A0A087WVR3_HUMAN Loading...

E3 ubiquitin-protein ligase UHRF

Multi domain E3 ubiquitin ligase that also plays a role in DNA methylation and histone modifications.

AlphaFold DB , UniProt , Accession A0A087WVR3, Species HUMAN (Homo sapiens, Human), Gene UHRF1, Length 806 aa.

						>A0A087WVR3_HUMAN|A0A087WVR3|UHRF1
MGVFAVPPLSADTMWIQVRTMDGRQTHTVDSLSRLTKVEELRRKIQELFHVEPGLQRLFYRGKQMEDGHTLFDYEVRLNDTIQLLVRQSLVLPHSTKERDSELSDTDSGCCLGQSESDKSSTHGEAAAETDSRPADEDMWDETELGLYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPKERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGEGSPMVDNPMRRKSGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRNDASEVVLAGERLRESKKKAKMASATSSSQRDWGKGMACVGRTKECTIVPSNHYGPIPGIPVGTMWRFRVQVSESGVHRPHVAGIHGRSNDGAYSLVLAGGYEDDVDHGNFFTYTGSGGRDLSGNKRTAEQSCDQKLTNTNRALALNCFAPINDQEGAEAKDWRSGKPVRVVRNVKGGKNSKYAPAEGNRYDGIYKVVKYWPEKGKSGFLVWRYLLRRDDDEPGPWTKEGKDRIKKLGLTMQYPEGYLEALANREREKENSKREEEEQQEGGFASPRTGKGKWKRKSAGGGPSRAGSPRRTSKKTKVEPYSLTAQQSSLIREDKSNAKLWNEVLASLKDRPASGSPFQLFLSKVEETFQCICCQELVFRPITTVCQHNVCKDCLDRSFRAQVFSCPACRYDLGRSYAMQVNQPLQTVLNQLFPGYGNGR
					

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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	37.2	Very low	33.6	Very low	255 Å²	255	136.5 Å²	136.5	100%	1.256	84%	0.84	S	S	*	*				0	101.2	0	-72.5	-169.1	-170.9	0	0	107.2
2	G	31.3	Very low	34.6	Very low	69 Å²	69	136.9 Å²	136.9	71%	0.711	83%	0.833	S	S	*	*			trans	-133.8	131.4	-176.8	0	0	0	0	0	109.1
3	V	36.7	Very low	36.2	Very low	143 Å²	143	132.7 Å²	132.7	87%	0.867	81%	0.808	S	S	*	*			trans	-66.9	130.5	-177.8	179.3	0	0	0	0	109.9
4	F	28.2	Very low	39.1	Very low	197 Å²	197	124.7 Å²	124.7	86%	0.864	76%	0.757	S	S	*	*			trans	-116.5	116	161.2	-87.4	-81.7	0	0	0	109
5	A	31.3	Very low	41.9	Very low	92 Å²	92	122 Å²	122	76%	0.76	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-70.6	133.1	171.5	0	0	0	0	0	109.9
6	V	31.8	Very low	44.9	Very low	134 Å²	134	114.4 Å²	114.4	81%	0.812	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-93.4	122.6	169.4	179.7	0	0	0	0	107.3
7	P	31.4	Very low	47.5	Very low	106 Å²	106	111.2 Å²	111.2	69%	0.688	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-77.6	154.5	174.3	31.6	-31.4	0	0	0	111
8	P	35	Very low	49.9	Very low	126 Å²	126	105.1 Å²	105.1	82%	0.818	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-74.4	136.8	-177.9	30.4	-32.7	0	0	0	111.4	S10	P8-S10 PolarHBondContact O-N 3.19Å
9	L	32.3	Very low	52	Low	178 Å²	178	105.7 Å²	105.7	93%	0.932	61%	0.613	S	S	*	*			trans	-69	112.6	175.8	-80.8	154.3	0	0	0	110.6
10	S	34.1	Very low	53.8	Low	107 Å²	107	101.2 Å²	101.2	75%	0.748	59%	0.587	S	S	*	*			trans	-80.9	116.4	170.4	76.3	0	0	0	0	110.1	P8	P8-S10 PolarHBondContact O-N 3.19Å
11	A	40.3	Very low	55.1	Low	95 Å²	95	100.9 Å²	100.9	79%	0.785	58%	0.581	S	S	*	*			trans	-100.7	85.6	-178.6	0	0	0	0	0	111.1
12	D	46.2	Very low	56.9	Low	141 Å²	141	93.5 Å²	93.5	75%	0.754	55%	0.547	S	S	*	.			trans	-145.5	51.1	165.1	-129	3.1	0	0	0	108.5
13	T	54.3	Low	58.9	Low	82 Å²	82	91.2 Å²	91.2	50%	0.503	52%	0.524	S	S	.	.			trans	-100.8	103.1	-171.4	47.5	0	0	0	0	111.6
14	M	76.9	Confident	60.7	Low	21 Å²	21	94.6 Å²	94.6	10%	0.103	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.8	163.5	177.5	-175.1	167.6	0	0	109.3	I16 S31 L32 R34 L71 V76 R77 L78	M14-I16 HydrophobicContact CE-CG2 3.63Å; M14-S31 PolarHBondContact O-N 3.21Å; M14-L32 WeakPolarHBondContact CA-O 3.23Å; M14-L32 HydrophobicContact CB-CB 4.34Å; M14-L32 VanDerWaalsContact CB-O 3.32Å; M14-L32 WeakPolarHBondContact CB-O 3.48Å; M14-L32 PolarHBondContact N-O 3.17Å; M14-L32 WeakPolarHBondContact O-CA 3.3Å; M14-L32 WeakPolarHBondContact O-CB 3.36Å; M14-L32 PolarHBondContact O-N 2.82Å; M14-R34 HydrophobicContact SD-CG 4.22Å; M14-L71 HydrophobicContact CE-CD1 4.28Å; M14-V76 HydrophobicContact CE-CB 4.24Å; M14-V76 HydrophobicContact CE-CG1 3.85Å; M14-V76 WeakPolarHBondContact CE-O 3.48Å; M14-R77 WeakPolarHBondContact CE-O 3.17Å; M14-L78 HydrophobicContact CB-CD1 4.29Å; M14-L78 HydrophobicContact CG-CD1 4.01Å
15	W	81.5	Confident	63.1	Low	84 Å²	84	90 Å²	90	32%	0.318	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.3	169.8	64.4	-91.9	0	0	0	110.4	Q17 T28 V29 D30 L78 N79	W15-Q17 HydrophobicContact CZ3-CG 4.01Å; W15-T28 HydrophobicContact CB-CG2 4.2Å; W15-T28 HydrophobicContact CD2-CG2 4.12Å; W15-T28 HydrophobicContact CE3-CG2 3.53Å; W15-T28 HydrophobicContact CG-CG2 4.43Å; W15-T28 HydrophobicContact CZ3-CG2 4.15Å; W15-V29 CarbonylContact C-O 3.47Å; W15-V29 VanDerWaalsContact CA-O 3.23Å; W15-V29 WeakPolarHBondContact CA-O 3.42Å; W15-V29 WeakPolarHBondContact CB-O 3.49Å; W15-D30 HydrophobicContact CB-CB 4.12Å; W15-L78 HydrophobicContact CG-CD1 4.19Å; W15-N79 HydrophobicContact CE3-CB 4.39Å; W15-N79 HydrophobicContact CH2-CB 3.58Å; W15-N79 WeakPolarHBondContact CH2-OD1 3.43Å; W15-N79 HydrophobicContact CZ2-CB 3.89Å; W15-N79 HydrophobicContact CZ3-CB 3.84Å; W15-N79 WeakPolarHBondContact CZ3-OD1 3.37Å; W15-N79 PolarHBondContact O-N 2.86Å
16	I	90.1	Very high	65.8	Low	0 Å²	0	88.7 Å²	88.7	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163.7	-179.5	67.2	-177.7	0	0	0	109.9	M14 V18 T28 V29 L32 L41 V76 I82	M14-I16 HydrophobicContact CE-CG2 3.63Å; I16-V18 HydrophobicContact CD1-CG2 4.4Å; I16-V18 HydrophobicContact CG1-CG2 4.44Å; I16-T28 WeakPolarHBondContact O-CA 3.39Å; I16-V29 HydrophobicContact CG1-CB 4.06Å; I16-V29 PolarHBondContact N-O 3.48Å; I16-V29 PolarHBondContact O-N 3.47Å; I16-L32 HydrophobicContact CB-CD1 4.32Å; I16-L32 HydrophobicContact CD1-CD1 3.55Å; I16-L32 HydrophobicContact CG1-CD1 3.51Å; I16-L32 HydrophobicContact CG2-CD1 4.11Å; I16-L41 HydrophobicContact CD1-CD1 3.77Å; I16-L41 HydrophobicContact CD1-CD2 3.96Å; I16-V76 HydrophobicContact CG2-CG1 3.85Å; I16-I82 HydrophobicContact CD1-CD1 3.44Å; I16-I82 VanDerWaalsContact CD1-CD1 3.44Å; I16-I82 HydrophobicContact CD1-CG1 4.22Å
17	Q	89	Confident	68.5	Low	61 Å²	61	86 Å²	86	29%	0.285	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.7	170.1	-64.3	-171.3	-21	0	0	109.6	W15 T26 D80 T81 I82	W15-Q17 HydrophobicContact CZ3-CG 4.01Å; Q17-T26 HydrophobicContact CB-CG2 4.38Å; Q17-D80 PolarHBondContact N-O 3.03Å; Q17-T81 HydrophobicContact CB-CG2 4.21Å; Q17-T81 CarbonylContact O-C 3.22Å; Q17-T81 VanDerWaalsContact O-CA 3.27Å; Q17-T81 WeakPolarHBondContact O-CA 3.49Å; Q17-I82 PolarHBondContact O-N 2.71Å
18	V	91.1	Very high	71.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	168	177.6	0	0	0	0	107.2	I16 T26 H27 V29 I45 F49 I82 L84	I16-V18 HydrophobicContact CD1-CG2 4.4Å; I16-V18 HydrophobicContact CG1-CG2 4.44Å; V18-T26 CarbonylContact O-C 3.54Å; V18-T26 VanDerWaalsContact O-CA 3.29Å; V18-T26 WeakPolarHBondContact O-CA 3.4Å; V18-H27 PolarHBondContact N-O 3.37Å; V18-H27 PolarHBondContact O-N 2.96Å; V18-V29 HydrophobicContact CB-CG2 4.2Å; V18-V29 HydrophobicContact CG2-CG2 3.53Å; V18-I45 HydrophobicContact CG1-CD1 4Å; V18-I45 HydrophobicContact CG1-CG1 4.3Å; V18-I45 HydrophobicContact CG2-CD1 3.78Å; V18-I45 HydrophobicContact CG2-CG1 4.01Å; V18-F49 HydrophobicContact CB-CE2 3.76Å; V18-F49 HydrophobicContact CB-CZ 3.95Å; V18-F49 HydrophobicContact CG1-CD2 4.43Å; V18-F49 HydrophobicContact CG1-CE2 3.64Å; V18-F49 HydrophobicContact CG1-CZ 3.76Å; V18-F49 WeakPolarHBondContact O-CZ 3.39Å; V18-I82 CarbonylContact C-O 3.28Å; V18-I82 WeakPolarHBondContact CA-O 3.26Å; V18-I82 HydrophobicContact CG2-CB 4.39Å; V18-L84 HydrophobicContact CG1-CB 3.81Å; V18-L84 HydrophobicContact CG1-CD2 4.4Å
19	R	89.8	Confident	73.6	Confident	118 Å²	118	78.4 Å²	78.4	45%	0.445	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.5	-177.9	179.4	170.7	-171.5	-153.5	-1.8	110.3	G23 Q25 T26 T81 I82 Q83 L84	R19-G23 VanDerWaalsContact NE-CA 3.34Å; R19-G23 PolarHBondContact NE-O 3.07Å; R19-G23 VanDerWaalsContact NH2-CA 3.3Å; R19-G23 PolarHBondContact NH2-O 3.41Å; R19-G23 VanDerWaalsContact NH2-O 3.11Å; R19-Q25 CarbonylContact C-O 3.37Å; R19-Q25 WeakPolarHBondContact CA-O 3.48Å; R19-T26 HydrophobicContact CB-CG2 4.24Å; R19-T26 WeakPolarHBondContact CG-OG1 3.29Å; R19-T81 HydrophobicContact CB-CG2 3.81Å; R19-I82 PolarHBondContact N-O 2.65Å; R19-Q83 CarbonylContact O-C 3.49Å; R19-Q83 VanDerWaalsContact O-CA 3.29Å; R19-Q83 WeakPolarHBondContact O-CA 3.43Å; R19-L84 PolarHBondContact O-N 2.89Å
20	T	87.1	Confident	75.9	Confident	15 Å²	15	74.6 Å²	74.6	9%	0.092	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	147.1	174.5	54.1	0	0	0	0	111.3	D22 G23 R24 Q25 F49 L84	T20-D22 WeakPolarHBondContact CB-OD1 3.44Å; T20-D22 PolarHBondContact O-N 2.71Å; T20-D22 PolarHBondContact OG1-OD1 2.85Å; T20-G23 WeakPolarHBondContact O-CA 3.21Å; T20-G23 PolarHBondContact O-N 2.9Å; T20-R24 PolarHBondContact OG1-N 3.3Å; T20-Q25 HydrophobicContact CG2-CB 3.89Å; T20-Q25 PolarHBondContact N-O 3.24Å; T20-Q25 PolarHBondContact OG1-N 2.72Å; T20-Q25 PolarHBondContact OG1-O 3.31Å; T20-F49 HydrophobicContact CG2-CD1 4.1Å; T20-F49 HydrophobicContact CG2-CE1 3.96Å; T20-L84 CarbonylContact C-O 3.52Å; T20-L84 VanDerWaalsContact CA-O 3.31Å; T20-L84 WeakPolarHBondContact CA-O 3.45Å
21	M	81.4	Confident	78	Confident	94 Å²	94	72.6 Å²	72.6	46%	0.463	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.3	-178.9	-80.2	-66.2	-73.2	0	0	114	G23 Q83 L84 L85	M21-G23 PolarHBondContact O-N 2.72Å; M21-Q83 HydrophobicContact CG-CB 4.5Å; M21-Q83 HydrophobicContact SD-CB 3.6Å; M21-Q83 HydrophobicContact SD-CG 4.16Å; M21-Q83 PolarHBondContact SD-OE1 2.94Å; M21-Q83 VanDerWaalsContact SD-OE1 3.41Å; M21-L84 PolarHBondContact N-O 2.97Å; M21-L85 HydrophobicContact CB-CD1 4.07Å; M21-L85 HydrophobicContact CG-CB 3.7Å; M21-L85 HydrophobicContact CG-CD1 3.93Å; M21-L85 HydrophobicContact CG-CG 4.42Å
22	D	76	Confident	80	Confident	100 Å²	100	68.2 Å²	68.2	54%	0.535	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.2	174	68.2	-5.9	0	0	0	113.3	T20 R24	T20-D22 WeakPolarHBondContact CB-OD1 3.44Å; T20-D22 PolarHBondContact O-N 2.71Å; T20-D22 PolarHBondContact OG1-OD1 2.85Å; D22-R24 VanDerWaalsContact C-N 3.26Å; D22-R24 HydrophobicContact CB-CG 4.37Å; D22-R24 PolarHBondContact O-N 3.34Å; D22-R24 PolarHBondContact OD1-N 3.36Å; D22-R24 VanDerWaalsContact OD1-N 3.09Å; D22-R24 VanDerWaalsContact OD2-CD 3.23Å; D22-R24 WeakPolarHBondContact OD2-CD 3.38Å; D22-R24 WeakPolarHBondContact OD2-CG 3.18Å; D22-R24 IonicContact OD2-NE 3.72Å
23	G	72.6	Confident	81.6	Confident	22 Å²	22	63.8 Å²	63.8	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	73.5	6.1	177.3	0	0	0	0	0	115.8	R19 T20 M21	R19-G23 VanDerWaalsContact NE-CA 3.34Å; R19-G23 PolarHBondContact NE-O 3.07Å; R19-G23 VanDerWaalsContact NH2-CA 3.3Å; R19-G23 PolarHBondContact NH2-O 3.41Å; R19-G23 VanDerWaalsContact NH2-O 3.11Å; T20-G23 WeakPolarHBondContact O-CA 3.21Å; T20-G23 PolarHBondContact O-N 2.9Å; M21-G23 PolarHBondContact O-N 2.72Å
24	R	74.3	Confident	82.4	Confident	213 Å²	213	66.9 Å²	66.9	80%	0.804	33%	0.325	S	S	*	.	S	Bend	trans	-80.1	-31.8	-172.4	-66.1	-174.2	-176	-178.2	-0.9	114.6	T20 D22	T20-R24 PolarHBondContact OG1-N 3.3Å; D22-R24 VanDerWaalsContact C-N 3.26Å; D22-R24 HydrophobicContact CB-CG 4.37Å; D22-R24 PolarHBondContact O-N 3.34Å; D22-R24 PolarHBondContact OD1-N 3.36Å; D22-R24 VanDerWaalsContact OD1-N 3.09Å; D22-R24 VanDerWaalsContact OD2-CD 3.23Å; D22-R24 WeakPolarHBondContact OD2-CD 3.38Å; D22-R24 WeakPolarHBondContact OD2-CG 3.18Å; D22-R24 IonicContact OD2-NE 3.72Å
25	Q	79.6	Confident	82.4	Confident	101 Å²	101	72 Å²	72	47%	0.472	35%	0.353	S	S	.	.			trans	-124	136.9	179.9	-70.8	179.7	-9.4	0	0	110.6	R19 T20 F49	R19-Q25 CarbonylContact C-O 3.37Å; R19-Q25 WeakPolarHBondContact CA-O 3.48Å; T20-Q25 HydrophobicContact CG2-CB 3.89Å; T20-Q25 PolarHBondContact N-O 3.24Å; T20-Q25 PolarHBondContact OG1-N 2.72Å; T20-Q25 PolarHBondContact OG1-O 3.31Å; Q25-F49 HydrophobicContact CB-CE1 4.06Å
26	T	87.9	Confident	82.6	Confident	65 Å²	65	68.4 Å²	68.4	40%	0.399	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.9	174.4	-55.3	0	0	0	0	108.5	Q17 V18 R19	Q17-T26 HydrophobicContact CB-CG2 4.38Å; V18-T26 CarbonylContact O-C 3.54Å; V18-T26 VanDerWaalsContact O-CA 3.29Å; V18-T26 WeakPolarHBondContact O-CA 3.4Å; R19-T26 HydrophobicContact CB-CG2 4.24Å; R19-T26 WeakPolarHBondContact CG-OG1 3.29Å
27	H	87.6	Confident	82.5	Confident	77 Å²	77	72.7 Å²	72.7	36%	0.356	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145	175.8	-72.2	-82.9	0	0	0	110.4	V18 F49	V18-H27 PolarHBondContact N-O 3.37Å; V18-H27 PolarHBondContact O-N 2.96Å; H27-F49 HydrophobicContact CB-CE2 3.67Å; H27-F49 HydrophobicContact CB-CZ 3.68Å; H27-F49 AromaticContact CD2-CE1 3.64Å; H27-F49 AromaticContact CD2-CE2 3.96Å; H27-F49 AromaticContact CD2-CZ 3.55Å
28	T	87.4	Confident	82.6	Confident	72 Å²	72	69.8 Å²	69.8	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.2	171.2	-59.6	0	0	0	0	108.9	W15 I16	W15-T28 HydrophobicContact CB-CG2 4.2Å; W15-T28 HydrophobicContact CD2-CG2 4.12Å; W15-T28 HydrophobicContact CE3-CG2 3.53Å; W15-T28 HydrophobicContact CG-CG2 4.43Å; W15-T28 HydrophobicContact CZ3-CG2 4.15Å; I16-T28 WeakPolarHBondContact O-CA 3.39Å
29	V	87.1	Confident	82.5	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.1	171.2	-171	0	0	0	0	107.5	W15 I16 V18 L32 L41 K44 I45 L48	W15-V29 CarbonylContact C-O 3.47Å; W15-V29 VanDerWaalsContact CA-O 3.23Å; W15-V29 WeakPolarHBondContact CA-O 3.42Å; W15-V29 WeakPolarHBondContact CB-O 3.49Å; I16-V29 HydrophobicContact CG1-CB 4.06Å; I16-V29 PolarHBondContact N-O 3.48Å; I16-V29 PolarHBondContact O-N 3.47Å; V18-V29 HydrophobicContact CB-CG2 4.2Å; V18-V29 HydrophobicContact CG2-CG2 3.53Å; V29-L32 HydrophobicContact CB-CD1 4.22Å; V29-L32 HydrophobicContact CG1-CD1 4.01Å; V29-L32 HydrophobicContact CG1-CD2 4.2Å; V29-L32 HydrophobicContact CG1-CG 4.26Å; V29-L41 HydrophobicContact CG1-CD1 4.06Å; V29-K44 HydrophobicContact CG1-CB 3.87Å; V29-K44 HydrophobicContact CG1-CD 3.92Å; V29-I45 HydrophobicContact CG2-CG1 4.33Å; V29-L48 HydrophobicContact CB-CD1 4.3Å; V29-L48 HydrophobicContact CG1-CD1 4.34Å; V29-L48 HydrophobicContact CG2-CD1 3.74Å
30	D	79.8	Confident	82.4	Confident	97 Å²	97	71.4 Å²	71.4	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	179.8	180	68.8	37.4	0	0	0	112.8	W15 L32 K44	W15-D30 HydrophobicContact CB-CB 4.12Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.28Å; D30-K44 PolarHBondContact O-NZ 3.05Å
31	S	78.8	Confident	82.6	Confident	66 Å²	66	70.7 Å²	70.7	46%	0.462	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.4	32.9	174.6	-48.2	0	0	0	0	114.1	M14 K44	M14-S31 PolarHBondContact O-N 3.21Å; S31-K44 PolarHBondContact O-NZ 2.84Å
32	L	81.1	Confident	83.1	Confident	2 Å²	2	67 Å²	67	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	163.2	177.6	-59.6	169.4	0	0	0	110.8	M14 I16 V29 D30 T36 L41 K44 L71	M14-L32 WeakPolarHBondContact CA-O 3.23Å; M14-L32 HydrophobicContact CB-CB 4.34Å; M14-L32 VanDerWaalsContact CB-O 3.32Å; M14-L32 WeakPolarHBondContact CB-O 3.48Å; M14-L32 PolarHBondContact N-O 3.17Å; M14-L32 WeakPolarHBondContact O-CA 3.3Å; M14-L32 WeakPolarHBondContact O-CB 3.36Å; M14-L32 PolarHBondContact O-N 2.82Å; I16-L32 HydrophobicContact CB-CD1 4.32Å; I16-L32 HydrophobicContact CD1-CD1 3.55Å; I16-L32 HydrophobicContact CG1-CD1 3.51Å; I16-L32 HydrophobicContact CG2-CD1 4.11Å; V29-L32 HydrophobicContact CB-CD1 4.22Å; V29-L32 HydrophobicContact CG1-CD1 4.01Å; V29-L32 HydrophobicContact CG1-CD2 4.2Å; V29-L32 HydrophobicContact CG1-CG 4.26Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.28Å; L32-T36 HydrophobicContact CD2-CG2 3.8Å; L32-L41 HydrophobicContact CD1-CD1 4.21Å; L32-L41 HydrophobicContact CD2-CD1 4.16Å; L32-K44 HydrophobicContact CD2-CD 3.72Å; L32-L71 HydrophobicContact CB-CD1 4.21Å; L32-L71 HydrophobicContact CD1-CD1 4.08Å
33	S	79.8	Confident	83.8	Confident	48 Å²	48	68.4 Å²	68.4	34%	0.336	33%	0.332	S	S	.	.			trans	-127.6	164.3	168.1	78.5	0	0	0	0	109.6	L35 T36	S33-L35 PolarHBondContact O-N 3.12Å; S33-L35 VanDerWaalsContact O-N 3.17Å; S33-L35 PolarHBondContact OG-N 3.49Å; S33-T36 PolarHBondContact N-OG1 2.77Å; S33-T36 VanDerWaalsContact O-CB 3.24Å; S33-T36 WeakPolarHBondContact O-CB 3.47Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact O-OG1 3.04Å; S33-T36 PolarHBondContact OG-N 3.48Å; S33-T36 VanDerWaalsContact OG-N 3.14Å; S33-T36 PolarHBondContact OG-OG1 3.16Å
34	R	72.8	Confident	84.5	Confident	147 Å²	147	69.1 Å²	69.1	56%	0.555	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.6	172	-80.7	-173.4	155.2	167.3	-2.8	113	M14 F72	M14-R34 HydrophobicContact SD-CG 4.22Å; R34-F72 HydrophobicContact CB-CB 4.26Å; R34-F72 WeakPolarHBondContact O-CB 3.46Å; R34-F72 PolarHBondContact O-N 2.9Å
35	L	75.7	Confident	85.3	Confident	130 Å²	130	59 Å²	59	68%	0.681	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1.1	178.3	-59	176.9	0	0	0	112.9	S33 K37 T70	S33-L35 PolarHBondContact O-N 3.12Å; S33-L35 VanDerWaalsContact O-N 3.17Å; S33-L35 PolarHBondContact OG-N 3.49Å; L35-K37 PolarHBondContact O-N 3.4Å; L35-T70 WeakPolarHBondContact O-CG2 3.42Å
36	T	84.9	Confident	85.7	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.043	28%	0.279	C	S	.	.			trans	-61.4	126.6	176.1	-67.5	0	0	0	0	109.1	L32 S33 E40 T70 L71	L32-T36 HydrophobicContact CD2-CG2 3.8Å; S33-T36 PolarHBondContact N-OG1 2.77Å; S33-T36 VanDerWaalsContact O-CB 3.24Å; S33-T36 WeakPolarHBondContact O-CB 3.47Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact O-OG1 3.04Å; S33-T36 PolarHBondContact OG-N 3.48Å; S33-T36 VanDerWaalsContact OG-N 3.14Å; S33-T36 PolarHBondContact OG-OG1 3.16Å; T36-E40 HydrophobicContact CG2-CB 4.1Å; T36-E40 HydrophobicContact CG2-CG 3.97Å; T36-T70 CarbonylContact O-C 3.5Å; T36-T70 VanDerWaalsContact O-CA 3.28Å; T36-T70 WeakPolarHBondContact O-CA 3.42Å; T36-L71 HydrophobicContact CG2-CD1 4.48Å; T36-L71 PolarHBondContact O-N 2.74Å
37	K	88.9	Confident	85.5	Confident	91 Å²	91	59.8 Å²	59.8	40%	0.396	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-75.9	153.3	178.6	-68.4	-173.6	178.8	-174.1	0	111.4	L35 E39 E40 L41 H69 T70	L35-K37 PolarHBondContact O-N 3.4Å; K37-E39 VanDerWaalsContact C-N 3.27Å; K37-E39 HydrophobicContact CB-CG 3.83Å; K37-E39 HydrophobicContact CD-CG 4.34Å; K37-E39 WeakPolarHBondContact CD-OE1 3.41Å; K37-E39 IonicContact NZ-OE1 3.48Å; K37-E39 PolarHBondContact NZ-OE1 2.92Å; K37-E39 PolarHBondContact O-N 3.47Å; K37-E40 WeakPolarHBondContact O-CB 3.4Å; K37-E40 PolarHBondContact O-N 3.17Å; K37-E40 VanDerWaalsContact O-N 3.08Å; K37-L41 PolarHBondContact O-N 3.28Å; K37-H69 CarbonylContact C-O 3.53Å; K37-H69 VanDerWaalsContact CA-O 3.24Å; K37-H69 WeakPolarHBondContact CA-O 3.42Å; K37-T70 HydrophobicContact CG-CG2 4.15Å
38	V	90.6	Very high	85.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-38.2	178.1	178	0	0	0	0	111.4	E40 L41 R42 L58 M65 E66 H69 Y74	V38-E40 VanDerWaalsContact C-N 3.28Å; V38-E40 PolarHBondContact O-N 3.35Å; V38-L41 WeakPolarHBondContact O-CB 3.48Å; V38-L41 PolarHBondContact O-N 3.36Å; V38-R42 HydrophobicContact CG1-CG 4.45Å; V38-R42 WeakPolarHBondContact O-CG 3.36Å; V38-R42 PolarHBondContact O-N 3.27Å; V38-L58 HydrophobicContact CG1-CD1 4.35Å; V38-M65 HydrophobicContact CG1-CB 3.9Å; V38-M65 HydrophobicContact CG2-CB 4.08Å; V38-M65 HydrophobicContact CG2-CE 4Å; V38-E66 VanDerWaalsContact CB-O 3.23Å; V38-E66 WeakPolarHBondContact CB-O 3.36Å; V38-E66 VanDerWaalsContact CG2-O 3.29Å; V38-E66 WeakPolarHBondContact CG2-O 3.14Å; V38-H69 WeakPolarHBondContact CG2-O 3.49Å; V38-H69 PolarHBondContact N-O 2.86Å; V38-Y74 HydrophobicContact CG2-CD2 4.22Å; V38-Y74 HydrophobicContact CG2-CE2 3.74Å
39	E	89.3	Confident	85.3	Confident	79 Å²	79	56.6 Å²	56.6	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-37.8	174.5	63.1	-138.7	-152.6	0	0	112.9	K37 R43 D67 G68	K37-E39 VanDerWaalsContact C-N 3.27Å; K37-E39 HydrophobicContact CB-CG 3.83Å; K37-E39 HydrophobicContact CD-CG 4.34Å; K37-E39 WeakPolarHBondContact CD-OE1 3.41Å; K37-E39 IonicContact NZ-OE1 3.48Å; K37-E39 PolarHBondContact NZ-OE1 2.92Å; K37-E39 PolarHBondContact O-N 3.47Å; E39-R43 PolarHBondContact O-N 3.22Å; E39-D67 HydrophobicContact CB-CB 4.15Å; E39-D67 PolarHBondContact N-OD1 2.82Å; E39-G68 PolarHBondContact OE2-N 2.92Å
40	E	88	Confident	85.2	Confident	72 Å²	72	64.4 Å²	64.4	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-73.8	-38.4	176.7	176.4	171.2	-147.8	0	0	111.5	T36 K37 V38 R42 R43 K44	T36-E40 HydrophobicContact CG2-CB 4.1Å; T36-E40 HydrophobicContact CG2-CG 3.97Å; K37-E40 WeakPolarHBondContact O-CB 3.4Å; K37-E40 PolarHBondContact O-N 3.17Å; K37-E40 VanDerWaalsContact O-N 3.08Å; V38-E40 VanDerWaalsContact C-N 3.28Å; V38-E40 PolarHBondContact O-N 3.35Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R43 PolarHBondContact O-N 3.39Å; E40-R43 IonicContact OE1-NH2 3.55Å; E40-K44 PolarHBondContact O-N 2.91Å
41	L	91.4	Very high	85.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-42.5	172.3	174.4	62.2	0	0	0	111.2	I16 V29 L32 K37 V38 R43 K44 I45 L58 M65 L71 I82	I16-L41 HydrophobicContact CD1-CD1 3.77Å; I16-L41 HydrophobicContact CD1-CD2 3.96Å; V29-L41 HydrophobicContact CG1-CD1 4.06Å; L32-L41 HydrophobicContact CD1-CD1 4.21Å; L32-L41 HydrophobicContact CD2-CD1 4.16Å; K37-L41 PolarHBondContact O-N 3.28Å; V38-L41 WeakPolarHBondContact O-CB 3.48Å; V38-L41 PolarHBondContact O-N 3.36Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.38Å; L41-K44 PolarHBondContact O-N 3.39Å; L41-K44 VanDerWaalsContact O-N 3.14Å; L41-I45 HydrophobicContact CD1-CD1 3.99Å; L41-I45 HydrophobicContact CD1-CG1 4.15Å; L41-I45 HydrophobicContact CD2-CD1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.79Å; L41-I45 HydrophobicContact CG-CG1 4.37Å; L41-I45 WeakPolarHBondContact O-CG1 3.17Å; L41-I45 PolarHBondContact O-N 2.98Å; L41-L58 HydrophobicContact CD2-CD1 4.01Å; L41-L58 HydrophobicContact CG-CD1 4.26Å; L41-M65 HydrophobicContact CD2-CE 4.34Å; L41-L71 HydrophobicContact CD2-CD2 3.76Å; L41-I82 HydrophobicContact CD2-CD1 3.57Å
42	R	91.6	Very high	85.7	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-39.9	177.6	-72.4	170.7	-177.4	-79.2	-5.1	112.6	V38 E40 K44 I45 Q46 P53 Q56 L58 M65 D67	V38-R42 HydrophobicContact CG1-CG 4.45Å; V38-R42 WeakPolarHBondContact O-CG 3.36Å; V38-R42 PolarHBondContact O-N 3.27Å; E40-R42 VanDerWaalsContact C-N 3.34Å; R42-K44 VanDerWaalsContact C-N 3.35Å; R42-I45 PolarHBondContact O-N 2.83Å; R42-Q46 PolarHBondContact O-N 3.39Å; R42-P53 HydrophobicContact CB-CB 4.08Å; R42-P53 PolarHBondContact NH1-O 2.88Å; R42-Q56 VanDerWaalsContact CA-OE1 3.22Å; R42-Q56 PolarHBondContact NH1-O 2.83Å; R42-Q56 PolarHBondContact O-NE2 3.06Å; R42-Q56 PolarHBondContact O-OE1 2.94Å; R42-L58 HydrophobicContact CG-CD1 3.76Å; R42-M65 PolarHBondContact NH2-O 2.95Å; R42-D67 WeakPolarHBondContact CD-OD1 3.14Å; R42-D67 IonicContact CZ-OD1 3.91Å; R42-D67 IonicContact NE-OD1 2.84Å; R42-D67 PolarHBondContact NE-OD1 2.99Å
43	R	89.9	Confident	86	Confident	128 Å²	128	64.4 Å²	64.4	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-42	174.6	-174.9	178.1	59.7	-163.8	-3.6	111.8	E39 E40 L41 Q46 E47	E39-R43 PolarHBondContact O-N 3.22Å; E40-R43 PolarHBondContact O-N 3.39Å; E40-R43 IonicContact OE1-NH2 3.55Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.38Å; R43-Q46 WeakPolarHBondContact O-CB 3.09Å; R43-Q46 PolarHBondContact O-N 2.82Å; R43-E47 PolarHBondContact O-N 3.04Å
44	K	88.4	Confident	86	Confident	37 Å²	37	65.4 Å²	65.4	16%	0.161	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-36.2	175	-68.5	-173.4	173	-159.9	0	112.9	V29 D30 S31 L32 E40 L41 R42 Q46 E47 L48	V29-K44 HydrophobicContact CG1-CB 3.87Å; V29-K44 HydrophobicContact CG1-CD 3.92Å; D30-K44 PolarHBondContact O-NZ 3.05Å; S31-K44 PolarHBondContact O-NZ 2.84Å; L32-K44 HydrophobicContact CD2-CD 3.72Å; E40-K44 PolarHBondContact O-N 2.91Å; L41-K44 PolarHBondContact O-N 3.39Å; L41-K44 VanDerWaalsContact O-N 3.14Å; R42-K44 VanDerWaalsContact C-N 3.35Å; K44-Q46 VanDerWaalsContact C-N 3.31Å; K44-E47 PolarHBondContact O-N 3.39Å; K44-L48 PolarHBondContact O-N 2.67Å
45	I	90.2	Very high	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-34.4	174.8	-69.2	171.8	0	0	0	110.9	V18 V29 L41 R42 E47 L48 F49 Q56 L58 L84	V18-I45 HydrophobicContact CG1-CD1 4Å; V18-I45 HydrophobicContact CG1-CG1 4.3Å; V18-I45 HydrophobicContact CG2-CD1 3.78Å; V18-I45 HydrophobicContact CG2-CG1 4.01Å; V29-I45 HydrophobicContact CG2-CG1 4.33Å; L41-I45 HydrophobicContact CD1-CD1 3.99Å; L41-I45 HydrophobicContact CD1-CG1 4.15Å; L41-I45 HydrophobicContact CD2-CD1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.79Å; L41-I45 HydrophobicContact CG-CG1 4.37Å; L41-I45 WeakPolarHBondContact O-CG1 3.17Å; L41-I45 PolarHBondContact O-N 2.98Å; R42-I45 PolarHBondContact O-N 2.83Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.4Å; I45-L48 PolarHBondContact O-N 3.45Å; I45-F49 HydrophobicContact CG2-CB 4.34Å; I45-F49 HydrophobicContact CG2-CD2 3.78Å; I45-F49 HydrophobicContact CG2-CE2 4.49Å; I45-F49 HydrophobicContact CG2-CG 4.32Å; I45-F49 WeakPolarHBondContact O-CB 3.44Å; I45-F49 PolarHBondContact O-N 3.46Å; I45-Q56 HydrophobicContact CG2-CG 4.39Å; I45-L58 HydrophobicContact CD1-CD1 3.7Å; I45-L58 HydrophobicContact CD1-CD2 3.46Å; I45-L58 VanDerWaalsContact CD1-CD2 3.46Å; I45-L58 HydrophobicContact CD1-CG 4.23Å; I45-L84 HydrophobicContact CG2-CD1 4.31Å; I45-L84 HydrophobicContact CG2-CD2 3.79Å
46	Q	89.3	Confident	87.3	Confident	51 Å²	51	54.8 Å²	54.8	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-42.8	174	179	-176	16.3	0	0	111.3	R42 R43 K44 L48 H50 V51 E52 P53	R42-Q46 PolarHBondContact O-N 3.39Å; R43-Q46 WeakPolarHBondContact O-CB 3.09Å; R43-Q46 PolarHBondContact O-N 2.82Å; K44-Q46 VanDerWaalsContact C-N 3.31Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 2.93Å; Q46-H50 WeakPolarHBondContact O-CA 3.23Å; Q46-H50 PolarHBondContact O-N 3.46Å; Q46-V51 WeakPolarHBondContact CA-O 3.19Å; Q46-V51 WeakPolarHBondContact CB-O 3.4Å; Q46-V51 WeakPolarHBondContact CG-O 3.26Å; Q46-E52 PolarHBondContact NE2-OE1 3.16Å; Q46-E52 PolarHBondContact NE2-OE2 2.79Å; Q46-P53 HydrophobicContact CB-CG 4.38Å; Q46-P53 VanDerWaalsContact CD-CD 3.45Å
47	E	83.9	Confident	87.5	Confident	133 Å²	133	57.9 Å²	57.9	62%	0.621	29%	0.285	S	S	*	.	H	α-helix	trans	-63.3	-35.6	177.6	-68.6	172.5	-174	0	0	112.5	R43 K44 I45 H50	R43-E47 PolarHBondContact O-N 3.04Å; K44-E47 PolarHBondContact O-N 3.39Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.4Å; E47-H50 PolarHBondContact O-CE1 2.79Å
48	L	85.2	Confident	87.6	Confident	67 Å²	67	53.6 Å²	53.6	35%	0.351	27%	0.266	S	S	.	.	H	α-helix	trans	-91.9	-37	-173.9	-68.2	169.5	0	0	0	114.7	V29 K44 I45 Q46	V29-L48 HydrophobicContact CB-CD1 4.3Å; V29-L48 HydrophobicContact CG1-CD1 4.34Å; V29-L48 HydrophobicContact CG2-CD1 3.74Å; K44-L48 PolarHBondContact O-N 2.67Å; I45-L48 PolarHBondContact O-N 3.45Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 2.93Å
49	F	85.4	Confident	87.4	Confident	15 Å²	15	55.5 Å²	55.5	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-104.6	-6.3	-177.9	-70.5	-97.6	0	0	0	112.8	V18 T20 Q25 H27 I45 V51 L84	V18-F49 HydrophobicContact CB-CE2 3.76Å; V18-F49 HydrophobicContact CB-CZ 3.95Å; V18-F49 HydrophobicContact CG1-CD2 4.43Å; V18-F49 HydrophobicContact CG1-CE2 3.64Å; V18-F49 HydrophobicContact CG1-CZ 3.76Å; V18-F49 WeakPolarHBondContact O-CZ 3.39Å; T20-F49 HydrophobicContact CG2-CD1 4.1Å; T20-F49 HydrophobicContact CG2-CE1 3.96Å; Q25-F49 HydrophobicContact CB-CE1 4.06Å; H27-F49 HydrophobicContact CB-CE2 3.67Å; H27-F49 HydrophobicContact CB-CZ 3.68Å; H27-F49 AromaticContact CD2-CE1 3.64Å; H27-F49 AromaticContact CD2-CE2 3.96Å; H27-F49 AromaticContact CD2-CZ 3.55Å; I45-F49 HydrophobicContact CG2-CB 4.34Å; I45-F49 HydrophobicContact CG2-CD2 3.78Å; I45-F49 HydrophobicContact CG2-CE2 4.49Å; I45-F49 HydrophobicContact CG2-CG 4.32Å; I45-F49 WeakPolarHBondContact O-CB 3.44Å; I45-F49 PolarHBondContact O-N 3.46Å; F49-V51 HydrophobicContact CB-CG2 4.08Å; F49-V51 WeakPolarHBondContact O-CG2 3.42Å; F49-V51 PolarHBondContact O-N 3.28Å; F49-L84 HydrophobicContact CB-CD2 4.03Å; F49-L84 HydrophobicContact CD1-CD2 3.79Å; F49-L84 HydrophobicContact CD2-CD2 4.2Å; F49-L84 HydrophobicContact CE1-CD2 4.28Å; F49-L84 HydrophobicContact CG-CD2 3.74Å
50	H	84.2	Confident	87.2	Confident	165 Å²	165	52.3 Å²	52.3	76%	0.764	26%	0.259	S	S	*	.			trans	56.1	36.7	-176.3	-53.4	-56.4	0	0	0	113.6	Q46 E47	Q46-H50 WeakPolarHBondContact O-CA 3.23Å; Q46-H50 PolarHBondContact O-N 3.46Å; E47-H50 PolarHBondContact O-CE1 2.79Å
51	V	85.3	Confident	86.8	Confident	16 Å²	16	56 Å²	56	10%	0.097	27%	0.27	C	S	.	.			trans	-112.5	125.4	178.2	-177.7	0	0	0	0	109.4	Q46 F49 L55 Q56 V86	Q46-V51 WeakPolarHBondContact CA-O 3.19Å; Q46-V51 WeakPolarHBondContact CB-O 3.4Å; Q46-V51 WeakPolarHBondContact CG-O 3.26Å; F49-V51 HydrophobicContact CB-CG2 4.08Å; F49-V51 WeakPolarHBondContact O-CG2 3.42Å; F49-V51 PolarHBondContact O-N 3.28Å; V51-L55 HydrophobicContact CG1-CB 3.92Å; V51-Q56 HydrophobicContact CB-CG 4.03Å; V51-Q56 HydrophobicContact CG1-CG 3.64Å; V51-Q56 PolarHBondContact O-NE2 3.01Å; V51-V86 HydrophobicContact CG1-CB 4.49Å; V51-V86 HydrophobicContact CG1-CG1 3.76Å; V51-V86 HydrophobicContact CG1-CG2 4.21Å; V51-V86 HydrophobicContact CG2-CG1 4.06Å; V51-V86 HydrophobicContact CG2-CG2 3.74Å
52	E	84.3	Confident	85.8	Confident	111 Å²	111	59.3 Å²	59.3	52%	0.519	30%	0.304	S	S	.	.			trans	-57.8	138	176.3	-73.9	-59.9	129.5	0	0	112.2	Q46 G54 L55 Q56	Q46-E52 PolarHBondContact NE2-OE1 3.16Å; Q46-E52 PolarHBondContact NE2-OE2 2.79Å; E52-G54 PolarHBondContact O-N 2.94Å; E52-L55 HydrophobicContact CB-CD1 4.22Å; E52-L55 HydrophobicContact CB-CG 4.29Å; E52-L55 WeakPolarHBondContact O-CA 3.46Å; E52-L55 WeakPolarHBondContact O-CB 3.41Å; E52-L55 PolarHBondContact O-N 2.84Å; E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 3.25Å
53	P	86.2	Confident	84.8	Confident	37 Å²	37	65.3 Å²	65.3	24%	0.24	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-50.8	-35.9	-176.8	-32.1	37.2	0	0	0	114.8	R42 Q46 L55 Q56	R42-P53 HydrophobicContact CB-CB 4.08Å; R42-P53 PolarHBondContact NH1-O 2.88Å; Q46-P53 HydrophobicContact CB-CG 4.38Å; Q46-P53 VanDerWaalsContact CD-CD 3.45Å; P53-L55 VanDerWaalsContact C-N 3.28Å; P53-L55 PolarHBondContact O-N 3.46Å; P53-Q56 PolarHBondContact O-N 2.75Å
54	G	81.3	Confident	84.6	Confident	70 Å²	70	62.7 Å²	62.7	72%	0.722	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70.5	-18.5	177.3	0	0	0	0	0	114.8	E52	E52-G54 PolarHBondContact O-N 2.94Å
55	L	85.4	Confident	84.6	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.257	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-96.5	-10.8	175.6	-59.2	177.8	0	0	0	112.6	V51 E52 P53 R87	V51-L55 HydrophobicContact CG1-CB 3.92Å; E52-L55 HydrophobicContact CB-CD1 4.22Å; E52-L55 HydrophobicContact CB-CG 4.29Å; E52-L55 WeakPolarHBondContact O-CA 3.46Å; E52-L55 WeakPolarHBondContact O-CB 3.41Å; E52-L55 PolarHBondContact O-N 2.84Å; P53-L55 VanDerWaalsContact C-N 3.28Å; P53-L55 PolarHBondContact O-N 3.46Å; L55-R87 HydrophobicContact CD2-CB 4.33Å; L55-R87 PolarHBondContact O-N 2.91Å
56	Q	88.6	Confident	84.4	Confident	4 Å²	4	66 Å²	66	2%	0.019	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.4	177	-59.7	173.8	23.9	0	0	110.1	R42 I45 V51 E52 P53 L84	R42-Q56 VanDerWaalsContact CA-OE1 3.22Å; R42-Q56 PolarHBondContact NH1-O 2.83Å; R42-Q56 PolarHBondContact O-NE2 3.06Å; R42-Q56 PolarHBondContact O-OE1 2.94Å; I45-Q56 HydrophobicContact CG2-CG 4.39Å; V51-Q56 HydrophobicContact CB-CG 4.03Å; V51-Q56 HydrophobicContact CG1-CG 3.64Å; V51-Q56 PolarHBondContact O-NE2 3.01Å; E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 3.25Å; P53-Q56 PolarHBondContact O-N 2.75Å; Q56-L84 HydrophobicContact CB-CD1 3.75Å; Q56-L84 HydrophobicContact CG-CD1 3.93Å
57	R	89.5	Confident	84	Confident	73 Å²	73	67.9 Å²	67.9	28%	0.275	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113.6	163.1	-84	-179.3	165.8	-164	-12.6	108	F59 L85	R57-F59 HydrophobicContact CB-CE2 3.8Å; R57-F59 HydrophobicContact CB-CZ 4.34Å; R57-L85 HydrophobicContact CB-CB 3.96Å; R57-L85 HydrophobicContact CB-CD2 4.38Å; R57-L85 PolarHBondContact N-O 3.42Å; R57-L85 PolarHBondContact O-N 2.94Å
58	L	90.9	Very high	83.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	-177.3	-57.5	-179.7	0	0	0	109.2	V38 L41 R42 I45 Q64 M65 I82 Q83 L84	V38-L58 HydrophobicContact CG1-CD1 4.35Å; L41-L58 HydrophobicContact CD2-CD1 4.01Å; L41-L58 HydrophobicContact CG-CD1 4.26Å; R42-L58 HydrophobicContact CG-CD1 3.76Å; I45-L58 HydrophobicContact CD1-CD1 3.7Å; I45-L58 HydrophobicContact CD1-CD2 3.46Å; I45-L58 VanDerWaalsContact CD1-CD2 3.46Å; I45-L58 HydrophobicContact CD1-CG 4.23Å; L58-Q64 CarbonylContact O-C 3.53Å; L58-Q64 WeakPolarHBondContact O-CA 3.17Å; L58-M65 HydrophobicContact CB-CB 4.08Å; L58-M65 HydrophobicContact CB-CG 4.39Å; L58-M65 HydrophobicContact CB-SD 4.15Å; L58-M65 PolarHBondContact O-N 2.8Å; L58-I82 HydrophobicContact CB-CG2 3.98Å; L58-I82 HydrophobicContact CD2-CG2 4.28Å; L58-Q83 CarbonylContact C-O 3.52Å; L58-Q83 WeakPolarHBondContact CA-O 3.28Å; L58-L84 HydrophobicContact CD2-CB 4.25Å; L58-L84 HydrophobicContact CD2-CD1 3.64Å
