PolarHBondContact O-OH 3.24Å
904	G	91.5	Very high	89.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	25%	0.246	C	C	.	.			trans	99.3	7.4	-177.1	0	0	0	0	0	115	C899 D900 C906	C899-G904 WeakPolarHBondContact CB-O 3.23Å; D900-G904 VanDerWaalsContact O-CA 3.23Å; D900-G904 WeakPolarHBondContact O-CA 3.18Å; D900-G904 PolarHBondContact O-N 2.83Å; G904-C906 PolarHBondContact O-N 2.94Å
905	Q	92.7	Very high	89.7	Confident	72 Å²	72	42 Å²	42	34%	0.336	22%	0.221	S	C	.	.			trans	-63.7	120.3	176	171.6	61.8	58.2	0	0	110.4	C899 D900 G915 Y916	C899-Q905 CarbonylContact C-O 3.6Å; C899-Q905 VanDerWaalsContact CA-O 3.28Å; C899-Q905 WeakPolarHBondContact CA-O 3.19Å; C899-Q905 WeakPolarHBondContact CB-O 3.08Å; D900-Q905 HydrophobicContact CB-CB 4.16Å; D900-Q905 PolarHBondContact N-O 2.64Å; Q905-G915 PolarHBondContact NE2-O 2.03Å; Q905-G915 VanDerWaalsContact NE2-O 3.11Å; Q905-Y916 HydrophobicContact CB-CD2 4.27Å; Q905-Y916 HydrophobicContact CB-CE2 4Å; Q905-Y916 PolarHBondContact NE2-O 3.44Å; Q905-Y916 VanDerWaalsContact OE1-CA 3.31Å
906	C	92.7	Very high	89.8	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.027	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-72.7	141.7	-178.8	-64.8	0	0	0	0	112.6	C892 A896 C899 G904 Y916 C918	C892-C906 WeakPolarHBondContact CA-SG 3.28Å; C892-C906 HydrophobicContact CB-CB 3.72Å; C892-C906 WeakPolarHBondContact CB-SG 3.45Å; C892-C906 WeakPolarHBondContact SG-CB 3.41Å; C892-C906 CovalentContact SG-SG 2.03Å; C892-C906 PolarHBondContact SG-SG 3.11Å; A896-C906 HydrophobicContact CB-CB 4.11Å; C899-C906 HydrophobicContact CB-CB 4.49Å; G904-C906 PolarHBondContact O-N 2.94Å; C906-Y916 WeakPolarHBondContact CB-O 3.34Å; C906-Y916 PolarHBondContact N-O 2.02Å; C906-C918 WeakPolarHBondContact CB-SG 3.26Å
907	Y	91.1	Very high	90	Very high	76 Å²	76	47.4 Å²	47.4	30%	0.298	24%	0.242	S	C	.	.			trans	-93.4	95.5	172.2	-61.2	-66	0	0	0	110	A896 H898 D900 N909 H955	A896-Y907 WeakPolarHBondContact CB-O 3.02Å; H898-Y907 HydrophobicContact CB-CD2 4.17Å; H898-Y907 PolarHBondContact O-N 2.84Å; H898-Y907 VanDerWaalsContact O-N 3.09Å; D900-Y907 PolarHBondContact OD2-OH 3.38Å; Y907-N909 PolarHBondContact O-N 3.37Å; Y907-N909 PolarHBondContact O-OD1 3.09Å; Y907-H955 AromaticContact CD1-CD2 3.51Å; Y907-H955 AromaticContact CD1-NE2 3.43Å; Y907-H955 WeakPolarHBondContact CD1-NE2 3.31Å; Y907-H955 AromaticContact CE1-NE2 3.85Å; Y907-H955 AromaticContact CG-CD2 3.77Å; Y907-H955 AromaticContact CG-NE2 3.74Å
908	C	91.3	Very high	90.5	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.142	22%	0.216	C	C	.	.			trans	-67	125.6	-169.3	-50.4	0	0	0	0	112.9	T910 V913 C918	C908-T910 VanDerWaalsContact C-N 3.31Å; C908-T910 PolarHBondContact O-N 3.21Å; C908-V913 HydrophobicContact CB-CB 4.37Å; C908-V913 HydrophobicContact CB-CG1 4.31Å; C908-V913 WeakPolarHBondContact CB-O 3.06Å; C908-C918 WeakPolarHBondContact CA-SG 3.02Å; C908-C918 HydrophobicContact CB-CB 3.97Å; C908-C918 WeakPolarHBondContact CB-SG 3.46Å; C908-C918 WeakPolarHBondContact SG-CA 3.29Å; C908-C918 WeakPolarHBondContact SG-CB 3.38Å; C908-C918 CovalentContact SG-SG 2.04Å; C908-C918 PolarHBondContact SG-SG 3.35Å
909	N	90.7	Very high	90.8	Very high	29 Å²	29	41.2 Å²	41.2	16%	0.155	21%	0.208	C	C	.	.	S	Bend	trans	-80.3	-8.9	-174	-68.9	-6.2	0	0	0	113.9	Q895 Y907 H955 T957 R958	Q895-N909 WeakPolarHBondContact O-CB 3.01Å; Q895-N909 PolarHBondContact O-N 2.04Å; Y907-N909 PolarHBondContact O-N 3.37Å; Y907-N909 PolarHBondContact O-OD1 3.09Å; N909-H955 WeakPolarHBondContact CA-O 3.25Å; N909-T957 PolarHBondContact O-N 2.97Å; N909-T957 PolarHBondContact O-OG1 3.49Å; N909-R958 PolarHBondContact O-N 3.4Å; N909-R958 VanDerWaalsContact O-N 3.12Å
910	T	90.3	Very high	90.9	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.2	-174.5	-55	0	0	0	0	110.7	C908 G912 V913 R958 N960	C908-T910 VanDerWaalsContact C-N 3.31Å; C908-T910 PolarHBondContact O-N 3.21Å; T910-G912 PolarHBondContact O-N 3.33Å; T910-V913 HydrophobicContact CG2-CG2 4.1Å; T910-V913 WeakPolarHBondContact O-CB 3.47Å; T910-V913 PolarHBondContact O-N 3.21Å; T910-R958 CarbonylContact C-O 3.52Å; T910-R958 WeakPolarHBondContact CA-O 3.15Å; T910-R958 HydrophobicContact CG2-CB 4.2Å; T910-N960 VanDerWaalsContact CG2-ND2 3.31Å; T910-N960 WeakPolarHBondContact CG2-ND2 3.42Å
911	K	88.3	Confident	91	Very high	39 Å²	39	47.2 Å²	47.2	17%	0.17	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	133.6	176.4	-169.9	66.4	178.2	173.9	0	110.5	V913 Y925 L948 D953 I956 R958 I959	K911-V913 VanDerWaalsContact C-N 3.32Å; K911-Y925 WeakPolarHBondContact CG-OH 3.05Å; K911-Y925 WeakPolarHBondContact O-CE1 3.33Å; K911-L948 HydrophobicContact CB-CD2 4.41Å; K911-L948 HydrophobicContact CD-CD2 3.92Å; K911-L948 HydrophobicContact CG-CD2 4.18Å; K911-D953 IonicContact NZ-OD1 2.64Å; K911-D953 PolarHBondContact NZ-OD1 3.44Å; K911-D953 IonicContact NZ-OD2 3.6Å; K911-I956 HydrophobicContact CB-CD1 4.15Å; K911-I956 HydrophobicContact CB-CG2 3.86Å; K911-I956 HydrophobicContact CD-CD1 3.39Å; K911-I956 HydrophobicContact CG-CD1 4.36Å; K911-R958 PolarHBondContact N-O 2.86Å; K911-I959 HydrophobicContact CB-CB 4.1Å; K911-I959 HydrophobicContact CB-CD1 4.05Å; K911-I959 HydrophobicContact CB-CG1 3.99Å; K911-I959 HydrophobicContact CG-CD1 4.05Å; K911-I959 HydrophobicContact CG-CG1 4.48Å