59	F	87.3	Confident	82.8	Confident	40 Å²	40	64.5 Å²	64.5	18%	0.175	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.1	176.9	-62.5	-90.6	0	0	0	110.4	R57 K63 Q64 Q83 L85	R57-F59 HydrophobicContact CB-CE2 3.8Å; R57-F59 HydrophobicContact CB-CZ 4.34Å; F59-K63 CarbonylContact C-O 3.59Å; F59-K63 VanDerWaalsContact CA-O 3.25Å; F59-K63 WeakPolarHBondContact CA-O 3.43Å; F59-Q64 HydrophobicContact CD1-CB 4.01Å; F59-Q64 HydrophobicContact CD1-CG 4.42Å; F59-Q64 HydrophobicContact CE1-CB 3.75Å; F59-Q64 HydrophobicContact CE1-CG 3.99Å; F59-Q64 HydrophobicContact CZ-CG 4.29Å; F59-Q83 HydrophobicContact CB-CB 4.23Å; F59-Q83 PolarHBondContact N-O 3.14Å; F59-Q83 PolarHBondContact O-N 3.2Å; F59-L85 HydrophobicContact CD2-CB 4.44Å; F59-L85 HydrophobicContact CE2-CB 3.93Å; F59-L85 HydrophobicContact CE2-CD2 4.17Å
60	Y	85.9	Confident	82.8	Confident	12 Å²	12	64.7 Å²	64.7	5%	0.047	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124	172.7	-179.1	-113.9	0	0	0	109.3	G62 K63 Y74 V76 D80 I82	Y60-G62 PolarHBondContact O-N 2.89Å; Y60-K63 PolarHBondContact N-O 2.98Å; Y60-K63 WeakPolarHBondContact O-CB 3.36Å; Y60-K63 PolarHBondContact O-N 2.78Å; Y60-Y74 VanDerWaalsContact CD1-O 3.32Å; Y60-Y74 WeakPolarHBondContact CD1-O 3.45Å; Y60-Y74 WeakPolarHBondContact CE1-O 3.49Å; Y60-V76 HydrophobicContact CD1-CG2 3.59Å; Y60-V76 HydrophobicContact CD2-CG2 4.43Å; Y60-V76 HydrophobicContact CE1-CB 4.35Å; Y60-V76 HydrophobicContact CE1-CG2 3.78Å; Y60-V76 HydrophobicContact CG-CG2 3.93Å; Y60-D80 HydrophobicContact CE2-CB 3.8Å; Y60-D80 VanDerWaalsContact OH-CG 3.28Å; Y60-D80 PolarHBondContact OH-OD2 2.81Å; Y60-I82 HydrophobicContact CD2-CG1 4.2Å
61	R	79.4	Confident	82.6	Confident	151 Å²	151	56.9 Å²	56.9	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.9	-174.6	-62.1	-179.4	173.6	179.1	-1.5	113.7	K63 E75	R61-K63 PolarHBondContact O-N 3.16Å; R61-E75 IonicContact NH1-OE2 2.63Å
62	G	69.1	Low	82	Confident	68 Å²	68	61.8 Å²	61.8	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-5.3	-178.8	0	0	0	0	0	115.3	Y60	Y60-G62 PolarHBondContact O-N 2.89Å
63	K	71.1	Confident	81.4	Confident	144 Å²	144	60.8 Å²	60.8	63%	0.626	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.4	174.5	-62.7	-176.9	178.4	-178.5	0	110.5	F59 Y60 R61	F59-K63 CarbonylContact C-O 3.59Å; F59-K63 VanDerWaalsContact CA-O 3.25Å; F59-K63 WeakPolarHBondContact CA-O 3.43Å; Y60-K63 PolarHBondContact N-O 2.98Å; Y60-K63 WeakPolarHBondContact O-CB 3.36Å; Y60-K63 PolarHBondContact O-N 2.78Å; R61-K63 PolarHBondContact O-N 3.16Å
64	Q	86.6	Confident	80.7	Confident	73 Å²	73	60.7 Å²	60.7	34%	0.341	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.9	171	-168.3	-179.7	-61.9	0	0	109.3	L58 F59	L58-Q64 CarbonylContact O-C 3.53Å; L58-Q64 WeakPolarHBondContact O-CA 3.17Å; F59-Q64 HydrophobicContact CD1-CB 4.01Å; F59-Q64 HydrophobicContact CD1-CG 4.42Å; F59-Q64 HydrophobicContact CE1-CB 3.75Å; F59-Q64 HydrophobicContact CE1-CG 3.99Å; F59-Q64 HydrophobicContact CZ-CG 4.29Å
65	M	87.8	Confident	80.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-90.5	127.9	179.2	-56	174.3	70.3	0	0	110.4	V38 L41 R42 L58 L71 Y74 V76 I82	V38-M65 HydrophobicContact CG1-CB 3.9Å; V38-M65 HydrophobicContact CG2-CB 4.08Å; V38-M65 HydrophobicContact CG2-CE 4Å; L41-M65 HydrophobicContact CD2-CE 4.34Å; R42-M65 PolarHBondContact NH2-O 2.95Å; L58-M65 HydrophobicContact CB-CB 4.08Å; L58-M65 HydrophobicContact CB-CG 4.39Å; L58-M65 HydrophobicContact CB-SD 4.15Å; L58-M65 PolarHBondContact O-N 2.8Å; M65-L71 HydrophobicContact CE-CD2 3.69Å; M65-Y74 HydrophobicContact CB-CE1 4.36Å; M65-Y74 HydrophobicContact CB-CE2 4.22Å; M65-Y74 HydrophobicContact CE-CD2 3.97Å; M65-Y74 HydrophobicContact CE-CG 4.24Å; M65-Y74 HydrophobicContact CG-CD1 4.1Å; M65-Y74 HydrophobicContact CG-CD2 4.36Å; M65-Y74 HydrophobicContact CG-CE1 4.16Å; M65-Y74 HydrophobicContact CG-CE2 4.42Å; M65-Y74 HydrophobicContact CG-CG 4.22Å; M65-V76 HydrophobicContact CE-CG2 4.15Å; M65-I82 HydrophobicContact CE-CD1 3.84Å; M65-I82 HydrophobicContact SD-CD1 3.66Å; M65-I82 HydrophobicContact SD-CG1 4.18Å; M65-I82 HydrophobicContact SD-CG2 3.89Å
66	E	84.9	Confident	80.1	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	31%	0.309	S	S	.	.			trans	-112.8	149.3	-175.6	-59.2	-168.2	166.1	0	0	112.5	V38 Y74	V38-E66 VanDerWaalsContact CB-O 3.23Å; V38-E66 WeakPolarHBondContact CB-O 3.36Å; V38-E66 VanDerWaalsContact CG2-O 3.29Å; V38-E66 WeakPolarHBondContact CG2-O 3.14Å; E66-Y74 PolarHBondContact N-OH 3.47Å
67	D	82	Confident	79.5	Confident	90 Å²	90	66.4 Å²	66.4	48%	0.481	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	154.6	177.2	-63.9	-9.1	0	0	0	110.7	E39 R42 H69	E39-D67 HydrophobicContact CB-CB 4.15Å; E39-D67 PolarHBondContact N-OD1 2.82Å; R42-D67 WeakPolarHBondContact CD-OD1 3.14Å; R42-D67 IonicContact CZ-OD1 3.91Å; R42-D67 IonicContact NE-OD1 2.84Å; R42-D67 PolarHBondContact NE-OD1 2.99Å; D67-H69 VanDerWaalsContact C-N 3.25Å; D67-H69 PolarHBondContact O-N 2.81Å
68	G	69.9	Low	78.8	Confident	46 Å²	46	67.8 Å²	67.8	47%	0.474	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-19	-171.7	0	0	0	0	0	115.1	E39	E39-G68 PolarHBondContact OE2-N 2.92Å
69	H	74.5	Confident	78.1	Confident	82 Å²	82	71.4 Å²	71.4	38%	0.38	36%	0.359	S	S	.	.			trans	-97.5	160	175.1	-67.5	-73	0	0	0	112.4	K37 V38 D67 D73 Y74	K37-H69 CarbonylContact C-O 3.53Å; K37-H69 VanDerWaalsContact CA-O 3.24Å; K37-H69 WeakPolarHBondContact CA-O 3.42Å; V38-H69 WeakPolarHBondContact CG2-O 3.49Å; V38-H69 PolarHBondContact N-O 2.86Å; D67-H69 VanDerWaalsContact C-N 3.25Å; D67-H69 PolarHBondContact O-N 2.81Å; H69-D73 HydrophobicContact CB-CB 4.38Å; H69-D73 IonicContact ND1-OD2 2.98Å; H69-Y74 HydrophobicContact CB-CD2 4.47Å; H69-Y74 HydrophobicContact CB-CE2 3.53Å
70	T	85.2	Confident	78	Confident	20 Å²	20	70.7 Å²	70.7	12%	0.123	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-105.9	161.2	-178.9	65.8	0	0	0	0	112.4	L35 T36 K37 F72 D73 Y74	L35-T70 WeakPolarHBondContact O-CG2 3.42Å; T36-T70 CarbonylContact O-C 3.5Å; T36-T70 VanDerWaalsContact O-CA 3.28Å; T36-T70 WeakPolarHBondContact O-CA 3.42Å; K37-T70 HydrophobicContact CG-CG2 4.15Å; T70-F72 PolarHBondContact O-N 3.06Å; T70-D73 PolarHBondContact N-OD2 2.95Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 3.41Å; T70-D73 PolarHBondContact OG1-N 3.11Å; T70-D73 PolarHBondContact OG1-OD1 2.67Å; T70-D73 PolarHBondContact OG1-OD2 3.45Å; T70-Y74 WeakPolarHBondContact O-CD2 3.4Å
71	L	79.4	Confident	78	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.4	172.7	-63.3	-173.9	0	0	0	112.7	M14 L32 T36 L41 M65 Y74 E75 V76 I82	M14-L71 HydrophobicContact CE-CD1 4.28Å; L32-L71 HydrophobicContact CB-CD1 4.21Å; L32-L71 HydrophobicContact CD1-CD1 4.08Å; T36-L71 HydrophobicContact CG2-CD1 4.48Å; T36-L71 PolarHBondContact O-N 2.74Å; L41-L71 HydrophobicContact CD2-CD2 3.76Å; M65-L71 HydrophobicContact CE-CD2 3.69Å; L71-Y74 PolarHBondContact O-N 2.95Å; L71-E75 PolarHBondContact O-N 3.01Å; L71-V76 HydrophobicContact CB-CB 4.18Å; L71-V76 HydrophobicContact CD2-CG2 4.33Å; L71-V76 PolarHBondContact O-N 2.79Å; L71-I82 HydrophobicContact CD2-CD1 4.49Å
72	F	73.6	Confident	78.6	Confident	119 Å²	119	65.7 Å²	65.7	52%	0.522	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-39.9	173.4	-178.6	-99.9	0	0	0	112.9	R34 T70 Y74 E75	R34-F72 HydrophobicContact CB-CB 4.26Å; R34-F72 WeakPolarHBondContact O-CB 3.46Å; R34-F72 PolarHBondContact O-N 2.9Å; T70-F72 PolarHBondContact O-N 3.06Å; F72-Y74 PolarHBondContact O-N 3.26Å; F72-E75 WeakPolarHBondContact O-CA 3.24Å; F72-E75 PolarHBondContact O-N 3.36Å
73	D	71.6	Confident	79.6	Confident	90 Å²	90	66.9 Å²	66.9	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	179.9	-58.5	-35.5	0	0	0	112.2	H69 T70	H69-D73 HydrophobicContact CB-CB 4.38Å; H69-D73 IonicContact ND1-OD2 2.98Å; T70-D73 PolarHBondContact N-OD2 2.95Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 3.41Å; T70-D73 PolarHBondContact OG1-N 3.11Å; T70-D73 PolarHBondContact OG1-OD1 2.67Å; T70-D73 PolarHBondContact OG1-OD2 3.45Å
74	Y	71	Confident	80.6	Confident	36 Å²	36	60 Å²	60	14%	0.141	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.3	174.1	-65.6	-82.9	0	0	0	113.4	V38 Y60 M65 E66 H69 T70 L71 F72 V76	V38-Y74 HydrophobicContact CG2-CD2 4.22Å; V38-Y74 HydrophobicContact CG2-CE2 3.74Å; Y60-Y74 VanDerWaalsContact CD1-O 3.32Å; Y60-Y74 WeakPolarHBondContact CD1-O 3.45Å; Y60-Y74 WeakPolarHBondContact CE1-O 3.49Å; M65-Y74 HydrophobicContact CB-CE1 4.36Å; M65-Y74 HydrophobicContact CB-CE2 4.22Å; M65-Y74 HydrophobicContact CE-CD2 3.97Å; M65-Y74 HydrophobicContact CE-CG 4.24Å; M65-Y74 HydrophobicContact CG-CD1 4.1Å; M65-Y74 HydrophobicContact CG-CD2 4.36Å; M65-Y74 HydrophobicContact CG-CE1 4.16Å; M65-Y74 HydrophobicContact CG-CE2 4.42Å; M65-Y74 HydrophobicContact CG-CG 4.22Å; E66-Y74 PolarHBondContact N-OH 3.47Å; H69-Y74 HydrophobicContact CB-CD2 4.47Å; H69-Y74 HydrophobicContact CB-CE2 3.53Å; T70-Y74 WeakPolarHBondContact O-CD2 3.4Å; L71-Y74 PolarHBondContact O-N 2.95Å; F72-Y74 PolarHBondContact O-N 3.26Å; Y74-V76 PolarHBondContact O-N 3.35Å
75	E	79.3	Confident	80.7	Confident	131 Å²	131	59.5 Å²	59.5	61%	0.612	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	35.4	-175.5	-55.1	179.4	176.4	0	0	113.7	R61 L71 F72 R77	R61-E75 IonicContact NH1-OE2 2.63Å; L71-E75 PolarHBondContact O-N 3.01Å; F72-E75 WeakPolarHBondContact O-CA 3.24Å; F72-E75 PolarHBondContact O-N 3.36Å; E75-R77 PolarHBondContact O-N 3.41Å
76	V	74.6	Confident	80.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.322	C	S	.	.			trans	-70.9	125.5	176.2	-175.5	0	0	0	0	108.6	M14 I16 Y60 M65 L71 Y74 D80 I82	M14-V76 HydrophobicContact CE-CB 4.24Å; M14-V76 HydrophobicContact CE-CG1 3.85Å; M14-V76 WeakPolarHBondContact CE-O 3.48Å; I16-V76 HydrophobicContact CG2-CG1 3.85Å; Y60-V76 HydrophobicContact CD1-CG2 3.59Å; Y60-V76 HydrophobicContact CD2-CG2 4.43Å; Y60-V76 HydrophobicContact CE1-CB 4.35Å; Y60-V76 HydrophobicContact CE1-CG2 3.78Å; Y60-V76 HydrophobicContact CG-CG2 3.93Å; M65-V76 HydrophobicContact CE-CG2 4.15Å; L71-V76 HydrophobicContact CB-CB 4.18Å; L71-V76 HydrophobicContact CD2-CG2 4.33Å; L71-V76 PolarHBondContact O-N 2.79Å; Y74-V76 PolarHBondContact O-N 3.35Å; V76-D80 HydrophobicContact CG1-CB 4.26Å; V76-I82 HydrophobicContact CG1-CD1 4.35Å; V76-I82 HydrophobicContact CG2-CD1 4.46Å
77	R	75.7	Confident	80.5	Confident	111 Å²	111	63.4 Å²	63.4	42%	0.419	32%	0.319	S	S	.	.			trans	-104.7	172.1	178.9	-48.4	170.4	-66.7	-179.7	5.8	110.9	M14 E75 N79 D80	M14-R77 WeakPolarHBondContact CE-O 3.17Å; E75-R77 PolarHBondContact O-N 3.41Å; R77-N79 PolarHBondContact O-N 2.79Å; R77-D80 VanDerWaalsContact CA-OD2 3.31Å; R77-D80 WeakPolarHBondContact CA-OD2 3.45Å; R77-D80 WeakPolarHBondContact CB-OD2 3.39Å; R77-D80 WeakPolarHBondContact CG-OD2 3.42Å; R77-D80 IonicContact CZ-OD1 3.8Å; R77-D80 IonicContact CZ-OD2 4Å; R77-D80 PolarHBondContact N-OD2 2.81Å; R77-D80 IonicContact NE-OD1 3.83Å; R77-D80 IonicContact NE-OD2 3.07Å; R77-D80 PolarHBondContact NE-OD2 2.73Å; R77-D80 VanDerWaalsContact NE-OD2 3.09Å; R77-D80 IonicContact NH2-OD1 3.57Å; R77-D80 PolarHBondContact NH2-OD1 2.87Å; R77-D80 IonicContact NH2-OD2 2.64Å; R77-D80 WeakPolarHBondContact O-CB 3.42Å; R77-D80 PolarHBondContact O-N 2.91Å
78	L	74.5	Confident	79.9	Confident	102 Å²	102	68.1 Å²	68.1	53%	0.534	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135.1	175.2	-169.8	78.7	0	0	0	109.6	M14 W15 D80	M14-L78 HydrophobicContact CB-CD1 4.29Å; M14-L78 HydrophobicContact CG-CD1 4.01Å; W15-L78 HydrophobicContact CG-CD1 4.19Å; L78-D80 PolarHBondContact O-N 2.78Å; L78-D80 VanDerWaalsContact O-N 3.14Å
79	N	76	Confident	78.8	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	9.1	179.6	-169.8	36.7	0	0	0	115.3	W15 R77	W15-N79 HydrophobicContact CE3-CB 4.39Å; W15-N79 HydrophobicContact CH2-CB 3.58Å; W15-N79 WeakPolarHBondContact CH2-OD1 3.43Å; W15-N79 HydrophobicContact CZ2-CB 3.89Å; W15-N79 HydrophobicContact CZ3-CB 3.84Å; W15-N79 WeakPolarHBondContact CZ3-OD1 3.37Å; W15-N79 PolarHBondContact O-N 2.86Å; R77-N79 PolarHBondContact O-N 2.79Å
80	D	84.9	Confident	77.4	Confident	24 Å²	24	73.8 Å²	73.8	13%	0.128	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.4	171.2	-79.5	-28.1	0	0	0	110.3	Q17 Y60 V76 R77 L78	Q17-D80 PolarHBondContact N-O 3.03Å; Y60-D80 HydrophobicContact CE2-CB 3.8Å; Y60-D80 VanDerWaalsContact OH-CG 3.28Å; Y60-D80 PolarHBondContact OH-OD2 2.81Å; V76-D80 HydrophobicContact CG1-CB 4.26Å; R77-D80 VanDerWaalsContact CA-OD2 3.31Å; R77-D80 WeakPolarHBondContact CA-OD2 3.45Å; R77-D80 WeakPolarHBondContact CB-OD2 3.39Å; R77-D80 WeakPolarHBondContact CG-OD2 3.42Å; R77-D80 IonicContact CZ-OD1 3.8Å; R77-D80 IonicContact CZ-OD2 4Å; R77-D80 PolarHBondContact N-OD2 2.81Å; R77-D80 IonicContact NE-OD1 3.83Å; R77-D80 IonicContact NE-OD2 3.07Å; R77-D80 PolarHBondContact NE-OD2 2.73Å; R77-D80 VanDerWaalsContact NE-OD2 3.09Å; R77-D80 IonicContact NH2-OD1 3.57Å; R77-D80 PolarHBondContact NH2-OD1 2.87Å; R77-D80 IonicContact NH2-OD2 2.64Å; R77-D80 WeakPolarHBondContact O-CB 3.42Å; R77-D80 PolarHBondContact O-N 2.91Å; L78-D80 PolarHBondContact O-N 2.78Å; L78-D80 VanDerWaalsContact O-N 3.14Å
81	T	87.8	Confident	75.2	Confident	59 Å²	59	78.2 Å²	78.2	36%	0.362	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.6	-178.7	-47.3	0	0	0	0	111.8	Q17 R19	Q17-T81 HydrophobicContact CB-CG2 4.21Å; Q17-T81 CarbonylContact O-C 3.22Å; Q17-T81 VanDerWaalsContact O-CA 3.27Å; Q17-T81 WeakPolarHBondContact O-CA 3.49Å; R19-T81 HydrophobicContact CB-CG2 3.81Å
82	I	91.4	Very high	73	Confident	0 Å²	0	86 Å²	86	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.1	169.5	-62	-179.4	0	0	0	109	I16 Q17 V18 R19 L41 L58 Y60 M65 L71 V76	I16-I82 HydrophobicContact CD1-CD1 3.44Å; I16-I82 VanDerWaalsContact CD1-CD1 3.44Å; I16-I82 HydrophobicContact CD1-CG1 4.22Å; Q17-I82 PolarHBondContact O-N 2.71Å; V18-I82 CarbonylContact C-O 3.28Å; V18-I82 WeakPolarHBondContact CA-O 3.26Å; V18-I82 HydrophobicContact CG2-CB 4.39Å; R19-I82 PolarHBondContact N-O 2.65Å; L41-I82 HydrophobicContact CD2-CD1 3.57Å; L58-I82 HydrophobicContact CB-CG2 3.98Å; L58-I82 HydrophobicContact CD2-CG2 4.28Å; Y60-I82 HydrophobicContact CD2-CG1 4.2Å; M65-I82 HydrophobicContact CE-CD1 3.84Å; M65-I82 HydrophobicContact SD-CD1 3.66Å; M65-I82 HydrophobicContact SD-CG1 4.18Å; M65-I82 HydrophobicContact SD-CG2 3.89Å; L71-I82 HydrophobicContact CD2-CD1 4.49Å; V76-I82 HydrophobicContact CG1-CD1 4.35Å; V76-I82 HydrophobicContact CG2-CD1 4.46Å
83	Q	89.9	Confident	70.9	Confident	92 Å²	92	86.1 Å²	86.1	43%	0.43	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.2	177	-66.4	176.2	-22.3	0	0	110.9	R19 M21 L58 F59	R19-Q83 CarbonylContact O-C 3.49Å; R19-Q83 VanDerWaalsContact O-CA 3.29Å; R19-Q83 WeakPolarHBondContact O-CA 3.43Å; M21-Q83 HydrophobicContact CG-CB 4.5Å; M21-Q83 HydrophobicContact SD-CB 3.6Å; M21-Q83 HydrophobicContact SD-CG 4.16Å; M21-Q83 PolarHBondContact SD-OE1 2.94Å; M21-Q83 VanDerWaalsContact SD-OE1 3.41Å; L58-Q83 CarbonylContact C-O 3.52Å; L58-Q83 WeakPolarHBondContact CA-O 3.28Å; F59-Q83 HydrophobicContact CB-CB 4.23Å; F59-Q83 PolarHBondContact N-O 3.14Å; F59-Q83 PolarHBondContact O-N 3.2Å
84	L	91.7	Very high	68.8	Low	1 Å²	1	91.1 Å²	91.1	1%	0.005	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.9	176.1	172.3	64.1	0	0	0	110	V18 R19 T20 M21 I45 F49 Q56 L58 V86	V18-L84 HydrophobicContact CG1-CB 3.81Å; V18-L84 HydrophobicContact CG1-CD2 4.4Å; R19-L84 PolarHBondContact O-N 2.89Å; T20-L84 CarbonylContact C-O 3.52Å; T20-L84 VanDerWaalsContact CA-O 3.31Å; T20-L84 WeakPolarHBondContact CA-O 3.45Å; M21-L84 PolarHBondContact N-O 2.97Å; I45-L84 HydrophobicContact CG2-CD1 4.31Å; I45-L84 HydrophobicContact CG2-CD2 3.79Å; F49-L84 HydrophobicContact CB-CD2 4.03Å; F49-L84 HydrophobicContact CD1-CD2 3.79Å; F49-L84 HydrophobicContact CD2-CD2 4.2Å; F49-L84 HydrophobicContact CE1-CD2 4.28Å; F49-L84 HydrophobicContact CG-CD2 3.74Å; Q56-L84 HydrophobicContact CB-CD1 3.75Å; Q56-L84 HydrophobicContact CG-CD1 3.93Å; L58-L84 HydrophobicContact CD2-CB 4.25Å; L58-L84 HydrophobicContact CD2-CD1 3.64Å; L84-V86 HydrophobicContact CD2-CG2 4.22Å; L84-V86 HydrophobicContact CG-CG2 4.1Å
85	L	89.4	Confident	66.8	Low	62 Å²	62	94.6 Å²	94.6	33%	0.325	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.6	164.8	-178.1	70.8	0	0	0	108.8	M21 R57 F59	M21-L85 HydrophobicContact CB-CD1 4.07Å; M21-L85 HydrophobicContact CG-CB 3.7Å; M21-L85 HydrophobicContact CG-CD1 3.93Å; M21-L85 HydrophobicContact CG-CG 4.42Å; R57-L85 HydrophobicContact CB-CB 3.96Å; R57-L85 HydrophobicContact CB-CD2 4.38Å; R57-L85 PolarHBondContact N-O 3.42Å; R57-L85 PolarHBondContact O-N 2.94Å; F59-L85 HydrophobicContact CD2-CB 4.44Å; F59-L85 HydrophobicContact CE2-CB 3.93Å; F59-L85 HydrophobicContact CE2-CD2 4.17Å
86	V	87.4	Confident	64.4	Low	69 Å²	69	95 Å²	95	42%	0.418	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.7	175.7	-177	0	0	0	0	108.9	V51 L84	V51-V86 HydrophobicContact CG1-CB 4.49Å; V51-V86 HydrophobicContact CG1-CG1 3.76Å; V51-V86 HydrophobicContact CG1-CG2 4.21Å; V51-V86 HydrophobicContact CG2-CG1 4.06Å; V51-V86 HydrophobicContact CG2-CG2 3.74Å; L84-V86 HydrophobicContact CD2-CG2 4.22Å; L84-V86 HydrophobicContact CG-CG2 4.1Å
87	R	81.2	Confident	62.2	Low	121 Å²	121	104.5 Å²	104.5	46%	0.457	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-79.2	133.1	171	-68.8	-179.7	123.8	175.4	-8	109.3	L55 S89	L55-R87 HydrophobicContact CD2-CB 4.33Å; L55-R87 PolarHBondContact O-N 2.91Å; R87-S89 PolarHBondContact O-N 2.84Å
88	Q	68.3	Low	59.9	Low	189 Å²	189	108.2 Å²	108.2	88%	0.883	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.1	169.3	-71.1	178.5	-8.7	0	0	108.8	L90	Q88-L90 PolarHBondContact O-N 2.84Å
89	S	47.9	Very low	57.7	Low	71 Å²	71	114.1 Å²	114.1	50%	0.497	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-73.6	119.6	169.6	-166.2	0	0	0	0	108.2	R87 V91	R87-S89 PolarHBondContact O-N 2.84Å; S89-V91 PolarHBondContact O-N 2.75Å; S89-V91 WeakPolarHBondContact OG-CG2 3.48Å
90	L	44.5	Very low	55.4	Low	176 Å²	176	116.8 Å²	116.8	92%	0.921	60%	0.599	S	S	*	*			trans	-73.9	76.3	168.2	-74.3	166.9	0	0	0	108.5	Q88	Q88-L90 PolarHBondContact O-N 2.84Å
91	V	38.2	Very low	52.8	Low	113 Å²	113	120.3 Å²	120.3	69%	0.685	63%	0.626	S	S	*	*			trans	-99.5	104.1	161.4	-174.9	0	0	0	0	106.4	S89	S89-V91 PolarHBondContact O-N 2.75Å; S89-V91 WeakPolarHBondContact OG-CG2 3.48Å
92	L	33.8	Very low	50.1	Low	162 Å²	162	125.6 Å²	125.6	85%	0.848	65%	0.647	S	S	*	*			trans	-57.8	127.8	170.4	-78.8	153.1	0	0	0	109.6
93	P	30.8	Very low	47.3	Very low	122 Å²	122	132 Å²	132	79%	0.792	68%	0.68	S	S	*	*			trans	-74.3	141.5	164.9	-5.2	21.7	0	0	0	110.2	S95	P93-S95 PolarHBondContact O-N 2.78Å
94	H	27.4	Very low	44.5	Very low	195 Å²	195	131.4 Å²	131.4	90%	0.903	69%	0.686	S	S	*	*			trans	-26.6	116.9	173.7	-90.6	-62.2	0	0	0	116.3
95	S	28.5	Very low	41.5	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	72%	0.718	S	S	*	*			trans	-98	128.4	146.6	58.5	0	0	0	0	109.1	P93	P93-S95 PolarHBondContact O-N 2.78Å
96	T	28.1	Very low	38.7	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	74%	0.74	S	S	*	*			trans	-55.2	143	173.7	36.2	0	0	0	0	112.9
97	K	28.2	Very low	35.8	Very low	201 Å²	201	143.6 Å²	143.6	87%	0.874	75%	0.754	S	S	*	*			trans	-28.6	134.3	168.6	-63.9	170.8	174	175.9	0	115.5
98	E	26.9	Very low	33.3	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	77%	0.769	S	S	*	*				-157.5	108.5	123.7	-75.9	-164.3	156.1	0	0	105.8
99	R	30	Very low	31.2	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	76%	0.758	S	S	*	*				41	124.1	101.8	-80.2	-163.7	-174.5	-167.1	0.3	112.9
100	D	27.3	Very low	30.2	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	77%	0.773	S	S	*	*			cis	-164.8	168.4	32.7	-94.4	-30.3	0	0	0	111.7
101	S	29.6	Very low	29.2	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	76%	0.761	S	S	*	*			trans	80.2	101.9	152.8	-56.5	0	0	0	0	118.9
102	E	31.4	Very low	28.7	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	77%	0.772	S	S	*	*				70.9	127.1	81.4	-80.3	-166.9	159	0	0	111.9
103	L	33.4	Very low	28.2	Very low	133 Å²	133	134.4 Å²	134.4	70%	0.696	77%	0.766	S	S	*	*			cis	-162.1	139.6	16.3	-88.3	150.8	0	0	0	105.5
104	S	29.9	Very low	28	Very low	81 Å²	81	137.7 Å²	137.7	57%	0.566	77%	0.771	S	S	*	*				55.4	130.8	93.6	99.8	0	0	0	0	112.5
105	D	29.6	Very low	27.9	Very low	127 Å²	127	134.2 Å²	134.2	68%	0.679	77%	0.769	S	S	*	*			cis	-173.1	137.5	48.8	-101	-35.7	0	0	0	108.5
106	T	30.8	Very low	27.9	Very low	126 Å²	126	137.9 Å²	137.9	77%	0.773	77%	0.774	S	S	*	*				88.8	149	109.4	63.1	0	0	0	0	113.4
107	D	25.2	Very low	27.9	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	77%	0.774	S	S	*	*			cis	-175	119.8	-9.1	178	49.6	0	0	0	102.4
108	S	29	Very low	27.7	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	77%	0.769	S	S	*	*				62.4	143.2	114	-53.6	0	0	0	0	118.4
109	G	25.3	Very low	27.8	Very low	63 Å²	63	134.4 Å²	134.4	65%	0.649	77%	0.766	S	S	*	*			trans	124.5	80.6	162.4	0	0	0	0	0	112.6
110	C	26.4	Very low	27.5	Very low	119 Å²	119	128.5 Å²	128.5	80%	0.804	76%	0.759	S	S	*	*				30	132.7	85.8	79.6	0	0	0	0	113.6
111	C	24.2	Very low	27.5	Very low	100 Å²	100	127.3 Å²	127.3	68%	0.676	76%	0.761	S	S	*	*			cis	-167.6	157.1	27.4	-14.8	0	0	0	0	110.6
112	L	27.8	Very low	27.2	Very low	177 Å²	177	128.6 Å²	128.6	93%	0.927	77%	0.765	S	S	*	*			trans	71.2	130.5	140.9	-61.5	165.8	0	0	0	122
113	G	23.2	Very low	27	Very low	69 Å²	69	129.2 Å²	129.2	71%	0.711	77%	0.768	S	S	*	*			trans	136.5	87.4	130.9	0	0	0	0	0	118.8
114	Q	25.4	Very low	26.6	Very low	191 Å²	191	126.3 Å²	126.3	89%	0.893	77%	0.77	S	S	*	*			trans	48.8	131.2	134.2	-63.2	-177.7	-8.2	0	0	122.3
115	S	25.4	Very low	26.4	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	79%	0.786	S	S	*	*				132	147.1	117	68.8	0	0	0	0	115.6
116	E	29	Very low	26.1	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.874	79%	0.793	S	S	*	*			trans	-79	157.2	-164.5	-49.7	179.9	135.2	0	0	112.4
117	S	27.2	Very low	25.9	Very low	121 Å²	121	129.3 Å²	129.3	85%	0.846	80%	0.798	S	S	*	*				167.4	143.9	120.5	41.9	0	0	0	0	113.8
118	D	25.1	Very low	25.9	Very low	147 Å²	147	127.6 Å²	127.6	79%	0.786	80%	0.802	S	S	*	*			trans	-56.8	153.5	173.4	-59.5	-62.9	0	0	0	115
119	K	29.2	Very low	25.8	Very low	187 Å²	187	131.5 Å²	131.5	81%	0.813	81%	0.808	S	S	*	*				163.9	127.1	109.6	-90.4	178.9	-176.6	176.2	0	113.9
120	S	23	Very low	25.8	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	82%	0.819	S	S	*	*			trans	47.9	127.7	136.3	69.2	0	0	0	0	121.1
121	S	27	Very low	25.8	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	81%	0.813	S	S	*	*				168.9	114	97.4	47.2	0	0	0	0	113.3
122	T	24.6	Very low	26.1	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	82%	0.819	S	S	*	*				49.9	128.5	129.9	43.1	0	0	0	0	124.9
123	H	25.6	Very low	26.2	Very low	184 Å²	184	136.2 Å²	136.2	85%	0.852	81%	0.806	S	S	*	*			trans	94.9	123.1	132.3	-104	-73.1	0	0	0	121.3
124	G	24.9	Very low	26.7	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	81%	0.806	S	S	*	*			trans	151.4	81.6	153.8	0	0	0	0	0	114.8
125	E	25.8	Very low	27	Very low	192 Å²	192	134.3 Å²	134.3	90%	0.897	81%	0.806	S	S	*	*			trans	-61	139.8	165.7	-68.2	167.7	122.1	0	0	112
126	A	23.9	Very low	27.7	Very low	100 Å²	100	135.5 Å²	135.5	83%	0.826	80%	0.803	S	S	*	*			trans	-171.5	114.9	135.4	0	0	0	0	0	111.7
127	A	26.3	Very low	28.2	Very low	105 Å²	105	131.4 Å²	131.4	87%	0.868	78%	0.784	S	S	*	*			trans	-2.8	130.9	158	0	0	0	0	0	120.7
128	A	25.6	Very low	28.8	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	79%	0.788	S	S	*	*				-164.5	115.6	122.2	0	0	0	0	0	109.5
129	E	26.5	Very low	30.1	Very low	192 Å²	192	132 Å²	132	90%	0.897	78%	0.775	S	S	*	*			trans	-65.1	136.6	170.9	-66.2	178.4	144.4	0	0	110.7
130	T	25.7	Very low	31.5	Very low	144 Å²	144	127.1 Å²	127.1	88%	0.883	75%	0.752	S	S	*	*			trans	-123.3	96.9	155.6	24.1	0	0	0	0	108.4
131	D	26.5	Very low	33.7	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	75%	0.747	S	S	*	*			trans	-70.1	116.4	175.6	-165.5	20.2	0	0	0	109.9	R133	D131-R133 IonicContact OD2-NE 2.81Å
132	S	30.8	Very low	35.7	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	75%	0.745	S	S	*	*			trans	-89.1	97.6	171.9	46.9	0	0	0	0	109.4
133	R	29.2	Very low	37.7	Very low	174 Å²	174	125 Å²	125	66%	0.657	72%	0.716	S	S	*	*			trans	-79.2	142.6	173.9	-69.7	-175.9	179	-171.8	6.8	112.2	D131 E137	D131-R133 IonicContact OD2-NE 2.81Å; R133-E137 VanDerWaalsContact CD-OE2 3.31Å; R133-E137 WeakPolarHBondContact CD-OE2 3.38Å; R133-E137 IonicContact CZ-OE2 2.82Å; R133-E137 IonicContact NE-OE2 2.71Å; R133-E137 IonicContact NH1-OE2 3.77Å; R133-E137 PolarHBondContact NH1-OE2 2.86Å
134	P	33.4	Very low	39.5	Very low	112 Å²	112	124.4 Å²	124.4	73%	0.727	71%	0.713	S	S	*	*			trans	-75	148.2	169.1	17.6	-7.9	0	0	0	111.7	D136	P134-D136 VanDerWaalsContact C-N 3.29Å; P134-D136 PolarHBondContact O-N 2.8Å
135	A	33.4	Very low	41.5	Very low	108 Å²	108	127 Å²	127	89%	0.893	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	44.5	-164.2	0	0	0	0	0	116.5
136	D	38.4	Very low	43.7	Very low	148 Å²	148	118 Å²	118	79%	0.791	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	11.7	-179.6	-104.7	-24.8	0	0	0	114.9	P134	P134-D136 VanDerWaalsContact C-N 3.29Å; P134-D136 PolarHBondContact O-N 2.8Å
137	E	39.8	Very low	46.4	Very low	101 Å²	101	117.2 Å²	117.2	47%	0.472	65%	0.649	S	S	.	*			trans	-83.6	-10.3	-179.8	-77.9	-157	138.3	0	0	115.4	R133 M139	R133-E137 VanDerWaalsContact CD-OE2 3.31Å; R133-E137 WeakPolarHBondContact CD-OE2 3.38Å; R133-E137 IonicContact CZ-OE2 2.82Å; R133-E137 IonicContact NE-OE2 2.71Å; R133-E137 IonicContact NH1-OE2 3.77Å; R133-E137 PolarHBondContact NH1-OE2 2.86Å; E137-M139 VanDerWaalsContact C-N 3.34Å; E137-M139 PolarHBondContact O-N 2.78Å; E137-M139 VanDerWaalsContact O-N 3.17Å
138	D	39.3	Very low	49.3	Very low	172 Å²	172	112.8 Å²	112.8	92%	0.92	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	25.9	-168.5	-74.8	-26.5	0	0	0	115.7
139	M	52.3	Low	52.3	Low	108 Å²	108	113.1 Å²	113.1	53%	0.532	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.8	15.4	-174.3	-141.9	178.8	67.4	0	0	117	E137	E137-M139 VanDerWaalsContact C-N 3.34Å; E137-M139 PolarHBondContact O-N 2.78Å; E137-M139 VanDerWaalsContact O-N 3.17Å
140	W	59.5	Low	55.3	Low	86 Å²	86	107.4 Å²	107.4	33%	0.326	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.4	121	-177.9	-58.7	88.6	0	0	0	111.4	R174 K175 I196	W140-R174 WeakPolarHBondContact CA-O 3.39Å; W140-K175 HydrophobicContact CE3-CB 3.85Å; W140-K175 HydrophobicContact CE3-CG 4.1Å; W140-K175 VanDerWaalsContact CE3-N 3.27Å; W140-K175 HydrophobicContact CH2-CB 3.68Å; W140-K175 HydrophobicContact CH2-CD 3.46Å; W140-K175 VanDerWaalsContact CH2-CD 3.46Å; W140-K175 HydrophobicContact CH2-CG 3.38Å; W140-K175 HydrophobicContact CZ2-CD 4.04Å; W140-K175 HydrophobicContact CZ2-CG 3.87Å; W140-K175 HydrophobicContact CZ3-CB 3.26Å; W140-K175 HydrophobicContact CZ3-CD 4.02Å; W140-K175 HydrophobicContact CZ3-CG 3.52Å; W140-K175 VanDerWaalsContact CZ3-N 3.33Å; W140-I196 HydrophobicContact CE3-CD1 4.17Å; W140-I196 HydrophobicContact CH2-CD1 3.48Å; W140-I196 VanDerWaalsContact CH2-CD1 3.48Å; W140-I196 HydrophobicContact CZ2-CD1 4.25Å; W140-I196 HydrophobicContact CZ3-CD1 3.42Å; W140-I196 VanDerWaalsContact CZ3-CD1 3.42Å; W140-I196 HydrophobicContact CZ3-CG1 4.08Å
141	D	68.8	Low	58.2	Low	113 Å²	113	105.1 Å²	105.1	60%	0.604	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.5	136.7	177.5	-68.2	-41.2	0	0	0	110.3	T143 T173 R174	D141-T143 PolarHBondContact O-N 2.89Å; D141-T173 WeakPolarHBondContact O-CA 3.25Å; D141-R174 PolarHBondContact N-O 3.46Å; D141-R174 PolarHBondContact O-N 3.17Å
142	E	68.4	Low	61.3	Low	148 Å²	148	99.6 Å²	99.6	69%	0.692	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.3	168	-70.5	-169.8	161.9	0	0	109.7	R171	E142-R171 HydrophobicContact CG-CG 4.4Å; E142-R171 WeakPolarHBondContact OE1-CD 3.35Å
143	T	68.6	Low	64.2	Low	26 Å²	26	95.6 Å²	95.6	16%	0.16	49%	0.492	C	S	.	.			trans	-135	138.6	-176.2	-163.9	0	0	0	0	112	D141 L145 V172 R174	D141-T143 PolarHBondContact O-N 2.89Å; T143-L145 VanDerWaalsContact C-N 3.28Å; T143-L145 HydrophobicContact CG2-CB 4.46Å; T143-L145 WeakPolarHBondContact OG1-CB 3.33Å; T143-L145 WeakPolarHBondContact OG1-CG 3.5Å; T143-L145 PolarHBondContact OG1-N 3.19Å; T143-V172 HydrophobicContact CG2-CG1 3.95Å; T143-V172 PolarHBondContact N-O 3.43Å; T143-V172 WeakPolarHBondContact O-CB 3.38Å; T143-R174 HydrophobicContact CG2-CB 3.89Å
144	E	62.9	Low	67.2	Low	172 Å²	172	87.3 Å²	87.3	80%	0.804	46%	0.461	S	S	*	.	S	Bend	trans	-87.5	0.9	169.9	-62.5	-172.9	169.2	0	0	112.4	G146 K149	E144-G146 VanDerWaalsContact C-N 3.25Å; E144-G146 PolarHBondContact O-N 2.96Å; E144-K149 PolarHBondContact O-NZ 2.84Å
145	L	67.1	Low	70.2	Confident	129 Å²	129	82 Å²	82	68%	0.675	43%	0.426	S	S	*	.			trans	-77.6	-4	-173.8	-64.5	171.8	0	0	0	114.1	T143	T143-L145 VanDerWaalsContact C-N 3.28Å; T143-L145 HydrophobicContact CG2-CB 4.46Å; T143-L145 WeakPolarHBondContact OG1-CB 3.33Å; T143-L145 WeakPolarHBondContact OG1-CG 3.5Å; T143-L145 PolarHBondContact OG1-N 3.19Å
146	G	70.3	Confident	73	Confident	2 Å²	2	76.9 Å²	76.9	2%	0.021	38%	0.384	C	S	.	.	S	Bend	trans	-64	146	173.4	0	0	0	0	0	112.7	E144 Y148 K149 Y197	E144-G146 VanDerWaalsContact C-N 3.25Å; E144-G146 PolarHBondContact O-N 2.96Å; G146-Y148 VanDerWaalsContact C-N 3.29Å; G146-K149 PolarHBondContact O-NZ 2.98Å; G146-Y197 WeakPolarHBondContact CA-OH 3.48Å
147	L	82.2	Confident	75.6	Confident	83 Å²	83	72.9 Å²	72.9	44%	0.435	36%	0.357	S	S	.	.	S	Bend	trans	-60.2	-40	172.2	-73	165.7	0	0	0	111.4	Y197 P296	L147-Y197 PolarHBondContact N-OH 3.2Å; L147-P296 HydrophobicContact CD1-CB 4.18Å
148	Y	87.6	Confident	78	Confident	12 Å²	12	70.3 Å²	70.3	5%	0.047	35%	0.347	C	S	.	.	S	Bend	trans	-100.4	134	177.7	-49.9	-66	0	0	0	110.4	G146 E152 V154 Y197 V217 R218 A219	G146-Y148 VanDerWaalsContact C-N 3.29Å; Y148-E152 VanDerWaalsContact CA-OE2 3.29Å; Y148-E152 WeakPolarHBondContact CA-OE2 3.35Å; Y148-V154 HydrophobicContact CD1-CG1 4.15Å; Y148-V154 HydrophobicContact CG-CG1 4.01Å; Y148-Y197 HydrophobicContact CD2-CE1 4.15Å; Y148-Y197 HydrophobicContact CD2-CE2 4.08Å; Y148-Y197 AromaticContact CD2-CZ 3.76Å; Y148-Y197 PolarHBondContact N-OH 2.85Å; Y148-Y197 WeakPolarHBondContact O-CE1 3.34Å; Y148-V217 HydrophobicContact CD2-CB 4.32Å; Y148-V217 HydrophobicContact CD2-CG1 3.69Å; Y148-V217 HydrophobicContact CE2-CB 4.36Å; Y148-V217 HydrophobicContact CE2-CG1 4.05Å; Y148-V217 WeakPolarHBondContact CE2-O 3.32Å; Y148-V217 HydrophobicContact CG-CG1 4.37Å; Y148-R218 WeakPolarHBondContact OH-CA 3.49Å; Y148-A219 HydrophobicContact CE1-CB 4.05Å
149	K	87.9	Confident	80.1	Confident	105 Å²	105	66.3 Å²	66.3	46%	0.457	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-91.3	158.9	-175.6	-57.9	-51.7	-176.5	-163	0	111.7	E144 G146 N151 E152 V169	E144-K149 PolarHBondContact O-NZ 2.84Å; G146-K149 PolarHBondContact O-NZ 2.98Å; K149-N151 PolarHBondContact O-N 2.88Å; K149-E152 PolarHBondContact N-OE2 3.43Å; K149-E152 WeakPolarHBondContact O-CB 3.21Å; K149-E152 PolarHBondContact O-N 2.81Å; K149-V169 WeakPolarHBondContact O-CB 3.49Å
150	V	88.8	Confident	81.5	Confident	73 Å²	73	68.2 Å²	68.2	44%	0.442	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	138.7	172.1	177.8	0	0	0	0	109.6	E152 V170 V172	V150-E152 PolarHBondContact O-N 2.88Å; V150-V170 VanDerWaalsContact CG1-O 3.26Å; V150-V170 WeakPolarHBondContact CG1-O 3.34Å; V150-V172 HydrophobicContact CG2-CG2 4.27Å
151	N	87.8	Confident	82.6	Confident	96 Å²	96	66.7 Å²	66.7	51%	0.513	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	1.8	-172.1	-55.2	-47.9	0	0	0	116.3	K149 Q168 V169	K149-N151 PolarHBondContact O-N 2.88Å; N151-Q168 PolarHBondContact O-NE2 2.89Å; N151-V169 WeakPolarHBondContact CA-O 3.37Å; N151-V169 PolarHBondContact N-O 3.19Å
152	E	90.6	Very high	83.5	Confident	9 Å²	9	61.5 Å²	61.5	4%	0.042	31%	0.311	C	S	.	.			trans	-71.4	138.1	173.6	-169.5	172.3	175.3	0	0	111.5	Y148 K149 V150 V154 Q168 V169 P301	Y148-E152 VanDerWaalsContact CA-OE2 3.29Å; Y148-E152 WeakPolarHBondContact CA-OE2 3.35Å; K149-E152 PolarHBondContact N-OE2 3.43Å; K149-E152 WeakPolarHBondContact O-CB 3.21Å; K149-E152 PolarHBondContact O-N 2.81Å; V150-E152 PolarHBondContact O-N 2.88Å; E152-V154 HydrophobicContact CG-CG1 4.34Å; E152-Q168 WeakPolarHBondContact O-CA 3.47Å; E152-V169 PolarHBondContact O-N 3.35Å; E152-P301 HydrophobicContact CG-CB 4.37Å; E152-P301 WeakPolarHBondContact OE1-CA 3.39Å
153	Y	91.7	Very high	84.7	Confident	31 Å²	31	54.4 Å²	54.4	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.8	173.3	-71.2	-84.3	0	0	0	110.6	Q168 R220 M302 N305 P306	Y153-Q168 HydrophobicContact CD1-CB 4.41Å; Y153-R220 VanDerWaalsContact O-CB 3.26Å; Y153-R220 WeakPolarHBondContact O-CB 3.37Å; Y153-R220 PolarHBondContact O-N 3.28Å; Y153-R220 VanDerWaalsContact O-N 3.16Å; Y153-M302 WeakPolarHBondContact CD2-O 3.33Å; Y153-M302 PolarHBondContact N-O 3.45Å; Y153-N305 HydrophobicContact CE2-CB 4.29Å; Y153-N305 WeakPolarHBondContact OH-CB 3.29Å; Y153-N305 PolarHBondContact OH-OD1 3.49Å; Y153-P306 HydrophobicContact CD1-CG 4.21Å; Y153-P306 HydrophobicContact CG-CG 4.13Å