912	G	89.7	Confident	91.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-6.3	-177.3	0	0	0	0	0	114.4	T910 C921 E922 C934	T910-G912 PolarHBondContact O-N 3.33Å; G912-C921 CarbonylContact O-C 3.6Å; G912-C921 VanDerWaalsContact O-CA 3.3Å; G912-C921 WeakPolarHBondContact O-CA 3.02Å; G912-E922 PolarHBondContact O-N 2.96Å; G912-C934 PolarHBondContact O-SG 3.11Å; G912-C934 VanDerWaalsContact O-SG 3.37Å
913	V	91.7	Very high	91.2	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.6	167.7	-178.6	0	0	0	0	108.5	Q895 C908 T910 K911 C918 K920 P929 C934	Q895-V913 HydrophobicContact CB-CG1 4.19Å; Q895-V913 HydrophobicContact CG-CG1 4.22Å; C908-V913 HydrophobicContact CB-CB 4.37Å; C908-V913 HydrophobicContact CB-CG1 4.31Å; C908-V913 WeakPolarHBondContact CB-O 3.06Å; T910-V913 HydrophobicContact CG2-CG2 4.1Å; T910-V913 WeakPolarHBondContact O-CB 3.47Å; T910-V913 PolarHBondContact O-N 3.21Å; K911-V913 VanDerWaalsContact C-N 3.32Å; V913-C918 HydrophobicContact CG1-CB 3.76Å; V913-C918 VanDerWaalsContact CG1-O 3.26Å; V913-C918 WeakPolarHBondContact CG1-O 3.47Å; V913-K920 CarbonylContact C-O 3.36Å; V913-K920 WeakPolarHBondContact CA-O 3.09Å; V913-P929 HydrophobicContact CG1-CB 3.93Å; V913-P929 HydrophobicContact CG1-CG 3.99Å; V913-P929 HydrophobicContact CG2-CG 4.44Å; V913-C934 HydrophobicContact CG2-CB 3.92Å
914	S	90.6	Very high	91	Very high	37 Å²	37	51.1 Å²	51.1	26%	0.259	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	177.4	-177.3	60.6	0	0	0	0	111.7	C918 D919 K920	S914-C918 CarbonylContact O-C 3.58Å; S914-D919 PolarHBondContact O-N 3.35Å; S914-K920 PolarHBondContact N-O 2.82Å; S914-K920 WeakPolarHBondContact O-CA 3.34Å; S914-K920 WeakPolarHBondContact O-CB 3.33Å; S914-K920 PolarHBondContact O-N 3.45Å
915	G	89.8	Confident	91	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	25%	0.253	S	S	.	.	S	Bend	trans	104.2	167.9	-178.6	0	0	0	0	0	113.1	Q905 N917 C918	Q905-G915 PolarHBondContact NE2-O 2.03Å; Q905-G915 VanDerWaalsContact NE2-O 3.11Å; G915-N917 VanDerWaalsContact C-N 3.31Å; G915-N917 PolarHBondContact O-N 3.39Å; G915-C918 PolarHBondContact O-N 3.3Å
916	Y	91.7	Very high	90.7	Very high	104 Å²	104	51.7 Å²	51.7	41%	0.408	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-42.4	-174.8	-169.9	-94.2	0	0	0	112.9	H903 Q905 C906	H903-Y916 VanDerWaalsContact C-OH 3.3Å; H903-Y916 PolarHBondContact O-OH 3.24Å; Q905-Y916 HydrophobicContact CB-CD2 4.27Å; Q905-Y916 HydrophobicContact CB-CE2 4Å; Q905-Y916 PolarHBondContact NE2-O 3.44Å; Q905-Y916 VanDerWaalsContact OE1-CA 3.31Å; C906-Y916 WeakPolarHBondContact CB-O 3.34Å; C906-Y916 PolarHBondContact N-O 2.02Å
917	N	93.4	Very high	90.6	Very high	45 Å²	45	54 Å²	54	24%	0.241	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	19.8	179.4	-73.8	-8.9	0	0	0	112.4	E891 C892 N893 G915 D919	E891-N917 WeakPolarHBondContact O-CB 3.3Å; E891-N917 PolarHBondContact O-OD1 3.06Å; C892-N917 CarbonylContact C-O 3.54Å; N893-N917 PolarHBondContact ND2-O 2.91Å; G915-N917 VanDerWaalsContact C-N 3.31Å; G915-N917 PolarHBondContact O-N 3.39Å; N917-D919 VanDerWaalsContact C-N 3.31Å; N917-D919 PolarHBondContact O-N 3.4Å
918	C	92.8	Very high	90.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	53.7	44.7	-173.8	-59.3	0	0	0	0	113.4	Q895 C906 C908 V913 S914 G915 P929	Q895-C918 HydrophobicContact CB-CB 3.56Å; Q895-C918 HydrophobicContact CG-CB 4.34Å; C906-C918 WeakPolarHBondContact CB-SG 3.26Å; C908-C918 WeakPolarHBondContact CA-SG 3.02Å; C908-C918 HydrophobicContact CB-CB 3.97Å; C908-C918 WeakPolarHBondContact CB-SG 3.46Å; C908-C918 WeakPolarHBondContact SG-CA 3.29Å; C908-C918 WeakPolarHBondContact SG-CB 3.38Å; C908-C918 CovalentContact SG-SG 2.04Å; C908-C918 PolarHBondContact SG-SG 3.35Å; V913-C918 HydrophobicContact CG1-CB 3.76Å; V913-C918 VanDerWaalsContact CG1-O 3.26Å; V913-C918 WeakPolarHBondContact CG1-O 3.47Å; S914-C918 CarbonylContact O-C 3.58Å; G915-C918 PolarHBondContact O-N 3.3Å; C918-P929 WeakPolarHBondContact O-CB 3.38Å
919	D	93	Very high	90.5	Very high	30 Å²	30	52.6 Å²	52.6	16%	0.16	27%	0.273	C	S	.	.			trans	-111.5	3.7	-169	72.4	-42.7	0	0	0	114.1	S914 N917 R930	S914-D919 PolarHBondContact O-N 3.35Å; N917-D919 VanDerWaalsContact C-N 3.31Å; N917-D919 PolarHBondContact O-N 3.4Å; D919-R930 HydrophobicContact CB-CG 4.2Å; D919-R930 IonicContact OD2-CZ 3.67Å; D919-R930 IonicContact OD2-NE 3.76Å; D919-R930 IonicContact OD2-NH2 2.76Å; D919-R930 PolarHBondContact OD2-NH2 3.06Å