154	V	93.3	Very high	85.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.1	-171.2	-66.8	0	0	0	0	111.2	Y148 E152 A167 V169 V199 V217 R218 R220	Y148-V154 HydrophobicContact CD1-CG1 4.15Å; Y148-V154 HydrophobicContact CG-CG1 4.01Å; E152-V154 HydrophobicContact CG-CG1 4.34Å; V154-A167 HydrophobicContact CG2-CB 4.34Å; V154-A167 PolarHBondContact N-O 3.41Å; V154-A167 CarbonylContact O-C 3.6Å; V154-A167 WeakPolarHBondContact O-CA 3.3Å; V154-A167 PolarHBondContact O-N 3.4Å; V154-V169 HydrophobicContact CB-CG2 4.36Å; V154-V169 HydrophobicContact CG1-CG2 3.72Å; V154-V169 HydrophobicContact CG2-CG2 3.67Å; V154-V199 HydrophobicContact CG2-CG1 4.23Å; V154-V217 HydrophobicContact CB-CG1 3.76Å; V154-V217 HydrophobicContact CG1-CG1 3.99Å; V154-V217 HydrophobicContact CG2-CG1 3.85Å; V154-R218 CarbonylContact C-O 3.59Å; V154-R218 WeakPolarHBondContact CA-O 3.49Å; V154-R218 VanDerWaalsContact CB-O 3.23Å; V154-R218 WeakPolarHBondContact CB-O 3.34Å; V154-R220 PolarHBondContact O-NH1 3.45Å
155	D	94.4	Very high	87.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.3	165.7	-71.5	-41.9	0	0	0	108.9	W164 F165 R218 R220 A221 R309	D155-W164 HydrophobicContact CB-CB 4.41Å; D155-W164 HydrophobicContact CB-CE3 3.88Å; D155-W164 WeakPolarHBondContact O-CZ3 3.35Å; D155-F165 WeakPolarHBondContact CA-O 3.47Å; D155-R218 HydrophobicContact CB-CG 4Å; D155-R218 PolarHBondContact N-O 2.99Å; D155-R218 PolarHBondContact O-N 3.4Å; D155-R220 IonicContact OD1-CZ 2.63Å; D155-R220 IonicContact OD1-NE 3.58Å; D155-R220 IonicContact OD1-NH1 3.51Å; D155-R220 PolarHBondContact OD1-NH1 2.73Å; D155-R220 WeakPolarHBondContact OD2-CA 3.37Å; D155-A221 WeakPolarHBondContact OD2-CB 3.2Å; D155-A221 PolarHBondContact OD2-N 3.12Å; D155-R309 VanDerWaalsContact CG-NH1 3.3Å; D155-R309 IonicContact OD1-CZ 3.07Å; D155-R309 VanDerWaalsContact OD1-CZ 3.22Å; D155-R309 IonicContact OD1-NH1 3.99Å; D155-R309 PolarHBondContact OD1-NH1 2.93Å; D155-R309 IonicContact OD1-NH2 2.74Å; D155-R309 PolarHBondContact OD1-NH2 3.36Å; D155-R309 IonicContact OD2-CZ 3.96Å; D155-R309 IonicContact OD2-NH1 3.88Å; D155-R309 PolarHBondContact OD2-NH1 3.42Å
156	A	93.8	Very high	88.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131	178	0	0	0	0	0	109.7	W164 F165 A167 V199 Y201 M212 D216	A156-W164 WeakPolarHBondContact O-CA 3.29Å; A156-F165 PolarHBondContact N-O 3.38Å; A156-F165 PolarHBondContact O-N 3.08Å; A156-A167 HydrophobicContact CB-CB 3.92Å; A156-V199 HydrophobicContact CB-CG2 4.14Å; A156-Y201 HydrophobicContact CB-CE1 3.84Å; A156-M212 HydrophobicContact CB-CE 4.32Å; A156-D216 CarbonylContact C-O 3.55Å; A156-D216 WeakPolarHBondContact CA-O 3.03Å
157	R	92.8	Very high	89.7	Confident	65 Å²	65	40.5 Å²	40.5	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.4	-178.6	-174.4	170.1	63.7	174	3	110.6	T159 A163 W164 M212 D216	R157-T159 PolarHBondContact O-N 3.38Å; R157-A163 CarbonylContact C-O 3.39Å; R157-A163 WeakPolarHBondContact CA-O 3.4Å; R157-W164 HydrophobicContact CB-CD2 3.8Å; R157-W164 HydrophobicContact CB-CE3 3.72Å; R157-W164 HydrophobicContact CB-CH2 3.88Å; R157-W164 HydrophobicContact CB-CZ2 3.97Å; R157-W164 HydrophobicContact CB-CZ3 3.75Å; R157-W164 HydrophobicContact CG-CD2 4.33Å; R157-W164 HydrophobicContact CG-CZ2 4.37Å; R157-M212 WeakPolarHBondContact O-CE 3.31Å; R157-D216 HydrophobicContact CB-CB 4.13Å; R157-D216 IonicContact CZ-OD1 2.75Å; R157-D216 PolarHBondContact N-O 3.41Å; R157-D216 IonicContact NE-OD1 3.26Å; R157-D216 PolarHBondContact NE-OD1 2.81Å; R157-D216 IonicContact NH2-OD1 2.83Å; R157-D216 PolarHBondContact NH2-OD1 2.8Å
158	D	89.6	Confident	90.3	Very high	46 Å²	46	37.7 Å²	37.7	25%	0.246	19%	0.191	C	C	.	.			trans	-71.6	121.8	167	-178.6	-72.9	0	0	0	109.1	N160 M161 G162 A163 F165	D158-N160 VanDerWaalsContact C-N 3.29Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 WeakPolarHBondContact OD1-CA 3.26Å; D158-N160 VanDerWaalsContact OD1-CB 3.28Å; D158-N160 WeakPolarHBondContact OD1-CB 3.4Å; D158-N160 PolarHBondContact OD1-N 2.8Å; D158-M161 HydrophobicContact CB-CG 3.8Å; D158-M161 HydrophobicContact CB-SD 4.33Å; D158-M161 WeakPolarHBondContact OD1-CG 3.17Å; D158-M161 PolarHBondContact OD1-N 3.41Å; D158-G162 WeakPolarHBondContact O-CA 3.37Å; D158-G162 PolarHBondContact O-N 2.81Å; D158-A163 PolarHBondContact N-O 3.05Å; D158-F165 HydrophobicContact CB-CD2 4.13Å; D158-F165 HydrophobicContact CB-CE2 3.84Å
159	T	83.6	Confident	90.5	Very high	89 Å²	89	37.1 Å²	37.1	55%	0.546	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.2	-175.2	52.4	0	0	0	0	113.6	R157	R157-T159 PolarHBondContact O-N 3.38Å
160	N	80.9	Confident	90.7	Very high	148 Å²	148	34.7 Å²	34.7	79%	0.791	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-45.3	-178.6	-61.3	-20.7	0	0	0	110.9	D158	D158-N160 VanDerWaalsContact C-N 3.29Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 WeakPolarHBondContact OD1-CA 3.26Å; D158-N160 VanDerWaalsContact OD1-CB 3.28Å; D158-N160 WeakPolarHBondContact OD1-CB 3.4Å; D158-N160 PolarHBondContact OD1-N 2.8Å
161	M	83.1	Confident	90.7	Very high	53 Å²	53	34.9 Å²	34.9	26%	0.261	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18	-179.3	65.1	-168.4	-71.9	0	0	113.7	D158 A163 F165 F250 Y252	D158-M161 HydrophobicContact CB-CG 3.8Å; D158-M161 HydrophobicContact CB-SD 4.33Å; D158-M161 WeakPolarHBondContact OD1-CG 3.17Å; D158-M161 PolarHBondContact OD1-N 3.41Å; M161-A163 HydrophobicContact CE-CB 3.58Å; M161-A163 HydrophobicContact CG-CB 3.78Å; M161-A163 PolarHBondContact O-N 2.92Å; M161-A163 HydrophobicContact SD-CB 4.11Å; M161-F165 HydrophobicContact CE-CE2 4.18Å; M161-F165 HydrophobicContact CE-CZ 3.76Å; M161-F165 HydrophobicContact CG-CE2 4.33Å; M161-F165 HydrophobicContact SD-CE2 3.58Å; M161-F165 VanDerWaalsContact SD-CE2 3.58Å; M161-F165 HydrophobicContact SD-CZ 3.53Å; M161-F165 VanDerWaalsContact SD-CZ 3.53Å; M161-F250 HydrophobicContact CE-CB 4.01Å; M161-F250 HydrophobicContact CE-CD1 3.99Å; M161-F250 HydrophobicContact CE-CD2 3.33Å; M161-F250 HydrophobicContact CE-CE1 4.3Å; M161-F250 HydrophobicContact CE-CE2 3.68Å; M161-F250 HydrophobicContact CE-CG 3.49Å; M161-F250 VanDerWaalsContact CE-CG 3.49Å; M161-F250 HydrophobicContact CE-CZ 4.16Å; M161-Y252 WeakPolarHBondContact O-CE1 3.4Å
162	G	87.4	Confident	90.7	Very high	4 Å²	4	30.7 Å²	30.7	4%	0.041	15%	0.154	C	C	.	.			trans	76.1	7.5	-176.7	0	0	0	0	0	114.8	D158	D158-G162 WeakPolarHBondContact O-CA 3.37Å; D158-G162 PolarHBondContact O-N 2.81Å
163	A	93.4	Very high	90.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.			trans	-86.7	151	-179.6	0	0	0	0	0	111.8	R157 D158 M161 F165 F250 W251 Y252	R157-A163 CarbonylContact C-O 3.39Å; R157-A163 WeakPolarHBondContact CA-O 3.4Å; D158-A163 PolarHBondContact N-O 3.05Å; M161-A163 HydrophobicContact CE-CB 3.58Å; M161-A163 HydrophobicContact CG-CB 3.78Å; M161-A163 PolarHBondContact O-N 2.92Å; M161-A163 HydrophobicContact SD-CB 4.11Å; A163-F165 HydrophobicContact CB-CE2 3.83Å; A163-F165 HydrophobicContact CB-CZ 4.26Å; A163-F250 HydrophobicContact CB-CB 3.84Å; A163-W251 CarbonylContact C-O 3.48Å; A163-W251 VanDerWaalsContact CA-O 3.27Å; A163-W251 WeakPolarHBondContact CA-O 3.39Å; A163-Y252 HydrophobicContact CB-CD1 4.09Å; A163-Y252 HydrophobicContact CB-CE1 3.61Å
164	W	94.6	Very high	90.1	Very high	11 Å²	11	32.5 Å²	32.5	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.8	176.6	-66.6	90.6	0	0	0	110.9	D155 A156 R157 R218 M237 W251 D253	D155-W164 HydrophobicContact CB-CB 4.41Å; D155-W164 HydrophobicContact CB-CE3 3.88Å; D155-W164 WeakPolarHBondContact O-CZ3 3.35Å; A156-W164 WeakPolarHBondContact O-CA 3.29Å; R157-W164 HydrophobicContact CB-CD2 3.8Å; R157-W164 HydrophobicContact CB-CE3 3.72Å; R157-W164 HydrophobicContact CB-CH2 3.88Å; R157-W164 HydrophobicContact CB-CZ2 3.97Å; R157-W164 HydrophobicContact CB-CZ3 3.75Å; R157-W164 HydrophobicContact CG-CD2 4.33Å; R157-W164 HydrophobicContact CG-CZ2 4.37Å; W164-R218 VanDerWaalsContact CD1-NH2 3.33Å; W164-R218 HydrophobicContact CE3-CG 3.95Å; W164-R218 HydrophobicContact CH2-CB 4.43Å; W164-R218 HydrophobicContact CH2-CG 3.97Å; W164-R218 HydrophobicContact CZ3-CB 4.22Å; W164-R218 HydrophobicContact CZ3-CG 3.54Å; W164-M237 HydrophobicContact CB-SD 3.93Å; W164-M237 HydrophobicContact CG-SD 4.3Å; W164-W251 PolarHBondContact N-O 3.08Å; W164-D253 PolarHBondContact NE1-OD1 3.29Å; W164-D253 PolarHBondContact NE1-OD2 3.21Å
165	F	93.9	Very high	88.9	Confident	19 Å²	19	37.7 Å²	37.7	8%	0.083	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.8	-177.5	-70.1	-87.9	0	0	0	112.3	D155 A156 D158 M161 A163 A167 Y201 Y204 F250	D155-F165 WeakPolarHBondContact CA-O 3.47Å; A156-F165 PolarHBondContact N-O 3.38Å; A156-F165 PolarHBondContact O-N 3.08Å; D158-F165 HydrophobicContact CB-CD2 4.13Å; D158-F165 HydrophobicContact CB-CE2 3.84Å; M161-F165 HydrophobicContact CE-CE2 4.18Å; M161-F165 HydrophobicContact CE-CZ 3.76Å; M161-F165 HydrophobicContact CG-CE2 4.33Å; M161-F165 HydrophobicContact SD-CE2 3.58Å; M161-F165 VanDerWaalsContact SD-CE2 3.58Å; M161-F165 HydrophobicContact SD-CZ 3.53Å; M161-F165 VanDerWaalsContact SD-CZ 3.53Å; A163-F165 HydrophobicContact CB-CE2 3.83Å; A163-F165 HydrophobicContact CB-CZ 4.26Å; F165-A167 PolarHBondContact O-N 3.26Å; F165-Y201 HydrophobicContact CB-CD1 3.69Å; F165-Y201 HydrophobicContact CB-CE1 3.63Å; F165-Y201 HydrophobicContact CG-CE1 4.4Å; F165-Y204 AromaticContact CD1-CE2 3.84Å; F165-Y204 HydrophobicContact CD1-CE2 3.84Å; F165-Y204 HydrophobicContact CE1-CE2 4.06Å; F165-F250 AromaticContact CE1-CD1 3.84Å; F165-F250 HydrophobicContact CE1-CD1 3.84Å; F165-F250 HydrophobicContact CE1-CE1 4.08Å; F165-F250 AromaticContact CZ-CD1 3.93Å; F165-F250 HydrophobicContact CZ-CD1 3.93Å; F165-F250 HydrophobicContact CZ-CE1 4.24Å
166	E	93.6	Very high	87.2	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	116.4	174.2	-71.9	93.4	145	0	0	112.5	Y201 D202 R220 R309	E166-Y201 CarbonylContact O-C 3.54Å; E166-Y201 WeakPolarHBondContact O-CA 3.46Å; E166-D202 HydrophobicContact CB-CB 3.97Å; E166-D202 PolarHBondContact O-N 2.9Å; E166-R220 VanDerWaalsContact CA-CZ 3.41Å; E166-R220 VanDerWaalsContact CB-CZ 3.48Å; E166-R220 VanDerWaalsContact CG-CZ 3.49Å; E166-R309 VanDerWaalsContact CD-CZ 3.45Å; E166-R309 WeakPolarHBondContact OE1-CB 3.38Å; E166-R309 WeakPolarHBondContact OE1-CG 3.44Å; E166-R309 IonicContact OE1-CZ 2.85Å; E166-R309 PolarHBondContact OE1-N 3.11Å; E166-R309 IonicContact OE1-NE 3.92Å; E166-R309 PolarHBondContact OE1-NE 3.36Å; E166-R309 IonicContact OE1-NH2 2.73Å; E166-R309 IonicContact OE2-CZ 3.2Å; E166-R309 IonicContact OE2-NE 3.59Å; E166-R309 IonicContact OE2-NH2 3.4Å; E166-R309 PolarHBondContact OE2-NH2 2.56Å
167	A	93.4	Very high	85.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	171.3	175.9	0	0	0	0	0	113.7	V154 A156 F165 V199 K200 Y201 R220	V154-A167 HydrophobicContact CG2-CB 4.34Å; V154-A167 PolarHBondContact N-O 3.41Å; V154-A167 CarbonylContact O-C 3.6Å; V154-A167 WeakPolarHBondContact O-CA 3.3Å; V154-A167 PolarHBondContact O-N 3.4Å; A156-A167 HydrophobicContact CB-CB 3.92Å; F165-A167 PolarHBondContact O-N 3.26Å; A167-V199 HydrophobicContact CB-CB 4.13Å; A167-V199 HydrophobicContact CB-CG2 4.16Å; A167-K200 CarbonylContact C-O 3.59Å; A167-K200 WeakPolarHBondContact CA-O 3.4Å; A167-K200 VanDerWaalsContact CB-O 3.32Å; A167-K200 WeakPolarHBondContact CB-O 3.47Å; A167-Y201 HydrophobicContact CB-CD1 3.94Å; A167-Y201 HydrophobicContact CB-CE1 4.3Å; A167-R220 PolarHBondContact O-NH2 3.19Å
168	Q	93.3	Very high	82.8	Confident	23 Å²	23	47 Å²	47	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.7	172.7	-175.4	176.7	43.8	0	0	110.1	N151 E152 Y153 V170 V199 K200	N151-Q168 PolarHBondContact O-NE2 2.89Å; E152-Q168 WeakPolarHBondContact O-CA 3.47Å; Y153-Q168 HydrophobicContact CD1-CB 4.41Å; Q168-V170 PolarHBondContact O-N 2.9Å; Q168-V199 CarbonylContact O-C 3.54Å; Q168-V199 VanDerWaalsContact O-CA 3.28Å; Q168-V199 WeakPolarHBondContact O-CA 3.47Å; Q168-K200 HydrophobicContact CB-CG 4.25Å; Q168-K200 PolarHBondContact N-O 3.42Å; Q168-K200 PolarHBondContact O-N 2.66Å
169	V	92.2	Very high	80.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.8	176.1	-176.6	0	0	0	0	109.9	K149 N151 E152 V154 V172 Y197 V199	K149-V169 WeakPolarHBondContact O-CB 3.49Å; N151-V169 WeakPolarHBondContact CA-O 3.37Å; N151-V169 PolarHBondContact N-O 3.19Å; E152-V169 PolarHBondContact O-N 3.35Å; V154-V169 HydrophobicContact CB-CG2 4.36Å; V154-V169 HydrophobicContact CG1-CG2 3.72Å; V154-V169 HydrophobicContact CG2-CG2 3.67Å; V169-V172 HydrophobicContact CG1-CG2 3.78Å; V169-Y197 HydrophobicContact CG1-CD1 4.21Å; V169-V199 HydrophobicContact CG2-CG1 4.42Å
170	V	91.7	Very high	78.8	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.327	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-42.4	177.8	-178.8	0	0	0	0	111.1	V150 Q168 H198 K200 V209	V150-V170 VanDerWaalsContact CG1-O 3.26Å; V150-V170 WeakPolarHBondContact CG1-O 3.34Å; Q168-V170 PolarHBondContact O-N 2.9Å; V170-H198 WeakPolarHBondContact CA-O 3.33Å; V170-H198 WeakPolarHBondContact CB-O 3.38Å; V170-H198 PolarHBondContact N-O 2.81Å; V170-K200 HydrophobicContact CG2-CB 3.88Å; V170-K200 HydrophobicContact CG2-CD 3.77Å; V170-K200 HydrophobicContact CG2-CG 3.66Å; V170-V209 HydrophobicContact CB-CG1 4.29Å; V170-V209 HydrophobicContact CG1-CG2 4.33Å; V170-V209 HydrophobicContact CG2-CG1 4.49Å; V170-V209 HydrophobicContact CG2-CG2 4.32Å
171	R	89.1	Confident	76.6	Confident	78 Å²	78	60.6 Å²	60.6	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.5	-178.3	-175.9	177.1	65.4	146.6	-6.1	110.8	E142 T173 H198	E142-R171 HydrophobicContact CG-CG 4.4Å; E142-R171 WeakPolarHBondContact OE1-CD 3.35Å; R171-T173 HydrophobicContact CG-CG2 4.12Å; R171-H198 HydrophobicContact CB-CB 3.92Å; R171-H198 PolarHBondContact N-O 3.26Å; R171-H198 PolarHBondContact NH2-CE1 2.92Å; R171-H198 PolarHBondContact NH2-ND1 3.37Å; R171-H198 WeakPolarHBondContact O-CB 3.33Å; R171-H198 PolarHBondContact O-N 3.05Å
172	V	89.4	Confident	74.5	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	176.1	-171.9	0	0	0	0	109	T143 V150 V169 V195 Y197	T143-V172 HydrophobicContact CG2-CG1 3.95Å; T143-V172 PolarHBondContact N-O 3.43Å; T143-V172 WeakPolarHBondContact O-CB 3.38Å; V150-V172 HydrophobicContact CG2-CG2 4.27Å; V169-V172 HydrophobicContact CG1-CG2 3.78Å; V172-V195 HydrophobicContact CG1-CG1 3.39Å; V172-Y197 HydrophobicContact CG1-CD1 4.13Å; V172-Y197 HydrophobicContact CG1-CE1 3.93Å; V172-Y197 HydrophobicContact CG2-CD1 3.77Å; V172-Y197 HydrophobicContact CG2-CE1 3.91Å
173	T	86.9	Confident	72.1	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.6	-176.5	55	0	0	0	0	111.2	D141 R171 I196 H198	D141-T173 WeakPolarHBondContact O-CA 3.25Å; R171-T173 HydrophobicContact CG-CG2 4.12Å; T173-I196 PolarHBondContact N-O 3.21Å; T173-I196 PolarHBondContact O-N 3.35Å; T173-H198 PolarHBondContact OG1-NE2 2.89Å
174	R	82.5	Confident	69.2	Low	77 Å²	77	74.9 Å²	74.9	29%	0.291	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.9	175.7	-172.4	179.4	179.7	-174.6	0.8	111.5	W140 D141 T143 A176 D194	W140-R174 WeakPolarHBondContact CA-O 3.39Å; D141-R174 PolarHBondContact N-O 3.46Å; D141-R174 PolarHBondContact O-N 3.17Å; T143-R174 HydrophobicContact CG2-CB 3.89Å; R174-A176 PolarHBondContact O-N 3Å; R174-D194 WeakPolarHBondContact CA-O 3.46Å; R174-D194 HydrophobicContact CG-CB 4.09Å; R174-D194 WeakPolarHBondContact CG-O 3.48Å; R174-D194 IonicContact NH2-OD2 3.47Å; R174-D194 PolarHBondContact NH2-OD2 2.92Å
175	K	67.9	Low	66.4	Low	109 Å²	109	79.4 Å²	79.4	47%	0.474	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.9	173.9	-149.8	168	-170.3	175.5	0	110.4	W140 D194	W140-K175 HydrophobicContact CE3-CB 3.85Å; W140-K175 HydrophobicContact CE3-CG 4.1Å; W140-K175 VanDerWaalsContact CE3-N 3.27Å; W140-K175 HydrophobicContact CH2-CB 3.68Å; W140-K175 HydrophobicContact CH2-CD 3.46Å; W140-K175 VanDerWaalsContact CH2-CD 3.46Å; W140-K175 HydrophobicContact CH2-CG 3.38Å; W140-K175 HydrophobicContact CZ2-CD 4.04Å; W140-K175 HydrophobicContact CZ2-CG 3.87Å; W140-K175 HydrophobicContact CZ3-CB 3.26Å; W140-K175 HydrophobicContact CZ3-CD 4.02Å; W140-K175 HydrophobicContact CZ3-CG 3.52Å; W140-K175 VanDerWaalsContact CZ3-N 3.33Å; K175-D194 PolarHBondContact N-O 3.01Å
176	A	58.5	Low	63.8	Low	35 Å²	35	85.7 Å²	85.7	29%	0.289	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-67	137.7	173.1	0	0	0	0	0	110.3	R174 S178	R174-A176 PolarHBondContact O-N 3Å; A176-S178 PolarHBondContact O-N 3.41Å
177	P	52	Low	61	Low	122 Å²	122	89.9 Å²	89.9	79%	0.792	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-67.5	124.5	175.7	25	-30.4	0	0	0	110.3	R179	P177-R179 PolarHBondContact O-N 2.96Å
178	S	42.2	Very low	58.1	Low	102 Å²	102	101.7 Å²	101.7	71%	0.713	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-64.7	125	175.9	53.8	0	0	0	0	110.6	A176 D180	A176-S178 PolarHBondContact O-N 3.41Å; S178-D180 VanDerWaalsContact C-N 3.27Å; S178-D180 PolarHBondContact O-N 2.94Å
179	R	44.8	Very low	55.4	Low	241 Å²	241	105.9 Å²	105.9	91%	0.909	58%	0.58	S	S	*	*	S	Bend	trans	-73.9	82.6	169.3	-64.4	176.2	82.6	-176.7	6.9	108.4	P177	P177-R179 PolarHBondContact O-N 2.96Å
180	D	43.4	Very low	53	Low	154 Å²	154	109.3 Å²	109.3	82%	0.824	61%	0.608	S	S	*	*			trans	171.3	84.3	155.2	-85.4	-24.4	0	0	0	109.1	S178	S178-D180 VanDerWaalsContact C-N 3.27Å; S178-D180 PolarHBondContact O-N 2.94Å
181	E	35.3	Very low	51	Low	174 Å²	174	112.8 Å²	112.8	81%	0.813	62%	0.624	S	S	*	*			trans	-157.7	131	159	-104.2	-70.3	105.4	0	0	108.3
182	P	39.4	Very low	49.3	Very low	107 Å²	107	114.6 Å²	114.6	70%	0.695	64%	0.636	S	S	*	*			trans	-76	134.2	-176.7	1.8	13.6	0	0	0	111.6	S184	P182-S184 PolarHBondContact O-N 3.22Å; P182-S184 VanDerWaalsContact O-N 3.17Å
183	C	37.3	Very low	47.7	Very low	142 Å²	142	120.2 Å²	120.2	96%	0.959	66%	0.662	S	S	*	*			trans	-62.2	112	-179	-151.6	0	0	0	0	111.8
184	S	32.6	Very low	46.8	Very low	108 Å²	108	123.5 Å²	123.5	76%	0.755	68%	0.679	S	S	*	*			trans	-151	131.9	162.7	-176.4	0	0	0	0	112.3	P182	P182-S184 PolarHBondContact O-N 3.22Å; P182-S184 VanDerWaalsContact O-N 3.17Å
185	S	35.3	Very low	46.9	Very low	106 Å²	106	120.2 Å²	120.2	74%	0.741	67%	0.668	S	S	*	*			trans	90.4	125.4	166.6	78.3	0	0	0	0	118.7	S187	S185-S187 PolarHBondContact O-N 2.8Å
186	T	39.4	Very low	47.9	Very low	152 Å²	152	116.5 Å²	116.5	93%	0.933	65%	0.653	S	S	*	*			trans	-62.9	95.9	176	26.9	0	0	0	0	112.4
187	S	34.9	Very low	49.4	Very low	95 Å²	95	115 Å²	115	66%	0.664	64%	0.64	S	S	*	*			trans	-155.7	116.8	150.2	49.6	0	0	0	0	107.8	S185 P189	S185-S187 PolarHBondContact O-N 2.8Å; S187-P189 VanDerWaalsContact O-CD 3.23Å; S187-P189 WeakPolarHBondContact O-CD 3.47Å
188	R	32.7	Very low	51.3	Low	248 Å²	248	109.6 Å²	109.6	94%	0.936	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-56.2	116.9	168.6	-88.6	174	149	-176	-7.4	107.9	A190	R188-A190 PolarHBondContact O-N 3.39Å
189	P	36.9	Very low	53.7	Low	111 Å²	111	104.8 Å²	104.8	72%	0.721	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-65.4	134.1	165.1	-8.7	25.3	0	0	0	107	S187 L191	S187-P189 VanDerWaalsContact O-CD 3.23Å; S187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-L191 PolarHBondContact O-N 2.89Å
190	A	41.8	Very low	56	Low	71 Å²	71	97.3 Å²	97.3	59%	0.587	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-58.3	125	174.3	0	0	0	0	0	108.3	R188 E192	R188-A190 PolarHBondContact O-N 3.39Å; A190-E192 PolarHBondContact O-N 2.8Å
191	L	49.4	Very low	58.3	Low	127 Å²	127	91.1 Å²	91.1	67%	0.665	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-3.5	-178.1	-80.8	152.3	0	0	0	114.5	P189	P189-L191 PolarHBondContact O-N 2.89Å
192	E	52.4	Low	60.7	Low	116 Å²	116	84.1 Å²	84.1	54%	0.542	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-19.3	-168.6	-65.8	176.4	176.9	0	0	114.5	A190 S214	A190-E192 PolarHBondContact O-N 2.8Å; E192-S214 WeakPolarHBondContact O-CB 3.47Å; E192-S214 PolarHBondContact O-OG 2.76Å
193	E	55.6	Low	62.7	Low	125 Å²	125	82.6 Å²	82.6	58%	0.584	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.4	-178	-76.7	-150.1	135.4	0	0	114.9	R215	E193-R215 IonicContact OE1-CZ 2.9Å; E193-R215 IonicContact OE1-NH2 2.83Å; E193-R215 PolarHBondContact OE1-NH2 3.48Å
194	D	68.8	Low	64.8	Low	71 Å²	71	79.6 Å²	79.6	38%	0.38	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.2	-177.3	-71.6	-23.5	0	0	0	114.2	R174 K175	R174-D194 WeakPolarHBondContact CA-O 3.46Å; R174-D194 HydrophobicContact CG-CB 4.09Å; R174-D194 WeakPolarHBondContact CG-O 3.48Å; R174-D194 IonicContact NH2-OD2 3.47Å; R174-D194 PolarHBondContact NH2-OD2 2.92Å; K175-D194 PolarHBondContact N-O 3.01Å
195	V	84	Confident	67	Low	8 Å²	8	79.3 Å²	79.3	5%	0.048	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.2	-175.1	-177.4	0	0	0	0	110.4	V172 Y197	V172-V195 HydrophobicContact CG1-CG1 3.39Å; V195-Y197 HydrophobicContact CG1-CE1 4.37Å; V195-Y197 HydrophobicContact CG1-CE2 4.22Å
196	I	89.1	Confident	68.9	Low	32 Å²	32	80.5 Å²	80.5	16%	0.164	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.8	174.3	-62.8	-177.1	0	0	0	108.9	W140 T173 Q211	W140-I196 HydrophobicContact CE3-CD1 4.17Å; W140-I196 HydrophobicContact CH2-CD1 3.48Å; W140-I196 VanDerWaalsContact CH2-CD1 3.48Å; W140-I196 HydrophobicContact CZ2-CD1 4.25Å; W140-I196 HydrophobicContact CZ3-CD1 3.42Å; W140-I196 VanDerWaalsContact CZ3-CD1 3.42Å; W140-I196 HydrophobicContact CZ3-CG1 4.08Å; T173-I196 PolarHBondContact N-O 3.21Å; T173-I196 PolarHBondContact O-N 3.35Å; I196-Q211 HydrophobicContact CG2-CB 3.98Å; I196-Q211 HydrophobicContact CG2-CG 4.42Å
197	Y	91.1	Very high	70.9	Confident	4 Å²	4	77.7 Å²	77.7	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.1	174.5	-66.7	-77.7	0	0	0	109.9	G146 L147 Y148 V169 V172 V195 Q211 M212 V217	G146-Y197 WeakPolarHBondContact CA-OH 3.48Å; L147-Y197 PolarHBondContact N-OH 3.2Å; Y148-Y197 HydrophobicContact CD2-CE1 4.15Å; Y148-Y197 HydrophobicContact CD2-CE2 4.08Å; Y148-Y197 AromaticContact CD2-CZ 3.76Å; Y148-Y197 PolarHBondContact N-OH 2.85Å; Y148-Y197 WeakPolarHBondContact O-CE1 3.34Å; V169-Y197 HydrophobicContact CG1-CD1 4.21Å; V172-Y197 HydrophobicContact CG1-CD1 4.13Å; V172-Y197 HydrophobicContact CG1-CE1 3.93Å; V172-Y197 HydrophobicContact CG2-CD1 3.77Å; V172-Y197 HydrophobicContact CG2-CE1 3.91Å; V195-Y197 HydrophobicContact CG1-CE1 4.37Å; V195-Y197 HydrophobicContact CG1-CE2 4.22Å; Y197-Q211 CarbonylContact O-C 3.55Å; Y197-M212 PolarHBondContact N-O 3.11Å; Y197-M212 PolarHBondContact O-N 3.49Å; Y197-V217 HydrophobicContact CD2-CB 4.08Å; Y197-V217 HydrophobicContact CD2-CG1 4.44Å; Y197-V217 HydrophobicContact CD2-CG2 4.01Å; Y197-V217 HydrophobicContact CG-CG1 4.48Å; Y197-V217 HydrophobicContact CG-CG2 4.25Å
198	H	91.6	Very high	73.4	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.037	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.9	171.8	-62.7	-111.5	0	0	0	106.8	V170 R171 T173 V209 V210 Q211	V170-H198 WeakPolarHBondContact CA-O 3.33Å; V170-H198 WeakPolarHBondContact CB-O 3.38Å; V170-H198 PolarHBondContact N-O 2.81Å; R171-H198 HydrophobicContact CB-CB 3.92Å; R171-H198 PolarHBondContact N-O 3.26Å; R171-H198 PolarHBondContact NH2-CE1 2.92Å; R171-H198 PolarHBondContact NH2-ND1 3.37Å; R171-H198 WeakPolarHBondContact O-CB 3.33Å; R171-H198 PolarHBondContact O-N 3.05Å; T173-H198 PolarHBondContact OG1-NE2 2.89Å; H198-V209 HydrophobicContact CB-CG1 3.65Å; H198-V210 CarbonylContact C-O 3.49Å; H198-V210 WeakPolarHBondContact CA-O 3.44Å; H198-Q211 PolarHBondContact CE1-NE2 3Å
199	V	92.7	Very high	76.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.2	-174.3	-52.9	0	0	0	0	110.7	V154 A156 A167 Q168 V169 V209 V210 M212	V154-V199 HydrophobicContact CG2-CG1 4.23Å; A156-V199 HydrophobicContact CB-CG2 4.14Å; A167-V199 HydrophobicContact CB-CB 4.13Å; A167-V199 HydrophobicContact CB-CG2 4.16Å; Q168-V199 CarbonylContact O-C 3.54Å; Q168-V199 VanDerWaalsContact O-CA 3.28Å; Q168-V199 WeakPolarHBondContact O-CA 3.47Å; V169-V199 HydrophobicContact CG2-CG1 4.42Å; V199-V209 WeakPolarHBondContact O-CA 3.47Å; V199-V210 PolarHBondContact N-O 3.14Å; V199-V210 PolarHBondContact O-N 3.03Å; V199-M212 HydrophobicContact CG1-CG 4.32Å; V199-M212 HydrophobicContact CG2-CG 3.51Å; V199-M212 HydrophobicContact CG2-SD 4.47Å
200	K	92.2	Very high	78.7	Confident	85 Å²	85	63.6 Å²	63.6	37%	0.37	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.7	167	65.4	-176	179.4	-176.2	0	108.7	A167 Q168 V170	A167-K200 CarbonylContact C-O 3.59Å; A167-K200 WeakPolarHBondContact CA-O 3.4Å; A167-K200 VanDerWaalsContact CB-O 3.32Å; A167-K200 WeakPolarHBondContact CB-O 3.47Å; Q168-K200 HydrophobicContact CB-CG 4.25Å; Q168-K200 PolarHBondContact N-O 3.42Å; Q168-K200 PolarHBondContact O-N 2.66Å; V170-K200 HydrophobicContact CG2-CB 3.88Å; V170-K200 HydrophobicContact CG2-CD 3.77Å; V170-K200 HydrophobicContact CG2-CG 3.66Å
201	Y	91.9	Very high	81	Confident	23 Å²	23	66.4 Å²	66.4	9%	0.09	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.8	177.8	-68.9	-75.6	0	0	0	110.9	A156 F165 E166 A167 D203 V210	A156-Y201 HydrophobicContact CB-CE1 3.84Å; F165-Y201 HydrophobicContact CB-CD1 3.69Å; F165-Y201 HydrophobicContact CB-CE1 3.63Å; F165-Y201 HydrophobicContact CG-CE1 4.4Å; E166-Y201 CarbonylContact O-C 3.54Å; E166-Y201 WeakPolarHBondContact O-CA 3.46Å; A167-Y201 HydrophobicContact CB-CD1 3.94Å; A167-Y201 HydrophobicContact CB-CE1 4.3Å; Y201-D203 VanDerWaalsContact C-N 3.32Å; Y201-D203 PolarHBondContact O-N 2.66Å; Y201-V210 HydrophobicContact CD2-CG2 4.39Å; Y201-V210 HydrophobicContact CE2-CB 4.32Å; Y201-V210 HydrophobicContact CE2-CG2 3.99Å
202	D	86.4	Confident	82.9	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.15	32%	0.316	C	S	.	.	S	Bend	trans	-67.6	-31.8	-173.2	-74.5	-2.3	0	0	0	112.8	E166 R220 R308	E166-D202 HydrophobicContact CB-CB 3.97Å; E166-D202 PolarHBondContact O-N 2.9Å; D202-R220 IonicContact OD2-CZ 3.01Å; D202-R220 IonicContact OD2-NH2 3.95Å; D202-R220 PolarHBondContact OD2-NH2 2.79Å; D202-R308 PolarHBondContact O-NH1 3.02Å; D202-R308 PolarHBondContact O-NH2 3.08Å
203	D	79.9	Confident	84.7	Confident	74 Å²	74	58.3 Å²	58.3	40%	0.396	31%	0.305	S	S	.	.	S	Bend	trans	-109.3	-3.7	-177.1	-73.8	-64.3	0	0	0	113.7	Y201 P205 R308	Y201-D203 VanDerWaalsContact C-N 3.32Å; Y201-D203 PolarHBondContact O-N 2.66Å; D203-P205 VanDerWaalsContact C-CD 3.44Å; D203-R308 IonicContact OD1-CZ 3.33Å; D203-R308 IonicContact OD1-NH1 3.11Å; D203-R308 PolarHBondContact OD1-NH1 3.12Å; D203-R308 IonicContact OD2-NH1 2.77Å
204	Y	83	Confident	86.2	Confident	80 Å²	80	53.6 Å²	53.6	31%	0.314	29%	0.286	S	S	.	.			trans	-130.1	60.6	-176	-54.8	-89.9	0	0	0	111.7	F165 E206 N207	F165-Y204 AromaticContact CD1-CE2 3.84Å; F165-Y204 HydrophobicContact CD1-CE2 3.84Å; F165-Y204 HydrophobicContact CE1-CE2 4.06Å; Y204-E206 VanDerWaalsContact C-OE2 3.22Å; Y204-E206 WeakPolarHBondContact CA-OE2 3.45Å; Y204-E206 WeakPolarHBondContact CD1-OE1 3.5Å; Y204-E206 PolarHBondContact O-N 3.29Å; Y204-N207 PolarHBondContact O-N 2.87Å
205	P	78.3	Confident	87.1	Confident	101 Å²	101	57.2 Å²	57.2	66%	0.656	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.6	-178.3	27.6	-36.5	0	0	0	113.4	D203 N207 G208	D203-P205 VanDerWaalsContact C-CD 3.44Å; P205-N207 PolarHBondContact O-N 3.03Å; P205-G208 PolarHBondContact O-N 3.09Å; P205-G208 VanDerWaalsContact O-N 3.09Å
206	E	73.8	Confident	87.4	Confident	132 Å²	132	57.4 Å²	57.4	62%	0.617	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.3	-24.9	177.7	66.5	-80.8	-173.2	0	0	113.6	Y204 G208	Y204-E206 VanDerWaalsContact C-OE2 3.22Å; Y204-E206 WeakPolarHBondContact CA-OE2 3.45Å; Y204-E206 WeakPolarHBondContact CD1-OE1 3.5Å; Y204-E206 PolarHBondContact O-N 3.29Å; E206-G208 PolarHBondContact O-N 3.08Å
207	N	81.4	Confident	87.6	Confident	92 Å²	92	56.1 Å²	56.1	49%	0.492	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-76.5	-7.7	176.4	-69.6	-31.2	0	0	0	112.9	Y204 P205 V210	Y204-N207 PolarHBondContact O-N 2.87Å; P205-N207 PolarHBondContact O-N 3.03Å; N207-V210 HydrophobicContact CB-CG2 4.4Å
208	G	87.9	Confident	87.6	Confident	34 Å²	34	56.7 Å²	56.7	35%	0.351	29%	0.291	S	S	.	.			trans	61.6	-137.3	-178.4	0	0	0	0	0	112.6	P205 E206	P205-G208 PolarHBondContact O-N 3.09Å; P205-G208 VanDerWaalsContact O-N 3.09Å; E206-G208 PolarHBondContact O-N 3.08Å
209	V	90.1	Very high	87.6	Confident	81 Å²	81	56.7 Å²	56.7	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-103.7	119.7	-179.6	-177.7	0	0	0	0	109.4	V170 H198 V199	V170-V209 HydrophobicContact CB-CG1 4.29Å; V170-V209 HydrophobicContact CG1-CG2 4.33Å; V170-V209 HydrophobicContact CG2-CG1 4.49Å; V170-V209 HydrophobicContact CG2-CG2 4.32Å; H198-V209 HydrophobicContact CB-CG1 3.65Å; V199-V209 WeakPolarHBondContact O-CA 3.47Å
210	V	90.9	Very high	87.6	Confident	44 Å²	44	56.9 Å²	56.9	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	-175.8	-175.6	0	0	0	0	110.6	H198 V199 Y201 N207 M212	H198-V210 CarbonylContact C-O 3.49Å; H198-V210 WeakPolarHBondContact CA-O 3.44Å; V199-V210 PolarHBondContact N-O 3.14Å; V199-V210 PolarHBondContact O-N 3.03Å; Y201-V210 HydrophobicContact CD2-CG2 4.39Å; Y201-V210 HydrophobicContact CE2-CB 4.32Å; Y201-V210 HydrophobicContact CE2-CG2 3.99Å; N207-V210 HydrophobicContact CB-CG2 4.4Å; V210-M212 HydrophobicContact CG1-SD 3.79Å
211	Q	91.2	Very high	87.6	Confident	130 Å²	130	53.2 Å²	53.2	61%	0.607	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.3	176.1	-61.7	-173.1	5.4	0	0	110.9	I196 Y197 H198	I196-Q211 HydrophobicContact CG2-CB 3.98Å; I196-Q211 HydrophobicContact CG2-CG 4.42Å; Y197-Q211 CarbonylContact O-C 3.55Å; H198-Q211 PolarHBondContact CE1-NE2 3Å
212	M	89.1	Confident	87.4	Confident	15 Å²	15	56.3 Å²	56.3	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.9	-176.8	-55.6	-57.1	-66.9	0	0	110.6	A156 R157 Y197 V199 V210 D216 V217	A156-M212 HydrophobicContact CB-CE 4.32Å; R157-M212 WeakPolarHBondContact O-CE 3.31Å; Y197-M212 PolarHBondContact N-O 3.11Å; Y197-M212 PolarHBondContact O-N 3.49Å; V199-M212 HydrophobicContact CG1-CG 4.32Å; V199-M212 HydrophobicContact CG2-CG 3.51Å; V199-M212 HydrophobicContact CG2-SD 4.47Å; V210-M212 HydrophobicContact CG1-SD 3.79Å; M212-D216 HydrophobicContact CE-CB 3.97Å; M212-V217 HydrophobicContact CB-CG2 3.55Å; M212-V217 HydrophobicContact CG-CG2 4.26Å
213	N	89.5	Confident	87.6	Confident	58 Å²	58	58 Å²	58	31%	0.31	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	150.8	169.2	-168.4	-67.2	0	0	0	109.9	R215 D216	N213-R215 HydrophobicContact CB-CG 4.16Å; N213-R215 PolarHBondContact O-N 3.1Å; N213-R215 VanDerWaalsContact O-N 3.16Å; N213-R215 WeakPolarHBondContact OD1-CG 3.45Å; N213-R215 PolarHBondContact OD1-N 3.19Å; N213-R215 VanDerWaalsContact OD1-N 3.12Å; N213-D216 PolarHBondContact O-N 3.19Å
214	S	86.8	Confident	88.3	Confident	26 Å²	26	58.6 Å²	58.6	18%	0.182	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.6	177.7	61.3	0	0	0	0	114.2	E192 D216 V217	E192-S214 WeakPolarHBondContact O-CB 3.47Å; E192-S214 PolarHBondContact O-OG 2.76Å; S214-D216 VanDerWaalsContact C-N 3.27Å; S214-D216 PolarHBondContact O-N 3.45Å; S214-V217 PolarHBondContact O-N 2.78Å
215	R	87.9	Confident	88.9	Confident	147 Å²	147	55.6 Å²	55.6	56%	0.555	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-69.7	-20.8	176.5	72.4	-176.1	61.3	174.1	-4.5	114.4	E193 N213	E193-R215 IonicContact OE1-CZ 2.9Å; E193-R215 IonicContact OE1-NH2 2.83Å; E193-R215 PolarHBondContact OE1-NH2 3.48Å; N213-R215 HydrophobicContact CB-CG 4.16Å; N213-R215 PolarHBondContact O-N 3.1Å; N213-R215 VanDerWaalsContact O-N 3.16Å; N213-R215 WeakPolarHBondContact OD1-CG 3.45Å; N213-R215 PolarHBondContact OD1-N 3.19Å; N213-R215 VanDerWaalsContact OD1-N 3.12Å
216	D	91.4	Very high	89.7	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.064	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-102.1	11.3	-176.2	-62.4	-54.1	0	0	0	112	A156 R157 M212 N213 S214	A156-D216 CarbonylContact C-O 3.55Å; A156-D216 WeakPolarHBondContact CA-O 3.03Å; R157-D216 HydrophobicContact CB-CB 4.13Å; R157-D216 IonicContact CZ-OD1 2.75Å; R157-D216 PolarHBondContact N-O 3.41Å; R157-D216 IonicContact NE-OD1 3.26Å; R157-D216 PolarHBondContact NE-OD1 2.81Å; R157-D216 IonicContact NH2-OD1 2.83Å; R157-D216 PolarHBondContact NH2-OD1 2.8Å; M212-D216 HydrophobicContact CE-CB 3.97Å; N213-D216 PolarHBondContact O-N 3.19Å; S214-D216 VanDerWaalsContact C-N 3.27Å; S214-D216 PolarHBondContact O-N 3.45Å
217	V	91.8	Very high	90.6	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.7	177.6	-177.2	0	0	0	0	109.3	Y148 V154 Y197 M212 S214	Y148-V217 HydrophobicContact CD2-CB 4.32Å; Y148-V217 HydrophobicContact CD2-CG1 3.69Å; Y148-V217 HydrophobicContact CE2-CB 4.36Å; Y148-V217 HydrophobicContact CE2-CG1 4.05Å; Y148-V217 WeakPolarHBondContact CE2-O 3.32Å; Y148-V217 HydrophobicContact CG-CG1 4.37Å; V154-V217 HydrophobicContact CB-CG1 3.76Å; V154-V217 HydrophobicContact CG1-CG1 3.99Å; V154-V217 HydrophobicContact CG2-CG1 3.85Å; Y197-V217 HydrophobicContact CD2-CB 4.08Å; Y197-V217 HydrophobicContact CD2-CG1 4.44Å; Y197-V217 HydrophobicContact CD2-CG2 4.01Å; Y197-V217 HydrophobicContact CG-CG1 4.48Å; Y197-V217 HydrophobicContact CG-CG2 4.25Å; M212-V217 HydrophobicContact CB-CG2 3.55Å; M212-V217 HydrophobicContact CG-CG2 4.26Å; S214-V217 PolarHBondContact O-N 2.78Å
218	R	92.1	Very high	91.2	Very high	16 Å²	16	53.4 Å²	53.4	6%	0.06	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.6	172.8	69.1	-172	-178.5	-171.4	-1.2	112.5	Y148 V154 D155 W164 R220 M237 D253 I293	Y148-R218 WeakPolarHBondContact OH-CA 3.49Å; V154-R218 CarbonylContact C-O 3.59Å; V154-R218 WeakPolarHBondContact CA-O 3.49Å; V154-R218 VanDerWaalsContact CB-O 3.23Å; V154-R218 WeakPolarHBondContact CB-O 3.34Å; D155-R218 HydrophobicContact CB-CG 4Å; D155-R218 PolarHBondContact N-O 2.99Å; D155-R218 PolarHBondContact O-N 3.4Å; W164-R218 VanDerWaalsContact CD1-NH2 3.33Å; W164-R218 HydrophobicContact CE3-CG 3.95Å; W164-R218 HydrophobicContact CH2-CB 4.43Å; W164-R218 HydrophobicContact CH2-CG 3.97Å; W164-R218 HydrophobicContact CZ3-CB 4.22Å; W164-R218 HydrophobicContact CZ3-CG 3.54Å; R218-R220 PolarHBondContact O-N 3.47Å; R218-M237 PolarHBondContact NH2-SD 3.43Å; R218-D253 IonicContact CZ-OD1 3.71Å; R218-D253 VanDerWaalsContact CZ-OD1 3.26Å; R218-D253 IonicContact CZ-OD2 3.89Å; R218-D253 VanDerWaalsContact NH1-CG 3.32Å; R218-D253 IonicContact NH1-OD1 2.85Å; R218-D253 PolarHBondContact NH1-OD1 2.81Å; R218-D253 IonicContact NH1-OD2 2.85Å; R218-D253 PolarHBondContact NH1-OD2 2.94Å; R218-D253 IonicContact NH2-OD1 2.66Å; R218-D253 PolarHBondContact NH2-OD1 2.76Å; R218-D253 IonicContact NH2-OD2 2.71Å; R218-I293 VanDerWaalsContact NH1-CG2 3.26Å
219	A	91.6	Very high	91.5	Very high	9 Å²	9	56.4 Å²	56.4	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	139.5	174.8	0	0	0	0	0	110.7	Y148 A221 E294	Y148-A219 HydrophobicContact CE1-CB 4.05Å; A219-A221 PolarHBondContact O-N 3.3Å; A219-E294 HydrophobicContact CB-CB 4.09Å
220	R	92.1	Very high	91.8	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.015	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-56.4	129.5	-179.2	166.5	84.1	76.6	-96.2	-11.6	110.8	Y153 V154 D155 E166 A167 D202 R218 R222 M302 P306	Y153-R220 VanDerWaalsContact O-CB 3.26Å; Y153-R220 WeakPolarHBondContact O-CB 3.37Å; Y153-R220 PolarHBondContact O-N 3.28Å; Y153-R220 VanDerWaalsContact O-N 3.16Å; V154-R220 PolarHBondContact O-NH1 3.45Å; D155-R220 IonicContact OD1-CZ 2.63Å; D155-R220 IonicContact OD1-NE 3.58Å; D155-R220 IonicContact OD1-NH1 3.51Å; D155-R220 PolarHBondContact OD1-NH1 2.73Å; D155-R220 WeakPolarHBondContact OD2-CA 3.37Å; E166-R220 VanDerWaalsContact CA-CZ 3.41Å; E166-R220 VanDerWaalsContact CB-CZ 3.48Å; E166-R220 VanDerWaalsContact CG-CZ 3.49Å; A167-R220 PolarHBondContact O-NH2 3.19Å; D202-R220 IonicContact OD2-CZ 3.01Å; D202-R220 IonicContact OD2-NH2 3.95Å; D202-R220 PolarHBondContact OD2-NH2 2.79Å; R218-R220 PolarHBondContact O-N 3.47Å; R220-R222 PolarHBondContact O-N 3.34Å; R220-M302 HydrophobicContact CB-CE 3.34Å; R220-M302 HydrophobicContact CG-CE 3.08Å; R220-M302 WeakPolarHBondContact O-CE 3.5Å; R220-P306 HydrophobicContact CG-CB 4.34Å; R220-P306 HydrophobicContact CG-CG 3.94Å
221	A	91.9	Very high	92	Very high	8 Å²	8	57.2 Å²	57.2	7%	0.066	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-61	128.5	175.5	0	0	0	0	0	111	D155 A219 M237 F291	D155-A221 WeakPolarHBondContact OD2-CB 3.2Å; D155-A221 PolarHBondContact OD2-N 3.12Å; A219-A221 PolarHBondContact O-N 3.3Å; A221-M237 HydrophobicContact CB-CE 3.33Å; A221-F291 HydrophobicContact CB-CB 4.12Å; A221-F291 HydrophobicContact CB-CD1 3.84Å; A221-F291 HydrophobicContact CB-CG 4.15Å
222	R	88.6	Confident	92.2	Very high	87 Å²	87	55.5 Å²	55.5	33%	0.328	27%	0.271	S	S	.	.			trans	-132.4	-18.5	-176.1	67.3	-172	79	172.5	11.8	113.9	R220 S300 M302	R220-R222 PolarHBondContact O-N 3.34Å; R222-S300 VanDerWaalsContact CZ-O 3.27Å; R222-S300 PolarHBondContact NH1-O 2.83Å; R222-S300 PolarHBondContact NH1-OG 3.41Å; R222-S300 PolarHBondContact NH2-O 2.93Å; R222-M302 HydrophobicContact CB-CE 4.13Å; R222-M302 HydrophobicContact CB-SD 4.42Å
223	T	90.9	Very high	92.4	Very high	63 Å²	63	56.7 Å²	56.7	39%	0.387	29%	0.286	S	S	.	.			trans	-105.3	113.2	-172.8	-45.9	0	0	0	0	110.3	F291 K292 E294	T223-F291 WeakPolarHBondContact O-CA 3.3Å; T223-K292 HydrophobicContact CG2-CB 4.47Å; T223-K292 PolarHBondContact O-N 3.18Å; T223-E294 PolarHBondContact OG1-OE1 2.85Å
224	I	94.2	Very high	92.7	Very high	87 Å²	87	56.7 Å²	56.7	45%	0.446	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-82.1	127.4	170.7	-64.8	175	0	0	0	109	D288 V290 F291	I224-D288 WeakPolarHBondContact CG2-O 3.45Å; I224-V290 CarbonylContact C-O 3.55Å; I224-V290 WeakPolarHBondContact CA-O 3.45Å; I224-F291 HydrophobicContact CD1-CE1 4.42Å; I224-F291 HydrophobicContact CD1-CZ 4.13Å; I224-F291 HydrophobicContact CG1-CD1 4.1Å; I224-F291 HydrophobicContact CG1-CE1 3.68Å; I224-F291 HydrophobicContact CG1-CE2 4.28Å; I224-F291 HydrophobicContact CG1-CZ 3.78Å
225	I	95.1	Very high	93.2	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.092	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-85.4	120.8	173.9	-55.3	169.3	0	0	0	107.7	D229 L230 V236 V290 K292	I225-D229 HydrophobicContact CG2-CB 3.81Å; I225-L230 HydrophobicContact CB-CD2 3.86Å; I225-L230 HydrophobicContact CG2-CD2 3.52Å; I225-L230 HydrophobicContact CG2-CG 4Å; I225-V236 HydrophobicContact CD1-CG1 3.69Å; I225-V290 PolarHBondContact N-O 3.44Å; I225-K292 HydrophobicContact CD1-CB 3.98Å; I225-K292 HydrophobicContact CG1-CB 3.99Å
226	K	95.4	Very high	93.6	Very high	139 Å²	139	52.6 Å²	52.6	60%	0.604	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-70.5	155.1	179.3	-65.7	-179.5	-179	174.3	0	110.2	Q228 D229 L230	K226-Q228 PolarHBondContact O-N 3.35Å; K226-D229 PolarHBondContact O-N 3.11Å; K226-L230 PolarHBondContact O-N 3.02Å
227	W	92.9	Very high	93.9	Very high	6 Å²	6	52 Å²	52	2%	0.023	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-47.4	-41.2	178.6	173.8	-102.5	0	0	0	113.5	D229 L230 K259 E261 R266 L268 V287	W227-D229 VanDerWaalsContact C-N 3.27Å; W227-D229 PolarHBondContact O-N 3.48Å; W227-L230 HydrophobicContact CE3-CD1 4.23Å; W227-L230 PolarHBondContact O-N 3.34Å; W227-K259 VanDerWaalsContact CE2-CE 3.49Å; W227-K259 HydrophobicContact CH2-CD 4.39Å; W227-K259 HydrophobicContact CH2-CG 3.54Å; W227-K259 HydrophobicContact CZ2-CD 4.23Å; W227-K259 HydrophobicContact CZ2-CG 3.63Å; W227-K259 HydrophobicContact CZ3-CG 4.22Å; W227-K259 WeakPolarHBondContact O-CE 3.44Å; W227-K259 PolarHBondContact O-NZ 2.93Å; W227-E261 HydrophobicContact CZ2-CB 4.12Å; W227-E261 PolarHBondContact NE1-OE2 3.08Å; W227-R266 HydrophobicContact CD2-CB 4.27Å; W227-R266 HydrophobicContact CD2-CG 4.12Å; W227-R266 HydrophobicContact CE3-CB 4.16Å; W227-R266 HydrophobicContact CE3-CG 4.5Å; W227-R266 HydrophobicContact CH2-CB 3.73Å; W227-R266 HydrophobicContact CH2-CG 4.32Å; W227-R266 HydrophobicContact CZ2-CB 3.85Å; W227-R266 HydrophobicContact CZ2-CG 3.93Å; W227-R266 HydrophobicContact CZ3-CB 3.88Å; W227-L268 HydrophobicContact CZ3-CB 4.1Å; W227-L268 HydrophobicContact CZ3-CD1 4.4Å; W227-V287 HydrophobicContact CE3-CB 4.13Å; W227-V287 HydrophobicContact CZ3-CB 4.18Å; W227-V287 HydrophobicContact CZ3-CG1 4.17Å
228	Q	93.7	Very high	94.1	Very high	134 Å²	134	51.8 Å²	51.8	63%	0.626	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-64.6	-33.4	-177.9	-63.7	76.3	19.2	0	0	112.4	K226	K226-Q228 PolarHBondContact O-N 3.35Å
229	D	95.1	Very high	94.3	Very high	97 Å²	97	51.1 Å²	51.1	52%	0.519	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-91.9	-0	-172.9	-52	-35	0	0	0	112.7	I225 K226 W227	I225-D229 HydrophobicContact CG2-CB 3.81Å; K226-D229 PolarHBondContact O-N 3.11Å; W227-D229 VanDerWaalsContact C-N 3.27Å; W227-D229 PolarHBondContact O-N 3.48Å
230	L	95.6	Very high	94.4	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	27%	0.268	C	S	.	.			trans	-80.1	124.1	175.1	-67.1	174.5	0	0	0	111.4	I225 K226 W227 V236 I256 K259 L268 V290	I225-L230 HydrophobicContact CB-CD2 3.86Å; I225-L230 HydrophobicContact CG2-CD2 3.52Å; I225-L230 HydrophobicContact CG2-CG 4Å; K226-L230 PolarHBondContact O-N 3.02Å; W227-L230 HydrophobicContact CE3-CD1 4.23Å; W227-L230 PolarHBondContact O-N 3.34Å; L230-V236 HydrophobicContact CD2-CG1 4.48Å; L230-I256 HydrophobicContact CB-CD1 4.05Å; L230-I256 HydrophobicContact CD2-CD1 3.74Å; L230-I256 HydrophobicContact CG-CD1 4.37Å; L230-K259 WeakPolarHBondContact O-CD 3.42Å; L230-K259 PolarHBondContact O-NZ 2.94Å; L230-L268 HydrophobicContact CD1-CD1 4.46Å; L230-L268 HydrophobicContact CD1-CD2 4.08Å; L230-V290 HydrophobicContact CD1-CB 4.49Å; L230-V290 HydrophobicContact CD1-CG2 4.21Å; L230-V290 HydrophobicContact CD2-CB 4.13Å; L230-V290 HydrophobicContact CD2-CG1 3.66Å
231	E	95	Very high	94.4	Very high	138 Å²	138	52 Å²	52	65%	0.645	27%	0.27	S	S	*	.			trans	-115.7	149.1	-179.5	-64	-176.4	173.4	0	0	112.2	Q234 I256	E231-Q234 HydrophobicContact CB-CB 4.49Å; E231-Q234 VanDerWaalsContact N-OE1 3.13Å; E231-Q234 WeakPolarHBondContact O-CB 3.48Å; E231-Q234 PolarHBondContact O-N 2.98Å; E231-I256 WeakPolarHBondContact O-CB 3.34Å
232	V	95.5	Very high	94.2	Very high	95 Å²	95	53.4 Å²	53.4	58%	0.576	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	134.8	174.5	176.3	0	0	0	0	109.3	Q234 I256 S257 K259	V232-Q234 VanDerWaalsContact C-N 3.34Å; V232-I256 CarbonylContact C-O 3.52Å; V232-I256 HydrophobicContact CG2-CG2 4.41Å; V232-S257 WeakPolarHBondContact CG1-O 3.19Å; V232-K259 HydrophobicContact CG2-CB 4.37Å
233	G	93.8	Very high	94	Very high	39 Å²	39	56 Å²	56	40%	0.402	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-4.5	-171.9	0	0	0	0	0	113.9	I256	G233-I256 PolarHBondContact N-O 3.41Å
234	Q	95.8	Very high	93.7	Very high	59 Å²	59	57.6 Å²	57.6	28%	0.276	31%	0.305	S	S	.	.			trans	-76.7	132.2	177.2	-167	-179.3	10.7	0	0	110.7	E231 V232 V236 I256	E231-Q234 HydrophobicContact CB-CB 4.49Å; E231-Q234 VanDerWaalsContact N-OE1 3.13Å; E231-Q234 WeakPolarHBondContact O-CB 3.48Å; E231-Q234 PolarHBondContact O-N 2.98Å; V232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-V236 HydrophobicContact CB-CG1 4.46Å; Q234-V236 HydrophobicContact CG-CG1 3.83Å; Q234-I256 HydrophobicContact CB-CD1 4.32Å; Q234-I256 PolarHBondContact O-N 3.46Å
235	V	96.4	Very high	93.4	Very high	86 Å²	86	56.1 Å²	56.1	52%	0.521	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121	173.2	-170.2	0	0	0	0	109.2	A254 E255 I293	V235-A254 WeakPolarHBondContact CA-O 3.33Å; V235-E255 HydrophobicContact CG2-CB 4.45Å; V235-E255 HydrophobicContact CG2-CG 4.45Å; V235-I293 HydrophobicContact CG1-CD1 3.87Å
236	V	96.9	Very high	93	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.9	-173.5	-62.6	0	0	0	0	110.2	I225 L230 Q234 L238 D253 A254 I256 V290	I225-V236 HydrophobicContact CD1-CG1 3.69Å; L230-V236 HydrophobicContact CD2-CG1 4.48Å; Q234-V236 HydrophobicContact CB-CG1 4.46Å; Q234-V236 HydrophobicContact CG-CG1 3.83Å; V236-L238 HydrophobicContact CG2-CD2 4.01Å; V236-D253 WeakPolarHBondContact O-CA 3.28Å; V236-A254 PolarHBondContact N-O 3.4Å; V236-A254 PolarHBondContact O-N 2.77Å; V236-I256 HydrophobicContact CG1-CD1 4.21Å; V236-I256 HydrophobicContact CG2-CD1 4.08Å; V236-I256 HydrophobicContact CG2-CG1 3.99Å; V236-V290 HydrophobicContact CB-CG1 3.64Å; V236-V290 HydrophobicContact CG1-CG1 4.07Å; V236-V290 HydrophobicContact CG2-CG1 3.55Å
237	M	97.1	Very high	92.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.1	169.1	-174.1	-179.1	70	0	0	109.2	W164 R218 A221 W251 Y252 F291 I293	W164-M237 HydrophobicContact CB-SD 3.93Å; W164-M237 HydrophobicContact CG-SD 4.3Å; R218-M237 PolarHBondContact NH2-SD 3.43Å; A221-M237 HydrophobicContact CB-CE 3.33Å; M237-W251 HydrophobicContact CE-CE3 4.26Å; M237-W251 HydrophobicContact CG-CB 4.16Å; M237-W251 HydrophobicContact CG-CE3 4.48Å; M237-W251 HydrophobicContact SD-CB 3.99Å; M237-Y252 CarbonylContact C-O 3.52Å; M237-Y252 WeakPolarHBondContact CA-O 3.18Å; M237-F291 HydrophobicContact CB-CB 4.2Å; M237-F291 HydrophobicContact CE-CB 3.84Å; M237-F291 HydrophobicContact CE-CD2 4.24Å; M237-F291 HydrophobicContact CE-CG 4.04Å; M237-F291 PolarHBondContact N-O 3.33Å; M237-F291 PolarHBondContact O-N 3Å; M237-I293 HydrophobicContact CB-CG1 4.1Å
238	L	96.3	Very high	92.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.3	-176.8	56.8	73.6	0	0	0	112.2	V236 W251 Y252 A254 A270 V272 I284 V290	V236-L238 HydrophobicContact CG2-CD2 4.01Å; L238-W251 WeakPolarHBondContact O-CA 3.37Å; L238-Y252 PolarHBondContact N-O 3.11Å; L238-Y252 PolarHBondContact O-N 2.68Å; L238-A254 HydrophobicContact CD1-CB 4.02Å; L238-A254 HydrophobicContact CD2-CB 3.69Å; L238-A254 HydrophobicContact CG-CB 3.77Å; L238-A270 HydrophobicContact CD2-CB 3.94Å; L238-V272 HydrophobicContact CD1-CG2 4.32Å; L238-I284 HydrophobicContact CD1-CD1 3.64Å; L238-I284 HydrophobicContact CD1-CG1 4.29Å; L238-I284 HydrophobicContact CD1-CG2 4.38Å; L238-I284 HydrophobicContact CD2-CD1 4.02Å; L238-I284 HydrophobicContact CD2-CG1 3.82Å; L238-I284 HydrophobicContact CD2-CG2 4.21Å; L238-V290 HydrophobicContact CB-CG2 4.41Å
239	N	96.1	Very high	92.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127	177.6	-168.4	-80.9	0	0	0	111.2	R248 G249 F250 W251 F286	N239-R248 WeakPolarHBondContact OD1-CG 3.33Å; N239-G249 PolarHBondContact ND2-O 3.28Å; N239-G249 PolarHBondContact OD1-N 3.38Å; N239-F250 CarbonylContact C-O 3.49Å; N239-F250 VanDerWaalsContact CA-O 3.3Å; N239-F250 WeakPolarHBondContact CA-O 3.32Å; N239-W251 HydrophobicContact CB-CD2 4.49Å; N239-W251 HydrophobicContact CB-CE3 4.21Å; N239-W251 HydrophobicContact CB-CH2 4.05Å; N239-W251 HydrophobicContact CB-CZ2 4.32Å; N239-W251 HydrophobicContact CB-CZ3 4Å; N239-F286 HydrophobicContact CB-CD2 4.19Å
240	Y	94.2	Very high	92.2	Very high	20 Å²	20	52.4 Å²	52.4	8%	0.078	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.1	175.9	-169.9	-112.3	0	0	0	111.4	P242 P245 G249 F250 Y252 V272 L279 C282 I284	Y240-P242 HydrophobicContact CD1-CG 4.26Å; Y240-P242 HydrophobicContact CE1-CG 4.49Å; Y240-P245 HydrophobicContact CE2-CB 4Å; Y240-P245 WeakPolarHBondContact OH-CG 3.45Å; Y240-G249 CarbonylContact O-C 3.58Å; Y240-G249 WeakPolarHBondContact O-CA 3.27Å; Y240-F250 PolarHBondContact N-O 3.37Å; Y240-F250 PolarHBondContact O-N 3.06Å; Y240-Y252 VanDerWaalsContact O-CE2 3.28Å; Y240-Y252 WeakPolarHBondContact O-CE2 3.49Å; Y240-V272 HydrophobicContact CD1-CB 4.38Å; Y240-V272 HydrophobicContact CD1-CG1 4.16Å; Y240-V272 HydrophobicContact CD1-CG2 4Å; Y240-V272 HydrophobicContact CE1-CG2 4.5Å; Y240-V272 HydrophobicContact CG-CG2 4.07Å; Y240-L279 HydrophobicContact CE1-CD1 4.34Å; Y240-C282 HydrophobicContact CD2-CB 4.35Å; Y240-C282 HydrophobicContact CE1-CB 4.16Å; Y240-C282 HydrophobicContact CE2-CB 3.75Å; Y240-I284 HydrophobicContact CD2-CD1 3.88Å; Y240-I284 HydrophobicContact CE2-CD1 4.46Å; Y240-I284 HydrophobicContact CG-CD1 4.48Å
241	N	91.4	Very high	92.1	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.059	28%	0.278	C	S	.	.			trans	-125.4	104.9	175.2	-172.2	-36.7	0	0	0	108.5	D243 N244 P245 R248	N241-D243 VanDerWaalsContact C-N 3.29Å; N241-D243 PolarHBondContact O-N 3.03Å; N241-D243 PolarHBondContact OD1-N 3.01Å; N241-D243 VanDerWaalsContact OD1-N 3.15Å; N241-N244 WeakPolarHBondContact CB-O 3.28Å; N241-N244 CarbonylContact O-C 3.57Å; N241-N244 VanDerWaalsContact O-C 3.28Å; N241-N244 PolarHBondContact O-N 3.41Å; N241-N244 PolarHBondContact OD1-N 2.87Å; N241-P245 VanDerWaalsContact O-CA 3.29Å; N241-P245 WeakPolarHBondContact O-CA 3.36Å; N241-P245 VanDerWaalsContact O-N 3.17Å; N241-R248 PolarHBondContact ND2-O 3.07Å
242	P	87.3	Confident	92.2	Very high	39 Å²	39	46.2 Å²	46.2	25%	0.253	25%	0.249	S	C	.	.	S	Bend	trans	-59.3	-37.6	-178.8	-26.4	36.1	0	0	0	113.6	Y240 Y252 L274 L279	Y240-P242 HydrophobicContact CD1-CG 4.26Å; Y240-P242 HydrophobicContact CE1-CG 4.49Å; P242-Y252 HydrophobicContact CG-CE2 4.41Å; P242-L274 HydrophobicContact CB-CD1 4.21Å; P242-L274 HydrophobicContact CG-CD1 4Å; P242-L274 HydrophobicContact CG-CD2 3.92Å; P242-L279 HydrophobicContact CB-CD1 4.13Å
243	D	84.3	Confident	92.2	Very high	140 Å²	140	42.9 Å²	42.9	75%	0.749	23%	0.228	S	C	*	.	S	Bend	trans	-78.4	-35.5	-178.1	-57.2	-47.5	0	0	0	112.1	N241	N241-D243 VanDerWaalsContact C-N 3.29Å; N241-D243 PolarHBondContact O-N 3.03Å; N241-D243 PolarHBondContact OD1-N 3.01Å; N241-D243 VanDerWaalsContact OD1-N 3.15Å
244	N	84.9	Confident	92.4	Very high	97 Å²	97	41 Å²	41	52%	0.519	21%	0.209	S	C	.	.			trans	-134.3	77.4	-177.6	-68	-81	0	0	0	112	N241 K246 E247	N241-N244 WeakPolarHBondContact CB-O 3.28Å; N241-N244 CarbonylContact O-C 3.57Å; N241-N244 VanDerWaalsContact O-C 3.28Å; N241-N244 PolarHBondContact O-N 3.41Å; N241-N244 PolarHBondContact OD1-N 2.87Å; N244-K246 PolarHBondContact O-N 3.07Å; N244-E247 HydrophobicContact CB-CB 4.24Å; N244-E247 HydrophobicContact CB-CG 4.19Å; N244-E247 PolarHBondContact O-N 3.15Å
245	P	89.2	Confident	92.4	Very high	56 Å²	56	42.5 Å²	42.5	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.7	-170.4	-29.4	36.7	0	0	0	117.5	Y240 N241 I285	Y240-P245 HydrophobicContact CE2-CB 4Å; Y240-P245 WeakPolarHBondContact OH-CG 3.45Å; N241-P245 VanDerWaalsContact O-CA 3.29Å; N241-P245 WeakPolarHBondContact O-CA 3.36Å; N241-P245 VanDerWaalsContact O-N 3.17Å; P245-I285 WeakPolarHBondContact O-CG1 3.32Å
246	K	86.8	Confident	92.4	Very high	170 Å²	170	38.4 Å²	38.4	74%	0.739	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-14.1	177.8	-67.2	-177.5	-179.5	176.6	0	113.4	N244	N244-K246 PolarHBondContact O-N 3.07Å
247	E	86.2	Confident	92.4	Very high	60 Å²	60	40.3 Å²	40.3	28%	0.28	20%	0.204	S	C	.	.	S	Bend	trans	-102	164.6	-178.8	-59	-64.5	156.7	0	0	110.1	N244 K316	N244-E247 HydrophobicContact CB-CB 4.24Å; N244-E247 HydrophobicContact CB-CG 4.19Å; N244-E247 PolarHBondContact O-N 3.15Å; E247-K316 VanDerWaalsContact OE1-CE 3.28Å; E247-K316 WeakPolarHBondContact OE1-CE 3.22Å; E247-K316 IonicContact OE1-NZ 2.87Å; E247-K316 PolarHBondContact OE1-NZ 3.22Å; E247-K316 WeakPolarHBondContact OE2-CE 3.24Å; E247-K316 IonicContact OE2-NZ 3.49Å
248	R	88.3	Confident	92.3	Very high	30 Å²	30	45.3 Å²	45.3	11%	0.113	22%	0.223	C	C	.	.			trans	-67	140.2	171.1	-167.6	177.3	-95.2	138.6	-2.7	109.8	N239 N241 F286 E289 K310 S314	N239-R248 WeakPolarHBondContact OD1-CG 3.33Å; N241-R248 PolarHBondContact ND2-O 3.07Å; R248-F286 VanDerWaalsContact CA-CE2 3.46Å; R248-F286 HydrophobicContact CB-CE1 4.38Å; R248-F286 HydrophobicContact CB-CE2 3.81Å; R248-F286 HydrophobicContact CB-CZ 3.54Å; R248-F286 HydrophobicContact CG-CE2 4.12Å; R248-F286 HydrophobicContact CG-CZ 4.05Å; R248-E289 IonicContact NE-OE2 3.95Å; R248-E289 IonicContact NH2-OE1 3.69Å; R248-E289 PolarHBondContact NH2-OE1 3.34Å; R248-E289 IonicContact NH2-OE2 3.82Å; R248-E289 PolarHBondContact NH2-OE2 3.23Å; R248-K310 VanDerWaalsContact CD-O 3.32Å; R248-K310 WeakPolarHBondContact CD-O 3.29Å; R248-S314 PolarHBondContact NH1-OG 2.81Å
249	G	91.1	Very high	92.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.			trans	-132	-131.3	174.5	0	0	0	0	0	110.9	N239 Y240 G312	N239-G249 PolarHBondContact ND2-O 3.28Å; N239-G249 PolarHBondContact OD1-N 3.38Å; Y240-G249 CarbonylContact O-C 3.58Å; Y240-G249 WeakPolarHBondContact O-CA 3.27Å; G249-G312 PolarHBondContact O-N 3.4Å
250	F	93.1	Very high	92.1	Very high	57 Å²	57	54.3 Å²	54.3	25%	0.25	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	175.4	-175.9	-56.2	-78.9	0	0	0	111.8	M161 A163 F165 N239 Y240 Y252	M161-F250 HydrophobicContact CE-CB 4.01Å; M161-F250 HydrophobicContact CE-CD1 3.99Å; M161-F250 HydrophobicContact CE-CD2 3.33Å; M161-F250 HydrophobicContact CE-CE1 4.3Å; M161-F250 HydrophobicContact CE-CE2 3.68Å; M161-F250 HydrophobicContact CE-CG 3.49Å; M161-F250 VanDerWaalsContact CE-CG 3.49Å; M161-F250 HydrophobicContact CE-CZ 4.16Å; A163-F250 HydrophobicContact CB-CB 3.84Å; F165-F250 AromaticContact CE1-CD1 3.84Å; F165-F250 HydrophobicContact CE1-CD1 3.84Å; F165-F250 HydrophobicContact CE1-CE1 4.08Å; F165-F250 AromaticContact CZ-CD1 3.93Å; F165-F250 HydrophobicContact CZ-CD1 3.93Å; F165-F250 HydrophobicContact CZ-CE1 4.24Å; N239-F250 CarbonylContact C-O 3.49Å; N239-F250 VanDerWaalsContact CA-O 3.3Å; N239-F250 WeakPolarHBondContact CA-O 3.32Å; Y240-F250 PolarHBondContact N-O 3.37Å; Y240-F250 PolarHBondContact O-N 3.06Å; F250-Y252 HydrophobicContact CB-CE2 3.75Å; F250-Y252 VanDerWaalsContact O-CD2 3.32Å; F250-Y252 WeakPolarHBondContact O-CD2 3.37Å
251	W	95.3	Very high	92	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.1	-176.1	-60.5	93.6	0	0	0	110.5	A163 W164 M237 L238 N239 E289 F291 R309 K310 S311	A163-W251 CarbonylContact C-O 3.48Å; A163-W251 VanDerWaalsContact CA-O 3.27Å; A163-W251 WeakPolarHBondContact CA-O 3.39Å; W164-W251 PolarHBondContact N-O 3.08Å; M237-W251 HydrophobicContact CE-CE3 4.26Å; M237-W251 HydrophobicContact CG-CB 4.16Å; M237-W251 HydrophobicContact CG-CE3 4.48Å; M237-W251 HydrophobicContact SD-CB 3.99Å; L238-W251 WeakPolarHBondContact O-CA 3.37Å; N239-W251 HydrophobicContact CB-CD2 4.49Å; N239-W251 HydrophobicContact CB-CE3 4.21Å; N239-W251 HydrophobicContact CB-CH2 4.05Å; N239-W251 HydrophobicContact CB-CZ2 4.32Å; N239-W251 HydrophobicContact CB-CZ3 4Å; W251-E289 HydrophobicContact CH2-CB 4.14Å; W251-E289 WeakPolarHBondContact CZ3-O 3.44Å; W251-F291 HydrophobicContact CE3-CD2 4.11Å; W251-F291 HydrophobicContact CE3-CE2 4.41Å; W251-F291 HydrophobicContact CH2-CD2 4.09Å; W251-F291 AromaticContact CH2-CE2 3.66Å; W251-F291 HydrophobicContact CH2-CE2 3.66Å; W251-F291 AromaticContact CZ3-CD2 3.5Å; W251-F291 HydrophobicContact CZ3-CD2 3.5Å; W251-F291 AromaticContact CZ3-CE2 3.59Å; W251-F291 HydrophobicContact CZ3-CE2 3.59Å; W251-R309 HydrophobicContact CH2-CB 4.33Å; W251-R309 HydrophobicContact CZ2-CB 3.49Å; W251-R309 VanDerWaalsContact CZ2-CB 3.49Å; W251-R309 HydrophobicContact CZ2-CG 4.19Å; W251-K310 WeakPolarHBondContact CZ2-O 3.47Å; W251-S311 PolarHBondContact NE1-OG 3.03Å; W251-S311 VanDerWaalsContact NE1-OG 3.11Å
252	Y	96	Very high	92	Very high	8 Å²	8	61 Å²	61	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.7	-177.7	-62.6	-83	0	0	0	110.8	M161 A163 M237 L238 Y240 P242 F250 V272 L274	M161-Y252 WeakPolarHBondContact O-CE1 3.4Å; A163-Y252 HydrophobicContact CB-CD1 4.09Å; A163-Y252 HydrophobicContact CB-CE1 3.61Å; M237-Y252 CarbonylContact C-O 3.52Å; M237-Y252 WeakPolarHBondContact CA-O 3.18Å; L238-Y252 PolarHBondContact N-O 3.11Å; L238-Y252 PolarHBondContact O-N 2.68Å; Y240-Y252 VanDerWaalsContact O-CE2 3.28Å; Y240-Y252 WeakPolarHBondContact O-CE2 3.49Å; P242-Y252 HydrophobicContact CG-CE2 4.41Å; F250-Y252 HydrophobicContact CB-CE2 3.75Å; F250-Y252 VanDerWaalsContact O-CD2 3.32Å; F250-Y252 WeakPolarHBondContact O-CD2 3.37Å; Y252-V272 HydrophobicContact CD1-CG1 4.34Å; Y252-V272 HydrophobicContact CD2-CG1 4.21Å; Y252-V272 HydrophobicContact CG-CG1 3.77Å; Y252-L274 HydrophobicContact CD1-CD2 3.52Å; Y252-L274 HydrophobicContact CE1-CD2 3.26Å; Y252-L274 HydrophobicContact CG-CD2 4.26Å
253	D	96.3	Very high	92	Very high	25 Å²	25	70.7 Å²	70.7	13%	0.134	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.8	164.9	-69.4	-16.6	0	0	0	109.1	W164 R218 V236 V273 I293	W164-D253 PolarHBondContact NE1-OD1 3.29Å; W164-D253 PolarHBondContact NE1-OD2 3.21Å; R218-D253 IonicContact CZ-OD1 3.71Å; R218-D253 VanDerWaalsContact CZ-OD1 3.26Å; R218-D253 IonicContact CZ-OD2 3.89Å; R218-D253 VanDerWaalsContact NH1-CG 3.32Å; R218-D253 IonicContact NH1-OD1 2.85Å; R218-D253 PolarHBondContact NH1-OD1 2.81Å; R218-D253 IonicContact NH1-OD2 2.85Å; R218-D253 PolarHBondContact NH1-OD2 2.94Å; R218-D253 IonicContact NH2-OD1 2.66Å; R218-D253 PolarHBondContact NH2-OD1 2.76Å; R218-D253 IonicContact NH2-OD2 2.71Å; V236-D253 WeakPolarHBondContact O-CA 3.28Å; D253-V273 PolarHBondContact O-N 2.87Å; D253-I293 HydrophobicContact CB-CD1 4.33Å; D253-I293 WeakPolarHBondContact OD1-CD1 3.49Å
254	A	96.4	Very high	92	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.8	-179.5	0	0	0	0	0	111.8	V235 V236 L238 A270 N271 V272	V235-A254 WeakPolarHBondContact CA-O 3.33Å; V236-A254 PolarHBondContact N-O 3.4Å; V236-A254 PolarHBondContact O-N 2.77Å; L238-A254 HydrophobicContact CD1-CB 4.02Å; L238-A254 HydrophobicContact CD2-CB 3.69Å; L238-A254 HydrophobicContact CG-CB 3.77Å; A254-A270 HydrophobicContact CB-CB 3.82Å; A254-N271 CarbonylContact C-O 3.43Å; A254-N271 WeakPolarHBondContact CA-O 3.31Å; A254-N271 WeakPolarHBondContact CB-O 3.48Å; A254-V272 HydrophobicContact CB-CG2 4.07Å
255	E	96.8	Very high	92.1	Very high	89 Å²	89	66.5 Å²	66.5	42%	0.416	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.6	172.3	-173.8	-172	-177.6	0	0	109.8	V235 S257 A270 N271	V235-E255 HydrophobicContact CG2-CB 4.45Å; V235-E255 HydrophobicContact CG2-CG 4.45Å; E255-S257 PolarHBondContact O-N 2.88Å; E255-S257 VanDerWaalsContact O-N 3.16Å; E255-A270 CarbonylContact O-C 3.41Å; E255-A270 WeakPolarHBondContact O-CA 3.31Å; E255-A270 WeakPolarHBondContact O-CB 3.44Å; E255-N271 PolarHBondContact N-O 2.91Å; E255-N271 PolarHBondContact O-N 2.83Å
256	I	97.1	Very high	92.4	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.7	-180	-61.8	175.5	0	0	0	109.6	L230 E231 V232 G233 Q234 V236 L268	L230-I256 HydrophobicContact CB-CD1 4.05Å; L230-I256 HydrophobicContact CD2-CD1 3.74Å; L230-I256 HydrophobicContact CG-CD1 4.37Å; E231-I256 WeakPolarHBondContact O-CB 3.34Å; V232-I256 CarbonylContact C-O 3.52Å; V232-I256 HydrophobicContact CG2-CG2 4.41Å; G233-I256 PolarHBondContact N-O 3.41Å; Q234-I256 HydrophobicContact CB-CD1 4.32Å; Q234-I256 PolarHBondContact O-N 3.46Å; V236-I256 HydrophobicContact CG1-CD1 4.21Å; V236-I256 HydrophobicContact CG2-CD1 4.08Å; V236-I256 HydrophobicContact CG2-CG1 3.99Å; I256-L268 HydrophobicContact CD1-CD1 4.38Å; I256-L268 HydrophobicContact CG1-CD1 4.44Å; I256-L268 HydrophobicContact CG2-CD1 3.71Å
257	S	95.7	Very high	92.7	Very high	39 Å²	39	61.7 Å²	61.7	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-34.3	-176.6	62.8	0	0	0	0	112.6	V232 E255 Y269	V232-S257 WeakPolarHBondContact CG1-O 3.19Å; E255-S257 PolarHBondContact O-N 2.88Å; E255-S257 VanDerWaalsContact O-N 3.16Å; S257-Y269 PolarHBondContact N-O 3.11Å; S257-Y269 PolarHBondContact OG-O 2.84Å
258	R	95.5	Very high	93.2	Very high	105 Å²	105	58.9 Å²	58.9	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	135	-179.5	177.8	177.1	65.2	-142.8	-9	111.6	Y269 D281	R258-Y269 HydrophobicContact CB-CD2 4.2Å; R258-Y269 HydrophobicContact CB-CG 4.45Å; R258-Y269 HydrophobicContact CG-CD2 4.22Å; R258-Y269 PolarHBondContact N-O 2.81Å; R258-Y269 VanDerWaalsContact N-O 3.14Å; R258-Y269 VanDerWaalsContact NE-CD2 3.31Å; R258-Y269 PolarHBondContact O-N 3.39Å; R258-D281 IonicContact CZ-OD1 3.15Å; R258-D281 IonicContact NH1-OD1 3.22Å; R258-D281 IonicContact NH1-OD2 3.95Å; R258-D281 IonicContact NH2-OD1 3.03Å; R258-D281 PolarHBondContact NH2-OD1 3.47Å; R258-D281 IonicContact NH2-OD2 2.67Å; R258-D281 PolarHBondContact NH2-OD2 2.96Å
259	K	95.2	Very high	93.6	Very high	65 Å²	65	59.3 Å²	59.3	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.5	174.5	-174.6	-176	177.9	-175.7	0	109	W227 L230 V232 L268	W227-K259 VanDerWaalsContact CE2-CE 3.49Å; W227-K259 HydrophobicContact CH2-CD 4.39Å; W227-K259 HydrophobicContact CH2-CG 3.54Å; W227-K259 HydrophobicContact CZ2-CD 4.23Å; W227-K259 HydrophobicContact CZ2-CG 3.63Å; W227-K259 HydrophobicContact CZ3-CG 4.22Å; W227-K259 WeakPolarHBondContact O-CE 3.44Å; W227-K259 PolarHBondContact O-NZ 2.93Å; L230-K259 WeakPolarHBondContact O-CD 3.42Å; L230-K259 PolarHBondContact O-NZ 2.94Å; V232-K259 HydrophobicContact CG2-CB 4.37Å; K259-L268 HydrophobicContact CB-CD1 4.42Å; K259-L268 HydrophobicContact CG-CD1 4.47Å
260	R	92.6	Very high	93.9	Very high	126 Å²	126	59.3 Å²	59.3	48%	0.475	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.6	179.1	178.1	170.9	177.9	-94.5	-1	110.4	E267	R260-E267 HydrophobicContact CB-CB 4.22Å; R260-E267 WeakPolarHBondContact CD-OE2 3.35Å; R260-E267 IonicContact CZ-OE2 3.85Å; R260-E267 PolarHBondContact N-O 2.63Å; R260-E267 IonicContact NE-OE2 2.81Å; R260-E267 VanDerWaalsContact NH1-CD 3.31Å; R260-E267 IonicContact NH1-OE1 2.66Å; R260-E267 PolarHBondContact NH1-OE1 3.28Å; R260-E267 IonicContact NH1-OE2 3.57Å; R260-E267 PolarHBondContact NH1-OE2 3.48Å; R260-E267 PolarHBondContact O-N 2.64Å
261	E	93	Very high	94	Very high	127 Å²	127	58.3 Å²	58.3	59%	0.593	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.1	178.8	-168	162.9	-172.8	0	0	110.3	W227 R266	W227-E261 HydrophobicContact CZ2-CB 4.12Å; W227-E261 PolarHBondContact NE1-OE2 3.08Å; E261-R266 HydrophobicContact CG-CG 4.22Å
262	T	90.6	Very high	94	Very high	45 Å²	45	58.2 Å²	58.2	28%	0.276	27%	0.268	S	S	.	.			trans	-128.9	168.8	174.3	66.6	0	0	0	0	108.9	T264 A265	T262-T264 PolarHBondContact O-N 3.02Å; T262-A265 PolarHBondContact N-O 3.29Å; T262-A265 PolarHBondContact O-N 3.15Å; T262-A265 PolarHBondContact OG1-N 3.09Å; T262-A265 PolarHBondContact OG1-O 2.99Å
263	R	86.9	Confident	93.8	Very high	241 Å²	241	60.2 Å²	60.2	91%	0.909	28%	0.281	S	S	*	.	S	Bend	trans	-54.4	-26.5	177.7	-166.2	-175.9	69.7	87.2	0.1	113.8
264	T	85.3	Confident	93.3	Very high	117 Å²	117	61.1 Å²	61.1	72%	0.718	29%	0.286	S	S	*	.	S	Bend	trans	-117.5	-10.7	-172.9	51.6	0	0	0	0	114.3	T262	T262-T264 PolarHBondContact O-N 3.02Å
265	A	87.8	Confident	92.5	Very high	32 Å²	32	62.2 Å²	62.2	26%	0.264	30%	0.297	S	S	.	.			trans	-152.6	140.4	-173.6	0	0	0	0	0	112.7	T262	T262-A265 PolarHBondContact N-O 3.29Å; T262-A265 PolarHBondContact O-N 3.15Å; T262-A265 PolarHBondContact OG1-N 3.09Å; T262-A265 PolarHBondContact OG1-O 2.99Å
266	R	93.9	Very high	91.4	Very high	91 Å²	91	66.2 Å²	66.2	34%	0.343	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119	165.6	-70.2	176.5	-66.5	157.4	5.3	107.6	W227 E261 V287 D288	W227-R266 HydrophobicContact CD2-CB 4.27Å; W227-R266 HydrophobicContact CD2-CG 4.12Å; W227-R266 HydrophobicContact CE3-CB 4.16Å; W227-R266 HydrophobicContact CE3-CG 4.5Å; W227-R266 HydrophobicContact CH2-CB 3.73Å; W227-R266 HydrophobicContact CH2-CG 4.32Å; W227-R266 HydrophobicContact CZ2-CB 3.85Å; W227-R266 HydrophobicContact CZ2-CG 3.93Å; W227-R266 HydrophobicContact CZ3-CB 3.88Å; E261-R266 HydrophobicContact CG-CG 4.22Å; R266-V287 HydrophobicContact CB-CG2 4.32Å; R266-D288 IonicContact CZ-OD1 2.71Å; R266-D288 IonicContact CZ-OD2 3.71Å; R266-D288 IonicContact NH1-OD1 3.48Å; R266-D288 PolarHBondContact NH1-OD1 3.25Å; R266-D288 IonicContact NH1-OD2 3.99Å; R266-D288 VanDerWaalsContact NH2-CG 3.34Å; R266-D288 IonicContact NH2-OD1 3.93Å; R266-D288 PolarHBondContact NH2-OD1 3.25Å; R266-D288 VanDerWaalsContact NH2-OD1 3.11Å; R266-D288 IonicContact NH2-OD2 3.96Å; R266-D288 PolarHBondContact NH2-OD2 3.26Å
267	E	94.6	Very high	90.4	Very high	35 Å²	35	72.4 Å²	72.4	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.6	-177.1	-65.5	171	177.1	0	0	108.8	R260 Y269	R260-E267 HydrophobicContact CB-CB 4.22Å; R260-E267 WeakPolarHBondContact CD-OE2 3.35Å; R260-E267 IonicContact CZ-OE2 3.85Å; R260-E267 PolarHBondContact N-O 2.63Å; R260-E267 IonicContact NE-OE2 2.81Å; R260-E267 VanDerWaalsContact NH1-CD 3.31Å; R260-E267 IonicContact NH1-OE1 2.66Å; R260-E267 PolarHBondContact NH1-OE1 3.28Å; R260-E267 IonicContact NH1-OE2 3.57Å; R260-E267 PolarHBondContact NH1-OE2 3.48Å; R260-E267 PolarHBondContact O-N 2.64Å; E267-Y269 HydrophobicContact CB-CE2 3.93Å
268	L	96.1	Very high	90	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.3	174	-170	65.3	0	0	0	109	W227 L230 I256 K259 I284 V287 V290	W227-L268 HydrophobicContact CZ3-CB 4.1Å; W227-L268 HydrophobicContact CZ3-CD1 4.4Å; L230-L268 HydrophobicContact CD1-CD1 4.46Å; L230-L268 HydrophobicContact CD1-CD2 4.08Å; I256-L268 HydrophobicContact CD1-CD1 4.38Å; I256-L268 HydrophobicContact CG1-CD1 4.44Å; I256-L268 HydrophobicContact CG2-CD1 3.71Å; K259-L268 HydrophobicContact CB-CD1 4.42Å; K259-L268 HydrophobicContact CG-CD1 4.47Å; L268-I284 HydrophobicContact CB-CB 4.14Å; L268-I284 HydrophobicContact CD2-CB 4.17Å; L268-I284 HydrophobicContact CD2-CG1 4.41Å; L268-I284 HydrophobicContact CD2-CG2 4.31Å; L268-I284 HydrophobicContact CG-CB 4.32Å; L268-I284 HydrophobicContact CG-CG1 4.38Å; L268-I284 PolarHBondContact O-N 3.45Å; L268-V287 HydrophobicContact CB-CG1 3.78Å; L268-V290 HydrophobicContact CD2-CG2 4.08Å