920	K	93	Very high	90.4	Very high	130 Å²	130	58.3 Å²	58.3	57%	0.565	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	155.7	-179.6	-61.9	177	-175.5	176	0	111.6	V913 S914	V913-K920 CarbonylContact C-O 3.36Å; V913-K920 WeakPolarHBondContact CA-O 3.09Å; S914-K920 PolarHBondContact N-O 2.82Å; S914-K920 WeakPolarHBondContact O-CA 3.34Å; S914-K920 WeakPolarHBondContact O-CB 3.33Å; S914-K920 PolarHBondContact O-N 3.45Å
921	C	92.5	Very high	90.2	Very high	37 Å²	37	64.8 Å²	64.8	25%	0.25	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.5	167	-64.7	0	0	0	0	111	G912 G927 C934	G912-C921 CarbonylContact O-C 3.6Å; G912-C921 VanDerWaalsContact O-CA 3.3Å; G912-C921 WeakPolarHBondContact O-CA 3.02Å; C921-G927 PolarHBondContact SG-O 3.37Å; C921-C934 WeakPolarHBondContact CA-SG 3.42Å; C921-C934 HydrophobicContact CB-CB 3.96Å; C921-C934 WeakPolarHBondContact CB-SG 3.41Å; C921-C934 WeakPolarHBondContact SG-CB 3.46Å; C921-C934 CovalentContact SG-SG 2.03Å; C921-C934 PolarHBondContact SG-SG 2.84Å
922	E	90.7	Very high	90.1	Very high	67 Å²	67	69.1 Å²	69.1	31%	0.313	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62.7	161.1	167.4	-68.3	179	-176.9	0	0	111.4	G912 K924 Y925	G912-E922 PolarHBondContact O-N 2.96Å; E922-K924 PolarHBondContact O-N 2.8Å; E922-Y925 HydrophobicContact CB-CD2 3.97Å; E922-Y925 HydrophobicContact CB-CE2 4.49Å; E922-Y925 PolarHBondContact O-N 3.4Å
923	Q	87.5	Confident	90.1	Very high	185 Å²	185	69.8 Å²	69.8	86%	0.864	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.9	176.1	-157.9	172.9	10.1	0	0	110.4
924	K	86.1	Confident	90.1	Very high	160 Å²	160	69.5 Å²	69.5	70%	0.696	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-9.8	-172.3	-50.6	172.5	-178	177.1	0	116.2	E922 Y936	E922-K924 PolarHBondContact O-N 2.8Å; K924-Y936 HydrophobicContact CB-CD2 4.46Å; K924-Y936 HydrophobicContact CB-CE2 3.99Å; K924-Y936 HydrophobicContact CD-CE2 4.34Å
925	Y	90.5	Very high	90.2	Very high	25 Å²	25	70 Å²	70	10%	0.098	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.8	170.3	-68.1	-104	0	0	0	110.6	K911 E922 C934 F935 Y936	K911-Y925 WeakPolarHBondContact CG-OH 3.05Å; K911-Y925 WeakPolarHBondContact O-CE1 3.33Å; E922-Y925 HydrophobicContact CB-CD2 3.97Å; E922-Y925 HydrophobicContact CB-CE2 4.49Å; E922-Y925 PolarHBondContact O-N 3.4Å; Y925-C934 HydrophobicContact CD1-CB 4.19Å; Y925-C934 HydrophobicContact CG-CB 4.4Å; Y925-F935 CarbonylContact C-O 3.57Å; Y925-F935 WeakPolarHBondContact CA-O 3.45Å; Y925-Y936 HydrophobicContact CD1-CD2 4.49Å; Y925-Y936 HydrophobicContact CD2-CD2 4.28Å; Y925-Y936 HydrophobicContact CE1-CD2 4.13Å; Y925-Y936 HydrophobicContact CE1-CG 4.36Å; Y925-Y936 AromaticContact CE2-CD2 3.9Å; Y925-Y936 HydrophobicContact CE2-CD2 3.9Å; Y925-Y936 AromaticContact CZ-CD2 3.79Å
926	I	88	Confident	90.1	Very high	61 Å²	61	70.8 Å²	70.8	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.4	179.6	55.5	170.1	0	0	0	110.3	F935 E937 V962	I926-F935 WeakPolarHBondContact CG1-O 3.43Å; I926-F935 PolarHBondContact N-O 2.87Å; I926-F935 PolarHBondContact O-N 3.37Å; I926-E937 HydrophobicContact CD1-CB 4.47Å; I926-V962 HydrophobicContact CD1-CG1 4.1Å; I926-V962 HydrophobicContact CG1-CG1 4.4Å
927	G	89	Confident	89.8	Confident	52 Å²	52	69.4 Å²	69.4	54%	0.536	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-173.7	-179.8	0	0	0	0	0	112.6	C921	C921-G927 PolarHBondContact SG-O 3.37Å
928	D	90.5	Very high	89.2	Confident	65 Å²	65	69.2 Å²	69.2	35%	0.348	34%	0.338	S	S	.	.			trans	-133.3	108.7	173.4	177.1	4	0	0	0	108.2	R930 N931 Q932 T933	D928-R930 PolarHBondContact O-N 2.81Å; D928-R930 WeakPolarHBondContact OD1-CB 3.49Å; D928-R930 PolarHBondContact OD1-N 2.9Å; D928-N931 PolarHBondContact O-N 3.19Å; D928-N931 PolarHBondContact OD2-ND2 3.12Å; D928-Q932 CarbonylContact O-C 3.59Å; D928-Q932 PolarHBondContact O-N 2.86Å; D928-T933 PolarHBondContact O-N 3.24Å
929	P	90.3	Very high	88.6	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.019	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.8	179.1	-22.7	32.7	0	0	0	114.6	Q895 V913 C918 N931 C934	Q895-P929 HydrophobicContact CG-CB 4.05Å; Q895-P929 PolarHBondContact NE2-O 3.35Å; V913-P929 HydrophobicContact CG1-CB 3.93Å; V913-P929 HydrophobicContact CG1-CG 3.99Å; V913-P929 HydrophobicContact CG2-CG 4.44Å; C918-P929 WeakPolarHBondContact O-CB 3.38Å; P929-N931 VanDerWaalsContact C-N 3.3Å; P929-N931 PolarHBondContact O-N 3.05Å; P929-C934 WeakPolarHBondContact CG-SG 3.37Å
930	R	89	Confident	87.7	Confident	149 Å²	149	75.5 Å²	75.5	56%	0.562	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.4	-176.6	-60.3	178.9	-178.1	-163.3	-3.8	112.2	D919 D928	D919-R930 HydrophobicContact CB-CG 4.2Å; D919-R930 IonicContact OD2-CZ 3.67Å; D919-R930 IonicContact OD2-NE 3.76Å; D919-R930 IonicContact OD2-NH2 2.76Å; D919-R930 PolarHBondContact OD2-NH2 3.06Å; D928-R930 PolarHBondContact O-N 2.81Å; D928-R930 WeakPolarHBondContact OD1-CB 3.49Å; D928-R930 PolarHBondContact OD1-N 2.9Å