269	Y	96.7	Very high	89.7	Confident	40 Å²	40	72 Å²	72	16%	0.157	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.6	172.1	-60.5	-98.7	0	0	0	108.8	S257 R258 E267 D281 C282 R283	S257-Y269 PolarHBondContact N-O 3.11Å; S257-Y269 PolarHBondContact OG-O 2.84Å; R258-Y269 HydrophobicContact CB-CD2 4.2Å; R258-Y269 HydrophobicContact CB-CG 4.45Å; R258-Y269 HydrophobicContact CG-CD2 4.22Å; R258-Y269 PolarHBondContact N-O 2.81Å; R258-Y269 VanDerWaalsContact N-O 3.14Å; R258-Y269 VanDerWaalsContact NE-CD2 3.31Å; R258-Y269 PolarHBondContact O-N 3.39Å; E267-Y269 HydrophobicContact CB-CE2 3.93Å; Y269-D281 WeakPolarHBondContact CD1-OD1 3.2Å; Y269-C282 CarbonylContact C-O 3.56Å; Y269-C282 WeakPolarHBondContact CA-O 3.34Å; Y269-R283 HydrophobicContact CD1-CB 4.08Å; Y269-R283 HydrophobicContact CE1-CB 3.82Å; Y269-R283 HydrophobicContact CE1-CG 4.15Å
270	A	96.7	Very high	89.6	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.2	179.8	0	0	0	0	0	111	L238 A254 E255 C282 I284	L238-A270 HydrophobicContact CD2-CB 3.94Å; A254-A270 HydrophobicContact CB-CB 3.82Å; E255-A270 CarbonylContact O-C 3.41Å; E255-A270 WeakPolarHBondContact O-CA 3.31Å; E255-A270 WeakPolarHBondContact O-CB 3.44Å; A270-C282 PolarHBondContact N-O 3.46Å; A270-C282 VanDerWaalsContact O-CB 3.3Å; A270-C282 WeakPolarHBondContact O-CB 3.42Å; A270-C282 PolarHBondContact O-N 2.94Å; A270-I284 HydrophobicContact CB-CD1 4.27Å; A270-I284 HydrophobicContact CB-CG1 4.04Å
271	N	95.9	Very high	89.5	Confident	36 Å²	36	72.2 Å²	72.2	19%	0.193	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.7	171.4	-55.8	-30.7	0	0	0	107.6	A254 E255 L279 N280 D281	A254-N271 CarbonylContact C-O 3.43Å; A254-N271 WeakPolarHBondContact CA-O 3.31Å; A254-N271 WeakPolarHBondContact CB-O 3.48Å; E255-N271 PolarHBondContact N-O 2.91Å; E255-N271 PolarHBondContact O-N 2.83Å; N271-L279 CarbonylContact C-O 3.59Å; N271-L279 VanDerWaalsContact CA-O 3.26Å; N271-L279 WeakPolarHBondContact CA-O 3.49Å; N271-N280 WeakPolarHBondContact OD1-CA 3.3Å; N271-D281 PolarHBondContact OD1-N 3.43Å; N271-D281 VanDerWaalsContact OD1-N 3.11Å
272	V	95.2	Very high	89.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128	-173.7	179.8	0	0	0	0	109.9	L238 Y240 Y252 A254 L274 S278 L279 C282 I284	L238-V272 HydrophobicContact CD1-CG2 4.32Å; Y240-V272 HydrophobicContact CD1-CB 4.38Å; Y240-V272 HydrophobicContact CD1-CG1 4.16Å; Y240-V272 HydrophobicContact CD1-CG2 4Å; Y240-V272 HydrophobicContact CE1-CG2 4.5Å; Y240-V272 HydrophobicContact CG-CG2 4.07Å; Y252-V272 HydrophobicContact CD1-CG1 4.34Å; Y252-V272 HydrophobicContact CD2-CG1 4.21Å; Y252-V272 HydrophobicContact CG-CG1 3.77Å; A254-V272 HydrophobicContact CB-CG2 4.07Å; V272-L274 HydrophobicContact CG1-CD2 4.16Å; V272-S278 CarbonylContact O-C 3.48Å; V272-S278 WeakPolarHBondContact O-CA 3.41Å; V272-L279 HydrophobicContact CB-CB 4.48Å; V272-L279 PolarHBondContact N-O 3.23Å; V272-L279 PolarHBondContact O-N 2.93Å; V272-C282 HydrophobicContact CG2-CB 3.77Å; V272-I284 HydrophobicContact CG2-CD1 4.25Å
273	V	91.6	Very high	89.8	Confident	51 Å²	51	69.6 Å²	69.6	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.4	180	-175	0	0	0	0	109.7	D253	D253-V273 PolarHBondContact O-N 2.87Å
274	L	86.8	Confident	90.2	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.225	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	90.3	177.7	-63.2	-172.2	0	0	0	109.4	P242 Y252 V272 D276 D277 L279	P242-L274 HydrophobicContact CB-CD1 4.21Å; P242-L274 HydrophobicContact CG-CD1 4Å; P242-L274 HydrophobicContact CG-CD2 3.92Å; Y252-L274 HydrophobicContact CD1-CD2 3.52Å; Y252-L274 HydrophobicContact CE1-CD2 3.26Å; Y252-L274 HydrophobicContact CG-CD2 4.26Å; V272-L274 HydrophobicContact CG1-CD2 4.16Å; L274-D276 PolarHBondContact O-N 3.09Å; L274-D276 VanDerWaalsContact O-N 3.08Å; L274-D277 CarbonylContact C-O 3.57Å; L274-D277 PolarHBondContact N-O 3.25Å; L274-D277 PolarHBondContact O-N 3.29Å; L274-L279 HydrophobicContact CD1-CD1 3.27Å; L274-L279 HydrophobicContact CD1-CG 3.97Å; L274-L279 HydrophobicContact CG-CD1 4.04Å
275	G	78.5	Confident	90.6	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-114.6	-178.1	0	0	0	0	0	111
276	D	73.6	Confident	90.8	Very high	174 Å²	174	56.2 Å²	56.2	93%	0.93	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.6	-179.8	-63.8	-21.8	0	0	0	113.8	L274	L274-D276 PolarHBondContact O-N 3.09Å; L274-D276 VanDerWaalsContact O-N 3.08Å
277	D	77.4	Confident	90.8	Very high	131 Å²	131	52.4 Å²	52.4	70%	0.701	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	163.4	-177.7	-77.9	-35	0	0	0	111.8	L274	L274-D277 CarbonylContact C-O 3.57Å; L274-D277 PolarHBondContact N-O 3.25Å; L274-D277 PolarHBondContact O-N 3.29Å
278	S	85.8	Confident	90.7	Very high	67 Å²	67	55.1 Å²	55.1	47%	0.469	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.4	176.6	-63.3	0	0	0	0	111.8	V272	V272-S278 CarbonylContact O-C 3.48Å; V272-S278 WeakPolarHBondContact O-CA 3.41Å
279	L	89.9	Confident	90.6	Very high	68 Å²	68	57.3 Å²	57.3	36%	0.356	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113	172	-81.8	166.2	0	0	0	109.8	Y240 P242 N271 V272 L274 C282	Y240-L279 HydrophobicContact CE1-CD1 4.34Å; P242-L279 HydrophobicContact CB-CD1 4.13Å; N271-L279 CarbonylContact C-O 3.59Å; N271-L279 VanDerWaalsContact CA-O 3.26Å; N271-L279 WeakPolarHBondContact CA-O 3.49Å; V272-L279 HydrophobicContact CB-CB 4.48Å; V272-L279 PolarHBondContact N-O 3.23Å; V272-L279 PolarHBondContact O-N 2.93Å; L274-L279 HydrophobicContact CD1-CD1 3.27Å; L274-L279 HydrophobicContact CD1-CG 3.97Å; L274-L279 HydrophobicContact CG-CD1 4.04Å; L279-C282 VanDerWaalsContact CB-SG 3.54Å; L279-C282 PolarHBondContact O-SG 3.3Å; L279-C282 VanDerWaalsContact O-SG 3.38Å
280	N	92.4	Very high	90.5	Very high	115 Å²	115	55.4 Å²	55.4	62%	0.615	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.7	-176.6	-59.5	-46.7	0	0	0	112.6	N271 C282	N271-N280 WeakPolarHBondContact OD1-CA 3.3Å; N280-C282 VanDerWaalsContact C-N 3.32Å; N280-C282 PolarHBondContact O-N 3.46Å
281	D	91.3	Very high	90.5	Very high	81 Å²	81	56.4 Å²	56.4	43%	0.433	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.3	36.6	176.7	-156.3	33.8	0	0	0	114.7	R258 Y269 N271 R283	R258-D281 IonicContact CZ-OD1 3.15Å; R258-D281 IonicContact NH1-OD1 3.22Å; R258-D281 IonicContact NH1-OD2 3.95Å; R258-D281 IonicContact NH2-OD1 3.03Å; R258-D281 PolarHBondContact NH2-OD1 3.47Å; R258-D281 IonicContact NH2-OD2 2.67Å; R258-D281 PolarHBondContact NH2-OD2 2.96Å; Y269-D281 WeakPolarHBondContact CD1-OD1 3.2Å; N271-D281 PolarHBondContact OD1-N 3.43Å; N271-D281 VanDerWaalsContact OD1-N 3.11Å; D281-R283 PolarHBondContact O-N 2.82Å
282	C	93.5	Very high	90.4	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	176.5	-65.9	0	0	0	0	111.5	Y240 Y269 A270 V272 L279 N280 I284	Y240-C282 HydrophobicContact CD2-CB 4.35Å; Y240-C282 HydrophobicContact CE1-CB 4.16Å; Y240-C282 HydrophobicContact CE2-CB 3.75Å; Y269-C282 CarbonylContact C-O 3.56Å; Y269-C282 WeakPolarHBondContact CA-O 3.34Å; A270-C282 PolarHBondContact N-O 3.46Å; A270-C282 VanDerWaalsContact O-CB 3.3Å; A270-C282 WeakPolarHBondContact O-CB 3.42Å; A270-C282 PolarHBondContact O-N 2.94Å; V272-C282 HydrophobicContact CG2-CB 3.77Å; L279-C282 VanDerWaalsContact CB-SG 3.54Å; L279-C282 PolarHBondContact O-SG 3.3Å; L279-C282 VanDerWaalsContact O-SG 3.38Å; N280-C282 VanDerWaalsContact C-N 3.32Å; N280-C282 PolarHBondContact O-N 3.46Å; C282-I284 HydrophobicContact CB-CD1 4.2Å; C282-I284 PolarHBondContact O-N 3.15Å
283	R	95.7	Very high	90.4	Very high	110 Å²	110	60 Å²	60	42%	0.415	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.6	174.9	-177.1	172.8	-178.1	-95.9	-0.7	110.7	Y269 D281	Y269-R283 HydrophobicContact CD1-CB 4.08Å; Y269-R283 HydrophobicContact CE1-CB 3.82Å; Y269-R283 HydrophobicContact CE1-CG 4.15Å; D281-R283 PolarHBondContact O-N 2.82Å
284	I	95.8	Very high	90.3	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.7	-177.9	-48.2	-53.2	0	0	0	109.9	L238 Y240 L268 A270 V272 C282	L238-I284 HydrophobicContact CD1-CD1 3.64Å; L238-I284 HydrophobicContact CD1-CG1 4.29Å; L238-I284 HydrophobicContact CD1-CG2 4.38Å; L238-I284 HydrophobicContact CD2-CD1 4.02Å; L238-I284 HydrophobicContact CD2-CG1 3.82Å; L238-I284 HydrophobicContact CD2-CG2 4.21Å; Y240-I284 HydrophobicContact CD2-CD1 3.88Å; Y240-I284 HydrophobicContact CE2-CD1 4.46Å; Y240-I284 HydrophobicContact CG-CD1 4.48Å; L268-I284 HydrophobicContact CB-CB 4.14Å; L268-I284 HydrophobicContact CD2-CB 4.17Å; L268-I284 HydrophobicContact CD2-CG1 4.41Å; L268-I284 HydrophobicContact CD2-CG2 4.31Å; L268-I284 HydrophobicContact CG-CB 4.32Å; L268-I284 HydrophobicContact CG-CG1 4.38Å; L268-I284 PolarHBondContact O-N 3.45Å; A270-I284 HydrophobicContact CB-CD1 4.27Å; A270-I284 HydrophobicContact CB-CG1 4.04Å; V272-I284 HydrophobicContact CG2-CD1 4.25Å; C282-I284 HydrophobicContact CB-CD1 4.2Å; C282-I284 PolarHBondContact O-N 3.15Å
285	I	93.6	Very high	90.1	Very high	62 Å²	62	63.6 Å²	63.6	32%	0.318	32%	0.322	S	S	.	.	S	Bend	trans	-86.2	-41.9	-177.1	-57.3	-59.8	0	0	0	111.5	P245 V287	P245-I285 WeakPolarHBondContact O-CG1 3.32Å; I285-V287 VanDerWaalsContact C-N 3.3Å; I285-V287 PolarHBondContact O-N 3.22Å; I285-V287 VanDerWaalsContact O-N 3.07Å
286	F	92.9	Very high	90.2	Very high	44 Å²	44	66.5 Å²	66.5	19%	0.193	34%	0.336	C	S	.	.			trans	-89.1	62.7	-173.8	-56.3	-82.4	0	0	0	111.6	N239 R248 D288 E289	N239-F286 HydrophobicContact CB-CD2 4.19Å; R248-F286 VanDerWaalsContact CA-CE2 3.46Å; R248-F286 HydrophobicContact CB-CE1 4.38Å; R248-F286 HydrophobicContact CB-CE2 3.81Å; R248-F286 HydrophobicContact CB-CZ 3.54Å; R248-F286 HydrophobicContact CG-CE2 4.12Å; R248-F286 HydrophobicContact CG-CZ 4.05Å; F286-D288 PolarHBondContact O-N 3.08Å; F286-D288 VanDerWaalsContact O-N 3.15Å; F286-E289 HydrophobicContact CB-CB 4.18Å; F286-E289 PolarHBondContact O-N 3.13Å; F286-E289 VanDerWaalsContact O-N 3.07Å
287	V	93.4	Very high	90	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.5	-175.3	-59.3	0	0	0	0	114.7	W227 R266 L268 I285	W227-V287 HydrophobicContact CE3-CB 4.13Å; W227-V287 HydrophobicContact CZ3-CB 4.18Å; W227-V287 HydrophobicContact CZ3-CG1 4.17Å; R266-V287 HydrophobicContact CB-CG2 4.32Å; L268-V287 HydrophobicContact CB-CG1 3.78Å; I285-V287 VanDerWaalsContact C-N 3.3Å; I285-V287 PolarHBondContact O-N 3.22Å; I285-V287 VanDerWaalsContact O-N 3.07Å
288	D	92.1	Very high	89.6	Confident	92 Å²	92	60.1 Å²	60.1	49%	0.492	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.5	177.5	-63.4	-46.3	0	0	0	112.8	I224 R266 F286	I224-D288 WeakPolarHBondContact CG2-O 3.45Å; R266-D288 IonicContact CZ-OD1 2.71Å; R266-D288 IonicContact CZ-OD2 3.71Å; R266-D288 IonicContact NH1-OD1 3.48Å; R266-D288 PolarHBondContact NH1-OD1 3.25Å; R266-D288 IonicContact NH1-OD2 3.99Å; R266-D288 VanDerWaalsContact NH2-CG 3.34Å; R266-D288 IonicContact NH2-OD1 3.93Å; R266-D288 PolarHBondContact NH2-OD1 3.25Å; R266-D288 VanDerWaalsContact NH2-OD1 3.11Å; R266-D288 IonicContact NH2-OD2 3.96Å; R266-D288 PolarHBondContact NH2-OD2 3.26Å; F286-D288 PolarHBondContact O-N 3.08Å; F286-D288 VanDerWaalsContact O-N 3.15Å
289	E	93.6	Very high	88.7	Confident	47 Å²	47	60.2 Å²	60.2	22%	0.22	33%	0.329	C	S	.	.			trans	-119.5	43.6	-178.2	-58.8	177.9	-159.3	0	0	110.2	R248 W251 F286	R248-E289 IonicContact NE-OE2 3.95Å; R248-E289 IonicContact NH2-OE1 3.69Å; R248-E289 PolarHBondContact NH2-OE1 3.34Å; R248-E289 IonicContact NH2-OE2 3.82Å; R248-E289 PolarHBondContact NH2-OE2 3.23Å; W251-E289 HydrophobicContact CH2-CB 4.14Å; W251-E289 WeakPolarHBondContact CZ3-O 3.44Å; F286-E289 HydrophobicContact CB-CB 4.18Å; F286-E289 PolarHBondContact O-N 3.13Å; F286-E289 VanDerWaalsContact O-N 3.07Å
290	V	95.8	Very high	88	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-96.9	122.4	176.4	-177.8	0	0	0	0	109.3	I224 I225 L230 V236 L238 L268	I224-V290 CarbonylContact C-O 3.55Å; I224-V290 WeakPolarHBondContact CA-O 3.45Å; I225-V290 PolarHBondContact N-O 3.44Å; L230-V290 HydrophobicContact CD1-CB 4.49Å; L230-V290 HydrophobicContact CD1-CG2 4.21Å; L230-V290 HydrophobicContact CD2-CB 4.13Å; L230-V290 HydrophobicContact CD2-CG1 3.66Å; V236-V290 HydrophobicContact CB-CG1 3.64Å; V236-V290 HydrophobicContact CG1-CG1 4.07Å; V236-V290 HydrophobicContact CG2-CG1 3.55Å; L238-V290 HydrophobicContact CB-CG2 4.41Å; L268-V290 HydrophobicContact CD2-CG2 4.08Å
291	F	95.8	Very high	87.3	Confident	21 Å²	21	59 Å²	59	9%	0.092	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-99.6	143.2	-177.3	-76.9	-92	0	0	0	112.3	A221 T223 I224 M237 W251 R309	A221-F291 HydrophobicContact CB-CB 4.12Å; A221-F291 HydrophobicContact CB-CD1 3.84Å; A221-F291 HydrophobicContact CB-CG 4.15Å; T223-F291 WeakPolarHBondContact O-CA 3.3Å; I224-F291 HydrophobicContact CD1-CE1 4.42Å; I224-F291 HydrophobicContact CD1-CZ 4.13Å; I224-F291 HydrophobicContact CG1-CD1 4.1Å; I224-F291 HydrophobicContact CG1-CE1 3.68Å; I224-F291 HydrophobicContact CG1-CE2 4.28Å; I224-F291 HydrophobicContact CG1-CZ 3.78Å; M237-F291 HydrophobicContact CB-CB 4.2Å; M237-F291 HydrophobicContact CE-CB 3.84Å; M237-F291 HydrophobicContact CE-CD2 4.24Å; M237-F291 HydrophobicContact CE-CG 4.04Å; M237-F291 PolarHBondContact N-O 3.33Å; M237-F291 PolarHBondContact O-N 3Å; W251-F291 HydrophobicContact CE3-CD2 4.11Å; W251-F291 HydrophobicContact CE3-CE2 4.41Å; W251-F291 HydrophobicContact CH2-CD2 4.09Å; W251-F291 AromaticContact CH2-CE2 3.66Å; W251-F291 HydrophobicContact CH2-CE2 3.66Å; W251-F291 AromaticContact CZ3-CD2 3.5Å; W251-F291 HydrophobicContact CZ3-CD2 3.5Å; W251-F291 AromaticContact CZ3-CE2 3.59Å; W251-F291 HydrophobicContact CZ3-CE2 3.59Å; F291-R309 HydrophobicContact CE2-CG 4.1Å; F291-R309 HydrophobicContact CZ-CG 3.92Å
292	K	94.8	Very high	86.6	Confident	72 Å²	72	56.2 Å²	56.2	31%	0.313	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-67.5	134.2	163.2	-174.9	-163.8	166.6	-146.5	0	108.9	T223 I225 E294	T223-K292 HydrophobicContact CG2-CB 4.47Å; T223-K292 PolarHBondContact O-N 3.18Å; I225-K292 HydrophobicContact CD1-CB 3.98Å; I225-K292 HydrophobicContact CG1-CB 3.99Å; K292-E294 IonicContact NZ-OE2 3.96Å; K292-E294 PolarHBondContact NZ-OE2 2.95Å; K292-E294 PolarHBondContact O-N 3.42Å
293	I	94	Very high	85.7	Confident	39 Å²	39	60.5 Å²	60.5	20%	0.2	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-76.1	118.7	167.4	-63.2	172.5	0	0	0	107.8	R218 V235 M237 D253	R218-I293 VanDerWaalsContact NH1-CG2 3.26Å; V235-I293 HydrophobicContact CG1-CD1 3.87Å; M237-I293 HydrophobicContact CB-CG1 4.1Å; D253-I293 HydrophobicContact CB-CD1 4.33Å; D253-I293 WeakPolarHBondContact OD1-CD1 3.49Å
294	E	90.5	Very high	84.8	Confident	11 Å²	11	61.6 Å²	61.6	5%	0.051	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74.8	130.6	177.4	-58.2	-57.7	166.2	0	0	109.9	A219 T223 K292	A219-E294 HydrophobicContact CB-CB 4.09Å; T223-E294 PolarHBondContact OG1-OE1 2.85Å; K292-E294 IonicContact NZ-OE2 3.96Å; K292-E294 PolarHBondContact NZ-OE2 2.95Å; K292-E294 PolarHBondContact O-N 3.42Å
295	R	82.4	Confident	83.7	Confident	159 Å²	159	66.8 Å²	66.8	60%	0.6	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-85.2	143.3	-178.1	-69.1	179.4	172.7	-167.6	-1.1	110	G297 E298	R295-G297 PolarHBondContact O-N 2.84Å; R295-E298 HydrophobicContact CB-CB 4.18Å; R295-E298 HydrophobicContact CB-CG 4.07Å; R295-E298 VanDerWaalsContact CD-OE1 3.3Å; R295-E298 WeakPolarHBondContact CD-OE1 3.43Å; R295-E298 WeakPolarHBondContact CD-OE2 3.32Å; R295-E298 IonicContact NH1-OE1 3.66Å; R295-E298 PolarHBondContact O-N 3.03Å
296	P	80.5	Confident	83	Confident	83 Å²	83	65 Å²	65	54%	0.539	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	126.8	175.5	-24.9	33.6	0	0	0	111.8	L147 E298	L147-P296 HydrophobicContact CD1-CB 4.18Å; P296-E298 VanDerWaalsContact C-N 3.3Å; P296-E298 PolarHBondContact O-N 2.98Å
297	G	69.1	Low	82.1	Confident	78 Å²	78	71.7 Å²	71.7	80%	0.804	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-6.2	179.9	0	0	0	0	0	116	R295	R295-G297 PolarHBondContact O-N 2.84Å
298	E	68.4	Low	81.6	Confident	94 Å²	94	77.5 Å²	77.5	44%	0.439	43%	0.433	S	S	.	.	S	Bend	trans	-97.6	124.1	174.3	-67.3	-179.5	-164.2	0	0	110.8	R295 P296	R295-E298 HydrophobicContact CB-CB 4.18Å; R295-E298 HydrophobicContact CB-CG 4.07Å; R295-E298 VanDerWaalsContact CD-OE1 3.3Å; R295-E298 WeakPolarHBondContact CD-OE1 3.43Å; R295-E298 WeakPolarHBondContact CD-OE2 3.32Å; R295-E298 IonicContact NH1-OE1 3.66Å; R295-E298 PolarHBondContact O-N 3.03Å; P296-E298 VanDerWaalsContact C-N 3.3Å; P296-E298 PolarHBondContact O-N 2.98Å
299	G	67.7	Low	81.5	Confident	69 Å²	69	74.1 Å²	74.1	71%	0.711	41%	0.414	S	S	*	.	S	Bend	trans	93.7	170.7	-180	0	0	0	0	0	114
300	S	74.9	Confident	81	Confident	80 Å²	80	78.4 Å²	78.4	56%	0.559	43%	0.431	S	S	*	.			trans	-79.5	142.4	179	55.1	0	0	0	0	111.5	R222 M302	R222-S300 VanDerWaalsContact CZ-O 3.27Å; R222-S300 PolarHBondContact NH1-O 2.83Å; R222-S300 PolarHBondContact NH1-OG 3.41Å; R222-S300 PolarHBondContact NH2-O 2.93Å; S300-M302 PolarHBondContact O-N 2.96Å
301	P	76.6	Confident	80.2	Confident	77 Å²	77	80.6 Å²	80.6	50%	0.5	45%	0.447	S	S	.	.			trans	-53.4	134.4	170.1	-24	33.4	0	0	0	110.4	E152 V303	E152-P301 HydrophobicContact CG-CB 4.37Å; E152-P301 WeakPolarHBondContact OE1-CA 3.39Å; P301-V303 PolarHBondContact O-N 3.23Å
302	M	78.1	Confident	79	Confident	23 Å²	23	80.2 Å²	80.2	11%	0.113	45%	0.448	C	S	.	.			trans	-87.8	98	179	-162.7	127.8	71.7	0	0	109.6	Y153 R220 R222 S300 P306	Y153-M302 WeakPolarHBondContact CD2-O 3.33Å; Y153-M302 PolarHBondContact N-O 3.45Å; R220-M302 HydrophobicContact CB-CE 3.34Å; R220-M302 HydrophobicContact CG-CE 3.08Å; R220-M302 WeakPolarHBondContact O-CE 3.5Å; R222-M302 HydrophobicContact CB-CE 4.13Å; R222-M302 HydrophobicContact CB-SD 4.42Å; S300-M302 PolarHBondContact O-N 2.96Å; M302-P306 HydrophobicContact CE-CB 3.65Å; M302-P306 HydrophobicContact CE-CG 3.97Å; M302-P306 HydrophobicContact SD-CB 4.04Å
303	V	74.4	Confident	77.7	Confident	97 Å²	97	81.4 Å²	81.4	59%	0.588	46%	0.464	S	S	*	.			trans	-100.3	-20.4	177.5	-65.4	0	0	0	0	112.5	P301	P301-V303 PolarHBondContact O-N 3.23Å
304	D	75.4	Confident	76.7	Confident	132 Å²	132	81.1 Å²	81.1	71%	0.706	47%	0.465	S	S	*	.	S	Bend	trans	-86.3	138.3	176.1	-62.2	-45.4	0	0	0	110.5	P306	D304-P306 WeakPolarHBondContact O-CD 3.37Å
305	N	74.3	Confident	76.1	Confident	112 Å²	112	81.2 Å²	81.2	60%	0.599	47%	0.467	S	S	*	.			trans	-59.4	109.5	-177.9	-173	26.6	0	0	0	111.1	Y153	Y153-N305 HydrophobicContact CE2-CB 4.29Å; Y153-N305 WeakPolarHBondContact OH-CB 3.29Å; Y153-N305 PolarHBondContact OH-OD1 3.49Å
306	P	78.6	Confident	76	Confident	24 Å²	24	80.7 Å²	80.7	16%	0.156	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-77.4	159.8	-173.4	30.7	-32.3	0	0	0	111.7	Y153 R220 M302 D304 R308	Y153-P306 HydrophobicContact CD1-CG 4.21Å; Y153-P306 HydrophobicContact CG-CG 4.13Å; R220-P306 HydrophobicContact CG-CB 4.34Å; R220-P306 HydrophobicContact CG-CG 3.94Å; M302-P306 HydrophobicContact CE-CB 3.65Å; M302-P306 HydrophobicContact CE-CG 3.97Å; M302-P306 HydrophobicContact SD-CB 4.04Å; D304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-R308 PolarHBondContact O-N 2.9Å
307	M	74.5	Confident	76	Confident	186 Å²	186	82.9 Å²	82.9	92%	0.916	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-63.9	130.5	170	-65.4	-171.8	78.7	0	0	109.7
308	R	82.8	Confident	76.8	Confident	131 Å²	131	79.3 Å²	79.3	49%	0.494	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-68.9	143.2	180	-65.1	-162.1	174.6	179	-6.7	111.7	D202 D203 P306	D202-R308 PolarHBondContact O-NH1 3.02Å; D202-R308 PolarHBondContact O-NH2 3.08Å; D203-R308 IonicContact OD1-CZ 3.33Å; D203-R308 IonicContact OD1-NH1 3.11Å; D203-R308 PolarHBondContact OD1-NH1 3.12Å; D203-R308 IonicContact OD2-NH1 2.77Å; P306-R308 PolarHBondContact O-N 2.9Å
309	R	88.8	Confident	77.4	Confident	22 Å²	22	83.2 Å²	83.2	8%	0.083	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-76.3	157.9	172.2	-58.2	-179.2	-69.5	-102.5	-1.2	109.4	D155 E166 W251 F291 S311	D155-R309 VanDerWaalsContact CG-NH1 3.3Å; D155-R309 IonicContact OD1-CZ 3.07Å; D155-R309 VanDerWaalsContact OD1-CZ 3.22Å; D155-R309 IonicContact OD1-NH1 3.99Å; D155-R309 PolarHBondContact OD1-NH1 2.93Å; D155-R309 IonicContact OD1-NH2 2.74Å; D155-R309 PolarHBondContact OD1-NH2 3.36Å; D155-R309 IonicContact OD2-CZ 3.96Å; D155-R309 IonicContact OD2-NH1 3.88Å; D155-R309 PolarHBondContact OD2-NH1 3.42Å; E166-R309 VanDerWaalsContact CD-CZ 3.45Å; E166-R309 WeakPolarHBondContact OE1-CB 3.38Å; E166-R309 WeakPolarHBondContact OE1-CG 3.44Å; E166-R309 IonicContact OE1-CZ 2.85Å; E166-R309 PolarHBondContact OE1-N 3.11Å; E166-R309 IonicContact OE1-NE 3.92Å; E166-R309 PolarHBondContact OE1-NE 3.36Å; E166-R309 IonicContact OE1-NH2 2.73Å; E166-R309 IonicContact OE2-CZ 3.2Å; E166-R309 IonicContact OE2-NE 3.59Å; E166-R309 IonicContact OE2-NH2 3.4Å; E166-R309 PolarHBondContact OE2-NH2 2.56Å; W251-R309 HydrophobicContact CH2-CB 4.33Å; W251-R309 HydrophobicContact CZ2-CB 3.49Å; W251-R309 VanDerWaalsContact CZ2-CB 3.49Å; W251-R309 HydrophobicContact CZ2-CG 4.19Å; F291-R309 HydrophobicContact CE2-CG 4.1Å; F291-R309 HydrophobicContact CZ-CG 3.92Å; R309-S311 PolarHBondContact O-N 3.47Å
310	K	82.9	Confident	77.9	Confident	136 Å²	136	83.1 Å²	83.1	59%	0.591	43%	0.433	S	S	*	.			trans	-86.7	106.4	173.2	-69.3	-178.4	-177.6	175.9	0	108.8	R248 W251	R248-K310 VanDerWaalsContact CD-O 3.32Å; R248-K310 WeakPolarHBondContact CD-O 3.29Å; W251-K310 WeakPolarHBondContact CZ2-O 3.47Å
311	S	78.8	Confident	78.1	Confident	47 Å²	47	82.9 Å²	82.9	33%	0.329	43%	0.425	S	S	.	.			trans	-94	147.5	171.1	-58.6	0	0	0	0	109.9	W251 R309	W251-S311 PolarHBondContact NE1-OG 3.03Å; W251-S311 VanDerWaalsContact NE1-OG 3.11Å; R309-S311 PolarHBondContact O-N 3.47Å
312	G	71.1	Confident	78.2	Confident	12 Å²	12	84.4 Å²	84.4	12%	0.124	43%	0.433	C	S	.	.	S	Bend	trans	-105.3	179.3	-177.4	0	0	0	0	0	113.3	G249	G249-G312 PolarHBondContact O-N 3.4Å
313	P	67.3	Low	78.3	Confident	97 Å²	97	90.5 Å²	90.5	63%	0.63	47%	0.466	S	S	*	.			cis	-78.6	145.1	5.5	-14.1	30	0	0	0	114.5
314	S	73.3	Confident	78.9	Confident	33 Å²	33	92.4 Å²	92.4	23%	0.231	46%	0.463	C	S	.	.			trans	-83.9	128.8	175.5	-78.9	0	0	0	0	112.1	R248 K316 D320	R248-S314 PolarHBondContact NH1-OG 2.81Å; S314-K316 PolarHBondContact O-N 2.88Å; S314-D320 WeakPolarHBondContact CA-OD2 3.46Å; S314-D320 WeakPolarHBondContact CB-OD2 3.49Å; S314-D320 PolarHBondContact OG-OD2 2.89Å
315	C	77.3	Confident	79.5	Confident	13 Å²	13	92 Å²	92	9%	0.088	46%	0.46	C	S	.	.			trans	-73.1	113.7	176.9	-178.7	0	0	0	0	111.4	H317 C318 K319 D320 C329	C315-H317 PolarHBondContact O-N 2.86Å; C315-C318 VanDerWaalsContact CB-SG 3.54Å; C315-C318 VanDerWaalsContact SG-SG 3.6Å; C315-K319 WeakPolarHBondContact O-CA 3.19Å; C315-K319 PolarHBondContact O-N 2.94Å; C315-D320 PolarHBondContact N-OD1 2.91Å; C315-C329 HydrophobicContact CB-CB 3.56Å; C315-C329 VanDerWaalsContact SG-CB 3.56Å; C315-C329 VanDerWaalsContact SG-SG 3.63Å
316	K	80.6	Confident	80.2	Confident	148 Å²	148	87.1 Å²	87.1	64%	0.643	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	177.5	-66.6	176.7	-177.8	169.4	0	114	E247 S314	E247-K316 VanDerWaalsContact OE1-CE 3.28Å; E247-K316 WeakPolarHBondContact OE1-CE 3.22Å; E247-K316 IonicContact OE1-NZ 2.87Å; E247-K316 PolarHBondContact OE1-NZ 3.22Å; E247-K316 WeakPolarHBondContact OE2-CE 3.24Å; E247-K316 IonicContact OE2-NZ 3.49Å; S314-K316 PolarHBondContact O-N 2.88Å
317	H	81.7	Confident	80.7	Confident	129 Å²	129	93.4 Å²	93.4	60%	0.597	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-48.3	-175.7	-68.2	-92.9	0	0	0	112.9	C315 V328	C315-H317 PolarHBondContact O-N 2.86Å; H317-V328 HydrophobicContact CB-CB 4.44Å; H317-V328 HydrophobicContact CB-CG2 4.25Å
318	C	85.6	Confident	81.1	Confident	4 Å²	4	87.3 Å²	87.3	3%	0.027	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.8	177.7	68.6	0	0	0	0	113.7	C315 D320 D321 C326 C329 R337	C315-C318 VanDerWaalsContact CB-SG 3.54Å; C315-C318 VanDerWaalsContact SG-SG 3.6Å; C318-D320 PolarHBondContact O-N 3.29Å; C318-D320 PolarHBondContact SG-N 2.81Å; C318-D321 WeakPolarHBondContact O-CB 3.3Å; C318-D321 PolarHBondContact O-N 3.36Å; C318-C326 HydrophobicContact CB-CB 3.72Å; C318-C329 PolarHBondContact SG-SG 3.22Å; C318-R337 PolarHBondContact SG-NH2 3.09Å
319	K	81.5	Confident	81.1	Confident	176 Å²	176	83.9 Å²	83.9	77%	0.765	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	36.3	-174.3	-54.8	-179.7	179.1	-179.8	0	112.7	C315 D321	C315-K319 WeakPolarHBondContact O-CA 3.19Å; C315-K319 PolarHBondContact O-N 2.94Å; K319-D321 PolarHBondContact O-N 2.88Å; K319-D321 VanDerWaalsContact O-N 3.14Å
320	D	76.6	Confident	81	Confident	67 Å²	67	82.9 Å²	82.9	36%	0.358	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.5	-176.9	-50.2	-38.4	0	0	0	114.6	S314 C315 C318 V322	S314-D320 WeakPolarHBondContact CA-OD2 3.46Å; S314-D320 WeakPolarHBondContact CB-OD2 3.49Å; S314-D320 PolarHBondContact OG-OD2 2.89Å; C315-D320 PolarHBondContact N-OD1 2.91Å; C318-D320 PolarHBondContact O-N 3.29Å; C318-D320 PolarHBondContact SG-N 2.81Å; D320-V322 PolarHBondContact O-N 3.38Å
321	D	80	Confident	81.4	Confident	74 Å²	74	76.4 Å²	76.4	40%	0.396	39%	0.392	S	S	.	.			trans	-68.5	101.5	173.3	-178.9	-8.9	0	0	0	109.4	C318 K319 N323 R324 R337	C318-D321 WeakPolarHBondContact O-CB 3.3Å; C318-D321 PolarHBondContact O-N 3.36Å; K319-D321 PolarHBondContact O-N 2.88Å; K319-D321 VanDerWaalsContact O-N 3.14Å; D321-N323 PolarHBondContact O-N 3.21Å; D321-N323 VanDerWaalsContact O-N 3.14Å; D321-N323 PolarHBondContact OD1-N 3.11Å; D321-R324 HydrophobicContact CB-CB 3.86Å; D321-R324 PolarHBondContact O-N 3.06Å; D321-R337 PolarHBondContact O-NH1 3.4Å; D321-R337 PolarHBondContact O-NH2 3.15Å
322	V	77.6	Confident	82	Confident	110 Å²	110	76.3 Å²	76.3	67%	0.667	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.2	-177.2	-65.7	0	0	0	0	113.6	D320 R337	D320-V322 PolarHBondContact O-N 3.38Å; V322-R337 VanDerWaalsContact CA-NH1 3.25Å; V322-R337 PolarHBondContact O-NH1 3.45Å
323	N	82	Confident	82.9	Confident	150 Å²	150	79 Å²	79	80%	0.802	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10	-179.7	-64.4	-40.9	0	0	0	113.1	D321	D321-N323 PolarHBondContact O-N 3.21Å; D321-N323 VanDerWaalsContact O-N 3.14Å; D321-N323 PolarHBondContact OD1-N 3.11Å
324	R	86.2	Confident	84.1	Confident	138 Å²	138	76.5 Å²	76.5	52%	0.521	38%	0.382	S	S	.	.	S	Bend	trans	-96.4	125.6	-178.4	-173.2	177.1	-179.7	-167.4	-0.8	112	D321 C326 R337	D321-R324 HydrophobicContact CB-CB 3.86Å; D321-R324 PolarHBondContact O-N 3.06Å; R324-C326 PolarHBondContact O-N 3.27Å; R324-R337 PolarHBondContact O-NH1 3.36Å; R324-R337 PolarHBondContact O-NH2 3.11Å
325	L	88.8	Confident	84.8	Confident	124 Å²	124	75 Å²	75	65%	0.649	37%	0.371	S	S	*	.			trans	-58.7	136	171.4	-63.2	174.6	0	0	0	111.2	G335	L325-G335 CarbonylContact C-O 3.6Å; L325-G335 VanDerWaalsContact CA-O 3.3Å; L325-G335 WeakPolarHBondContact CA-O 3.29Å; L325-G335 WeakPolarHBondContact CD2-O 3.35Å
326	C	87.6	Confident	85.3	Confident	9 Å²	9	74.4 Å²	74.4	6%	0.061	37%	0.367	C	S	.	.			trans	-143.2	116.4	-178.3	-168.2	0	0	0	0	112	C318 R324 V328 C329 A330 G335	C318-C326 HydrophobicContact CB-CB 3.72Å; R324-C326 PolarHBondContact O-N 3.27Å; C326-V328 PolarHBondContact O-N 3.28Å; C326-C329 VanDerWaalsContact SG-SG 3.68Å; C326-A330 CarbonylContact O-C 3.5Å; C326-A330 WeakPolarHBondContact O-CA 3.36Å; C326-A330 WeakPolarHBondContact O-CB 3.3Å; C326-A330 PolarHBondContact O-N 2.89Å; C326-G335 PolarHBondContact N-O 3.45Å; C326-G335 WeakPolarHBondContact O-CA 3.32Å
327	R	88.8	Confident	85.5	Confident	156 Å²	156	70.7 Å²	70.7	59%	0.589	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	16.4	177.2	-63.9	-178.6	179.8	-167.1	-0.9	114.2	H332 L333	R327-H332 WeakPolarHBondContact CB-O 3.35Å; R327-H332 VanDerWaalsContact CD-O 3.31Å; R327-H332 WeakPolarHBondContact CD-O 3.13Å; R327-H332 WeakPolarHBondContact CG-O 3.42Å; R327-H332 PolarHBondContact O-ND1 2.79Å; R327-L333 VanDerWaalsContact CZ-O 3.26Å; R327-L333 PolarHBondContact NE-O 3.13Å; R327-L333 PolarHBondContact NH2-O 2.92Å
328	V	82.9	Confident	85.6	Confident	58 Å²	58	69.2 Å²	69.2	35%	0.352	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-53.9	-178.5	-177.4	0	0	0	0	110.5	H317 C326	H317-V328 HydrophobicContact CB-CB 4.44Å; H317-V328 HydrophobicContact CB-CG2 4.25Å; C326-V328 PolarHBondContact O-N 3.28Å
329	C	83.2	Confident	85.4	Confident	58 Å²	58	72 Å²	72	39%	0.392	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	10	177	71.9	0	0	0	0	113.6	C315 C318 C326	C315-C329 HydrophobicContact CB-CB 3.56Å; C315-C329 VanDerWaalsContact SG-CB 3.56Å; C315-C329 VanDerWaalsContact SG-SG 3.63Å; C318-C329 PolarHBondContact SG-SG 3.22Å; C326-C329 VanDerWaalsContact SG-SG 3.68Å
330	A	88.1	Confident	85.2	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.008	35%	0.351	C	S	.	.	S	Bend	trans	-143	-171.4	175.8	0	0	0	0	0	107.9	C326 H332 G336 R337	C326-A330 CarbonylContact O-C 3.5Å; C326-A330 WeakPolarHBondContact O-CA 3.36Å; C326-A330 WeakPolarHBondContact O-CB 3.3Å; C326-A330 PolarHBondContact O-N 2.89Å; A330-H332 PolarHBondContact O-N 3.34Å; A330-H332 VanDerWaalsContact O-N 3.1Å; A330-G336 VanDerWaalsContact CB-O 3.3Å; A330-G336 WeakPolarHBondContact CB-O 3.18Å; A330-R337 HydrophobicContact CB-CG 3.63Å
331	C	91.1	Very high	85.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.			trans	-49.6	121.3	-175.9	175.3	0	0	0	0	112	L333 C334 G335 G336 A352 H354	C331-L333 PolarHBondContact O-N 3.31Å; C331-L333 VanDerWaalsContact O-N 3.13Å; C331-C334 VanDerWaalsContact CB-SG 3.54Å; C331-G335 WeakPolarHBondContact O-CA 3.16Å; C331-G335 PolarHBondContact O-N 2.98Å; C331-G336 PolarHBondContact N-O 3.31Å; C331-A352 CarbonylContact C-O 3.5Å; C331-A352 WeakPolarHBondContact CA-O 3.34Å; C331-H354 WeakPolarHBondContact CB-ND1 3.37Å; C331-H354 PolarHBondContact SG-N 3.26Å; C331-H354 VanDerWaalsContact SG-N 3.38Å; C331-H354 PolarHBondContact SG-ND1 2.57Å; C331-H354 VanDerWaalsContact SG-ND1 3.4Å
332	H	91.8	Very high	85.6	Confident	45 Å²	45	70.8 Å²	70.8	21%	0.208	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.4	-173.5	-166.7	62.7	0	0	0	112.5	R327 A330 M351 A352 F353	R327-H332 WeakPolarHBondContact CB-O 3.35Å; R327-H332 VanDerWaalsContact CD-O 3.31Å; R327-H332 WeakPolarHBondContact CD-O 3.13Å; R327-H332 WeakPolarHBondContact CG-O 3.42Å; R327-H332 PolarHBondContact O-ND1 2.79Å; A330-H332 PolarHBondContact O-N 3.34Å; A330-H332 VanDerWaalsContact O-N 3.1Å; H332-M351 HydrophobicContact CB-CB 4.19Å; H332-A352 WeakPolarHBondContact CB-O 3.32Å; H332-A352 PolarHBondContact N-O 2.78Å; H332-F353 HydrophobicContact CB-CD1 4.23Å; H332-F353 HydrophobicContact CB-CE1 3.71Å; H332-F353 HydrophobicContact CB-CE2 4.12Å; H332-F353 HydrophobicContact CB-CZ 3.64Å; H332-F353 AromaticContact CD2-CZ 3.94Å
333	L	89.3	Confident	86	Confident	68 Å²	68	67.7 Å²	67.7	36%	0.356	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-57	179.5	-59	177.3	0	0	0	111.9	R327 C331 F353 C357 L358	R327-L333 VanDerWaalsContact CZ-O 3.26Å; R327-L333 PolarHBondContact NE-O 3.13Å; R327-L333 PolarHBondContact NH2-O 2.92Å; C331-L333 PolarHBondContact O-N 3.31Å; C331-L333 VanDerWaalsContact O-N 3.13Å; L333-F353 HydrophobicContact CD1-CD1 3.87Å; L333-F353 HydrophobicContact CD1-CE1 4.31Å; L333-F353 HydrophobicContact CD2-CD1 4.47Å; L333-F353 HydrophobicContact CD2-CE1 4.14Å; L333-F353 HydrophobicContact CG-CD1 3.77Å; L333-F353 HydrophobicContact CG-CE1 3.91Å; L333-C357 HydrophobicContact CB-CB 4.22Å; L333-C357 HydrophobicContact CD1-CB 3.99Å; L333-C357 WeakPolarHBondContact CD1-O 3.4Å; L333-L358 HydrophobicContact CD1-CD2 4.48Å
334	C	91.5	Very high	86.3	Confident	45 Å²	45	61.2 Å²	61.2	30%	0.304	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-23.8	-173.8	73.7	0	0	0	0	113.8	C331 G336 H354	C331-C334 VanDerWaalsContact CB-SG 3.54Å; C334-G336 VanDerWaalsContact C-N 3.26Å; C334-G336 PolarHBondContact SG-N 2.77Å; C334-H354 PolarHBondContact SG-ND1 3.16Å; C334-H354 VanDerWaalsContact SG-ND1 3.41Å
335	G	88.9	Confident	86	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.01	30%	0.304	C	S	.	.			trans	76.8	6.8	-174.4	0	0	0	0	0	114.6	L325 C326 C331	L325-G335 CarbonylContact C-O 3.6Å; L325-G335 VanDerWaalsContact CA-O 3.3Å; L325-G335 WeakPolarHBondContact CA-O 3.29Å; L325-G335 WeakPolarHBondContact CD2-O 3.35Å; C326-G335 PolarHBondContact N-O 3.45Å; C326-G335 WeakPolarHBondContact O-CA 3.32Å; C331-G335 WeakPolarHBondContact O-CA 3.16Å; C331-G335 PolarHBondContact O-N 2.98Å
336	G	88.3	Confident	85.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	27%	0.273	C	S	.	.			trans	-80.7	150.8	-178.9	0	0	0	0	0	113	A330 C331 C334 H354	A330-G336 VanDerWaalsContact CB-O 3.3Å; A330-G336 WeakPolarHBondContact CB-O 3.18Å; C331-G336 PolarHBondContact N-O 3.31Å; C334-G336 VanDerWaalsContact C-N 3.26Å; C334-G336 PolarHBondContact SG-N 2.77Å; G336-H354 PolarHBondContact O-CE1 2.89Å
337	R	84.5	Confident	85.1	Confident	71 Å²	71	57.1 Å²	57.1	27%	0.268	29%	0.291	S	S	.	.			trans	-107.8	-0.8	179.5	-65	-175.8	-174.4	106.9	-5.6	113.9	C318 D321 V322 R324 A330	C318-R337 PolarHBondContact SG-NH2 3.09Å; D321-R337 PolarHBondContact O-NH1 3.4Å; D321-R337 PolarHBondContact O-NH2 3.15Å; V322-R337 VanDerWaalsContact CA-NH1 3.25Å; V322-R337 PolarHBondContact O-NH1 3.45Å; R324-R337 PolarHBondContact O-NH1 3.36Å; R324-R337 PolarHBondContact O-NH2 3.11Å; A330-R337 HydrophobicContact CB-CG 3.63Å