931	N	86.9	Confident	86.9	Confident	139 Å²	139	77 Å²	77	74%	0.743	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-32.6	-178.9	-75.9	-31.8	0	0	0	113.3	D928 P929	D928-N931 PolarHBondContact O-N 3.19Å; D928-N931 PolarHBondContact OD2-ND2 3.12Å; P929-N931 VanDerWaalsContact C-N 3.3Å; P929-N931 PolarHBondContact O-N 3.05Å
932	Q	85.3	Confident	86.1	Confident	131 Å²	131	82.1 Å²	82.1	61%	0.612	41%	0.41	S	S	*	.	S	Bend	trans	-137.4	-96.3	179.2	-70.2	-173.2	18.7	0	0	111.3	Q895 D928	Q895-Q932 PolarHBondContact NE2-O 2.81Å; D928-Q932 CarbonylContact O-C 3.59Å; D928-Q932 PolarHBondContact O-N 2.86Å
933	T	90	Very high	85.5	Confident	14 Å²	14	85.6 Å²	85.6	9%	0.086	44%	0.436	C	S	.	.			trans	-174.5	176.2	-174.9	-167.6	0	0	0	0	108.7	D928 F935 N960	D928-T933 PolarHBondContact O-N 3.24Å; T933-F935 HydrophobicContact CG2-CD2 4.17Å; T933-F935 HydrophobicContact CG2-CE1 3.97Å; T933-F935 HydrophobicContact CG2-CE2 3.54Å; T933-F935 HydrophobicContact CG2-CZ 3.42Å; T933-F935 VanDerWaalsContact CG2-CZ 3.42Å; T933-N960 HydrophobicContact CG2-CB 4.23Å; T933-N960 WeakPolarHBondContact CG2-ND2 3.47Å; T933-N960 PolarHBondContact OG1-ND2 2.93Å
934	C	91.8	Very high	85	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.9	174.2	-63.2	0	0	0	0	110.3	G912 V913 C921 Y925 P929 N960	G912-C934 PolarHBondContact O-SG 3.11Å; G912-C934 VanDerWaalsContact O-SG 3.37Å; V913-C934 HydrophobicContact CG2-CB 3.92Å; C921-C934 WeakPolarHBondContact CA-SG 3.42Å; C921-C934 HydrophobicContact CB-CB 3.96Å; C921-C934 WeakPolarHBondContact CB-SG 3.41Å; C921-C934 WeakPolarHBondContact SG-CB 3.46Å; C921-C934 CovalentContact SG-SG 2.03Å; C921-C934 PolarHBondContact SG-SG 2.84Å; Y925-C934 HydrophobicContact CD1-CB 4.19Å; Y925-C934 HydrophobicContact CG-CB 4.4Å; P929-C934 WeakPolarHBondContact CG-SG 3.37Å; C934-N960 WeakPolarHBondContact O-CB 3.44Å
935	F	91.4	Very high	84.6	Confident	47 Å²	47	78.7 Å²	78.7	21%	0.206	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136	177.9	-61.2	-92	0	0	0	110.5	Y925 I926 T933 N960 V962	Y925-F935 CarbonylContact C-O 3.57Å; Y925-F935 WeakPolarHBondContact CA-O 3.45Å; I926-F935 WeakPolarHBondContact CG1-O 3.43Å; I926-F935 PolarHBondContact N-O 2.87Å; I926-F935 PolarHBondContact O-N 3.37Å; T933-F935 HydrophobicContact CG2-CD2 4.17Å; T933-F935 HydrophobicContact CG2-CE1 3.97Å; T933-F935 HydrophobicContact CG2-CE2 3.54Å; T933-F935 HydrophobicContact CG2-CZ 3.42Å; T933-F935 VanDerWaalsContact CG2-CZ 3.42Å; F935-N960 WeakPolarHBondContact CA-O 3.3Å; F935-N960 HydrophobicContact CD1-CB 3.65Å; F935-N960 HydrophobicContact CE1-CB 3.9Å; F935-N960 HydrophobicContact CG-CB 4.38Å; F935-V962 HydrophobicContact CB-CB 3.86Å; F935-V962 HydrophobicContact CB-CG1 3.62Å; F935-V962 HydrophobicContact CD1-CB 4.22Å; F935-V962 HydrophobicContact CG-CB 4.22Å; F935-V962 HydrophobicContact CG-CG1 4.43Å
936	Y	89.1	Confident	83.9	Confident	42 Å²	42	80.9 Å²	80.9	17%	0.165	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.6	167.4	-168.1	-86.9	0	0	0	109.4	K924 Y925 L938 F944 F946 N960 F961 V962	K924-Y936 HydrophobicContact CB-CD2 4.46Å; K924-Y936 HydrophobicContact CB-CE2 3.99Å; K924-Y936 HydrophobicContact CD-CE2 4.34Å; Y925-Y936 HydrophobicContact CD1-CD2 4.49Å; Y925-Y936 HydrophobicContact CD2-CD2 4.28Å; Y925-Y936 HydrophobicContact CE1-CD2 4.13Å; Y925-Y936 HydrophobicContact CE1-CG 4.36Å; Y925-Y936 AromaticContact CE2-CD2 3.9Å; Y925-Y936 HydrophobicContact CE2-CD2 3.9Å; Y925-Y936 AromaticContact CZ-CD2 3.79Å; Y936-L938 HydrophobicContact CD1-CD2 3.76Å; Y936-L938 HydrophobicContact CE1-CD2 4.11Å; Y936-L938 PolarHBondContact O-N 3.46Å; Y936-F944 AromaticContact CE1-CD1 3.83Å; Y936-F944 HydrophobicContact CE1-CD1 3.83Å; Y936-F944 AromaticContact CE1-CE1 3.75Å; Y936-F944 HydrophobicContact CE1-CE1 3.75Å; Y936-F946 HydrophobicContact CD1-CE1 4.23Å; Y936-F946 AromaticContact CD1-CZ 3.81Å; Y936-F946 HydrophobicContact CD1-CZ 3.81Å; Y936-F946 HydrophobicContact CD2-CE1 4.22Å; Y936-F946 HydrophobicContact CE1-CE1 4.37Å; Y936-F946 AromaticContact CE1-CZ 3.98Å; Y936-F946 HydrophobicContact CE1-CZ 3.98Å; Y936-F946 HydrophobicContact CE2-CE1 4.35Å; Y936-F946 HydrophobicContact CG-CE1 4.15Å; Y936-F946 HydrophobicContact CG-CZ 4.14Å; Y936-N960 PolarHBondContact N-O 2.76Å; Y936-F961 WeakPolarHBondContact O-CA 3.37Å; Y936-V962 PolarHBondContact O-N 2.85Å
937	E	84.2	Confident	83.3	Confident	76 Å²	76	83.3 Å²	83.3	36%	0.355	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116.8	178.5	-171.8	166	-160.5	0	0	110.5	I926 V962 R964	I926-E937 HydrophobicContact CD1-CB 4.47Å; E937-V962 CarbonylContact C-O 3.56Å; E937-V962 VanDerWaalsContact CA-O 3.3Å; E937-V962 WeakPolarHBondContact CA-O 3.44Å; E937-V962 HydrophobicContact CB-CG1 4.33Å; E937-R964 WeakPolarHBondContact OE1-CD 3.18Å