338	Q	82.6	Confident	84	Confident	97 Å²	97	56.3 Å²	56.3	45%	0.453	29%	0.294	S	S	.	.			trans	-61.8	159.3	176.8	59.7	-88.4	21.1	0	0	112	Q343 H354 Y356	Q338-Q343 PolarHBondContact O-NE2 2.81Å; Q338-H354 PolarHBondContact O-NE2 3.03Å; Q338-Y356 WeakPolarHBondContact CG-OH 3.49Å
339	D	81.6	Confident	83.8	Confident	64 Å²	64	55.9 Å²	55.9	34%	0.342	29%	0.292	S	S	.	.			trans	44.8	64.1	175.9	-43.4	-47.8	0	0	0	114.8	D341 K342 Y356	D339-D341 VanDerWaalsContact C-OD1 3.29Å; D339-D341 WeakPolarHBondContact CA-OD1 3.33Å; D339-D341 PolarHBondContact O-N 3.46Å; D339-K342 HydrophobicContact CB-CB 4.03Å; D339-K342 HydrophobicContact CB-CD 4.25Å; D339-K342 HydrophobicContact CB-CG 4.45Å; D339-K342 CarbonylContact O-C 3.42Å; D339-K342 PolarHBondContact O-N 3.15Å; D339-Y356 PolarHBondContact OD2-OH 2.99Å
340	P	78.4	Confident	83.6	Confident	97 Å²	97	58.8 Å²	58.8	63%	0.63	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58.6	-32.7	179.1	-20.6	32.7	0	0	0	113	K342 Q343	P340-K342 PolarHBondContact O-N 2.99Å; P340-Q343 PolarHBondContact O-N 3.46Å
341	D	79.1	Confident	83.4	Confident	108 Å²	108	60.9 Å²	60.9	58%	0.578	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.5	-17.8	174.8	64.4	-49.4	0	0	0	113.4	D339	D339-D341 VanDerWaalsContact C-OD1 3.29Å; D339-D341 WeakPolarHBondContact CA-OD1 3.33Å; D339-D341 PolarHBondContact O-N 3.46Å
342	K	85.5	Confident	83.2	Confident	85 Å²	85	61.2 Å²	61.2	37%	0.37	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-114.4	21	-179.9	-65.3	176.3	-168.2	168.2	0	112.3	D339 P340 H354 I355	D339-K342 HydrophobicContact CB-CB 4.03Å; D339-K342 HydrophobicContact CB-CD 4.25Å; D339-K342 HydrophobicContact CB-CG 4.45Å; D339-K342 CarbonylContact O-C 3.42Å; D339-K342 PolarHBondContact O-N 3.15Å; P340-K342 PolarHBondContact O-N 2.99Å; K342-H354 WeakPolarHBondContact O-CA 3.49Å; K342-I355 HydrophobicContact CB-CD1 3.88Å; K342-I355 HydrophobicContact CB-CG1 4.01Å; K342-I355 HydrophobicContact CD-CD1 4.24Å; K342-I355 HydrophobicContact CG-CD1 3.92Å; K342-I355 PolarHBondContact O-N 3.41Å
343	Q	86.6	Confident	83.2	Confident	46 Å²	46	59.2 Å²	59.2	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.8	172.8	-69.2	176.7	29	0	0	110.8	Q338 P340 F353 H354	Q338-Q343 PolarHBondContact O-NE2 2.81Å; P340-Q343 PolarHBondContact O-N 3.46Å; Q343-F353 CarbonylContact C-O 3.56Å; Q343-F353 WeakPolarHBondContact CA-O 3.5Å; Q343-H354 VanDerWaalsContact CG-CD2 3.42Å; Q343-H354 WeakPolarHBondContact CG-CD2 3.29Å; Q343-H354 PolarHBondContact NE2-NE2 3.5Å
344	L	86.8	Confident	83.4	Confident	13 Å²	13	56 Å²	56	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.7	175.2	-59.1	177.3	0	0	0	109.3	A352 F353 I355 L358 L362 V365 P366 W371	L344-A352 CarbonylContact O-C 3.4Å; L344-A352 VanDerWaalsContact O-CA 3.27Å; L344-A352 WeakPolarHBondContact O-CA 3.18Å; L344-F353 PolarHBondContact N-O 3.26Å; L344-F353 PolarHBondContact O-N 3.36Å; L344-I355 HydrophobicContact CD1-CG2 3.83Å; L344-I355 HydrophobicContact CD2-CG2 4.23Å; L344-I355 HydrophobicContact CG-CG2 3.78Å; L344-L358 HydrophobicContact CD1-CD1 4.13Å; L344-L362 HydrophobicContact CD1-CD1 3.62Å; L344-V365 HydrophobicContact CD2-CB 4.19Å; L344-V365 HydrophobicContact CD2-CG1 3.68Å; L344-V365 HydrophobicContact CD2-CG2 4.09Å; L344-P366 HydrophobicContact CD1-CG 4.3Å; L344-W371 HydrophobicContact CB-CD2 3.95Å; L344-W371 HydrophobicContact CB-CE3 3.7Å; L344-W371 HydrophobicContact CB-CH2 4.15Å; L344-W371 HydrophobicContact CB-CZ2 4.4Å; L344-W371 HydrophobicContact CB-CZ3 3.79Å; L344-W371 HydrophobicContact CD1-CD2 3.92Å; L344-W371 HydrophobicContact CD1-CE3 4.48Å; L344-W371 HydrophobicContact CD1-CG 4.23Å; L344-W371 HydrophobicContact CD1-CZ2 3.97Å
345	M	81.5	Confident	83.3	Confident	105 Å²	105	54.4 Å²	54.4	52%	0.517	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.8	174.5	-63.2	-64.8	-68.6	0	0	108.8	D350 A352	M345-D350 WeakPolarHBondContact CE-O 3.37Å; M345-A352 HydrophobicContact SD-CB 3.47Å; M345-A352 WeakPolarHBondContact SD-CB 3.3Å
346	C	81.9	Confident	83.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.			trans	-80.2	127.1	176.8	178.4	0	0	0	0	111.7	E348 C349 D350 M351 F353 W371 C373	C346-E348 PolarHBondContact O-N 2.99Å; C346-C349 VanDerWaalsContact SG-SG 3.67Å; C346-D350 WeakPolarHBondContact O-CA 3.4Å; C346-D350 PolarHBondContact O-N 2.91Å; C346-M351 PolarHBondContact N-O 3.28Å; C346-F353 HydrophobicContact CB-CE2 4.39Å; C346-W371 WeakPolarHBondContact CA-O 3.49Å; C346-W371 HydrophobicContact CB-CE3 4.24Å; C346-W371 HydrophobicContact CB-CZ3 3.93Å; C346-C373 HydrophobicContact CB-CB 3.83Å; C346-C373 PolarHBondContact SG-N 3.44Å; C346-C373 VanDerWaalsContact SG-SG 3.65Å
347	D	73.9	Confident	83.5	Confident	81 Å²	81	60.5 Å²	60.5	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.8	-177.8	-65.8	-60.4	0	0	0	115.7	E370 W371 Y372	D347-E370 VanDerWaalsContact OD2-CA 3.23Å; D347-E370 WeakPolarHBondContact OD2-CA 3.4Å; D347-W371 PolarHBondContact N-O 3.35Å; D347-W371 PolarHBondContact OD2-N 2.7Å; D347-Y372 HydrophobicContact CB-CE1 4.16Å
348	E	67.5	Low	83.6	Confident	139 Å²	139	57.7 Å²	57.7	65%	0.65	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-37.2	178.4	-178.7	69.4	-154.4	0	0	112.5	C346 Y372 C376	C346-E348 PolarHBondContact O-N 2.99Å; E348-Y372 HydrophobicContact CB-CD1 3.9Å; E348-Y372 HydrophobicContact CB-CE1 4.12Å; E348-C376 HydrophobicContact CB-CB 3.73Å; E348-C376 HydrophobicContact CG-CB 3.96Å
349	C	78.4	Confident	83.3	Confident	48 Å²	48	60.2 Å²	60.2	32%	0.324	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-1	-175.3	69.4	0	0	0	0	115.1	C346 M351 C373 C376	C346-C349 VanDerWaalsContact SG-SG 3.67Å; C349-M351 PolarHBondContact O-N 3.21Å; C349-M351 VanDerWaalsContact O-N 3.1Å; C349-C373 VanDerWaalsContact SG-SG 3.7Å; C349-C376 VanDerWaalsContact CB-SG 3.55Å
350	D	77.9	Confident	83.3	Confident	119 Å²	119	62 Å²	62	64%	0.636	33%	0.33	S	S	*	.			trans	56	19.9	-179.2	-61.9	-35.3	0	0	0	114.8	M345 C346	M345-D350 WeakPolarHBondContact CE-O 3.37Å; C346-D350 WeakPolarHBondContact O-CA 3.4Å; C346-D350 PolarHBondContact O-N 2.91Å
351	M	85.3	Confident	83.6	Confident	46 Å²	46	61.5 Å²	61.5	23%	0.227	33%	0.326	C	S	.	.			trans	-87	139.5	177.5	-70.8	-67.7	-162.3	0	0	111.4	H332 C346 C349 F353	H332-M351 HydrophobicContact CB-CB 4.19Å; C346-M351 PolarHBondContact N-O 3.28Å; C349-M351 PolarHBondContact O-N 3.21Å; C349-M351 VanDerWaalsContact O-N 3.1Å; M351-F353 HydrophobicContact CB-CE2 3.66Å; M351-F353 HydrophobicContact CB-CZ 4.2Å; M351-F353 VanDerWaalsContact O-CD2 3.25Å; M351-F353 WeakPolarHBondContact O-CD2 3.31Å; M351-F353 WeakPolarHBondContact O-CE2 3.37Å
352	A	87.1	Confident	83.8	Confident	6 Å²	6	59.2 Å²	59.2	5%	0.05	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	147.6	177.5	0	0	0	0	0	112.2	C331 H332 L344 M345	C331-A352 CarbonylContact C-O 3.5Å; C331-A352 WeakPolarHBondContact CA-O 3.34Å; H332-A352 WeakPolarHBondContact CB-O 3.32Å; H332-A352 PolarHBondContact N-O 2.78Å; L344-A352 CarbonylContact O-C 3.4Å; L344-A352 VanDerWaalsContact O-CA 3.27Å; L344-A352 WeakPolarHBondContact O-CA 3.18Å; M345-A352 HydrophobicContact SD-CB 3.47Å; M345-A352 WeakPolarHBondContact SD-CB 3.3Å
353	F	91.5	Very high	83.6	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.013	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	133.3	177	-65.6	-99.8	0	0	0	110.5	H332 L333 Q343 L344 C346 M351 L358 W371 C373	H332-F353 HydrophobicContact CB-CD1 4.23Å; H332-F353 HydrophobicContact CB-CE1 3.71Å; H332-F353 HydrophobicContact CB-CE2 4.12Å; H332-F353 HydrophobicContact CB-CZ 3.64Å; H332-F353 AromaticContact CD2-CZ 3.94Å; L333-F353 HydrophobicContact CD1-CD1 3.87Å; L333-F353 HydrophobicContact CD1-CE1 4.31Å; L333-F353 HydrophobicContact CD2-CD1 4.47Å; L333-F353 HydrophobicContact CD2-CE1 4.14Å; L333-F353 HydrophobicContact CG-CD1 3.77Å; L333-F353 HydrophobicContact CG-CE1 3.91Å; Q343-F353 CarbonylContact C-O 3.56Å; Q343-F353 WeakPolarHBondContact CA-O 3.5Å; L344-F353 PolarHBondContact N-O 3.26Å; L344-F353 PolarHBondContact O-N 3.36Å; C346-F353 HydrophobicContact CB-CE2 4.39Å; M351-F353 HydrophobicContact CB-CE2 3.66Å; M351-F353 HydrophobicContact CB-CZ 4.2Å; M351-F353 VanDerWaalsContact O-CD2 3.25Å; M351-F353 WeakPolarHBondContact O-CD2 3.31Å; M351-F353 WeakPolarHBondContact O-CE2 3.37Å; F353-L358 HydrophobicContact CB-CD2 3.95Å; F353-L358 HydrophobicContact CB-CG 4.47Å; F353-L358 HydrophobicContact CD1-CD2 3.9Å; F353-L358 HydrophobicContact CG-CD2 4.14Å; F353-W371 HydrophobicContact CB-CH2 3.73Å; F353-W371 HydrophobicContact CB-CZ3 4.31Å; F353-W371 AromaticContact CD2-CH2 3.57Å; F353-W371 HydrophobicContact CD2-CH2 3.57Å; F353-W371 AromaticContact CD2-CZ3 3.67Å; F353-W371 HydrophobicContact CD2-CZ3 3.67Å; F353-W371 HydrophobicContact CE2-CH2 4.34Å; F353-W371 HydrophobicContact CE2-CZ3 4.38Å; F353-W371 AromaticContact CG-CH2 3.71Å; F353-W371 HydrophobicContact CG-CH2 3.71Å; F353-W371 HydrophobicContact CG-CZ3 4.24Å; F353-C373 HydrophobicContact CD2-CB 3.83Å; F353-C373 HydrophobicContact CE1-CB 4.1Å; F353-C373 HydrophobicContact CE2-CB 3.23Å; F353-C373 HydrophobicContact CG-CB 4.49Å; F353-C373 HydrophobicContact CZ-CB 3.4Å
354	H	92.1	Very high	83.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.9	167.3	-70.6	114.2	0	0	0	110.9	C331 C334 G336 Q338 K342 Q343 Y356 C357 L358	C331-H354 WeakPolarHBondContact CB-ND1 3.37Å; C331-H354 PolarHBondContact SG-N 3.26Å; C331-H354 VanDerWaalsContact SG-N 3.38Å; C331-H354 PolarHBondContact SG-ND1 2.57Å; C331-H354 VanDerWaalsContact SG-ND1 3.4Å; C334-H354 PolarHBondContact SG-ND1 3.16Å; C334-H354 VanDerWaalsContact SG-ND1 3.41Å; G336-H354 PolarHBondContact O-CE1 2.89Å; Q338-H354 PolarHBondContact O-NE2 3.03Å; K342-H354 WeakPolarHBondContact O-CA 3.49Å; Q343-H354 VanDerWaalsContact CG-CD2 3.42Å; Q343-H354 WeakPolarHBondContact CG-CD2 3.29Å; Q343-H354 PolarHBondContact NE2-NE2 3.5Å; H354-Y356 HydrophobicContact CB-CD1 4.25Å; H354-Y356 HydrophobicContact CB-CD2 3.87Å; H354-Y356 HydrophobicContact CB-CE1 4.07Å; H354-Y356 HydrophobicContact CB-CE2 3.62Å; H354-Y356 HydrophobicContact CB-CG 4.19Å; H354-Y356 AromaticContact CD2-CE1 3.94Å; H354-Y356 AromaticContact CD2-CZ 3.55Å; H354-Y356 PolarHBondContact CD2-OH 3.21Å; H354-Y356 AromaticContact CG-CE2 3.68Å; H354-Y356 AromaticContact CG-CZ 3.55Å; H354-Y356 PolarHBondContact NE2-OH 3.1Å; H354-Y356 PolarHBondContact O-N 2.67Å; H354-Y356 VanDerWaalsContact O-N 3.12Å; H354-C357 HydrophobicContact CB-CB 3.91Å; H354-C357 PolarHBondContact O-N 3.37Å; H354-L358 PolarHBondContact O-N 2.62Å
355	I	89.8	Confident	83.3	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.062	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.4	174.5	62.7	179.9	0	0	0	112.2	K342 L344 L362 V365	K342-I355 HydrophobicContact CB-CD1 3.88Å; K342-I355 HydrophobicContact CB-CG1 4.01Å; K342-I355 HydrophobicContact CD-CD1 4.24Å; K342-I355 HydrophobicContact CG-CD1 3.92Å; K342-I355 PolarHBondContact O-N 3.41Å; L344-I355 HydrophobicContact CD1-CG2 3.83Å; L344-I355 HydrophobicContact CD2-CG2 4.23Å; L344-I355 HydrophobicContact CG-CG2 3.78Å; I355-L362 HydrophobicContact CB-CB 3.97Å; I355-L362 HydrophobicContact CG2-CB 4.47Å; I355-L362 PolarHBondContact O-N 3.47Å; I355-V365 HydrophobicContact CG2-CG2 4.06Å
356	Y	91.5	Very high	83.3	Confident	91 Å²	91	62 Å²	62	36%	0.357	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.7	-178.6	53.4	-106.1	0	0	0	114.6	Q338 D339 H354	Q338-Y356 WeakPolarHBondContact CG-OH 3.49Å; D339-Y356 PolarHBondContact OD2-OH 2.99Å; H354-Y356 HydrophobicContact CB-CD1 4.25Å; H354-Y356 HydrophobicContact CB-CD2 3.87Å; H354-Y356 HydrophobicContact CB-CE1 4.07Å; H354-Y356 HydrophobicContact CB-CE2 3.62Å; H354-Y356 HydrophobicContact CB-CG 4.19Å; H354-Y356 AromaticContact CD2-CE1 3.94Å; H354-Y356 AromaticContact CD2-CZ 3.55Å; H354-Y356 PolarHBondContact CD2-OH 3.21Å; H354-Y356 AromaticContact CG-CE2 3.68Å; H354-Y356 AromaticContact CG-CZ 3.55Å; H354-Y356 PolarHBondContact NE2-OH 3.1Å; H354-Y356 PolarHBondContact O-N 2.67Å; H354-Y356 VanDerWaalsContact O-N 3.12Å
357	C	89.5	Confident	82.8	Confident	40 Å²	40	67.4 Å²	67.4	27%	0.27	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.2	173.7	-72.9	0	0	0	0	112.5	L333 H354	L333-C357 HydrophobicContact CB-CB 4.22Å; L333-C357 HydrophobicContact CD1-CB 3.99Å; L333-C357 WeakPolarHBondContact CD1-O 3.4Å; H354-C357 HydrophobicContact CB-CB 3.91Å; H354-C357 PolarHBondContact O-N 3.37Å
358	L	86.5	Confident	82.7	Confident	12 Å²	12	69.6 Å²	69.6	6%	0.063	40%	0.402	C	S	.	.	S	Bend	trans	-67.4	157.4	177.3	-63.9	169	0	0	0	111.5	L333 L344 F353 H354 P360 P361 L362 W371 P374	L333-L358 HydrophobicContact CD1-CD2 4.48Å; L344-L358 HydrophobicContact CD1-CD1 4.13Å; F353-L358 HydrophobicContact CB-CD2 3.95Å; F353-L358 HydrophobicContact CB-CG 4.47Å; F353-L358 HydrophobicContact CD1-CD2 3.9Å; F353-L358 HydrophobicContact CG-CD2 4.14Å; H354-L358 PolarHBondContact O-N 2.62Å; L358-P360 CarbonylContact C-O 3.5Å; L358-P360 CarbonylContact O-C 3.54Å; L358-P361 VanDerWaalsContact O-CA 3.23Å; L358-P361 WeakPolarHBondContact O-CA 3.47Å; L358-P361 WeakPolarHBondContact O-CD 3.46Å; L358-L362 HydrophobicContact CD1-CD1 3.54Å; L358-L362 HydrophobicContact CD1-CG 3.93Å; L358-W371 HydrophobicContact CD1-CH2 4.34Å; L358-W371 HydrophobicContact CD1-CZ2 3.59Å; L358-W371 HydrophobicContact CD2-CH2 4.02Å; L358-W371 HydrophobicContact CD2-CZ2 3.82Å; L358-W371 HydrophobicContact CG-CZ2 4.36Å; L358-P374 HydrophobicContact CD2-CG 4.09Å
359	D	77.1	Confident	82.6	Confident	149 Å²	149	70.8 Å²	70.8	80%	0.797	41%	0.413	S	S	*	.	S	Bend	trans	-123.6	110.3	173.7	-174.5	17.1	0	0	0	110.2
360	P	81.6	Confident	82.1	Confident	102 Å²	102	74.4 Å²	74.4	66%	0.662	43%	0.425	S	S	*	.	S	Bend	cis	-69.7	153.9	-4.9	30.5	-35	0	0	0	112.3	L358	L358-P360 CarbonylContact C-O 3.5Å; L358-P360 CarbonylContact O-C 3.54Å
361	P	85	Confident	82.3	Confident	86 Å²	86	70.5 Å²	70.5	56%	0.558	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-68.2	140.5	177.8	26.9	-33.6	0	0	0	110.8	L358	L358-P361 VanDerWaalsContact O-CA 3.23Å; L358-P361 WeakPolarHBondContact O-CA 3.47Å; L358-P361 WeakPolarHBondContact O-CD 3.46Å
362	L	82.6	Confident	82	Confident	60 Å²	60	72.1 Å²	72.1	31%	0.314	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-85.7	141.2	177.1	-65.1	175.6	0	0	0	110.6	L344 I355 L358 P366	L344-L362 HydrophobicContact CD1-CD1 3.62Å; I355-L362 HydrophobicContact CB-CB 3.97Å; I355-L362 HydrophobicContact CG2-CB 4.47Å; I355-L362 PolarHBondContact O-N 3.47Å; L358-L362 HydrophobicContact CD1-CD1 3.54Å; L358-L362 HydrophobicContact CD1-CG 3.93Å; L362-P366 HydrophobicContact CD1-CG 3.97Å
363	S	82.7	Confident	81.7	Confident	121 Å²	121	71.9 Å²	71.9	85%	0.846	40%	0.403	S	S	*	.	S	Bend	trans	-78.2	-26.5	179	53.4	0	0	0	0	113.4
364	S	85.4	Confident	81.1	Confident	72 Å²	72	75.5 Å²	75.5	50%	0.503	43%	0.427	S	S	.	.	S	Bend	trans	-153.9	162.3	-179.6	52.1	0	0	0	0	110
365	V	80.1	Confident	80.3	Confident	69 Å²	69	82.6 Å²	82.6	42%	0.418	46%	0.46	S	S	.	.			trans	-61.5	124.3	171.1	170.8	0	0	0	0	108.3	L344 I355	L344-V365 HydrophobicContact CD2-CB 4.19Å; L344-V365 HydrophobicContact CD2-CG1 3.68Å; L344-V365 HydrophobicContact CD2-CG2 4.09Å; I355-V365 HydrophobicContact CG2-CG2 4.06Å
366	P	81.1	Confident	79.5	Confident	46 Å²	46	83.8 Å²	83.8	30%	0.299	47%	0.469	S	S	.	.			trans	-56.9	146.2	178.6	-25.4	35.6	0	0	0	112.2	L344 L362 E368	L344-P366 HydrophobicContact CD1-CG 4.3Å; L362-P366 HydrophobicContact CD1-CG 3.97Å; P366-E368 VanDerWaalsContact C-N 3.31Å
367	S	72.9	Confident	78.4	Confident	113 Å²	113	85.7 Å²	85.7	79%	0.79	48%	0.476	S	S	*	.	S	Bend	trans	-82.8	-6.1	178.7	55.6	0	0	0	0	114.4
368	E	72.1	Confident	76.7	Confident	128 Å²	128	91.1 Å²	91.1	60%	0.598	50%	0.502	S	S	*	.	S	Bend	trans	-78.8	142	179.5	-57.9	-64.5	147.6	0	0	109.9	P366 E370	P366-E368 VanDerWaalsContact C-N 3.31Å; E368-E370 PolarHBondContact O-N 3.2Å
369	D	64.3	Low	74.6	Confident	164 Å²	164	96 Å²	96	88%	0.877	53%	0.528	S	S	*	.	S	Bend	trans	-66.9	-19.8	-178.6	-64.1	-22	0	0	0	113
370	E	68.6	Low	72.8	Confident	124 Å²	124	90.6 Å²	90.6	58%	0.579	50%	0.504	S	S	*	.			trans	-118.7	131.9	179.1	-63.9	-177.8	-166	0	0	111.6	D347 E368 Y372	D347-E370 VanDerWaalsContact OD2-CA 3.23Å; D347-E370 WeakPolarHBondContact OD2-CA 3.4Å; E368-E370 PolarHBondContact O-N 3.2Å; E370-Y372 HydrophobicContact CB-CE2 4.01Å; E370-Y372 PolarHBondContact OE2-OH 2.92Å
371	W	82.6	Confident	71.1	Confident	37 Å²	37	90.4 Å²	90.4	14%	0.14	51%	0.505	C	S	.	.			trans	-135.1	135.1	172.7	-179.2	85.5	0	0	0	112	L344 C346 D347 F353 L358 C373	L344-W371 HydrophobicContact CB-CD2 3.95Å; L344-W371 HydrophobicContact CB-CE3 3.7Å; L344-W371 HydrophobicContact CB-CH2 4.15Å; L344-W371 HydrophobicContact CB-CZ2 4.4Å; L344-W371 HydrophobicContact CB-CZ3 3.79Å; L344-W371 HydrophobicContact CD1-CD2 3.92Å; L344-W371 HydrophobicContact CD1-CE3 4.48Å; L344-W371 HydrophobicContact CD1-CG 4.23Å; L344-W371 HydrophobicContact CD1-CZ2 3.97Å; C346-W371 WeakPolarHBondContact CA-O 3.49Å; C346-W371 HydrophobicContact CB-CE3 4.24Å; C346-W371 HydrophobicContact CB-CZ3 3.93Å; D347-W371 PolarHBondContact N-O 3.35Å; D347-W371 PolarHBondContact OD2-N 2.7Å; F353-W371 HydrophobicContact CB-CH2 3.73Å; F353-W371 HydrophobicContact CB-CZ3 4.31Å; F353-W371 AromaticContact CD2-CH2 3.57Å; F353-W371 HydrophobicContact CD2-CH2 3.57Å; F353-W371 AromaticContact CD2-CZ3 3.67Å; F353-W371 HydrophobicContact CD2-CZ3 3.67Å; F353-W371 HydrophobicContact CE2-CH2 4.34Å; F353-W371 HydrophobicContact CE2-CZ3 4.38Å; F353-W371 AromaticContact CG-CH2 3.71Å; F353-W371 HydrophobicContact CG-CH2 3.71Å; F353-W371 HydrophobicContact CG-CZ3 4.24Å; L358-W371 HydrophobicContact CD1-CH2 4.34Å; L358-W371 HydrophobicContact CD1-CZ2 3.59Å; L358-W371 HydrophobicContact CD2-CH2 4.02Å; L358-W371 HydrophobicContact CD2-CZ2 3.82Å; L358-W371 HydrophobicContact CG-CZ2 4.36Å; W371-C373 HydrophobicContact CH2-CB 3.7Å; W371-C373 HydrophobicContact CZ2-CB 4.49Å; W371-C373 HydrophobicContact CZ3-CB 3.93Å
372	Y	78.6	Confident	69	Low	80 Å²	80	94.9 Å²	94.9	31%	0.314	52%	0.519	S	S	.	.			trans	-117.4	131.2	179.7	-58.8	-90.6	0	0	0	110	D347 E348 E370	D347-Y372 HydrophobicContact CB-CE1 4.16Å; E348-Y372 HydrophobicContact CB-CD1 3.9Å; E348-Y372 HydrophobicContact CB-CE1 4.12Å; E370-Y372 HydrophobicContact CB-CE2 4.01Å; E370-Y372 PolarHBondContact OE2-OH 2.92Å
373	C	81.3	Confident	67	Low	0 Å²	0	97.1 Å²	97.1	0%	0	53%	0.534	C	S	.	.			trans	-65.9	160.6	176.2	73	0	0	0	0	111.2	C346 C349 F353 W371 E375 C376 R377	C346-C373 HydrophobicContact CB-CB 3.83Å; C346-C373 PolarHBondContact SG-N 3.44Å; C346-C373 VanDerWaalsContact SG-SG 3.65Å; C349-C373 VanDerWaalsContact SG-SG 3.7Å; F353-C373 HydrophobicContact CD2-CB 3.83Å; F353-C373 HydrophobicContact CE1-CB 4.1Å; F353-C373 HydrophobicContact CE2-CB 3.23Å; F353-C373 HydrophobicContact CG-CB 4.49Å; F353-C373 HydrophobicContact CZ-CB 3.4Å; W371-C373 HydrophobicContact CH2-CB 3.7Å; W371-C373 HydrophobicContact CZ2-CB 4.49Å; W371-C373 HydrophobicContact CZ3-CB 3.93Å; C373-E375 PolarHBondContact O-N 2.9Å; C373-C376 CarbonylContact O-C 3.53Å; C373-C376 PolarHBondContact O-N 2.83Å; C373-C376 PolarHBondContact SG-N 3.28Å; C373-C376 VanDerWaalsContact SG-SG 3.7Å; C373-R377 WeakPolarHBondContact O-CB 3.47Å; C373-R377 PolarHBondContact O-N 3.35Å
374	P	77.3	Confident	64.6	Low	80 Å²	80	95.5 Å²	95.5	52%	0.519	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.7	-179.3	-27.6	35.8	0	0	0	115.1	L358	L358-P374 HydrophobicContact CD2-CG 4.09Å
375	E	76.7	Confident	62.2	Low	149 Å²	149	98.4 Å²	98.4	70%	0.696	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-29.7	177.4	-61	-171.2	173.5	0	0	113.3	C373	C373-E375 PolarHBondContact O-N 2.9Å
376	C	73.1	Confident	59.7	Low	37 Å²	37	100.4 Å²	100.4	25%	0.25	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-22.8	-178.7	-70.3	0	0	0	0	113.2	E348 C349 C373 N378	E348-C376 HydrophobicContact CB-CB 3.73Å; E348-C376 HydrophobicContact CG-CB 3.96Å; C349-C376 VanDerWaalsContact CB-SG 3.55Å; C373-C376 CarbonylContact O-C 3.53Å; C373-C376 PolarHBondContact O-N 2.83Å; C373-C376 PolarHBondContact SG-N 3.28Å; C373-C376 VanDerWaalsContact SG-SG 3.7Å; C376-N378 PolarHBondContact O-N 2.91Å
377	R	67	Low	57.6	Low	130 Å²	130	102.2 Å²	102.2	49%	0.491	58%	0.58	S	S	.	*			trans	-68.9	119.2	179.4	-172.4	178.3	-173.4	-164.1	9.2	109	C373 D379	C373-R377 WeakPolarHBondContact O-CB 3.47Å; C373-R377 PolarHBondContact O-N 3.35Å; R377-D379 PolarHBondContact O-N 2.81Å
378	N	54.5	Low	55.8	Low	155 Å²	155	104.8 Å²	104.8	83%	0.829	58%	0.579	S	S	*	*			trans	-66.7	112.6	154.3	-70.9	-43	0	0	0	106.6	C376 A380	C376-N378 PolarHBondContact O-N 2.91Å; N378-A380 PolarHBondContact O-N 3.43Å
379	D	41.3	Very low	53.9	Low	114 Å²	114	110.2 Å²	110.2	61%	0.61	59%	0.594	S	S	*	*			trans	-38.7	104.5	-171.7	-160.1	-18.8	0	0	0	112.7	R377 S381	R377-D379 PolarHBondContact O-N 2.81Å; D379-S381 PolarHBondContact O-N 3.36Å; D379-S381 VanDerWaalsContact O-N 3.08Å; D379-S381 WeakPolarHBondContact OD1-CB 3.43Å; D379-S381 PolarHBondContact OD1-N 2.86Å; D379-S381 PolarHBondContact OD1-OG 3.21Å; D379-S381 PolarHBondContact OD2-OG 3.49Å
380	A	40.9	Very low	52.5	Low	35 Å²	35	109.4 Å²	109.4	29%	0.289	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-78.5	14.4	-176.5	0	0	0	0	0	113.4	N378 E382 V383	N378-A380 PolarHBondContact O-N 3.43Å; A380-E382 PolarHBondContact O-N 2.96Å; A380-E382 VanDerWaalsContact O-N 3.15Å; A380-V383 PolarHBondContact O-N 3.33Å
381	S	44.7	Very low	51.1	Low	98 Å²	98	114.8 Å²	114.8	69%	0.685	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-67.1	1.6	164	55.8	0	0	0	0	113.5	D379	D379-S381 PolarHBondContact O-N 3.36Å; D379-S381 VanDerWaalsContact O-N 3.08Å; D379-S381 WeakPolarHBondContact OD1-CB 3.43Å; D379-S381 PolarHBondContact OD1-N 2.86Å; D379-S381 PolarHBondContact OD1-OG 3.21Å; D379-S381 PolarHBondContact OD2-OG 3.49Å
382	E	40.7	Very low	48.9	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-106.1	3.2	169.2	-66.4	-167	161.6	0	0	114.9	A380	A380-E382 PolarHBondContact O-N 2.96Å; A380-E382 VanDerWaalsContact O-N 3.15Å
383	V	40.1	Very low	47	Very low	107 Å²	107	122 Å²	122	65%	0.648	65%	0.651	S	S	*	*			trans	-112.6	112.3	178.8	-173.6	0	0	0	0	110.4	A380	A380-V383 PolarHBondContact O-N 3.33Å
384	V	32.4	Very low	45.3	Very low	88 Å²	88	131.3 Å²	131.3	53%	0.533	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-87.3	121.4	173	-178.7	0	0	0	0	108.4	L390	V384-L390 HydrophobicContact CG2-CD1 3.85Å; V384-L390 HydrophobicContact CG2-CG 4.45Å
385	L	36.6	Very low	43.8	Very low	133 Å²	133	135.9 Å²	135.9	70%	0.696	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-75.1	154.2	172.3	-75.6	164.6	0	0	0	111.2	G387	L385-G387 PolarHBondContact O-N 3.15Å
386	A	27.5	Very low	42.2	Very low	111 Å²	111	137.2 Å²	137.2	92%	0.917	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	116.5	-173.1	0	0	0	0	0	112.2
387	G	36.8	Very low	40.6	Very low	84 Å²	84	139.6 Å²	139.6	87%	0.866	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.4	-9.6	168.2	0	0	0	0	0	116.4	L385	L385-G387 PolarHBondContact O-N 3.15Å
388	E	34.9	Very low	39.7	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-100.8	144.1	178.5	-69.3	-160	151.7	0	0	114
389	R	32.9	Very low	38.9	Very low	241 Å²	241	141 Å²	141	91%	0.909	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-72.9	134.2	175.5	-76.3	-177.8	175.2	176.3	-1	111	R391	R389-R391 PolarHBondContact O-N 2.98Å
390	L	32.9	Very low	38.7	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.7	173.9	-129	111.4	0	0	0	111	V384	V384-L390 HydrophobicContact CG2-CD1 3.85Å; V384-L390 HydrophobicContact CG2-CG 4.45Å
391	R	41.1	Very low	38.8	Very low	237 Å²	237	141.8 Å²	141.8	89%	0.894	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-93.9	134	169.3	-72.8	-172.6	175.2	-169.6	0.1	110.4	R389 S393	R389-R391 PolarHBondContact O-N 2.98Å; R391-S393 PolarHBondContact O-N 3.38Å
392	E	36.3	Very low	38.6	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-68.6	122.5	176.6	-66.7	-176.9	156.5	0	0	111.3	K394	E392-K394 PolarHBondContact O-N 2.98Å
393	S	38.7	Very low	38.8	Very low	78 Å²	78	138 Å²	138	55%	0.545	75%	0.745	S	S	.	*	P	Polyproline II helix	trans	-74	121.6	178.8	169.2	0	0	0	0	112.2	R391 K395 K396	R391-S393 PolarHBondContact O-N 3.38Å; S393-K395 PolarHBondContact O-N 3.45Å; S393-K395 WeakPolarHBondContact OG-CB 3.24Å; S393-K395 PolarHBondContact OG-N 3.07Å; S393-K396 PolarHBondContact O-N 3.48Å
394	K	44.7	Very low	38.5	Very low	196 Å²	196	136.5 Å²	136.5	85%	0.852	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-6.8	172.4	-69.1	-179.4	178.7	176.6	0	114.2	E392	E392-K394 PolarHBondContact O-N 2.98Å
395	K	45.1	Very low	38.9	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-20.5	176.6	-120.3	176	-177.7	177.2	0	113.1	S393 A397	S393-K395 PolarHBondContact O-N 3.45Å; S393-K395 WeakPolarHBondContact OG-CB 3.24Å; S393-K395 PolarHBondContact OG-N 3.07Å; K395-A397 VanDerWaalsContact C-N 3.28Å; K395-A397 PolarHBondContact O-N 2.96Å
396	K	44.1	Very low	39	Very low	177 Å²	177	135 Å²	135	77%	0.77	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-68.2	-24.4	175.4	-112.4	178.5	179.6	176.3	0	113.3	S393 K398	S393-K396 PolarHBondContact O-N 3.48Å; K396-K398 VanDerWaalsContact C-N 3.35Å; K396-K398 PolarHBondContact O-N 2.97Å
397	A	40	Very low	39.3	Very low	87 Å²	87	139.2 Å²	139.2	72%	0.719	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-78.7	-13.1	-177.4	0	0	0	0	0	114.5	K395	K395-A397 VanDerWaalsContact C-N 3.28Å; K395-A397 PolarHBondContact O-N 2.96Å
398	K	47.6	Very low	39.2	Very low	196 Å²	196	144.5 Å²	144.5	85%	0.852	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-118.3	4.9	-173.7	-70.1	-172.1	176.7	-177.4	0	114.9	K396	K396-K398 VanDerWaalsContact C-N 3.35Å; K396-K398 PolarHBondContact O-N 2.97Å
399	M	36.8	Very low	39.4	Very low	117 Å²	117	143 Å²	143	58%	0.576	74%	0.736	S	S	*	*			trans	-79.9	135.8	175.4	-73.3	-123.8	-69.2	0	0	111.4	S401 A402	M399-S401 WeakPolarHBondContact CB-OG 3.41Å; M399-S401 PolarHBondContact O-N 3.22Å; M399-A402 VanDerWaalsContact O-CB 3.3Å; M399-A402 WeakPolarHBondContact O-CB 3.5Å; M399-A402 PolarHBondContact O-N 3.41Å
400	A	37.3	Very low	39.4	Very low	91 Å²	91	142.6 Å²	142.6	75%	0.752	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-6.2	174.4	0	0	0	0	0	114.1
401	S	43.2	Very low	39.4	Very low	76 Å²	76	137.1 Å²	137.1	53%	0.531	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-14.5	168.7	62.1	0	0	0	0	113.5	M399 T403 S404	M399-S401 WeakPolarHBondContact CB-OG 3.41Å; M399-S401 PolarHBondContact O-N 3.22Å; S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 2.82Å; S401-S404 PolarHBondContact O-N 3.44Å
402	A	40.1	Very low	39.5	Very low	72 Å²	72	135.9 Å²	135.9	60%	0.595	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-16.8	176.3	0	0	0	0	0	112.9	M399	M399-A402 VanDerWaalsContact O-CB 3.3Å; M399-A402 WeakPolarHBondContact O-CB 3.5Å; M399-A402 PolarHBondContact O-N 3.41Å
403	T	45.2	Very low	40.3	Very low	127 Å²	127	128.9 Å²	128.9	78%	0.779	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	9.2	173.4	34.9	0	0	0	0	113.1	S401 S405	S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 2.82Å; T403-S405 PolarHBondContact O-N 2.83Å; T403-S405 VanDerWaalsContact O-N 3.11Å
404	S	35.1	Very low	41.6	Very low	74 Å²	74	127.9 Å²	127.9	52%	0.517	68%	0.681	S	S	.	*			trans	-76.5	101.6	174.1	-171.7	0	0	0	0	109.9	S401 S406	S401-S404 PolarHBondContact O-N 3.44Å; S404-S406 PolarHBondContact O-N 3.31Å
405	S	40.1	Very low	41.9	Very low	122 Å²	122	123.2 Å²	123.2	85%	0.853	68%	0.678	S	S	*	*			trans	-71.7	26.4	167.5	55.5	0	0	0	0	113	T403 Q407	T403-S405 PolarHBondContact O-N 2.83Å; T403-S405 VanDerWaalsContact O-N 3.11Å; S405-Q407 PolarHBondContact O-N 3.11Å; S405-Q407 VanDerWaalsContact O-N 3.15Å
406	S	39.4	Very low	42.4	Very low	68 Å²	68	121 Å²	121	48%	0.476	68%	0.683	S	S	.	*			trans	-78.5	105.5	176.7	112.1	0	0	0	0	108.9	S404 R408	S404-S406 PolarHBondContact O-N 3.31Å; S406-R408 PolarHBondContact O-N 3.2Å
407	Q	33.6	Very low	43.4	Very low	200 Å²	200	115.5 Å²	115.5	94%	0.935	67%	0.665	S	S	*	*			trans	-68.6	50.4	161.1	-72.4	-156.8	-21.9	0	0	111.3	S405	S405-Q407 PolarHBondContact O-N 3.11Å; S405-Q407 VanDerWaalsContact O-N 3.15Å
408	R	34.9	Very low	44.6	Very low	194 Å²	194	113.5 Å²	113.5	73%	0.732	65%	0.652	S	S	*	*			trans	-97.4	92	170.1	-81.1	-176	177.7	172.5	1	108.6	S406 W410	S406-R408 PolarHBondContact O-N 3.2Å; R408-W410 PolarHBondContact O-N 3.08Å
409	D	37.3	Very low	45.8	Very low	137 Å²	137	109.4 Å²	109.4	73%	0.733	63%	0.632	S	S	*	*			trans	-61	110.9	160.9	180	19.6	0	0	0	108.5	G411	D409-G411 PolarHBondContact O-N 3.31Å; D409-G411 WeakPolarHBondContact OD1-CA 3.37Å; D409-G411 PolarHBondContact OD1-N 3.2Å
410	W	33.4	Very low	47.3	Very low	231 Å²	231	108.7 Å²	108.7	88%	0.875	63%	0.634	S	S	*	*			trans	-74.9	2	171.2	-72.6	87.2	0	0	0	112.4	R408	R408-W410 PolarHBondContact O-N 3.08Å
411	G	32.7	Very low	49	Very low	32 Å²	32	110.8 Å²	110.8	33%	0.33	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	36.1	100.1	143.2	0	0	0	0	0	117.7	D409 G413	D409-G411 PolarHBondContact O-N 3.31Å; D409-G411 WeakPolarHBondContact OD1-CA 3.37Å; D409-G411 PolarHBondContact OD1-N 3.2Å; G411-G413 PolarHBondContact O-N 3.3Å
412	K	44.5	Very low	50.5	Low	212 Å²	212	112.2 Å²	112.2	92%	0.922	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.9	19.6	142.9	-54.8	-176.9	178.5	-172.2	0	117.6
413	G	52.7	Low	52.3	Low	43 Å²	43	109.4 Å²	109.4	44%	0.443	60%	0.6	S	S	.	*			trans	-110.5	165.3	-175.4	0	0	0	0	0	115	G411 A415 V417	G411-G413 PolarHBondContact O-N 3.3Å; G413-A415 PolarHBondContact O-N 2.96Å; G413-A415 VanDerWaalsContact O-N 3.11Å; G413-V417 WeakPolarHBondContact O-CG2 3.45Å
414	M	66.1	Low	53.8	Low	58 Å²	58	106.2 Å²	106.2	29%	0.286	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	12.2	-177.8	-63	-58.7	-63.5	0	0	115	V417 F445 V447 P621	M414-V417 HydrophobicContact CE-CB 3.99Å; M414-V417 HydrophobicContact CE-CG1 3.87Å; M414-V417 HydrophobicContact CE-CG2 4.35Å; M414-V417 HydrophobicContact SD-CB 4.37Å; M414-V417 HydrophobicContact SD-CG1 4.46Å; M414-V417 HydrophobicContact SD-CG2 4.07Å; M414-F445 HydrophobicContact CB-CD1 3.92Å; M414-F445 HydrophobicContact CB-CE1 3.91Å; M414-F445 HydrophobicContact CB-CG 4.39Å; M414-F445 HydrophobicContact CB-CZ 4.36Å; M414-F445 HydrophobicContact CE-CD2 4.31Å; M414-F445 HydrophobicContact CE-CG 4.39Å; M414-F445 HydrophobicContact CG-CD1 3.9Å; M414-F445 HydrophobicContact CG-CD2 4.03Å; M414-F445 HydrophobicContact CG-CE1 3.66Å; M414-F445 HydrophobicContact CG-CE2 3.79Å; M414-F445 HydrophobicContact CG-CG 4.08Å; M414-F445 HydrophobicContact CG-CZ 3.6Å; M414-V447 HydrophobicContact CE-CG1 3.66Å; M414-P621 HydrophobicContact CE-CG 3.93Å; M414-P621 HydrophobicContact SD-CG 4.26Å
415	A	50.9	Low	55.7	Low	97 Å²	97	103.8 Å²	103.8	80%	0.802	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-33.9	-172.5	0	0	0	0	0	113.5	G413	G413-A415 PolarHBondContact O-N 2.96Å; G413-A415 VanDerWaalsContact O-N 3.11Å
416	C	56.1	Low	57.5	Low	129 Å²	129	98.2 Å²	98.2	87%	0.872	52%	0.522	S	S	*	.	S	Bend	trans	-118.7	13.2	-176.7	-55.1	0	0	0	0	112.7
417	V	65.5	Low	59.1	Low	63 Å²	63	97.4 Å²	97.4	38%	0.382	52%	0.515	S	S	.	.			trans	-80.6	128	-174.8	178	0	0	0	0	110.2	G413 M414	G413-V417 WeakPolarHBondContact O-CG2 3.45Å; M414-V417 HydrophobicContact CE-CB 3.99Å; M414-V417 HydrophobicContact CE-CG1 3.87Å; M414-V417 HydrophobicContact CE-CG2 4.35Å; M414-V417 HydrophobicContact SD-CB 4.37Å; M414-V417 HydrophobicContact SD-CG1 4.46Å; M414-V417 HydrophobicContact SD-CG2 4.07Å
418	G	64.6	Low	61.2	Low	44 Å²	44	90.3 Å²	90.3	45%	0.454	49%	0.488	S	S	.	.			trans	-78.3	177.6	172.8	0	0	0	0	0	113.2	V447	G418-V447 WeakPolarHBondContact O-CG2 3.07Å
419	R	72.2	Confident	63.5	Low	111 Å²	111	84 Å²	84	42%	0.419	47%	0.468	S	S	.	.			trans	-67.5	139.3	173.5	-65.6	175.6	-75.3	172	4.6	109.6	E422 V447 S450 E451 H458	R419-E422 IonicContact CZ-OE1 3.41Å; R419-E422 IonicContact NH1-OE1 3.92Å; R419-E422 PolarHBondContact NH1-OE1 3.21Å; R419-E422 IonicContact NH1-OE2 3.21Å; R419-E422 IonicContact NH2-OE1 3.98Å; R419-E422 IonicContact NH2-OE2 3.92Å; R419-V447 HydrophobicContact CG-CG2 4.12Å; R419-S450 WeakPolarHBondContact CD-OG 3.47Å; R419-E451 HydrophobicContact CB-CG 4.09Å; R419-E451 HydrophobicContact CG-CG 4.17Å; R419-H458 WeakPolarHBondContact CG-NE2 3.32Å
420	T	69.2	Low	65.9	Low	101 Å²	101	78.3 Å²	78.3	62%	0.62	44%	0.437	S	S	*	.	S	Bend	trans	-91	-18.8	170.1	61.3	0	0	0	0	112.6	E451	T420-E451 WeakPolarHBondContact CB-OE1 3.5Å; T420-E451 PolarHBondContact N-OE1 3.42Å; T420-E451 PolarHBondContact OG1-OE1 2.96Å
421	K	72.1	Confident	68.7	Low	135 Å²	135	69.8 Å²	69.8	59%	0.587	41%	0.406	S	S	*	.	S	Bend	trans	-150.9	159.5	178.2	62.3	-175.9	177.5	-179.5	0	111.2	E451	K421-E451 HydrophobicContact CG-CB 3.73Å; K421-E451 HydrophobicContact CG-CG 3.88Å; K421-E451 WeakPolarHBondContact O-CG 3.33Å