938	L	82.2	Confident	82.6	Confident	40 Å²	40	83 Å²	83	21%	0.209	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-93.5	126.6	175.4	-60.3	176.6	0	0	0	109.4	Y936 F944 F946 F961 V962 T963	Y936-L938 HydrophobicContact CD1-CD2 3.76Å; Y936-L938 HydrophobicContact CE1-CD2 4.11Å; Y936-L938 PolarHBondContact O-N 3.46Å; L938-F944 HydrophobicContact CB-CE2 4.14Å; L938-F944 HydrophobicContact CD2-CB 4.19Å; L938-F944 HydrophobicContact CD2-CD1 4.11Å; L938-F944 HydrophobicContact CD2-CD2 3.46Å; L938-F944 VanDerWaalsContact CD2-CD2 3.46Å; L938-F944 HydrophobicContact CD2-CE1 4.37Å; L938-F944 HydrophobicContact CD2-CE2 3.73Å; L938-F944 HydrophobicContact CD2-CG 3.65Å; L938-F944 HydrophobicContact CD2-CZ 4.19Å; L938-F946 HydrophobicContact CD2-CZ 4.36Å; L938-F961 HydrophobicContact CD1-CB 3.58Å; L938-F961 HydrophobicContact CD1-CD1 3.89Å; L938-F961 HydrophobicContact CD1-CG 3.75Å; L938-F961 HydrophobicContact CD2-CD1 3.9Å; L938-F961 HydrophobicContact CD2-CE1 4.4Å; L938-F961 HydrophobicContact CG-CB 4.03Å; L938-F961 HydrophobicContact CG-CD1 3.95Å; L938-F961 HydrophobicContact CG-CG 4.23Å; L938-V962 PolarHBondContact N-O 2.98Å; L938-T963 HydrophobicContact CB-CG2 3.86Å
939	T	79.2	Confident	81.8	Confident	75 Å²	75	86.5 Å²	86.5	46%	0.46	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-80	134.2	168.7	47.6	0	0	0	0	109.9	F942 F944	T939-F942 PolarHBondContact O-N 3.49Å; T939-F942 WeakPolarHBondContact OG1-CD2 3.42Å; T939-F944 WeakPolarHBondContact OG1-CZ 3.18Å
940	V	74.4	Confident	80.9	Confident	87 Å²	87	88 Å²	88	53%	0.527	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	143.4	173	-148.3	0	0	0	0	108.6
941	D	75.5	Confident	79.9	Confident	161 Å²	161	90 Å²	90	86%	0.861	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	4.6	-179.9	-45.7	-40	0	0	0	117.6
942	F	76.9	Confident	79.1	Confident	145 Å²	145	90.6 Å²	90.6	64%	0.636	48%	0.478	S	S	*	.			trans	-110.7	142.2	175.8	-71.6	-94.8	0	0	0	113.1	T939 F944	T939-F942 PolarHBondContact O-N 3.49Å; T939-F942 WeakPolarHBondContact OG1-CD2 3.42Å; F942-F944 HydrophobicContact CB-CD2 4.3Å; F942-F944 HydrophobicContact CB-CE2 3.63Å; F942-F944 HydrophobicContact CB-CZ 3.98Å; F942-F944 WeakPolarHBondContact O-CD2 3.47Å
943	V	77.2	Confident	78.5	Confident	141 Å²	141	85.2 Å²	85.2	86%	0.855	45%	0.454	S	S	*	.			trans	-90.6	124.2	169.9	-179.8	0	0	0	0	108.8
944	F	77.1	Confident	77.9	Confident	65 Å²	65	88.4 Å²	88.4	29%	0.285	48%	0.481	S	S	.	.			trans	-107.9	138.6	177.3	-65.8	-94.6	0	0	0	110.2	Y936 L938 T939 F942 F946	Y936-F944 AromaticContact CE1-CD1 3.83Å; Y936-F944 HydrophobicContact CE1-CD1 3.83Å; Y936-F944 AromaticContact CE1-CE1 3.75Å; Y936-F944 HydrophobicContact CE1-CE1 3.75Å; L938-F944 HydrophobicContact CB-CE2 4.14Å; L938-F944 HydrophobicContact CD2-CB 4.19Å; L938-F944 HydrophobicContact CD2-CD1 4.11Å; L938-F944 HydrophobicContact CD2-CD2 3.46Å; L938-F944 VanDerWaalsContact CD2-CD2 3.46Å; L938-F944 HydrophobicContact CD2-CE1 4.37Å; L938-F944 HydrophobicContact CD2-CE2 3.73Å; L938-F944 HydrophobicContact CD2-CG 3.65Å; L938-F944 HydrophobicContact CD2-CZ 4.19Å; T939-F944 WeakPolarHBondContact OG1-CZ 3.18Å; F942-F944 HydrophobicContact CB-CD2 4.3Å; F942-F944 HydrophobicContact CB-CE2 3.63Å; F942-F944 HydrophobicContact CB-CZ 3.98Å; F942-F944 WeakPolarHBondContact O-CD2 3.47Å; F944-F946 HydrophobicContact CB-CD2 4.43Å; F944-F946 HydrophobicContact CB-CE2 3.59Å; F944-F946 HydrophobicContact CB-CZ 4.05Å
945	T	77.5	Confident	77.5	Confident	135 Å²	135	92.1 Å²	92.1	83%	0.828	50%	0.499	S	S	*	.			trans	-118.7	125.5	173.5	-56.3	0	0	0	0	108.5
946	F	76.3	Confident	77.2	Confident	70 Å²	70	90.4 Å²	90.4	31%	0.307	49%	0.492	S	S	.	.			trans	-111.3	125.1	175.6	-62.7	-88.3	0	0	0	108.3	Y936 L938 F944 I959 F961	Y936-F946 HydrophobicContact CD1-CE1 4.23Å; Y936-F946 AromaticContact CD1-CZ 3.81Å; Y936-F946 HydrophobicContact CD1-CZ 3.81Å; Y936-F946 HydrophobicContact CD2-CE1 4.22Å; Y936-F946 HydrophobicContact CE1-CE1 4.37Å; Y936-F946 AromaticContact CE1-CZ 3.98Å; Y936-F946 HydrophobicContact CE1-CZ 3.98Å; Y936-F946 HydrophobicContact CE2-CE1 4.35Å; Y936-F946 HydrophobicContact CG-CE1 4.15Å; Y936-F946 HydrophobicContact CG-CZ 4.14Å; L938-F946 HydrophobicContact CD2-CZ 4.36Å; F944-F946 HydrophobicContact CB-CD2 4.43Å; F944-F946 HydrophobicContact CB-CE2 3.59Å; F944-F946 HydrophobicContact CB-CZ 4.05Å; F946-I959 HydrophobicContact CB-CD1 4.26Å; F946-I959 HydrophobicContact CD1-CD1 3.54Å; F946-I959 HydrophobicContact CD2-CD1 4.3Å; F946-I959 HydrophobicContact CE1-CD1 3.94Å; F946-I959 HydrophobicContact CG-CD1 3.76Å; F946-F961 AromaticContact CD2-CE1 3.98Å; F946-F961 HydrophobicContact CD2-CE1 3.98Å; F946-F961 AromaticContact CD2-CZ 3.86Å; F946-F961 HydrophobicContact CD2-CZ 3.86Å; F946-F961 HydrophobicContact CE1-CE1 4.02Å; F946-F961 HydrophobicContact CE2-CD1 4.34Å; F946-F961 AromaticContact CE2-CE1 3.3Å; F946-F961 HydrophobicContact CE2-CE1 3.3Å; F946-F961 AromaticContact CE2-CZ 3.62Å; F946-F961 HydrophobicContact CE2-CZ 3.62Å; F946-F961 HydrophobicContact CZ-CD1 4.24Å; F946-F961 AromaticContact CZ-CE1 3.36Å; F946-F961 HydrophobicContact CZ-CE1 3.36Å; F946-F961 HydrophobicContact CZ-CZ 4.11Å