422	E	75.2	Confident	71.5	Confident	107 Å²	107	68.5 Å²	68.5	50%	0.5	39%	0.392	S	S	.	.			trans	-122.6	140.6	176	-179.1	152	-145.3	0	0	110.9	R419 T424 R456	R419-E422 IonicContact CZ-OE1 3.41Å; R419-E422 IonicContact NH1-OE1 3.92Å; R419-E422 PolarHBondContact NH1-OE1 3.21Å; R419-E422 IonicContact NH1-OE2 3.21Å; R419-E422 IonicContact NH2-OE1 3.98Å; R419-E422 IonicContact NH2-OE2 3.92Å; E422-T424 PolarHBondContact O-N 3.25Å; E422-R456 IonicContact OE1-NH1 2.76Å
423	C	77.7	Confident	73.8	Confident	12 Å²	12	61.5 Å²	61.5	8%	0.081	37%	0.368	C	S	.	.			trans	-73.3	109.7	174.2	177.9	0	0	0	0	109.8	E451 G453 R456	C423-E451 PolarHBondContact N-O 2.8Å; C423-G453 VanDerWaalsContact CB-CA 3.49Å; C423-R456 PolarHBondContact O-NH1 3.14Å; C423-R456 PolarHBondContact O-NH2 3.22Å; C423-R456 VanDerWaalsContact O-NH2 3.13Å
424	T	77.3	Confident	75.6	Confident	60 Å²	60	59.6 Å²	59.6	37%	0.368	35%	0.348	S	S	.	.			trans	-103.2	-6.8	175.3	55.7	0	0	0	0	112.8	E422 V426 R806	E422-T424 PolarHBondContact O-N 3.25Å; T424-V426 PolarHBondContact O-N 2.73Å; T424-R806 PolarHBondContact O-NH2 3.34Å
425	I	74.4	Confident	76.4	Confident	24 Å²	24	57.2 Å²	57.2	12%	0.123	34%	0.337	C	S	.	.	S	Bend	trans	-60.5	-34.1	-179.9	-58.9	175.9	0	0	0	111.6	P435 E732	I425-P435 HydrophobicContact CG2-CB 3.92Å; I425-P435 HydrophobicContact CG2-CG 3.82Å; I425-E732 WeakPolarHBondContact CG1-OE1 3.23Å
426	V	77.2	Confident	77.8	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	31%	0.306	C	S	.	.	S	Bend	trans	-139.7	153	175.6	-66.3	0	0	0	0	109.5	T424 H430 I434 P435 R456	T424-V426 PolarHBondContact O-N 2.73Å; V426-H430 HydrophobicContact CB-CB 3.79Å; V426-H430 HydrophobicContact CG2-CB 3.83Å; V426-I434 HydrophobicContact CG2-CD1 3.64Å; V426-I434 HydrophobicContact CG2-CG2 4.47Å; V426-P435 HydrophobicContact CG1-CG 3.77Å; V426-R456 PolarHBondContact O-NH2 2.94Å
427	P	73.5	Confident	79.4	Confident	52 Å²	52	48.1 Å²	48.1	34%	0.338	27%	0.269	S	S	.	.			trans	-65.6	169.8	-180	28.6	-36.8	0	0	0	112.4	N429 H430 R456	P427-N429 VanDerWaalsContact C-N 3.29Å; P427-N429 WeakPolarHBondContact CB-OD1 3.45Å; P427-N429 PolarHBondContact O-N 3.26Å; P427-H430 HydrophobicContact CG-CB 4.31Å; P427-H430 WeakPolarHBondContact O-CB 3.39Å; P427-H430 PolarHBondContact O-N 3.17Å; P427-R456 PolarHBondContact O-NH2 3.48Å
428	S	78.9	Confident	80.5	Confident	50 Å²	50	45.6 Å²	45.6	35%	0.35	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-30.4	-177.2	62.3	0	0	0	0	113.5	H430 H463	S428-H430 VanDerWaalsContact C-N 3.34Å; S428-H463 PolarHBondContact O-CE1 3.4Å
429	N	81.4	Confident	82.1	Confident	61 Å²	61	43.7 Å²	43.7	33%	0.326	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	14.5	177	65.1	-21.6	0	0	0	114.4	P427 Y431 Y471	P427-N429 VanDerWaalsContact C-N 3.29Å; P427-N429 WeakPolarHBondContact CB-OD1 3.45Å; P427-N429 PolarHBondContact O-N 3.26Å; N429-Y431 PolarHBondContact O-N 2.66Å; N429-Y471 VanDerWaalsContact CA-CE1 3.45Å; N429-Y471 VanDerWaalsContact CA-CZ 3.48Å; N429-Y471 HydrophobicContact CB-CE1 3.7Å; N429-Y471 HydrophobicContact CB-CE2 4.41Å; N429-Y471 WeakPolarHBondContact CB-OH 3.37Å; N429-Y471 VanDerWaalsContact O-CD1 3.3Å; N429-Y471 WeakPolarHBondContact O-CD1 3.42Å; N429-Y471 WeakPolarHBondContact O-CE1 3.48Å
430	H	88.1	Confident	83.1	Confident	18 Å²	18	38.4 Å²	38.4	8%	0.083	21%	0.214	C	C	.	.			trans	-64	130.4	-179	177.8	71.7	0	0	0	113	V426 P427 S428 P433 R547	V426-H430 HydrophobicContact CB-CB 3.79Å; V426-H430 HydrophobicContact CG2-CB 3.83Å; P427-H430 HydrophobicContact CG-CB 4.31Å; P427-H430 WeakPolarHBondContact O-CB 3.39Å; P427-H430 PolarHBondContact O-N 3.17Å; S428-H430 VanDerWaalsContact C-N 3.34Å; H430-P433 PolarHBondContact NE2-O 3.46Å; H430-R547 PolarHBondContact O-NH1 3.17Å; H430-R547 PolarHBondContact O-NH2 3.18Å
431	Y	92	Very high	84.3	Confident	53 Å²	53	33.8 Å²	33.8	21%	0.208	19%	0.186	C	C	.	.			trans	-94.2	144.1	171.2	-73.8	-79.3	0	0	0	111.9	N429 D468 G469 Y471 K544	N429-Y431 PolarHBondContact O-N 2.66Å; Y431-D468 WeakPolarHBondContact CE2-OD1 3.5Å; Y431-D468 VanDerWaalsContact OH-C 3.27Å; Y431-D468 PolarHBondContact OH-O 3.41Å; Y431-D468 PolarHBondContact OH-OD1 2.83Å; Y431-D468 PolarHBondContact OH-OD2 3.47Å; Y431-G469 WeakPolarHBondContact OH-CA 3.49Å; Y431-G469 PolarHBondContact OH-N 3.01Å; Y431-G469 VanDerWaalsContact OH-N 3.1Å; Y431-Y471 HydrophobicContact CD1-CD1 4.13Å; Y431-Y471 HydrophobicContact CD2-CD1 4.31Å; Y431-Y471 HydrophobicContact CD2-CE1 4.46Å; Y431-Y471 AromaticContact CE1-CD1 3.81Å; Y431-Y471 HydrophobicContact CE1-CD1 3.81Å; Y431-Y471 HydrophobicContact CE1-CE1 4.24Å; Y431-Y471 HydrophobicContact CE2-CD1 4.01Å; Y431-Y471 AromaticContact CE2-CE1 3.83Å; Y431-Y471 HydrophobicContact CE2-CE1 3.83Å; Y431-Y471 HydrophobicContact CG-CD1 4.37Å; Y431-Y471 AromaticContact CZ-CD1 3.75Å; Y431-Y471 AromaticContact CZ-CE1 3.7Å; Y431-K544 HydrophobicContact CD1-CB 4.18Å; Y431-K544 HydrophobicContact CE1-CB 3.98Å; Y431-K544 HydrophobicContact CE1-CD 3.89Å; Y431-K544 HydrophobicContact CE2-CD 4.39Å
432	G	92.3	Very high	85.4	Confident	5 Å²	5	29 Å²	29	5%	0.052	17%	0.166	C	C	.	.	S	Bend	trans	90.8	-169.1	177.7	0	0	0	0	0	113.9	R547	G432-R547 WeakPolarHBondContact O-CD 3.15Å; G432-R547 WeakPolarHBondContact O-CG 3.14Å; G432-R547 PolarHBondContact O-NH1 3.12Å
433	P	92.3	Very high	86.4	Confident	64 Å²	64	24.7 Å²	24.7	42%	0.416	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-63	151.8	-175.5	-22	33.5	0	0	0	112.8	H430 I571	H430-P433 PolarHBondContact NE2-O 3.46Å; P433-I571 HydrophobicContact CG-CD1 4.02Å; P433-I571 HydrophobicContact CG-CG1 3.8Å
434	I	90.2	Very high	87.1	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-84.2	127.1	169.4	-54.3	-59.3	0	0	0	108.4	V426 G436 I437 G453 V454	V426-I434 HydrophobicContact CG2-CD1 3.64Å; V426-I434 HydrophobicContact CG2-CG2 4.47Å; I434-G436 PolarHBondContact O-N 3.31Å; I434-I437 HydrophobicContact CB-CB 4.25Å; I434-I437 HydrophobicContact CB-CD1 3.95Å; I434-I437 HydrophobicContact CB-CG1 4.25Å; I434-I437 HydrophobicContact CG2-CD1 3.68Å; I434-I437 HydrophobicContact CG2-CG1 4.09Å; I434-I437 PolarHBondContact O-N 2.87Å; I434-I437 VanDerWaalsContact O-N 3.14Å; I434-G453 WeakPolarHBondContact CD1-O 2.94Å; I434-V454 HydrophobicContact CB-CG2 4.32Å; I434-V454 HydrophobicContact CG1-CB 4.38Å; I434-V454 HydrophobicContact CG1-CG2 3.79Å
435	P	83.6	Confident	87.6	Confident	7 Å²	7	26.4 Å²	26.4	5%	0.045	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.9	179	-18.8	28.7	0	0	0	111.3	I425 V426 I437 F799 P800	I425-P435 HydrophobicContact CG2-CB 3.92Å; I425-P435 HydrophobicContact CG2-CG 3.82Å; V426-P435 HydrophobicContact CG1-CG 3.77Å; P435-I437 VanDerWaalsContact C-N 3.28Å; P435-I437 PolarHBondContact O-N 2.83Å; P435-F799 HydrophobicContact CB-CB 4Å; P435-P800 VanDerWaalsContact CG-O 3.29Å; P435-P800 WeakPolarHBondContact CG-O 3.42Å
436	G	79.4	Confident	88.3	Confident	15 Å²	15	27.3 Å²	27.3	16%	0.155	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	4.7	-178.4	0	0	0	0	0	115.7	I434 P438 Q725	I434-G436 PolarHBondContact O-N 3.31Å; G436-P438 WeakPolarHBondContact O-CD 3.17Å; G436-Q725 PolarHBondContact O-NE2 2.99Å
437	I	89.9	Confident	88.5	Confident	20 Å²	20	27.8 Å²	27.8	10%	0.103	15%	0.149	C	C	.	.			trans	-119.9	91.3	178.5	-54.7	-174.4	0	0	0	110.5	I434 P435 T441 W443 S452 V454 Y568	I434-I437 HydrophobicContact CB-CB 4.25Å; I434-I437 HydrophobicContact CB-CD1 3.95Å; I434-I437 HydrophobicContact CB-CG1 4.25Å; I434-I437 HydrophobicContact CG2-CD1 3.68Å; I434-I437 HydrophobicContact CG2-CG1 4.09Å; I434-I437 PolarHBondContact O-N 2.87Å; I434-I437 VanDerWaalsContact O-N 3.14Å; P435-I437 VanDerWaalsContact C-N 3.28Å; P435-I437 PolarHBondContact O-N 2.83Å; I437-T441 HydrophobicContact CG2-CG2 4.15Å; I437-W443 HydrophobicContact CD1-CZ2 4.38Å; I437-W443 HydrophobicContact CG2-CH2 3.64Å; I437-W443 HydrophobicContact CG2-CZ2 3.79Å; I437-S452 WeakPolarHBondContact CD1-O 3.28Å; I437-V454 HydrophobicContact CB-CG2 4.44Å; I437-V454 HydrophobicContact CD1-CG2 3.78Å; I437-V454 HydrophobicContact CG2-CG2 3.84Å; I437-Y568 HydrophobicContact CG2-CD1 4.32Å
438	P	89.9	Confident	89.3	Confident	11 Å²	11	26 Å²	26	7%	0.071	14%	0.136	C	C	.	.			trans	-72.2	158.1	-179	29.7	-35.3	0	0	0	112.4	G436 G440 T441 L614 L616	G436-P438 WeakPolarHBondContact O-CD 3.17Å; P438-G440 PolarHBondContact O-N 2.98Å; P438-T441 WeakPolarHBondContact CD-OG1 3.46Å; P438-T441 WeakPolarHBondContact O-CB 3.4Å; P438-T441 PolarHBondContact O-N 2.99Å; P438-T441 VanDerWaalsContact O-N 3.17Å; P438-T441 PolarHBondContact O-OG1 3.48Å; P438-L614 HydrophobicContact CB-CD1 4.08Å; P438-L614 HydrophobicContact CG-CD1 4.16Å; P438-L616 HydrophobicContact CG-CD1 3.97Å; P438-L616 HydrophobicContact CG-CD2 4.03Å
439	V	96.6	Very high	90	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	131.5	170.1	174	0	0	0	0	110	Y568 G570 E599 P602 R610	V439-Y568 HydrophobicContact CG2-CD1 4.32Å; V439-Y568 HydrophobicContact CG2-CE1 3.93Å; V439-G570 VanDerWaalsContact CG2-CA 3.48Å; V439-E599 HydrophobicContact CB-CB 3.92Å; V439-E599 WeakPolarHBondContact CB-OE2 3.43Å; V439-E599 HydrophobicContact CG2-CB 3.81Å; V439-E599 HydrophobicContact CG2-CG 4.29Å; V439-E599 WeakPolarHBondContact CG2-OE2 3.44Å; V439-E599 PolarHBondContact N-OE2 2.8Å; V439-P602 HydrophobicContact CG1-CG 3.55Å; V439-R610 PolarHBondContact O-NH1 2.99Å
440	G	94.3	Very high	90.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-3.3	-174.2	0	0	0	0	0	114.7	P438 M442 Y568	P438-G440 PolarHBondContact O-N 2.98Å; G440-M442 WeakPolarHBondContact O-CG 3.48Å; G440-Y568 PolarHBondContact N-O 2.83Å
441	T	94.4	Very high	90.3	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.031	10%	0.104	C	C	.	.			trans	-61.9	137.6	172	-55.9	0	0	0	0	110.6	I437 P438 W443 R567 Y568	I437-T441 HydrophobicContact CG2-CG2 4.15Å; P438-T441 WeakPolarHBondContact CD-OG1 3.46Å; P438-T441 WeakPolarHBondContact O-CB 3.4Å; P438-T441 PolarHBondContact O-N 2.99Å; P438-T441 VanDerWaalsContact O-N 3.17Å; P438-T441 PolarHBondContact O-OG1 3.48Å; T441-W443 HydrophobicContact CG2-CD2 4.46Å; T441-W443 HydrophobicContact CG2-CH2 3.63Å; T441-W443 HydrophobicContact CG2-CZ2 3.35Å; T441-W443 HydrophobicContact CG2-CZ3 4.3Å; T441-W443 WeakPolarHBondContact O-CZ3 3.09Å; T441-R567 WeakPolarHBondContact O-CA 3.46Å; T441-Y568 PolarHBondContact O-N 2.75Å
442	M	95.3	Very high	90.2	Very high	34 Å²	34	18.9 Å²	18.9	17%	0.167	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136	-170	-70.1	166.4	-73.1	0	0	112.5	G440 N566 R567 I611 L616 M618 Q619	G440-M442 WeakPolarHBondContact O-CG 3.48Å; M442-N566 CarbonylContact C-O 3.38Å; M442-N566 VanDerWaalsContact CA-O 3.22Å; M442-N566 WeakPolarHBondContact CA-O 3.42Å; M442-R567 HydrophobicContact CG-CB 4.07Å; M442-R567 HydrophobicContact CG-CG 3.76Å; M442-I611 HydrophobicContact CE-CG2 4.31Å; M442-L616 HydrophobicContact CE-CB 4.39Å; M442-L616 WeakPolarHBondContact CE-O 3.49Å; M442-M618 HydrophobicContact CB-CE 3.9Å; M442-M618 HydrophobicContact CB-SD 3.93Å; M442-M618 HydrophobicContact CG-CE 4.41Å; M442-M618 HydrophobicContact SD-CE 4.48Å; M442-Q619 WeakPolarHBondContact O-CB 3.45Å; M442-Q619 VanDerWaalsContact O-CG 3.26Å; M442-Q619 WeakPolarHBondContact O-CG 3.44Å; M442-Q619 PolarHBondContact O-N 2.86Å
443	W	95.9	Very high	90.1	Very high	17 Å²	17	18.7 Å²	18.7	6%	0.064	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141	176.5	-54.6	-90.8	0	0	0	112	I437 T441 Q448 V449 S452 V454 G565 N566	I437-W443 HydrophobicContact CD1-CZ2 4.38Å; I437-W443 HydrophobicContact CG2-CH2 3.64Å; I437-W443 HydrophobicContact CG2-CZ2 3.79Å; T441-W443 HydrophobicContact CG2-CD2 4.46Å; T441-W443 HydrophobicContact CG2-CH2 3.63Å; T441-W443 HydrophobicContact CG2-CZ2 3.35Å; T441-W443 HydrophobicContact CG2-CZ3 4.3Å; T441-W443 WeakPolarHBondContact O-CZ3 3.09Å; W443-Q448 HydrophobicContact CB-CB 3.87Å; W443-Q448 HydrophobicContact CG-CB 4.05Å; W443-V449 HydrophobicContact CB-CG2 3.96Å; W443-V449 HydrophobicContact CD2-CG2 4.12Å; W443-V449 HydrophobicContact CE3-CB 4.49Å; W443-V449 HydrophobicContact CE3-CG1 4.35Å; W443-V449 HydrophobicContact CE3-CG2 3.83Å; W443-V449 HydrophobicContact CG-CG2 4.22Å; W443-V449 HydrophobicContact CZ3-CG1 4.44Å; W443-S452 WeakPolarHBondContact CZ2-OG 3.18Å; W443-V454 HydrophobicContact CH2-CB 4.44Å; W443-V454 HydrophobicContact CH2-CG2 3.81Å; W443-V454 HydrophobicContact CZ2-CG2 4.31Å; W443-G565 CarbonylContact O-C 3.49Å; W443-G565 WeakPolarHBondContact O-CA 3.5Å; W443-N566 PolarHBondContact N-O 3.35Å; W443-N566 PolarHBondContact O-N 3.18Å; W443-N566 PolarHBondContact O-ND2 3.36Å
444	R	91.5	Very high	90.3	Very high	69 Å²	69	15.6 Å²	15.6	26%	0.26	8%	0.077	S	C	.	.	S	Bend	trans	-70.2	-38	-176.3	-174.7	58.5	-178.5	82.1	-2.5	113.2	E564 M618 Q619 Y620	R444-E564 WeakPolarHBondContact CD-OE1 3.3Å; R444-E564 IonicContact CZ-OE1 3.72Å; R444-E564 IonicContact NE-OE1 2.74Å; R444-E564 PolarHBondContact NE-OE1 3.43Å; R444-M618 HydrophobicContact CB-CG 4.45Å; R444-M618 HydrophobicContact CB-SD 4.31Å; R444-M618 PolarHBondContact N-SD 3Å; R444-Q619 WeakPolarHBondContact CB-O 3.34Å; R444-Q619 PolarHBondContact N-O 2.84Å; R444-Y620 HydrophobicContact CB-CD1 3.69Å; R444-Y620 HydrophobicContact CB-CE1 3.96Å; R444-Y620 HydrophobicContact CB-CG 4.42Å; R444-Y620 HydrophobicContact CG-CD1 3.72Å; R444-Y620 HydrophobicContact CG-CE1 3.74Å
445	F	88.7	Confident	90.6	Very high	38 Å²	38	15.4 Å²	15.4	17%	0.167	8%	0.076	C	C	.	.	S	Bend	trans	-123.9	153.6	-174.9	-61.2	-76.4	0	0	0	112.9	M414 V447 Q448 V449 P621 Y624	M414-F445 HydrophobicContact CB-CD1 3.92Å; M414-F445 HydrophobicContact CB-CE1 3.91Å; M414-F445 HydrophobicContact CB-CG 4.39Å; M414-F445 HydrophobicContact CB-CZ 4.36Å; M414-F445 HydrophobicContact CE-CD2 4.31Å; M414-F445 HydrophobicContact CE-CG 4.39Å; M414-F445 HydrophobicContact CG-CD1 3.9Å; M414-F445 HydrophobicContact CG-CD2 4.03Å; M414-F445 HydrophobicContact CG-CE1 3.66Å; M414-F445 HydrophobicContact CG-CE2 3.79Å; M414-F445 HydrophobicContact CG-CG 4.08Å; M414-F445 HydrophobicContact CG-CZ 3.6Å; F445-V447 VanDerWaalsContact C-N 3.29Å; F445-V447 HydrophobicContact CB-CG1 4.04Å; F445-V447 PolarHBondContact O-N 2.85Å; F445-Q448 PolarHBondContact O-N 3.28Å; F445-V449 PolarHBondContact O-N 3.1Å; F445-P621 HydrophobicContact CD2-CG 3.5Å; F445-P621 VanDerWaalsContact CD2-CG 3.5Å; F445-P621 HydrophobicContact CE2-CG 3.8Å; F445-Y624 HydrophobicContact CE2-CD2 4.08Å; F445-Y624 HydrophobicContact CE2-CE1 4.21Å; F445-Y624 AromaticContact CE2-CE2 3.74Å; F445-Y624 HydrophobicContact CE2-CE2 3.74Å; F445-Y624 HydrophobicContact CE2-CG 4.48Å; F445-Y624 AromaticContact CE2-CZ 3.82Å; F445-Y624 HydrophobicContact CZ-CD2 4.42Å; F445-Y624 HydrophobicContact CZ-CE1 4.39Å; F445-Y624 AromaticContact CZ-CE2 3.66Å; F445-Y624 HydrophobicContact CZ-CE2 3.66Å; F445-Y624 AromaticContact CZ-CZ 3.64Å
446	R	88.8	Confident	90.9	Very high	43 Å²	43	16.3 Å²	16.3	16%	0.162	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-33.8	179	-78.1	-72.5	-60.2	-82.3	-2.1	113.1	Q448 V449 S450 H455 P457 H458 V459 A460 N566	R446-Q448 VanDerWaalsContact C-N 3.28Å; R446-Q448 PolarHBondContact O-N 2.73Å; R446-V449 WeakPolarHBondContact O-CB 3.21Å; R446-V449 PolarHBondContact O-N 3.17Å; R446-V449 VanDerWaalsContact O-N 3.12Å; R446-S450 PolarHBondContact O-N 2.66Å; R446-H455 PolarHBondContact NH2-CD2 3.18Å; R446-H455 PolarHBondContact NH2-NE2 2.73Å; R446-P457 PolarHBondContact NH2-O 2.68Å; R446-H458 VanDerWaalsContact CB-O 3.28Å; R446-H458 WeakPolarHBondContact CB-O 3.21Å; R446-V459 PolarHBondContact NH1-O 2.82Å; R446-V459 VanDerWaalsContact NH1-O 3.1Å; R446-V459 PolarHBondContact NH2-O 2.82Å; R446-A460 PolarHBondContact NH2-O 2.74Å; R446-N566 WeakPolarHBondContact CD-OD1 3.36Å
447	V	82.6	Confident	91.4	Very high	14 Å²	14	16.9 Å²	16.9	9%	0.085	8%	0.079	C	C	.	.	H	α-helix	trans	-59	-39.7	175.5	65.6	0	0	0	0	111.5	M414 G418 R419 F445 V449 S450 E451	M414-V447 HydrophobicContact CE-CG1 3.66Å; G418-V447 WeakPolarHBondContact O-CG2 3.07Å; R419-V447 HydrophobicContact CG-CG2 4.12Å; F445-V447 VanDerWaalsContact C-N 3.29Å; F445-V447 HydrophobicContact CB-CG1 4.04Å; F445-V447 PolarHBondContact O-N 2.85Å; V447-V449 VanDerWaalsContact C-N 3.32Å; V447-V449 PolarHBondContact O-N 3.34Å; V447-S450 WeakPolarHBondContact O-CA 3.4Å; V447-S450 VanDerWaalsContact O-CB 3.28Å; V447-S450 WeakPolarHBondContact O-CB 3.26Å; V447-S450 PolarHBondContact O-N 3.41Å; V447-E451 HydrophobicContact CG2-CG 4.48Å; V447-E451 VanDerWaalsContact O-CG 3.27Å; V447-E451 WeakPolarHBondContact O-CG 3.43Å; V447-E451 PolarHBondContact O-N 2.81Å
448	Q	89.4	Confident	90.9	Very high	15 Å²	15	19.1 Å²	19.1	7%	0.07	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-29.4	177.4	-61.2	173.6	-80.8	0	0	113	W443 F445 R446 S450 S452 Q619 Y620 P621	W443-Q448 HydrophobicContact CB-CB 3.87Å; W443-Q448 HydrophobicContact CG-CB 4.05Å; F445-Q448 PolarHBondContact O-N 3.28Å; R446-Q448 VanDerWaalsContact C-N 3.28Å; R446-Q448 PolarHBondContact O-N 2.73Å; Q448-S450 VanDerWaalsContact C-N 3.27Å; Q448-S452 WeakPolarHBondContact O-CB 3.21Å; Q448-S452 PolarHBondContact O-N 2.77Å; Q448-S452 VanDerWaalsContact O-N 3.12Å; Q448-Q619 PolarHBondContact NE2-O 3.4Å; Q448-Q619 VanDerWaalsContact NE2-O 3.17Å; Q448-Q619 PolarHBondContact OE1-O 3.48Å; Q448-Y620 PolarHBondContact NE2-O 3.01Å; Q448-P621 HydrophobicContact CG-CG 4.42Å
449	V	93.6	Very high	90.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.5	-28.8	172	-168.1	0	0	0	0	111	W443 F445 R446 V447 S452 V454 H455 V549 N566	W443-V449 HydrophobicContact CB-CG2 3.96Å; W443-V449 HydrophobicContact CD2-CG2 4.12Å; W443-V449 HydrophobicContact CE3-CB 4.49Å; W443-V449 HydrophobicContact CE3-CG1 4.35Å; W443-V449 HydrophobicContact CE3-CG2 3.83Å; W443-V449 HydrophobicContact CG-CG2 4.22Å; W443-V449 HydrophobicContact CZ3-CG1 4.44Å; F445-V449 PolarHBondContact O-N 3.1Å; R446-V449 WeakPolarHBondContact O-CB 3.21Å; R446-V449 PolarHBondContact O-N 3.17Å; R446-V449 VanDerWaalsContact O-N 3.12Å; V447-V449 VanDerWaalsContact C-N 3.32Å; V447-V449 PolarHBondContact O-N 3.34Å; V449-S452 PolarHBondContact O-OG 3.37Å; V449-V454 HydrophobicContact CG1-CB 4.14Å; V449-V454 HydrophobicContact CG1-CG1 4.33Å; V449-V454 PolarHBondContact O-N 2.75Å; V449-H455 CarbonylContact C-O 3.6Å; V449-H455 HydrophobicContact CG1-CB 3.85Å; V449-H455 PolarHBondContact O-N 3.28Å; V449-V549 HydrophobicContact CG1-CG1 4.35Å; V449-V549 HydrophobicContact CG1-CG2 4.01Å; V449-N566 HydrophobicContact CG2-CB 3.6Å
450	S	90	Very high	90.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-75.5	-47.9	174.3	174.9	0	0	0	0	111.9	R419 R446 V447 Q448 S452 G453 H455 R456 H458	R419-S450 WeakPolarHBondContact CD-OG 3.47Å; R446-S450 PolarHBondContact O-N 2.66Å; V447-S450 WeakPolarHBondContact O-CA 3.4Å; V447-S450 VanDerWaalsContact O-CB 3.28Å; V447-S450 WeakPolarHBondContact O-CB 3.26Å; V447-S450 PolarHBondContact O-N 3.41Å; Q448-S450 VanDerWaalsContact C-N 3.27Å; S450-S452 PolarHBondContact O-N 3.15Å; S450-G453 PolarHBondContact O-N 2.76Å; S450-H455 WeakPolarHBondContact CA-O 3.33Å; S450-H455 PolarHBondContact N-O 3.2Å; S450-R456 WeakPolarHBondContact CB-O 3.45Å; S450-R456 WeakPolarHBondContact OG-CA 3.38Å; S450-R456 PolarHBondContact OG-O 2.83Å; S450-H458 PolarHBondContact OG-CD2 3.24Å; S450-H458 PolarHBondContact OG-NE2 3.05Å
451	E	86.1	Confident	89.9	Confident	18 Å²	18	25.9 Å²	25.9	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-53.6	-33.7	173	-71.6	176.3	166	0	0	112.2	R419 T420 K421 C423 V447 G453	R419-E451 HydrophobicContact CB-CG 4.09Å; R419-E451 HydrophobicContact CG-CG 4.17Å; T420-E451 WeakPolarHBondContact CB-OE1 3.5Å; T420-E451 PolarHBondContact N-OE1 3.42Å; T420-E451 PolarHBondContact OG1-OE1 2.96Å; K421-E451 HydrophobicContact CG-CB 3.73Å; K421-E451 HydrophobicContact CG-CG 3.88Å; K421-E451 WeakPolarHBondContact O-CG 3.33Å; C423-E451 PolarHBondContact N-O 2.8Å; V447-E451 HydrophobicContact CG2-CG 4.48Å; V447-E451 VanDerWaalsContact O-CG 3.27Å; V447-E451 WeakPolarHBondContact O-CG 3.43Å; V447-E451 PolarHBondContact O-N 2.81Å; E451-G453 VanDerWaalsContact C-N 3.31Å
452	S	90	Very high	89.9	Confident	15 Å²	15	25.9 Å²	25.9	11%	0.105	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.8	177.8	81.3	0	0	0	0	114.3	I437 W443 Q448 V449 S450 V454	I437-S452 WeakPolarHBondContact CD1-O 3.28Å; W443-S452 WeakPolarHBondContact CZ2-OG 3.18Å; Q448-S452 WeakPolarHBondContact O-CB 3.21Å; Q448-S452 PolarHBondContact O-N 2.77Å; Q448-S452 VanDerWaalsContact O-N 3.12Å; V449-S452 PolarHBondContact O-OG 3.37Å; S450-S452 PolarHBondContact O-N 3.15Å; S452-V454 PolarHBondContact O-N 3.32Å; S452-V454 WeakPolarHBondContact OG-CG2 3.3Å
453	G	89	Confident	90	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	78	-11.4	-178.7	0	0	0	0	0	115.1	C423 I434 S450 E451 H455	C423-G453 VanDerWaalsContact CB-CA 3.49Å; I434-G453 WeakPolarHBondContact CD1-O 2.94Å; S450-G453 PolarHBondContact O-N 2.76Å; E451-G453 VanDerWaalsContact C-N 3.31Å; G453-H455 PolarHBondContact O-N 3.4Å
454	V	96.3	Very high	89.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-61.1	-47.1	-178.9	175.7	0	0	0	0	110.5	I434 I437 W443 V449 S452 S472 R547 V549 Y568	I434-V454 HydrophobicContact CB-CG2 4.32Å; I434-V454 HydrophobicContact CG1-CB 4.38Å; I434-V454 HydrophobicContact CG1-CG2 3.79Å; I437-V454 HydrophobicContact CB-CG2 4.44Å; I437-V454 HydrophobicContact CD1-CG2 3.78Å; I437-V454 HydrophobicContact CG2-CG2 3.84Å; W443-V454 HydrophobicContact CH2-CB 4.44Å; W443-V454 HydrophobicContact CH2-CG2 3.81Å; W443-V454 HydrophobicContact CZ2-CG2 4.31Å; V449-V454 HydrophobicContact CG1-CB 4.14Å; V449-V454 HydrophobicContact CG1-CG1 4.33Å; V449-V454 PolarHBondContact O-N 2.75Å; S452-V454 PolarHBondContact O-N 3.32Å; S452-V454 WeakPolarHBondContact OG-CG2 3.3Å; V454-S472 WeakPolarHBondContact O-CB 3.39Å; V454-S472 PolarHBondContact O-OG 2.9Å; V454-R547 PolarHBondContact O-NE 2.72Å; V454-V549 HydrophobicContact CG1-CG2 3.56Å; V454-Y568 HydrophobicContact CG1-CD2 3.74Å; V454-Y568 HydrophobicContact CG1-CE2 4.31Å; V454-Y568 HydrophobicContact CG1-CG 4.16Å
455	H	97.3	Very high	89.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-144.7	96	175.4	-175.1	82.6	0	0	0	111	R446 V449 S450 G453 P457 A460 G461 S472 V474 V549	R446-H455 PolarHBondContact NH2-CD2 3.18Å; R446-H455 PolarHBondContact NH2-NE2 2.73Å; V449-H455 CarbonylContact C-O 3.6Å; V449-H455 HydrophobicContact CG1-CB 3.85Å; V449-H455 PolarHBondContact O-N 3.28Å; S450-H455 WeakPolarHBondContact CA-O 3.33Å; S450-H455 PolarHBondContact N-O 3.2Å; G453-H455 PolarHBondContact O-N 3.4Å; H455-P457 PolarHBondContact CD2-O 2.94Å; H455-P457 VanDerWaalsContact CD2-O 3.25Å; H455-A460 PolarHBondContact NE2-O 2.76Å; H455-G461 PolarHBondContact CE1-O 2.63Å; H455-S472 WeakPolarHBondContact CA-OG 3.33Å; H455-S472 PolarHBondContact ND1-OG 3.08Å; H455-V474 HydrophobicContact CB-CG2 4.35Å; H455-V474 WeakPolarHBondContact CD2-CG2 3.31Å; H455-V474 WeakPolarHBondContact NE2-CG2 3.16Å; H455-V549 HydrophobicContact CB-CG2 4.31Å
456	R	90.5	Very high	89.4	Confident	25 Å²	25	29 Å²	29	9%	0.094	16%	0.161	C	C	.	.			trans	-65.3	-34.4	-171.2	-60.3	-169.1	-176.1	-111.6	5.1	115	E422 C423 V426 P427 S450 H458	E422-R456 IonicContact OE1-NH1 2.76Å; C423-R456 PolarHBondContact O-NH1 3.14Å; C423-R456 PolarHBondContact O-NH2 3.22Å; C423-R456 VanDerWaalsContact O-NH2 3.13Å; V426-R456 PolarHBondContact O-NH2 2.94Å; P427-R456 PolarHBondContact O-NH2 3.48Å; S450-R456 WeakPolarHBondContact CB-O 3.45Å; S450-R456 WeakPolarHBondContact OG-CA 3.38Å; S450-R456 PolarHBondContact OG-O 2.83Å; R456-H458 PolarHBondContact O-N 3.13Å
457	P	89.6	Confident	89.2	Confident	28 Å²	28	33.5 Å²	33.5	18%	0.182	19%	0.188	C	C	.	.			trans	-65.3	133.1	175.3	-23.9	34.4	0	0	0	112.6	R446 H455 A460 H463	R446-P457 PolarHBondContact NH2-O 2.68Å; H455-P457 PolarHBondContact CD2-O 2.94Å; H455-P457 VanDerWaalsContact CD2-O 3.25Å; P457-A460 HydrophobicContact CB-CB 3.86Å; P457-H463 VanDerWaalsContact CD-CB 3.48Å; P457-H463 VanDerWaalsContact CD-CG 3.48Å; P457-H463 HydrophobicContact CG-CB 3.62Å
458	H	80.3	Confident	89.5	Confident	67 Å²	67	34.9 Å²	34.9	31%	0.31	20%	0.195	S	C	.	.	S	Bend	trans	-73.2	-31.3	178.2	-71	-170	0	0	0	112.9	R419 R446 S450 R456	R419-H458 WeakPolarHBondContact CG-NE2 3.32Å; R446-H458 VanDerWaalsContact CB-O 3.28Å; R446-H458 WeakPolarHBondContact CB-O 3.21Å; S450-H458 PolarHBondContact OG-CD2 3.24Å; S450-H458 PolarHBondContact OG-NE2 3.05Å; R456-H458 PolarHBondContact O-N 3.13Å
459	V	82.4	Confident	89.6	Confident	82 Å²	82	34.1 Å²	34.1	50%	0.497	19%	0.192	S	C	.	.	S	Bend	trans	-121.3	-52.9	-171.4	-177.8	0	0	0	0	111.3	R446 R504	R446-V459 PolarHBondContact NH1-O 2.82Å; R446-V459 VanDerWaalsContact NH1-O 3.1Å; R446-V459 PolarHBondContact NH2-O 2.82Å; V459-R504 HydrophobicContact CG1-CB 4.13Å
460	A	85.5	Confident	89.8	Confident	49 Å²	49	34.1 Å²	34.1	41%	0.405	19%	0.192	S	C	.	.			trans	-53.4	147.2	-173.7	0	0	0	0	0	112.6	R446 H455 P457	R446-A460 PolarHBondContact NH2-O 2.74Å; H455-A460 PolarHBondContact NE2-O 2.76Å; P457-A460 HydrophobicContact CB-CB 3.86Å
461	G	90.4	Very high	90.1	Very high	24 Å²	24	34.2 Å²	34.2	25%	0.247	19%	0.192	C	C	.	.	S	Bend	trans	-76	-31.4	179.1	0	0	0	0	0	113.1	H455 L473 V474 Y491	H455-G461 PolarHBondContact CE1-O 2.63Å; G461-L473 CarbonylContact O-C 3.54Å; G461-L473 WeakPolarHBondContact O-CA 3.45Å; G461-L473 WeakPolarHBondContact O-CB 3.42Å; G461-V474 PolarHBondContact O-N 3.45Å; G461-Y491 PolarHBondContact O-OH 2.71Å
462	I	95.9	Very high	90.7	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.1	-176.2	-59.1	167.2	0	0	0	108.9	A470 L473 Y491 T517 L521	I462-A470 HydrophobicContact CG2-CB 3.94Å; I462-L473 HydrophobicContact CG1-CB 4.41Å; I462-Y491 HydrophobicContact CD1-CE1 3.93Å; I462-Y491 HydrophobicContact CG1-CE1 3.72Å; I462-T517 HydrophobicContact CB-CG2 4.18Å; I462-T517 HydrophobicContact CG2-CG2 4.23Å; I462-L521 HydrophobicContact CD1-CB 4.44Å; I462-L521 HydrophobicContact CD1-CD2 3.97Å; I462-L521 HydrophobicContact CG1-CD2 4.5Å
463	H	96.5	Very high	91.1	Very high	29 Å²	29	32.6 Å²	32.6	13%	0.134	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.6	167.6	-177.7	-145.5	0	0	0	108.3	S428 P457 A470 Y471 S472	S428-H463 PolarHBondContact O-CE1 3.4Å; P457-H463 VanDerWaalsContact CD-CB 3.48Å; P457-H463 VanDerWaalsContact CD-CG 3.48Å; P457-H463 HydrophobicContact CG-CB 3.62Å; H463-A470 CarbonylContact O-C 3.56Å; H463-A470 WeakPolarHBondContact O-CA 3.29Å; H463-Y471 AromaticContact CD2-CD2 3.98Å; H463-Y471 AromaticContact CE1-CD2 3.48Å; H463-Y471 VanDerWaalsContact CE1-CD2 3.48Å; H463-Y471 WeakPolarHBondContact CE1-CD2 3.44Å; H463-Y471 AromaticContact CG-CD2 3.83Å; H463-Y471 AromaticContact ND1-CD2 3.53Å; H463-Y471 AromaticContact NE2-CD2 3.79Å; H463-Y471 PolarHBondContact O-N 3.36Å; H463-S472 PolarHBondContact N-O 3.39Å; H463-S472 PolarHBondContact O-N 3.14Å
464	G	88.6	Confident	91.5	Very high	20 Å²	20	32.8 Å²	32.8	21%	0.206	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	159.3	-178.4	0	0	0	0	0	112.9	G469	G464-G469 CarbonylContact C-O 3.39Å; G464-G469 WeakPolarHBondContact CA-O 3.21Å
465	R	84.8	Confident	91.5	Very high	140 Å²	140	33.2 Å²	33.2	53%	0.528	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134	171.6	-69.6	-179.3	-175.7	175.7	-5.3	109	N467 D468 G469 Y471 A520	R465-N467 PolarHBondContact O-N 3.45Å; R465-N467 VanDerWaalsContact O-N 3.12Å; R465-D468 HydrophobicContact CB-CB 4.26Å; R465-D468 PolarHBondContact O-N 2.94Å; R465-D468 VanDerWaalsContact O-N 3.15Å; R465-G469 PolarHBondContact N-O 3.29Å; R465-G469 PolarHBondContact O-N 3.03Å; R465-Y471 VanDerWaalsContact CD-OH 3.26Å; R465-Y471 WeakPolarHBondContact CD-OH 3.42Å; R465-Y471 HydrophobicContact CG-CE2 4.35Å; R465-Y471 VanDerWaalsContact CG-OH 3.3Å; R465-Y471 WeakPolarHBondContact CG-OH 3.1Å; R465-A520 VanDerWaalsContact O-CB 3.25Å; R465-A520 WeakPolarHBondContact O-CB 3.35Å
466	S	90	Very high	91.2	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.5	-173.9	52	0	0	0	0	113.2	N516 R519 L523	S466-N516 WeakPolarHBondContact CA-O 3.12Å; S466-N516 WeakPolarHBondContact CB-O 3.19Å; S466-R519 PolarHBondContact O-NH1 3.44Å; S466-L523 WeakPolarHBondContact O-CD1 3.25Å
467	N	84.8	Confident	90.8	Very high	136 Å²	136	35.1 Å²	35.1	73%	0.727	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.1	-177.4	-64.6	-24.3	0	0	0	114.7	R465	R465-N467 PolarHBondContact O-N 3.45Å; R465-N467 VanDerWaalsContact O-N 3.12Å
468	D	87.6	Confident	90.3	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.23	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-65.6	179.9	177	10.3	0	0	0	110.6	Y431 R465 Y471 K544	Y431-D468 WeakPolarHBondContact CE2-OD1 3.5Å; Y431-D468 VanDerWaalsContact OH-C 3.27Å; Y431-D468 PolarHBondContact OH-O 3.41Å; Y431-D468 PolarHBondContact OH-OD1 2.83Å; Y431-D468 PolarHBondContact OH-OD2 3.47Å; R465-D468 HydrophobicContact CB-CB 4.26Å; R465-D468 PolarHBondContact O-N 2.94Å; R465-D468 VanDerWaalsContact O-N 3.15Å; D468-Y471 PolarHBondContact OD2-OH 3.12Å; D468-K544 PolarHBondContact O-NZ 2.99Å; D468-K544 IonicContact OD1-NZ 3.77Å; D468-K544 PolarHBondContact OD1-NZ 2.95Å
469	G	92.3	Very high	90.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.2	179	-178.5	0	0	0	0	0	112.7	Y431 G464 R465 A520	Y431-G469 WeakPolarHBondContact OH-CA 3.49Å; Y431-G469 PolarHBondContact OH-N 3.01Å; Y431-G469 VanDerWaalsContact OH-N 3.1Å; G464-G469 CarbonylContact C-O 3.39Å; G464-G469 WeakPolarHBondContact CA-O 3.21Å; R465-G469 PolarHBondContact N-O 3.29Å; R465-G469 PolarHBondContact O-N 3.03Å; G469-A520 CarbonylContact C-O 3.54Å; G469-A520 WeakPolarHBondContact CA-O 3.42Å
470	A	97.4	Very high	90.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.3	175.4	0	0	0	0	0	111.9	I462 H463 A520 L521 N524	I462-A470 HydrophobicContact CG2-CB 3.94Å; H463-A470 CarbonylContact O-C 3.56Å; H463-A470 WeakPolarHBondContact O-CA 3.29Å; A470-A520 HydrophobicContact CB-CB 4.41Å; A470-A520 PolarHBondContact N-O 3.04Å; A470-A520 VanDerWaalsContact N-O 3.14Å; A470-L521 HydrophobicContact CB-CB 4.04Å; A470-L521 HydrophobicContact CB-CD1 3.8Å; A470-N524 PolarHBondContact N-OD1 3.39Å; A470-N524 PolarHBondContact O-ND2 2.8Å; A470-N524 PolarHBondContact O-OD1 2.84Å
471	Y	96.4	Very high	90.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-36.2	-179.2	-39.7	-66.7	0	0	0	111.7	N429 Y431 H463 R465 D468 R547	N429-Y471 VanDerWaalsContact CA-CE1 3.45Å; N429-Y471 VanDerWaalsContact CA-CZ 3.48Å; N429-Y471 HydrophobicContact CB-CE1 3.7Å; N429-Y471 HydrophobicContact CB-CE2 4.41Å; N429-Y471 WeakPolarHBondContact CB-OH 3.37Å; N429-Y471 VanDerWaalsContact O-CD1 3.3Å; N429-Y471 WeakPolarHBondContact O-CD1 3.42Å; N429-Y471 WeakPolarHBondContact O-CE1 3.48Å; Y431-Y471 HydrophobicContact CD1-CD1 4.13Å; Y431-Y471 HydrophobicContact CD2-CD1 4.31Å; Y431-Y471 HydrophobicContact CD2-CE1 4.46Å; Y431-Y471 AromaticContact CE1-CD1 3.81Å; Y431-Y471 HydrophobicContact CE1-CD1 3.81Å; Y431-Y471 HydrophobicContact CE1-CE1 4.24Å; Y431-Y471 HydrophobicContact CE2-CD1 4.01Å; Y431-Y471 AromaticContact CE2-CE1 3.83Å; Y431-Y471 HydrophobicContact CE2-CE1 3.83Å; Y431-Y471 HydrophobicContact CG-CD1 4.37Å; Y431-Y471 AromaticContact CZ-CD1 3.75Å; Y431-Y471 AromaticContact CZ-CE1 3.7Å; H463-Y471 AromaticContact CD2-CD2 3.98Å; H463-Y471 AromaticContact CE1-CD2 3.48Å; H463-Y471 VanDerWaalsContact CE1-CD2 3.48Å; H463-Y471 WeakPolarHBondContact CE1-CD2 3.44Å; H463-Y471 AromaticContact CG-CD2 3.83Å; H463-Y471 AromaticContact ND1-CD2 3.53Å; H463-Y471 AromaticContact NE2-CD2 3.79Å; H463-Y471 PolarHBondContact O-N 3.36Å; R465-Y471 VanDerWaalsContact CD-OH 3.26Å; R465-Y471 WeakPolarHBondContact CD-OH 3.42Å; R465-Y471 HydrophobicContact CG-CE2 4.35Å; R465-Y471 VanDerWaalsContact CG-OH 3.3Å; R465-Y471 WeakPolarHBondContact CG-OH 3.1Å; D468-Y471 PolarHBondContact OD2-OH 3.12Å; Y471-R547 PolarHBondContact O-N 2.82Å
472	S	98.6	Very high	90.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.4	-179	66.5	0	0	0	0	113.9	V454 H455 H463 R547	V454-S472 WeakPolarHBondContact O-CB 3.39Å; V454-S472 PolarHBondContact O-OG 2.9Å; H455-S472 WeakPolarHBondContact CA-OG 3.33Å; H455-S472 PolarHBondContact ND1-OG 3.08Å; H463-S472 PolarHBondContact N-O 3.39Å; H463-S472 PolarHBondContact O-N 3.14Å; S472-R547 CarbonylContact C-O 3.59Å; S472-R547 WeakPolarHBondContact CA-O 3.25Å; S472-R547 VanDerWaalsContact CB-O 3.27Å; S472-R547 WeakPolarHBondContact CB-O 3.36Å