947	N	75.7	Confident	77	Confident	112 Å²	112	91.2 Å²	91.2	60%	0.599	50%	0.501	S	S	*	.			trans	-97.8	124.3	172.5	-169.7	-3.7	0	0	0	108.1	N949	N947-N949 WeakPolarHBondContact OD1-CB 3.09Å; N947-N949 PolarHBondContact OD1-N 2.89Å; N947-N949 VanDerWaalsContact OD1-N 3.08Å
948	L	73.3	Confident	77.1	Confident	47 Å²	47	94.7 Å²	94.7	25%	0.246	51%	0.511	C	S	.	.			trans	-113.5	26.7	179.1	-66.2	173.6	0	0	0	111.2	K911 D953 I956	K911-L948 HydrophobicContact CB-CD2 4.41Å; K911-L948 HydrophobicContact CD-CD2 3.92Å; K911-L948 HydrophobicContact CG-CD2 4.18Å; L948-D953 WeakPolarHBondContact O-CB 3.47Å; L948-I956 HydrophobicContact CD2-CG2 4.15Å
949	N	74.7	Confident	77.4	Confident	137 Å²	137	93.1 Å²	93.1	73%	0.733	50%	0.502	S	S	*	.			trans	-98.6	10.9	-177.1	-59.7	-1.8	0	0	0	112.9	N947	N947-N949 WeakPolarHBondContact OD1-CB 3.09Å; N947-N949 PolarHBondContact OD1-N 2.89Å; N947-N949 VanDerWaalsContact OD1-N 3.08Å
950	G	70.9	Confident	77.9	Confident	36 Å²	36	90.9 Å²	90.9	37%	0.371	49%	0.488	S	S	.	.	S	Bend	trans	-71.3	151.1	173.2	0	0	0	0	0	111.3	D952 D953	G950-D952 PolarHBondContact O-N 3.38Å; G950-D953 PolarHBondContact N-OD2 3.06Å; G950-D953 WeakPolarHBondContact O-CB 3.34Å; G950-D953 PolarHBondContact O-N 3.01Å
951	E	69.2	Low	78.5	Confident	189 Å²	189	89.3 Å²	89.3	88%	0.883	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-56.6	-38	172.2	-73.9	-177.1	160.4	0	0	111.4	D953 A954	E951-D953 PolarHBondContact O-N 2.03Å; E951-A954 PolarHBondContact O-N 2.77Å
952	D	68.3	Low	79	Confident	153 Å²	153	83.9 Å²	83.9	82%	0.818	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.2	175.8	-63	-34.2	0	0	0	113.7	G950	G950-D952 PolarHBondContact O-N 3.38Å
953	D	74.4	Confident	79.1	Confident	18 Å²	18	81 Å²	81	10%	0.096	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-90.4	-3.4	-175.8	-64.9	-37.9	0	0	0	113.2	K911 L948 G950 E951 H955 I956	K911-D953 IonicContact NZ-OD1 2.64Å; K911-D953 PolarHBondContact NZ-OD1 3.44Å; K911-D953 IonicContact NZ-OD2 3.6Å; L948-D953 WeakPolarHBondContact O-CB 3.47Å; G950-D953 PolarHBondContact N-OD2 3.06Å; G950-D953 WeakPolarHBondContact O-CB 3.34Å; G950-D953 PolarHBondContact O-N 3.01Å; E951-D953 PolarHBondContact O-N 2.03Å; D953-H955 PolarHBondContact O-N 3.43Å; D953-H955 VanDerWaalsContact O-N 3.11Å; D953-I956 HydrophobicContact CB-CD1 3.93Å; D953-I956 HydrophobicContact CB-CG1 4.45Å; D953-I956 VanDerWaalsContact O-CB 3.28Å; D953-I956 WeakPolarHBondContact O-CB 3.01Å; D953-I956 PolarHBondContact O-N 2.85Å; D953-I956 WeakPolarHBondContact OD1-CD1 3.5Å
954	A	77.5	Confident	78.7	Confident	81 Å²	81	82 Å²	82	67%	0.669	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-30.5	-173.9	0	0	0	0	0	114	E951	E951-A954 PolarHBondContact O-N 2.77Å
955	H	81.5	Confident	78.2	Confident	78 Å²	78	83.4 Å²	83.4	36%	0.361	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.8	-179.9	-57.1	-69.9	0	0	0	113.3	Y907 N909 D953 T957	Y907-H955 AromaticContact CD1-CD2 3.51Å; Y907-H955 AromaticContact CD1-NE2 3.43Å; Y907-H955 WeakPolarHBondContact CD1-NE2 3.31Å; Y907-H955 AromaticContact CE1-NE2 3.85Å; Y907-H955 AromaticContact CG-CD2 3.77Å; Y907-H955 AromaticContact CG-NE2 3.74Å; N909-H955 WeakPolarHBondContact CA-O 3.25Å; D953-H955 PolarHBondContact O-N 3.43Å; D953-H955 VanDerWaalsContact O-N 3.11Å; H955-T957 PolarHBondContact O-N 3.24Å
956	I	86	Confident	77.5	Confident	11 Å²	11	81.4 Å²	81.4	6%	0.056	43%	0.434	C	S	.	.			trans	-79.8	118.6	-173.9	-60.4	-177.3	0	0	0	110.1	K911 L948 D953 R958	K911-I956 HydrophobicContact CB-CD1 4.15Å; K911-I956 HydrophobicContact CB-CG2 3.86Å; K911-I956 HydrophobicContact CD-CD1 3.39Å; K911-I956 HydrophobicContact CG-CD1 4.36Å; L948-I956 HydrophobicContact CD2-CG2 4.15Å; D953-I956 HydrophobicContact CB-CD1 3.93Å; D953-I956 HydrophobicContact CB-CG1 4.45Å; D953-I956 VanDerWaalsContact O-CB 3.28Å; D953-I956 WeakPolarHBondContact O-CB 3.01Å; D953-I956 PolarHBondContact O-N 2.85Å; D953-I956 WeakPolarHBondContact OD1-CD1 3.5Å; I956-R958 WeakPolarHBondContact CG2-O 3.2Å
957	T	85.6	Confident	76.3	Confident	58 Å²	58	88.4 Å²	88.4	36%	0.356	47%	0.465	S	S	.	.			trans	-113.5	-9.6	177.6	56.3	0	0	0	0	112.7	N909 H955	N909-T957 PolarHBondContact O-N 2.97Å; N909-T957 PolarHBondContact O-OG1 3.49Å; H955-T957 PolarHBondContact O-N 3.24Å
958	R	86.5	Confident	75.2	Confident	150 Å²	150	88.9 Å²	88.9	57%	0.566	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.3	-174.3	-60.5	179.2	-172.5	172.7	3	111.3	N909 T910 K911 I956	N909-R958 PolarHBondContact O-N 3.4Å; N909-R958 VanDerWaalsContact O-N 3.12Å; T910-R958 CarbonylContact C-O 3.52Å; T910-R958 WeakPolarHBondContact CA-O 3.15Å; T910-R958 HydrophobicContact CG2-CB 4.2Å; K911-R958 PolarHBondContact N-O 2.86Å; I956-R958 WeakPolarHBondContact CG2-O 3.2Å
959	I	87.5	Confident	74	Confident	6 Å²	6	91.4 Å²	91.4	3%	0.031	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.7	164.6	-174	164	0	0	0	107.5	K911 F946 F961	K911-I959 HydrophobicContact CB-CB 4.1Å; K911-I959 HydrophobicContact CB-CD1 4.05Å; K911-I959 HydrophobicContact CB-CG1 3.99Å; K911-I959 HydrophobicContact CG-CD1 4.05Å; K911-I959 HydrophobicContact CG-CG1 4.48Å; F946-I959 HydrophobicContact CB-CD1 4.26Å; F946-I959 HydrophobicContact CD1-CD1 3.54Å; F946-I959 HydrophobicContact CD2-CD1 4.3Å; F946-I959 HydrophobicContact CE1-CD1 3.94Å; F946-I959 HydrophobicContact CG-CD1 3.76Å; I959-F961 HydrophobicContact CB-CE2 4.49Å; I959-F961 HydrophobicContact CB-CZ 4.18Å; I959-F961 HydrophobicContact CD1-CE1 3.69Å; I959-F961 HydrophobicContact CD1-CZ 3.55Å; I959-F961 HydrophobicContact CG1-CE1 3.72Å; I959-F961 HydrophobicContact CG1-CE2 4.23Å; I959-F961 HydrophobicContact CG1-CZ 3.55Å; I959-F961 HydrophobicContact CG2-CE2 3.63Å; I959-F961 HydrophobicContact CG2-CZ 3.59Å
960	N	89.3	Confident	72.4	Confident	29 Å²	29	89.4 Å²	89.4	16%	0.155	49%	0.489	C	S	.	.			trans	-112	133.2	-176.3	-62.2	-50.6	0	0	0	110.1	T910 T933 C934 F935 Y936	T910-N960 VanDerWaalsContact CG2-ND2 3.31Å; T910-N960 WeakPolarHBondContact CG2-ND2 3.42Å; T933-N960 HydrophobicContact CG2-CB 4.23Å; T933-N960 WeakPolarHBondContact CG2-ND2 3.47Å; T933-N960 PolarHBondContact OG1-ND2 2.93Å; C934-N960 WeakPolarHBondContact O-CB 3.44Å; F935-N960 WeakPolarHBondContact CA-O 3.3Å; F935-N960 HydrophobicContact CD1-CB 3.65Å; F935-N960 HydrophobicContact CE1-CB 3.9Å; F935-N960 HydrophobicContact CG-CB 4.38Å; Y936-N960 PolarHBondContact N-O 2.76Å
961	F	87.9	Confident	70.8	Confident	53 Å²	53	98.3 Å²	98.3	23%	0.232	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.1	179.8	-56.5	-66.7	0	0	0	110.5	Y936 L938 F946 I959	Y936-F961 WeakPolarHBondContact O-CA 3.37Å; L938-F961 HydrophobicContact CD1-CB 3.58Å; L938-F961 HydrophobicContact CD1-CD1 3.89Å; L938-F961 HydrophobicContact CD1-CG 3.75Å; L938-F961 HydrophobicContact CD2-CD1 3.9Å; L938-F961 HydrophobicContact CD2-CE1 4.4Å; L938-F961 HydrophobicContact CG-CB 4.03Å; L938-F961 HydrophobicContact CG-CD1 3.95Å; L938-F961 HydrophobicContact CG-CG 4.23Å; F946-F961 AromaticContact CD2-CE1 3.98Å; F946-F961 HydrophobicContact CD2-CE1 3.98Å; F946-F961 AromaticContact CD2-CZ 3.86Å; F946-F961 HydrophobicContact CD2-CZ 3.86Å; F946-F961 HydrophobicContact CE1-CE1 4.02Å; F946-F961 HydrophobicContact CE2-CD1 4.34Å; F946-F961 AromaticContact CE2-CE1 3.3Å; F946-F961 HydrophobicContact CE2-CE1 3.3Å; F946-F961 AromaticContact CE2-CZ 3.62Å; F946-F961 HydrophobicContact CE2-CZ 3.62Å; F946-F961 HydrophobicContact CZ-CD1 4.24Å; F946-F961 AromaticContact CZ-CE1 3.36Å; F946-F961 HydrophobicContact CZ-CE1 3.36Å; F946-F961 HydrophobicContact CZ-CZ 4.11Å; I959-F961 HydrophobicContact CB-CE2 4.49Å; I959-F961 HydrophobicContact CB-CZ 4.18Å; I959-F961 HydrophobicContact CD1-CE1 3.69Å; I959-F961 HydrophobicContact CD1-CZ 3.55Å; I959-F961 HydrophobicContact CG1-CE1 3.72Å; I959-F961 HydrophobicContact CG1-CE2 4.23Å; I959-F961 HydrophobicContact CG1-CZ 3.55Å; I959-F961 HydrophobicContact CG2-CE2 3.63Å; I959-F961 HydrophobicContact CG2-CZ 3.59Å
962	V	85.6	Confident	69.5	Low	47 Å²	47	94.1 Å²	94.1	29%	0.285	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.9	170.1	69.8	0	0	0	0	109.6	I926 F935 Y936 E937 L938	I926-V962 HydrophobicContact CD1-CG1 4.1Å; I926-V962 HydrophobicContact CG1-CG1 4.4Å; F935-V962 HydrophobicContact CB-CB 3.86Å; F935-V962 HydrophobicContact CB-CG1 3.62Å; F935-V962 HydrophobicContact CD1-CB 4.22Å; F935-V962 HydrophobicContact CG-CB 4.22Å; F935-V962 HydrophobicContact CG-CG1 4.43Å; Y936-V962 PolarHBondContact O-N 2.85Å; E937-V962 CarbonylContact C-O 3.56Å; E937-V962 VanDerWaalsContact CA-O 3.3Å; E937-V962 WeakPolarHBondContact CA-O 3.44Å; E937-V962 HydrophobicContact CB-CG1 4.33Å; L938-V962 PolarHBondContact N-O 2.98Å
963	T	78.6	Confident	67.9	Low	86 Å²	86	92.8 Å²	92.8	53%	0.528	51%	0.508	S	S	.	.			trans	-116.3	120.3	170.3	50.7	0	0	0	0	107.8	L938	L938-T963 HydrophobicContact CB-CG2 3.86Å
964	R	70.1	Confident	66.1	Low	161 Å²	161	102.7 Å²	102.7	61%	0.608	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-88.1	118.7	165.6	-72.1	-178	177.6	160.5	-0.5	108.1	E937	E937-R964 WeakPolarHBondContact OE1-CD 3.18Å
965	P	65.8	Low	64	Low	94 Å²	94	104.5 Å²	104.5	61%	0.61	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-58.2	137.2	171	22.9	-29.8	0	0	0	108.4	K967	P965-K967 PolarHBondContact O-N 3.34Å
966	P	62.2	Low	61.6	Low	93 Å²	93	106.5 Å²	106.5	60%	0.604	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-53.4	135.9	169.6	22.6	-30.5	0	0	0	107.2	V968	P966-V968 VanDerWaalsContact C-N 3.34Å; P966-V968 VanDerWaalsContact O-CG2 3.27Å; P966-V968 WeakPolarHBondContact O-CG2 3.27Å; P966-V968 PolarHBondContact O-N 2.85Å
967	K	51.5	Low	59.2	Low	218 Å²	218	115.7 Å²	115.7	95%	0.948	60%	0.603	S	S	*	*			trans	-52.6	96.8	-178.7	-75.2	-178.9	176.5	177.3	0	109.3	P965	P965-K967 PolarHBondContact O-N 3.34Å
968	V	53.7	Low	56.6	Low	122 Å²	122	122.3 Å²	122.3	74%	0.739	63%	0.627	S	S	*	*			trans	-87.6	115.8	173.5	-170.9	0	0	0	0	106.6	P966 S970	P966-V968 VanDerWaalsContact C-N 3.34Å; P966-V968 VanDerWaalsContact O-CG2 3.27Å; P966-V968 WeakPolarHBondContact O-CG2 3.27Å; P966-V968 PolarHBondContact O-N 2.85Å; V968-S970 PolarHBondContact O-N 2.92Å
969	S	47.1	Very low	54.1	Low	99 Å²	99	123.4 Å²	123.4	69%	0.692	64%	0.639	S	S	*	*			trans	-42.5	126.6	168.8	46.4	0	0	0	0	110.8
970	S	40.9	Very low	51.5	Low	95 Å²	95	128 Å²	128	66%	0.664	67%	0.671	S	S	*	*	S	Bend	trans	20.3	126.1	163.6	60.2	0	0	0	0	118.2	V968	V968-S970 PolarHBondContact O-N 2.92Å
971	Y	38.2	Very low	49.1	Very low	224 Å²	224	129 Å²	129	88%	0.878	68%	0.684	S	S	*	*			trans	89.4	74.7	169.8	-58.5	-84.4	0	0	0	116.7
972	S	40.3	Very low	46.3	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	72%	0.716	S	S	*	*				176.3	130.7	110.7	58.7	0	0	0	0	109.5	R974	S972-R974 PolarHBondContact O-N 3.37Å; S972-R974 VanDerWaalsContact O-N 3.1Å
973	S	35.5	Very low	43.6	Very low	125 Å²	125	137.5 Å²	137.5	87%	0.874	72%	0.715	S	S	*	*			trans	-63.1	105.2	173.1	51.7	0	0	0	0	109.6
974	R	36	Very low	41.4	Very low	226 Å²	226	141.2 Å²	141.2	85%	0.853	73%	0.732	S	S	*	*			trans	-112	126.6	164.2	-82	-169.9	178.1	-169.2	0.8	110.5	S972	S972-R974 PolarHBondContact O-N 3.37Å; S972-R974 VanDerWaalsContact O-N 3.1Å
975	T	34.3	Very low	39.7	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	73%	0.731	S	S	*	*			trans	-57.3	121.5	-177.4	-35	0	0	0	0	111.3	Y977	T975-Y977 PolarHBondContact O-N 3.45Å
976	C	31.8	Very low	37.9	Very low	120 Å²	120	136.1 Å²	136.1	81%	0.811	73%	0.727	S	S	*	*			trans	-72.1	113.5	170.9	-77.4	0	0	0	0	110	K978	C976-K978 PolarHBondContact O-N 3.35Å
977	Y	33.9	Very low	36.4	Very low	204 Å²	204	137.8 Å²	137.8	80%	0.8	74%	0.738	S	S	*	*			trans	-78.2	107	163.6	-74.2	-85.2	0	0	0	108.6	T975 Q979	T975-Y977 PolarHBondContact O-N 3.45Å; Y977-Q979 PolarHBondContact O-N 3.07Å
978	K	31.8	Very low	35.4	Very low	197 Å²	197	135.3 Å²	135.3	86%	0.857	73%	0.734	S	S	*	*			trans	-67.1	98.4	160.9	-104.7	-176.7	174.1	-179.3	0	107.1	C976	C976-K978 PolarHBondContact O-N 3.35Å
979	Q	34.9	Very low	34.3	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	76%	0.757	S	S	*	*			trans	-89	105.8	165.2	-81	-175.4	-14.6	0	0	108.4	Y977	Y977-Q979 PolarHBondContact O-N 3.07Å
980	S	31.4	Very low	33.7	Very low	103 Å²	103	142.8 Å²	142.8	72%	0.72	76%	0.76	S	S	*	*			trans	-84.9	115.1	159.6	48	0	0	0	0	108.1
981	A	40.1	Very low	33.3	Very low	51 Å²	51	145.3 Å²	145.3	42%	0.421	77%	0.765	S	S	.	*			trans	-81.3	120.7	170	0	0	0	0	0	108.6
982	R	28.7	Very low	33	Very low	237 Å²	237	140.9 Å²	140.9	89%	0.894	76%	0.759	S	S	*	*	B	Isolated β-bridge	trans	-81.3	117.2	165.9	-80.5	-176.1	177	-176.9	-1.3	107.9	N984	R982-N984 PolarHBondContact O-N 3.3Å
983	C	29.8	Very low	32.6	Very low	40 Å²	40	143.3 Å²	143.3	27%	0.27	76%	0.762	S	S	.	*			trans	-76.6	115.8	168.2	-75.6	0	0	0	0	108.5	T985	C983-T985 PolarHBondContact O-N 2.71Å
984	N	32.2	Very low	32.4	Very low	165 Å²	165	144.4 Å²	144.4	88%	0.882	76%	0.755	S	S	*	*			trans	-78.9	102	165.7	-94.8	-7.2	0	0	0	108.1	R982 G986	R982-N984 PolarHBondContact O-N 3.3Å; N984-G986 VanDerWaalsContact C-N 3.29Å; N984-G986 PolarHBondContact O-N 3.34Å
985	T	33.1	Very low	32.2	Very low	95 Å²	95	139 Å²	139	58%	0.583	75%	0.749	S	S	*	*			trans	-84.4	79.7	160.8	45.2	0	0	0	0	107.9	C983	C983-T985 PolarHBondContact O-N 2.71Å
986	G	29.3	Very low	32	Very low	52 Å²	52	140.4 Å²	140.4	54%	0.536	75%	0.75	S	S	.	*			trans	-76.9	146.2	164.8	0	0	0	0	0	109.5	N984 I988	N984-G986 VanDerWaalsContact C-N 3.29Å; N984-G986 PolarHBondContact O-N 3.34Å; G986-I988 PolarHBondContact O-N 3.1Å
987	P	30.5	Very low	32	Very low	129 Å²	129	142 Å²	142	84%	0.838	75%	0.745	S	S	*	*			trans	-63.2	123.9	173.8	27	-31.1	0	0	0	108.6	L989	P987-L989 PolarHBondContact O-N 3.34Å
988	I	30.1	Very low	31.9	Very low	166 Å²	166	136.8 Å²	136.8	85%	0.851	74%	0.741	S	S	*	*			trans	-72	115.8	164.8	-60.9	173.7	0	0	0	105.4	G986	G986-I988 PolarHBondContact O-N 3.1Å
989	L	30.8	Very low	31.9	Very low	235 Å²	235	131.4 Å²	131.4	100%	1.23	73%	0.73	S	S	*	*			trans	-53.8	0	177.4	-90.5	154.6	0	0	0	113.2	P987	P987-L989 PolarHBondContact O-N 3.34Å

Retrieved 989 of 989 residues in 794.6 ms (Link to these results)

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