473	L	98.5	Very high	90.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.5	174.9	66.7	74.8	0	0	0	113.5	G461 I462 F489 Y491 L521 V546 R547 V548 V549 L593	G461-L473 CarbonylContact O-C 3.54Å; G461-L473 WeakPolarHBondContact O-CA 3.45Å; G461-L473 WeakPolarHBondContact O-CB 3.42Å; I462-L473 HydrophobicContact CG1-CB 4.41Å; L473-F489 HydrophobicContact CD1-CE2 4.06Å; L473-F489 HydrophobicContact CD1-CZ 3.94Å; L473-F489 HydrophobicContact CD2-CE2 4.43Å; L473-Y491 HydrophobicContact CD1-CD2 4.1Å; L473-Y491 HydrophobicContact CD1-CE2 3.87Å; L473-Y491 HydrophobicContact CD2-CD1 4.16Å; L473-Y491 HydrophobicContact CD2-CD2 4.36Å; L473-Y491 HydrophobicContact CD2-CE1 4.31Å; L473-Y491 HydrophobicContact CD2-CG 4.19Å; L473-L521 HydrophobicContact CD2-CD1 4.19Å; L473-L521 HydrophobicContact CD2-CD2 4.16Å; L473-V546 HydrophobicContact CB-CG1 4.43Å; L473-V546 HydrophobicContact CD2-CG1 3.97Å; L473-V546 HydrophobicContact CG-CG1 3.85Å; L473-R547 PolarHBondContact N-O 3.4Å; L473-V548 HydrophobicContact CD1-CB 4.48Å; L473-V548 HydrophobicContact CD1-CG1 4.12Å; L473-V548 HydrophobicContact CD1-CG2 4.02Å; L473-V548 HydrophobicContact CG-CG2 4.28Å; L473-V549 PolarHBondContact O-N 2.82Å; L473-L593 HydrophobicContact CD2-CD1 4.29Å; L473-L593 HydrophobicContact CD2-CD2 3.77Å
474	V	98	Very high	90.9	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.6	179.4	-170.1	0	0	0	0	111.6	H455 G461 A476 Y491 V549 N551	H455-V474 HydrophobicContact CB-CG2 4.35Å; H455-V474 WeakPolarHBondContact CD2-CG2 3.31Å; H455-V474 WeakPolarHBondContact NE2-CG2 3.16Å; G461-V474 PolarHBondContact O-N 3.45Å; V474-A476 HydrophobicContact CG1-CB 4.12Å; V474-Y491 WeakPolarHBondContact O-CE2 3.47Å; V474-Y491 PolarHBondContact O-OH 3.4Å; V474-V549 CarbonylContact C-O 3.6Å; V474-V549 VanDerWaalsContact CA-O 3.28Å; V474-V549 WeakPolarHBondContact CA-O 3.34Å; V474-V549 HydrophobicContact CG1-CB 4.46Å; V474-V549 HydrophobicContact CG1-CG1 4.4Å; V474-V549 HydrophobicContact CG2-CB 4.22Å; V474-N551 HydrophobicContact CG1-CB 4.21Å
475	L	96.6	Very high	91.3	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	100.9	167	-78.5	164.8	0	0	0	109.4	F489 Y491 V548 V549 R550 N551	L475-F489 HydrophobicContact CD1-CD1 3.99Å; L475-F489 HydrophobicContact CD1-CD2 3.98Å; L475-F489 HydrophobicContact CD1-CE1 4.04Å; L475-F489 HydrophobicContact CD1-CE2 4.01Å; L475-F489 HydrophobicContact CD1-CG 3.96Å; L475-F489 HydrophobicContact CD1-CZ 4.06Å; L475-F489 HydrophobicContact CD2-CD2 4.01Å; L475-F489 HydrophobicContact CD2-CE2 4.24Å; L475-F489 HydrophobicContact CG-CD2 4.35Å; L475-F489 HydrophobicContact CG-CE2 4.23Å; L475-Y491 HydrophobicContact CD2-CD2 3.66Å; L475-Y491 HydrophobicContact CD2-CE2 3.89Å; L475-Y491 HydrophobicContact CG-CD2 4.26Å; L475-Y491 HydrophobicContact CG-CE2 4.24Å; L475-V548 HydrophobicContact CD1-CG1 4.19Å; L475-V549 PolarHBondContact N-O 3.46Å; L475-R550 HydrophobicContact CB-CG 4.15Å; L475-R550 HydrophobicContact CD1-CG 4Å; L475-N551 PolarHBondContact O-N 3.35Å
476	A	90.8	Very high	91.8	Very high	26 Å²	26	29.2 Å²	29.2	22%	0.215	18%	0.176	C	C	.	.			trans	-125.5	10.2	-175	0	0	0	0	0	114.5	V474 G478 N551 K553	V474-A476 HydrophobicContact CG1-CB 4.12Å; A476-G478 PolarHBondContact O-N 3.14Å; A476-N551 HydrophobicContact CB-CB 3.98Å; A476-K553 CarbonylContact O-C 3.5Å; A476-K553 WeakPolarHBondContact O-CB 3.35Å
477	G	82.1	Confident	92.1	Very high	39 Å²	39	31.6 Å²	31.6	40%	0.402	19%	0.187	S	C	.	.	S	Bend	trans	65.6	27.1	178.2	0	0	0	0	0	113.8
478	G	78.7	Confident	92.7	Very high	42 Å²	42	29.4 Å²	29.4	43%	0.433	17%	0.171	S	C	.	.			trans	-87.6	-9.4	178.8	0	0	0	0	0	114	A476 R497	A476-G478 PolarHBondContact O-N 3.14Å; G478-R497 PolarHBondContact O-NH1 3.32Å; G478-R497 PolarHBondContact O-NH2 2.91Å
479	Y	83.6	Confident	93.2	Very high	32 Å²	32	27.3 Å²	27.3	13%	0.125	16%	0.16	C	C	.	.	S	Bend	trans	-127	129.1	174.8	-71.1	-95.3	0	0	0	108.3	D481 D482 T492 G493 S494 G495 R497	Y479-D481 PolarHBondContact O-N 2.86Å; Y479-D482 PolarHBondContact O-N 3.09Å; Y479-T492 HydrophobicContact CD1-CG2 3.83Å; Y479-T492 HydrophobicContact CG-CG2 4.21Å; Y479-G493 WeakPolarHBondContact CE1-O 3.25Å; Y479-S494 WeakPolarHBondContact OH-CA 3.21Å; Y479-G495 PolarHBondContact OH-N 2.87Å; Y479-R497 PolarHBondContact OH-NE 3.25Å
480	E	85.1	Confident	93.5	Very high	61 Å²	61	28.3 Å²	28.3	29%	0.285	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.5	-177.8	58.4	-89.7	-149.5	0	0	113.2	D482 K583 S584	E480-D482 VanDerWaalsContact C-N 3.34Å; E480-K583 HydrophobicContact CB-CD 4.21Å; E480-K583 HydrophobicContact CG-CB 4Å; E480-K583 HydrophobicContact CG-CD 4.12Å; E480-K583 PolarHBondContact O-NZ 3.41Å; E480-S584 PolarHBondContact OE1-OG 3.12Å
481	D	89.3	Confident	93.5	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.2	-179.5	-60	-58.1	0	0	0	113.6	Y479 T492 K583 R590	Y479-D481 PolarHBondContact O-N 2.86Å; D481-T492 HydrophobicContact CB-CG2 4.13Å; D481-T492 WeakPolarHBondContact CB-OG1 3.4Å; D481-K583 VanDerWaalsContact OD1-CG 3.3Å; D481-K583 WeakPolarHBondContact OD1-CG 3.47Å; D481-K583 PolarHBondContact OD1-N 2.55Å; D481-R590 PolarHBondContact O-NH2 3.23Å
482	D	92.8	Very high	93.5	Very high	20 Å²	20	28.7 Å²	28.7	11%	0.107	17%	0.167	C	C	.	.			trans	-68.1	133.2	174.1	-71.8	-12.4	0	0	0	110.9	Y479 E480 T490 T492	Y479-D482 PolarHBondContact O-N 3.09Å; E480-D482 VanDerWaalsContact C-N 3.34Å; D482-T490 WeakPolarHBondContact CA-O 3.38Å; D482-T492 PolarHBondContact N-OG1 3.33Å; D482-T492 VanDerWaalsContact OD1-CB 3.28Å; D482-T492 WeakPolarHBondContact OD1-CB 3.34Å; D482-T492 PolarHBondContact OD1-N 3.17Å; D482-T492 PolarHBondContact OD1-OG1 3.03Å
483	V	95.3	Very high	93.2	Very high	53 Å²	53	28.7 Å²	28.7	32%	0.321	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.2	177.2	-175.5	0	0	0	0	109.6	H485 F489 T490	V483-H485 WeakPolarHBondContact CG1-NE2 3.5Å; V483-F489 CarbonylContact O-C 3.56Å; V483-F489 WeakPolarHBondContact O-CA 3.44Å; V483-F489 WeakPolarHBondContact O-CB 3.35Å; V483-T490 PolarHBondContact N-O 2.87Å; V483-T490 PolarHBondContact O-N 2.86Å
484	D	97.4	Very high	92.7	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118	-171.5	-174.9	13.2	0	0	0	113.1	G486 F489 R550 S558 Y560	D484-G486 PolarHBondContact OD1-N 3.36Å; D484-F489 HydrophobicContact CB-CB 4.3Å; D484-R550 IonicContact OD1-CZ 3.94Å; D484-R550 IonicContact OD1-NE 3.28Å; D484-R550 PolarHBondContact OD1-NE 3Å; D484-R550 IonicContact OD1-NH2 3.79Å; D484-R550 PolarHBondContact OD1-NH2 3.34Å; D484-R550 IonicContact OD2-CZ 3.36Å; D484-R550 IonicContact OD2-NE 3.58Å; D484-R550 PolarHBondContact OD2-NE 3.01Å; D484-R550 IonicContact OD2-NH2 3.5Å; D484-S558 VanDerWaalsContact CG-OG 3.29Å; D484-S558 WeakPolarHBondContact OD2-CB 3.37Å; D484-S558 PolarHBondContact OD2-OG 2.86Å; D484-Y560 WeakPolarHBondContact O-CE2 3.29Å
485	H	96.6	Very high	92.2	Very high	85 Å²	85	31.7 Å²	31.7	39%	0.394	19%	0.193	S	C	.	.			trans	-110.8	16	176.8	-59.4	-75.8	0	0	0	112.9	V483 N487 F488 Y560	V483-H485 WeakPolarHBondContact CG1-NE2 3.5Å; H485-N487 PolarHBondContact O-N 3.19Å; H485-F488 CarbonylContact C-O 3.5Å; H485-F488 VanDerWaalsContact CA-O 3.28Å; H485-F488 WeakPolarHBondContact CA-O 3.47Å; H485-F488 HydrophobicContact CB-CD1 4.12Å; H485-F488 HydrophobicContact CB-CD2 4.09Å; H485-F488 HydrophobicContact CB-CE1 3.79Å; H485-F488 HydrophobicContact CB-CE2 3.77Å; H485-F488 HydrophobicContact CB-CG 4.26Å; H485-F488 HydrophobicContact CB-CZ 3.6Å; H485-F488 VanDerWaalsContact CB-O 3.28Å; H485-F488 WeakPolarHBondContact CB-O 3.27Å; H485-F488 AromaticContact CD2-CD2 3.87Å; H485-F488 AromaticContact CD2-CE2 3.24Å; H485-F488 WeakPolarHBondContact CD2-CE2 3.36Å; H485-F488 AromaticContact CD2-CZ 3.76Å; H485-F488 AromaticContact CG-CE2 3.65Å; H485-F488 AromaticContact CG-CZ 3.69Å; H485-F488 PolarHBondContact N-O 3.05Å; H485-Y560 VanDerWaalsContact CA-CE2 3.48Å; H485-Y560 VanDerWaalsContact O-CZ 3.29Å; H485-Y560 PolarHBondContact O-OH 3.32Å
486	G	95.2	Very high	91.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	78.2	-80.2	179.3	0	0	0	0	0	111.5	D484 F488 R550 Y572 W603	D484-G486 PolarHBondContact OD1-N 3.36Å; G486-F488 PolarHBondContact N-O 3.14Å; G486-F488 PolarHBondContact O-N 3.02Å; G486-R550 PolarHBondContact O-NH2 2.89Å; G486-Y572 WeakPolarHBondContact O-CE1 3.36Å; G486-Y572 PolarHBondContact O-OH 3.19Å; G486-W603 VanDerWaalsContact C-CZ2 3.42Å
487	N	97.3	Very high	91.3	Very high	87 Å²	87	32.1 Å²	32.1	47%	0.465	19%	0.192	S	C	.	.	S	Bend	trans	-71.3	-18.1	-178.7	-72.5	-16.4	0	0	0	113.4	H485 R595 W603	H485-N487 PolarHBondContact O-N 3.19Å; N487-R595 VanDerWaalsContact O-CB 3.27Å; N487-R595 WeakPolarHBondContact O-CB 3.16Å; N487-R595 PolarHBondContact O-N 3.37Å; N487-W603 WeakPolarHBondContact OD1-CZ2 3.3Å
488	F	97.9	Very high	91.1	Very high	89 Å²	89	34.3 Å²	34.3	39%	0.39	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158	170.3	64.4	-84.4	0	0	0	108.8	H485 G486 L592 L593 R594	H485-F488 CarbonylContact C-O 3.5Å; H485-F488 VanDerWaalsContact CA-O 3.28Å; H485-F488 WeakPolarHBondContact CA-O 3.47Å; H485-F488 HydrophobicContact CB-CD1 4.12Å; H485-F488 HydrophobicContact CB-CD2 4.09Å; H485-F488 HydrophobicContact CB-CE1 3.79Å; H485-F488 HydrophobicContact CB-CE2 3.77Å; H485-F488 HydrophobicContact CB-CG 4.26Å; H485-F488 HydrophobicContact CB-CZ 3.6Å; H485-F488 VanDerWaalsContact CB-O 3.28Å; H485-F488 WeakPolarHBondContact CB-O 3.27Å; H485-F488 AromaticContact CD2-CD2 3.87Å; H485-F488 AromaticContact CD2-CE2 3.24Å; H485-F488 WeakPolarHBondContact CD2-CE2 3.36Å; H485-F488 AromaticContact CD2-CZ 3.76Å; H485-F488 AromaticContact CG-CE2 3.65Å; H485-F488 AromaticContact CG-CZ 3.69Å; H485-F488 PolarHBondContact N-O 3.05Å; G486-F488 PolarHBondContact N-O 3.14Å; G486-F488 PolarHBondContact O-N 3.02Å; F488-L592 HydrophobicContact CD2-CD1 4.19Å; F488-L593 CarbonylContact C-O 3.58Å; F488-L593 WeakPolarHBondContact CA-O 3.49Å; F488-L593 VanDerWaalsContact CB-O 3.28Å; F488-L593 WeakPolarHBondContact CB-O 3.42Å; F488-R594 HydrophobicContact CB-CB 4.38Å; F488-R594 HydrophobicContact CB-CG 4.38Å
489	F	98.3	Very high	90.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.5	177	57.9	-90.3	0	0	0	110.6	L473 L475 V483 D484 Y491 V548 Y572 L593	L473-F489 HydrophobicContact CD1-CE2 4.06Å; L473-F489 HydrophobicContact CD1-CZ 3.94Å; L473-F489 HydrophobicContact CD2-CE2 4.43Å; L475-F489 HydrophobicContact CD1-CD1 3.99Å; L475-F489 HydrophobicContact CD1-CD2 3.98Å; L475-F489 HydrophobicContact CD1-CE1 4.04Å; L475-F489 HydrophobicContact CD1-CE2 4.01Å; L475-F489 HydrophobicContact CD1-CG 3.96Å; L475-F489 HydrophobicContact CD1-CZ 4.06Å; L475-F489 HydrophobicContact CD2-CD2 4.01Å; L475-F489 HydrophobicContact CD2-CE2 4.24Å; L475-F489 HydrophobicContact CG-CD2 4.35Å; L475-F489 HydrophobicContact CG-CE2 4.23Å; V483-F489 CarbonylContact O-C 3.56Å; V483-F489 WeakPolarHBondContact O-CA 3.44Å; V483-F489 WeakPolarHBondContact O-CB 3.35Å; D484-F489 HydrophobicContact CB-CB 4.3Å; F489-Y491 HydrophobicContact CD2-CD2 4.26Å; F489-Y491 AromaticContact CE2-CD2 3.87Å; F489-Y491 HydrophobicContact CE2-CD2 3.87Å; F489-Y491 HydrophobicContact CE2-CG 4.21Å; F489-V548 HydrophobicContact CE1-CG1 3.94Å; F489-V548 HydrophobicContact CE1-CG2 3.99Å; F489-V548 HydrophobicContact CZ-CG1 3.94Å; F489-V548 HydrophobicContact CZ-CG2 3.72Å; F489-Y572 HydrophobicContact CD1-CD1 4.06Å; F489-Y572 AromaticContact CD1-CE1 3.88Å; F489-Y572 HydrophobicContact CD1-CE1 3.88Å; F489-Y572 AromaticContact CE1-CD1 3.46Å; F489-Y572 HydrophobicContact CE1-CD1 3.46Å; F489-Y572 VanDerWaalsContact CE1-CD1 3.46Å; F489-Y572 AromaticContact CE1-CE1 3.55Å; F489-Y572 HydrophobicContact CE1-CE1 3.55Å; F489-Y572 AromaticContact CE1-CG 4Å; F489-Y572 HydrophobicContact CE1-CG 4Å; F489-Y572 HydrophobicContact CZ-CD1 4.4Å; F489-L593 HydrophobicContact CD1-CB 4.37Å; F489-L593 HydrophobicContact CD2-CB 4.31Å; F489-L593 HydrophobicContact CD2-CD1 4.36Å; F489-L593 HydrophobicContact CE1-CB 3.93Å; F489-L593 HydrophobicContact CE2-CB 3.88Å; F489-L593 HydrophobicContact CE2-CD1 3.75Å; F489-L593 HydrophobicContact CE2-CD2 4.25Å; F489-L593 HydrophobicContact CE2-CG 4.16Å; F489-L593 HydrophobicContact CZ-CB 3.66Å; F489-L593 HydrophobicContact CZ-CD1 4.21Å; F489-L593 HydrophobicContact CZ-CD2 3.88Å; F489-L593 HydrophobicContact CZ-CG 4.12Å; F489-L593 PolarHBondContact N-O 3Å; F489-L593 PolarHBondContact O-N 2.87Å
490	T	98	Very high	90	Very high	20 Å²	20	37.7 Å²	37.7	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.8	168.3	-52.4	0	0	0	0	108.2	D482 V483 W578 R590 Y591	D482-T490 WeakPolarHBondContact CA-O 3.38Å; V483-T490 PolarHBondContact N-O 2.87Å; V483-T490 PolarHBondContact O-N 2.86Å; T490-W578 HydrophobicContact CG2-CH2 3.84Å; T490-W578 HydrophobicContact CG2-CZ2 4.11Å; T490-R590 HydrophobicContact CG2-CB 4Å; T490-Y591 CarbonylContact C-O 3.59Å; T490-Y591 VanDerWaalsContact CA-O 3.3Å; T490-Y591 WeakPolarHBondContact CA-O 3.19Å
491	Y	98.1	Very high	88.8	Confident	8 Å²	8	38.4 Å²	38.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.6	-179.9	-161.8	-103.6	0	0	0	110.6	G461 I462 L473 V474 L475 F489 L521 R590 Y591	G461-Y491 PolarHBondContact O-OH 2.71Å; I462-Y491 HydrophobicContact CD1-CE1 3.93Å; I462-Y491 HydrophobicContact CG1-CE1 3.72Å; L473-Y491 HydrophobicContact CD1-CD2 4.1Å; L473-Y491 HydrophobicContact CD1-CE2 3.87Å; L473-Y491 HydrophobicContact CD2-CD1 4.16Å; L473-Y491 HydrophobicContact CD2-CD2 4.36Å; L473-Y491 HydrophobicContact CD2-CE1 4.31Å; L473-Y491 HydrophobicContact CD2-CG 4.19Å; V474-Y491 WeakPolarHBondContact O-CE2 3.47Å; V474-Y491 PolarHBondContact O-OH 3.4Å; L475-Y491 HydrophobicContact CD2-CD2 3.66Å; L475-Y491 HydrophobicContact CD2-CE2 3.89Å; L475-Y491 HydrophobicContact CG-CD2 4.26Å; L475-Y491 HydrophobicContact CG-CE2 4.24Å; F489-Y491 HydrophobicContact CD2-CD2 4.26Å; F489-Y491 AromaticContact CE2-CD2 3.87Å; F489-Y491 HydrophobicContact CE2-CD2 3.87Å; F489-Y491 HydrophobicContact CE2-CG 4.21Å; Y491-L521 HydrophobicContact CD1-CD2 4.02Å; Y491-R590 CarbonylContact O-C 3.59Å; Y491-R590 WeakPolarHBondContact O-CA 3.28Å; Y491-Y591 PolarHBondContact N-O 2.98Å; Y491-Y591 PolarHBondContact O-N 2.97Å
492	T	96.3	Very high	87.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.1	176.3	-41.4	0	0	0	0	110.3	Y479 D481 D482 V588 W589	Y479-T492 HydrophobicContact CD1-CG2 3.83Å; Y479-T492 HydrophobicContact CG-CG2 4.21Å; D481-T492 HydrophobicContact CB-CG2 4.13Å; D481-T492 WeakPolarHBondContact CB-OG1 3.4Å; D482-T492 PolarHBondContact N-OG1 3.33Å; D482-T492 VanDerWaalsContact OD1-CB 3.28Å; D482-T492 WeakPolarHBondContact OD1-CB 3.34Å; D482-T492 PolarHBondContact OD1-N 3.17Å; D482-T492 PolarHBondContact OD1-OG1 3.03Å; T492-V588 HydrophobicContact CG2-CB 3.9Å; T492-V588 HydrophobicContact CG2-CG1 4.27Å; T492-V588 HydrophobicContact CG2-CG2 4.25Å; T492-W589 CarbonylContact C-O 3.53Å
493	G	90.8	Very high	85.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58.5	164.9	173.1	0	0	0	0	0	112	Y479 Q512 N518 W589	Y479-G493 WeakPolarHBondContact CE1-O 3.25Å; G493-Q512 PolarHBondContact O-NE2 3.28Å; G493-Q512 PolarHBondContact O-OE1 2.99Å; G493-N518 WeakPolarHBondContact CA-OD1 3.35Å; G493-W589 PolarHBondContact N-O 3.38Å
494	S	88.3	Confident	84.4	Confident	33 Å²	33	52.7 Å²	52.7	23%	0.231	29%	0.292	C	S	.	.	S	Bend	trans	-89.2	158.9	173.4	61.9	0	0	0	0	112.6	Y479 T517 N518	Y479-S494 WeakPolarHBondContact OH-CA 3.21Å; S494-T517 PolarHBondContact OG-OG1 2.99Å; S494-N518 PolarHBondContact N-OD1 3.12Å; S494-N518 PolarHBondContact O-ND2 3.4Å; S494-N518 PolarHBondContact O-OD1 3.2Å; S494-N518 PolarHBondContact OG-OD1 3.02Å
495	G	88.4	Confident	83.2	Confident	33 Å²	33	56.5 Å²	56.5	34%	0.34	32%	0.316	S	S	.	.			trans	92.8	-163.2	177.1	0	0	0	0	0	112.8	Y479 R497 Q508 Q512	Y479-G495 PolarHBondContact OH-N 2.87Å; G495-R497 VanDerWaalsContact C-N 3.27Å; G495-Q508 PolarHBondContact O-NE2 2.76Å; G495-Q508 VanDerWaalsContact O-NE2 3.11Å; G495-Q508 PolarHBondContact O-OE1 3.48Å; G495-Q512 PolarHBondContact O-NE2 3.1Å; G495-Q512 VanDerWaalsContact O-NE2 3.08Å
496	G	84.8	Confident	82.3	Confident	10 Å²	10	53.8 Å²	53.8	10%	0.103	31%	0.308	C	S	.	.			trans	69.2	28.4	-169.6	0	0	0	0	0	112.6	Q508 S509 C510	G496-Q508 CarbonylContact O-C 3.53Å; G496-Q508 VanDerWaalsContact O-CA 3.26Å; G496-Q508 WeakPolarHBondContact O-CA 3.16Å; G496-S509 PolarHBondContact O-N 2.98Å; G496-C510 CarbonylContact C-O 3.49Å; G496-C510 VanDerWaalsContact C-SG 3.57Å; G496-C510 WeakPolarHBondContact CA-O 3.32Å; G496-C510 PolarHBondContact O-N 2.97Å
497	R	83.6	Confident	81.6	Confident	34 Å²	34	61.8 Å²	61.8	13%	0.128	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-135.7	136.3	-171.5	-69	177.7	177.2	-162	-12.4	110	G478 Y479 G495 L499 A506	G478-R497 PolarHBondContact O-NH1 3.32Å; G478-R497 PolarHBondContact O-NH2 2.91Å; Y479-R497 PolarHBondContact OH-NE 3.25Å; G495-R497 VanDerWaalsContact C-N 3.27Å; R497-L499 HydrophobicContact CB-CD2 4.21Å; R497-L499 HydrophobicContact CB-CG 4.36Å; R497-L499 PolarHBondContact O-N 3.28Å; R497-A506 HydrophobicContact CB-CB 4.26Å; R497-A506 WeakPolarHBondContact CD-O 3.49Å; R497-A506 PolarHBondContact NE-O 2.9Å; R497-A506 PolarHBondContact NH1-O 3.45Å
498	D	78.1	Confident	80.9	Confident	85 Å²	85	58.2 Å²	58.2	46%	0.455	33%	0.326	S	S	.	.			trans	-80.3	109	167.1	-179.3	17.7	0	0	0	110.6	S500 A506 S509	D498-S500 VanDerWaalsContact CG-OG 3.25Å; D498-S500 WeakPolarHBondContact OD1-CB 3.48Å; D498-S500 PolarHBondContact OD1-N 2.72Å; D498-S500 PolarHBondContact OD1-OG 3.45Å; D498-S500 PolarHBondContact OD2-OG 3.37Å; D498-A506 VanDerWaalsContact O-CB 3.31Å; D498-A506 WeakPolarHBondContact O-CB 3.15Å; D498-S509 PolarHBondContact N-OG 3.14Å
499	L	74.8	Confident	80.3	Confident	78 Å²	78	56.7 Å²	56.7	41%	0.408	33%	0.327	S	S	.	.			trans	-101.2	14.6	178	-58.5	-178.9	0	0	0	113	R497 K503 A506	R497-L499 HydrophobicContact CB-CD2 4.21Å; R497-L499 HydrophobicContact CB-CG 4.36Å; R497-L499 PolarHBondContact O-N 3.28Å; L499-K503 HydrophobicContact CD2-CB 4.27Å; L499-K503 PolarHBondContact O-N 2.99Å; L499-A506 HydrophobicContact CD2-CB 4.03Å
500	S	62.7	Low	79.9	Confident	67 Å²	67	59.6 Å²	59.6	47%	0.469	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	148.5	172.9	67.6	0	0	0	0	111.9	D498 K503	D498-S500 VanDerWaalsContact CG-OG 3.25Å; D498-S500 WeakPolarHBondContact OD1-CB 3.48Å; D498-S500 PolarHBondContact OD1-N 2.72Å; D498-S500 PolarHBondContact OD1-OG 3.45Å; D498-S500 PolarHBondContact OD2-OG 3.37Å; S500-K503 WeakPolarHBondContact O-CD 3.23Å; S500-K503 WeakPolarHBondContact O-CG 3.39Å
501	G	60.3	Low	79.7	Confident	76 Å²	76	63.1 Å²	63.1	78%	0.784	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	33.9	-175.9	0	0	0	0	0	113.9	K503	G501-K503 VanDerWaalsContact C-N 3.26Å; G501-K503 PolarHBondContact O-N 3.28Å
502	N	60	Low	79.4	Confident	128 Å²	128	63 Å²	63	68%	0.684	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	31.9	175.2	-164.2	23.3	0	0	0	113.7	R504	N502-R504 PolarHBondContact O-NH1 2.82Å; N502-R504 VanDerWaalsContact O-NH1 3.1Å; N502-R504 VanDerWaalsContact OD1-CZ 3.26Å; N502-R504 PolarHBondContact OD1-NH1 3.1Å; N502-R504 PolarHBondContact OD1-NH2 2.75Å
503	K	59.1	Low	79.2	Confident	107 Å²	107	70.1 Å²	70.1	47%	0.465	40%	0.395	S	S	.	.			trans	-74.1	157.9	175.3	-66.4	174.1	-172.2	166.6	0	110.2	L499 S500 G501	L499-K503 HydrophobicContact CD2-CB 4.27Å; L499-K503 PolarHBondContact O-N 2.99Å; S500-K503 WeakPolarHBondContact O-CD 3.23Å; S500-K503 WeakPolarHBondContact O-CG 3.39Å; G501-K503 VanDerWaalsContact C-N 3.26Å; G501-K503 PolarHBondContact O-N 3.28Å
504	R	66.7	Low	79.3	Confident	147 Å²	147	71 Å²	71	56%	0.555	40%	0.4	S	S	*	.	S	Bend	trans	-112.5	-20.5	173.4	-65.2	-65.4	175.6	-84.3	-2.5	112.7	V459 N502	V459-R504 HydrophobicContact CG1-CB 4.13Å; N502-R504 PolarHBondContact O-NH1 2.82Å; N502-R504 VanDerWaalsContact O-NH1 3.1Å; N502-R504 VanDerWaalsContact OD1-CZ 3.26Å; N502-R504 PolarHBondContact OD1-NH1 3.1Å; N502-R504 PolarHBondContact OD1-NH2 2.75Å
505	T	72.6	Confident	79.3	Confident	99 Å²	99	72.7 Å²	72.7	61%	0.607	41%	0.408	S	S	*	.			trans	-145.9	144.8	177.4	55.9	0	0	0	0	108.4
506	A	77.9	Confident	79.5	Confident	27 Å²	27	76.3 Å²	76.3	22%	0.223	42%	0.42	C	S	.	.			trans	-147.2	172.7	170.3	0	0	0	0	0	108.2	R497 D498 L499	R497-A506 HydrophobicContact CB-CB 4.26Å; R497-A506 WeakPolarHBondContact CD-O 3.49Å; R497-A506 PolarHBondContact NE-O 2.9Å; R497-A506 PolarHBondContact NH1-O 3.45Å; D498-A506 VanDerWaalsContact O-CB 3.31Å; D498-A506 WeakPolarHBondContact O-CB 3.15Å; L499-A506 HydrophobicContact CD2-CB 4.03Å
507	E	79.9	Confident	79.8	Confident	169 Å²	169	77.5 Å²	77.5	79%	0.79	43%	0.425	S	S	*	.			trans	-73.4	162.3	168.5	-65.2	-179.8	170.2	0	0	110.3	S509	E507-S509 PolarHBondContact O-N 2.98Å
508	Q	82.3	Confident	80.3	Confident	12 Å²	12	76 Å²	76	6%	0.056	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-64.6	130.5	176.7	-60.3	-58.3	101.5	0	0	110.2	G495 G496 S584 F586	G495-Q508 PolarHBondContact O-NE2 2.76Å; G495-Q508 VanDerWaalsContact O-NE2 3.11Å; G495-Q508 PolarHBondContact O-OE1 3.48Å; G496-Q508 CarbonylContact O-C 3.53Å; G496-Q508 VanDerWaalsContact O-CA 3.26Å; G496-Q508 WeakPolarHBondContact O-CA 3.16Å; Q508-S584 WeakPolarHBondContact CB-OG 3.34Å; Q508-S584 WeakPolarHBondContact CG-OG 3.49Å; Q508-F586 HydrophobicContact CB-CD2 4Å; Q508-F586 WeakPolarHBondContact O-CE2 3.3Å
509	S	86.3	Confident	81.2	Confident	57 Å²	57	75.6 Å²	75.6	40%	0.399	41%	0.412	S	S	.	.			trans	-133.1	-7.4	-178.9	64.5	0	0	0	0	113.7	G496 D498 E507 F586	G496-S509 PolarHBondContact O-N 2.98Å; D498-S509 PolarHBondContact N-OG 3.14Å; E507-S509 PolarHBondContact O-N 2.98Å; S509-F586 WeakPolarHBondContact O-CE1 3.34Å; S509-F586 WeakPolarHBondContact O-CZ 3.25Å
510	C	89.9	Confident	82.2	Confident	61 Å²	61	71.9 Å²	71.9	41%	0.412	39%	0.392	S	S	.	.	S	Bend	trans	-157.7	167.2	175	56.5	0	0	0	0	111.2	G496	G496-C510 CarbonylContact C-O 3.49Å; G496-C510 VanDerWaalsContact C-SG 3.57Å; G496-C510 WeakPolarHBondContact CA-O 3.32Å; G496-C510 PolarHBondContact O-N 2.97Å
511	D	92.9	Very high	83.8	Confident	94 Å²	94	68.7 Å²	68.7	50%	0.503	37%	0.37	S	S	.	.			trans	-64.1	136.4	179.3	-68.3	-16.7	0	0	0	111.8	L587	D511-L587 HydrophobicContact CB-CB 3.92Å; D511-L587 PolarHBondContact OD1-N 2.87Å
512	Q	91.9	Very high	85.6	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.028	33%	0.333	C	S	.	.			trans	-71	151.2	171	-65.2	-168.4	-16.6	0	0	111	G493 G495 L587 V588	G493-Q512 PolarHBondContact O-NE2 3.28Å; G493-Q512 PolarHBondContact O-OE1 2.99Å; G495-Q512 PolarHBondContact O-NE2 3.1Å; G495-Q512 VanDerWaalsContact O-NE2 3.08Å; Q512-L587 PolarHBondContact N-O 2.81Å; Q512-L587 WeakPolarHBondContact O-CD2 3.24Å; Q512-V588 HydrophobicContact CG-CG1 4.32Å
513	K	91.6	Very high	87.4	Confident	150 Å²	150	61.1 Å²	61.1	65%	0.652	31%	0.312	S	S	*	.			trans	-115.4	150	177.1	-61.1	-177.3	-179.9	-179.1	0	110.4	T515 N518	K513-T515 HydrophobicContact CB-CG2 4.18Å; K513-T515 PolarHBondContact O-N 2.82Å; K513-N518 PolarHBondContact O-ND2 2.65Å
514	L	93.6	Very high	89.3	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.099	29%	0.29	C	S	.	.	S	Bend	trans	-81.5	62.3	172	-163.9	68	0	0	0	110.9	N518 A522 I529 D531 Y577 W589 Y591	L514-N518 HydrophobicContact CD1-CB 4.25Å; L514-A522 HydrophobicContact CD1-CB 3.93Å; L514-A522 HydrophobicContact CD2-CB 4.47Å; L514-I529 HydrophobicContact CD2-CD1 4.25Å; L514-D531 HydrophobicContact CD2-CB 4.02Å; L514-Y577 HydrophobicContact CD1-CD2 4.49Å; L514-Y577 HydrophobicContact CD1-CE2 4.45Å; L514-Y577 HydrophobicContact CD2-CE2 3.94Å; L514-W589 HydrophobicContact CB-CD2 4.23Å; L514-W589 HydrophobicContact CB-CH2 4.24Å; L514-W589 HydrophobicContact CB-CZ2 3.67Å; L514-W589 HydrophobicContact CD1-CD2 3.76Å; L514-W589 HydrophobicContact CD1-CE3 3.8Å; L514-W589 HydrophobicContact CD1-CG 4.24Å; L514-W589 HydrophobicContact CD1-CH2 4.42Å; L514-W589 HydrophobicContact CD1-CZ2 4.41Å; L514-W589 HydrophobicContact CD1-CZ3 4.13Å; L514-W589 HydrophobicContact CD2-CH2 3.95Å; L514-W589 HydrophobicContact CD2-CZ2 4.25Å; L514-W589 HydrophobicContact CD2-CZ3 4.18Å; L514-W589 HydrophobicContact CG-CH2 4.43Å; L514-W589 HydrophobicContact CG-CZ2 4.32Å; L514-Y591 WeakPolarHBondContact CD1-OH 3.47Å
515	T	88.9	Confident	90.8	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.411	27%	0.265	S	S	.	.			trans	-126.5	170	179.3	57.7	0	0	0	0	110.2	K513 T517 N518 R519	K513-T515 HydrophobicContact CB-CG2 4.18Å; K513-T515 PolarHBondContact O-N 2.82Å; T515-T517 PolarHBondContact O-N 2.94Å; T515-N518 WeakPolarHBondContact O-CB 3.14Å; T515-N518 PolarHBondContact O-N 2.99Å; T515-R519 PolarHBondContact O-N 2.77Å
516	N	91.3	Very high	92	Very high	110 Å²	110	50.1 Å²	50.1	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	52.7	-123	171.9	-55.6	-11.5	0	0	0	112.5	S466 N518 R519 A520	S466-N516 WeakPolarHBondContact CA-O 3.12Å; S466-N516 WeakPolarHBondContact CB-O 3.19Å; N516-N518 VanDerWaalsContact C-N 3.32Å; N516-N518 PolarHBondContact O-N 3.17Å; N516-R519 PolarHBondContact O-N 2.91Å; N516-A520 WeakPolarHBondContact O-CB 3.48Å; N516-A520 PolarHBondContact O-N 3Å
517	T	91.1	Very high	92.8	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-29.1	178.8	41.4	0	0	0	0	113.8	I462 S494 T515 L521	I462-T517 HydrophobicContact CB-CG2 4.18Å; I462-T517 HydrophobicContact CG2-CG2 4.23Å; S494-T517 PolarHBondContact OG-OG1 2.99Å; T515-T517 PolarHBondContact O-N 2.94Å; T517-L521 PolarHBondContact O-N 3.14Å
518	N	94.9	Very high	93.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-70.4	-47.1	176.4	-64.8	-8	0	0	0	109.8	G493 S494 K513 L514 T515 N516 A520 L521 A522 Y591	G493-N518 WeakPolarHBondContact CA-OD1 3.35Å; S494-N518 PolarHBondContact N-OD1 3.12Å; S494-N518 PolarHBondContact O-ND2 3.4Å; S494-N518 PolarHBondContact O-OD1 3.2Å; S494-N518 PolarHBondContact OG-OD1 3.02Å; K513-N518 PolarHBondContact O-ND2 2.65Å; L514-N518 HydrophobicContact CD1-CB 4.25Å; T515-N518 WeakPolarHBondContact O-CB 3.14Å; T515-N518 PolarHBondContact O-N 2.99Å; N516-N518 VanDerWaalsContact C-N 3.32Å; N516-N518 PolarHBondContact O-N 3.17Å; N518-A520 VanDerWaalsContact C-N 3.33Å; N518-A520 PolarHBondContact O-N 3.27Å; N518-L521 PolarHBondContact O-N 3.46Å; N518-A522 PolarHBondContact O-N 2.93Å; N518-Y591 WeakPolarHBondContact CA-OH 3.4Å; N518-Y591 VanDerWaalsContact CB-OH 3.3Å; N518-Y591 WeakPolarHBondContact CB-OH 3.3Å; N518-Y591 PolarHBondContact O-OH 3.47Å
519	R	96.1	Very high	94.1	Very high	76 Å²	76	50.1 Å²	50.1	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-43.7	173.4	-168.6	-178.3	-172	-86.8	4.6	111.5	S466 T515 N516 L521 A522 L523	S466-R519 PolarHBondContact O-NH1 3.44Å; T515-R519 PolarHBondContact O-N 2.77Å; N516-R519 PolarHBondContact O-N 2.91Å; R519-L521 VanDerWaalsContact C-N 3.33Å; R519-L521 PolarHBondContact O-N 3.5Å; R519-A522 PolarHBondContact O-N 2.73Å; R519-L523 WeakPolarHBondContact O-CG 3.27Å; R519-L523 PolarHBondContact O-N 3.3Å
520	A	95.5	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.2	-49.6	175.8	0	0	0	0	0	111.2	R465 G469 A470 N516 N518 A522 L523 N524	R465-A520 VanDerWaalsContact O-CB 3.25Å; R465-A520 WeakPolarHBondContact O-CB 3.35Å; G469-A520 CarbonylContact C-O 3.54Å; G469-A520 WeakPolarHBondContact CA-O 3.42Å; A470-A520 HydrophobicContact CB-CB 4.41Å; A470-A520 PolarHBondContact N-O 3.04Å; A470-A520 VanDerWaalsContact N-O 3.14Å; N516-A520 WeakPolarHBondContact O-CB 3.48Å; N516-A520 PolarHBondContact O-N 3Å; N518-A520 VanDerWaalsContact C-N 3.33Å; N518-A520 PolarHBondContact O-N 3.27Å; A520-A522 VanDerWaalsContact C-N 3.34Å; A520-A522 PolarHBondContact O-N 2.98Å; A520-L523 PolarHBondContact O-N 2.75Å; A520-N524 PolarHBondContact O-OD1 2.87Å
521	L	98.1	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-33.9	179.6	-172.7	59.3	0	0	0	112.7	I462 A470 L473 Y491 T517 N518 R519 N524 V546 V574 Y591	I462-L521 HydrophobicContact CD1-CB 4.44Å; I462-L521 HydrophobicContact CD1-CD2 3.97Å; I462-L521 HydrophobicContact CG1-CD2 4.5Å; A470-L521 HydrophobicContact CB-CB 4.04Å; A470-L521 HydrophobicContact CB-CD1 3.8Å; L473-L521 HydrophobicContact CD2-CD1 4.19Å; L473-L521 HydrophobicContact CD2-CD2 4.16Å; Y491-L521 HydrophobicContact CD1-CD2 4.02Å; T517-L521 PolarHBondContact O-N 3.14Å; N518-L521 PolarHBondContact O-N 3.46Å; R519-L521 VanDerWaalsContact C-N 3.33Å; R519-L521 PolarHBondContact O-N 3.5Å; L521-N524 WeakPolarHBondContact O-CB 3.42Å; L521-N524 PolarHBondContact O-N 2.94Å; L521-V546 HydrophobicContact CD1-CG2 4.07Å; L521-V574 HydrophobicContact CD1-CG2 3.84Å; L521-V574 HydrophobicContact CG-CG2 4.27Å; L521-Y591 HydrophobicContact CB-CD1 4.19Å; L521-Y591 HydrophobicContact CB-CE1 3.96Å; L521-Y591 HydrophobicContact CD2-CD1 3.77Å; L521-Y591 HydrophobicContact CD2-CD2 3.79Å; L521-Y591 HydrophobicContact CD2-CE1 4.16Å; L521-Y591 HydrophobicContact CD2-CE2 4.2Å; L521-Y591 HydrophobicContact CD2-CG 3.59Å; L521-Y591 HydrophobicContact CG-CD1 3.67Å; L521-Y591 HydrophobicContact CG-CE1 3.98Å; L521-Y591 HydrophobicContact CG-CG 4.02Å
522	A	97.9	Very high	94	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-37.1	174.8	0	0	0	0	0	112.8	L514 N518 R519 A520 N524 C525 I529 Y577 Y591	L514-A522 HydrophobicContact CD1-CB 3.93Å; L514-A522 HydrophobicContact CD2-CB 4.47Å; N518-A522 PolarHBondContact O-N 2.93Å; R519-A522 PolarHBondContact O-N 2.73Å; A520-A522 VanDerWaalsContact C-N 3.34Å; A520-A522 PolarHBondContact O-N 2.98Å; A522-N524 PolarHBondContact O-N 2.81Å; A522-N524 VanDerWaalsContact O-N 3.17Å; A522-C525 WeakPolarHBondContact O-CB 3.37Å; A522-C525 PolarHBondContact O-N 2.96Å; A522-I529 HydrophobicContact CB-CD1 3.45Å; A522-I529 VanDerWaalsContact CB-CD1 3.45Å; A522-Y577 HydrophobicContact CB-CD1 4.03Å; A522-Y577 HydrophobicContact CB-CD2 3.84Å; A522-Y577 HydrophobicContact CB-CE1 3.89Å; A522-Y577 HydrophobicContact CB-CE2 3.7Å; A522-Y577 HydrophobicContact CB-CG 4.03Å; A522-Y591 HydrophobicContact CB-CE1 4.04Å
523	L	97.4	Very high	94	Very high	44 Å²	44	61.2 Å²	61.2	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-17.9	175.9	-72.9	178.4	0	0	0	114	S466 R519 A520 C525 I529	S466-L523 WeakPolarHBondContact O-CD1 3.25Å; R519-L523 WeakPolarHBondContact O-CG 3.27Å; R519-L523 PolarHBondContact O-N 3.3Å; A520-L523 PolarHBondContact O-N 2.75Å; L523-C525 PolarHBondContact O-N 3.49Å; L523-I529 HydrophobicContact CD2-CB 4.26Å; L523-I529 HydrophobicContact CD2-CD1 4.16Å; L523-I529 HydrophobicContact CD2-CG1 4.45Å; L523-I529 HydrophobicContact CG-CD1 4.47Å
524	N	98.3	Very high	94.3	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.6	172.8	-68.9	64.6	0	0	0	112.9	A470 A520 L521 A522 G543 K544 V546 V574	A470-N524 PolarHBondContact N-OD1 3.39Å; A470-N524 PolarHBondContact O-ND2 2.8Å; A470-N524 PolarHBondContact O-OD1 2.84Å; A520-N524 PolarHBondContact O-OD1 2.87Å; L521-N524 WeakPolarHBondContact O-CB 3.42Å; L521-N524 PolarHBondContact O-N 2.94Å; A522-N524 PolarHBondContact O-N 2.81Å; A522-N524 VanDerWaalsContact O-N 3.17Å; N524-G543 CarbonylContact O-C 3.59Å; N524-G543 WeakPolarHBondContact O-CA 3.16Å; N524-K544 HydrophobicContact CB-CB 4.15Å; N524-K544 WeakPolarHBondContact ND2-CB 3.33Å; N524-K544 PolarHBondContact ND2-O 2.71Å; N524-K544 PolarHBondContact O-N 3.42Å; N524-V546 HydrophobicContact CB-CG2 4.29Å; N524-V546 WeakPolarHBondContact ND2-CG2 3.27Å; N524-V574 HydrophobicContact CB-CB 4.3Å; N524-V574 HydrophobicContact CB-CG2 3.79Å
525	C	98.2	Very high	94.4	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.041	29%	0.289	C	S	.	.	S	Bend	trans	-66.1	132.1	175.7	-166.8	0	0	0	0	109.1	A522 L523 A527 V574 Y577	A522-C525 WeakPolarHBondContact O-CB 3.37Å; A522-C525 PolarHBondContact O-N 2.96Å; L523-C525 PolarHBondContact O-N 3.49Å; C525-A527 PolarHBondContact O-N 2.91Å; C525-V574 HydrophobicContact CB-CB 4.19Å; C525-V574 HydrophobicContact CB-CG1 3.83Å; C525-Y577 HydrophobicContact CB-CD1 3.87Å; C525-Y577 HydrophobicContact CB-CE1 3.94Å
526	F	97.4	Very high	94.9	Very high	115 Å²	115	57.1 Å²	57.1	50%	0.504	30%	0.297	S	S	.	.	S	Bend	trans	-78.4	60.6	174.9	-166.3	-109.7	0	0	0	111.2	A537 D539 S542	F526-A537 HydrophobicContact CB-CB 4.06Å; F526-A537 WeakPolarHBondContact O-CB 3.1Å; F526-D539 HydrophobicContact CD1-CB 4.34Å; F526-S542 WeakPolarHBondContact CD2-O 3.47Å
527	A	95.6	Very high	95.1	Very high	26 Å²	26	52.2 Å²	52.2	22%	0.215	27%	0.272	C	S	.	.	S	Bend	trans	-150.8	150.9	176.8	0	0	0	0	0	108.9	C525 I529 A535	C525-A527 PolarHBondContact O-N 2.91Å; A527-I529 PolarHBondContact O-N 2.92Å; A527-A535 HydrophobicContact CB-CB 3.75Å
528	P	94.4	Very high	95.3	Very high	117 Å²	117	60.8 Å²	60.8	76%	0.76	31%	0.306	S	S	*	.			trans	-55	138.7	172.4	-24.7	34.6	0	0	0	111.5	N530	P528-N530 PolarHBondContact O-N 3.02Å
529	I	94	Very high	95.3	Very high	65 Å²	65	64.3 Å²	64.3	33%	0.333	33%	0.325	S	S	.	.			trans	-63.1	127.1	178.3	-164.3	76.9	0	0	0	110	L514 A522 L523 A527	L514-I529 HydrophobicContact CD2-CD1 4.25Å; A522-I529 HydrophobicContact CB-CD1 3.45Å; A522-I529 VanDerWaalsContact CB-CD1 3.45Å; L523-I529 HydrophobicContact CD2-CB 4.26Å; L523-I529 HydrophobicContact CD2-CD1 4.16Å; L523-I529 HydrophobicContact CD2-CG1 4.45Å; L523-I529 HydrophobicContact CG-CD1 4.47Å; A527-I529 PolarHBondContact O-N 2.92Å
530	N	93.3	Very high	95.4	Very high	56 Å²	56	62.3 Å²	62.3	30%	0.299	32%	0.317	S	S	.	.			trans	-129.2	123.9	172.3	-179.8	-23.6	0	0	0	108.5	P528 Q532 E533 G534 Y577	P528-N530 PolarHBondContact O-N 3.02Å; N530-Q532 PolarHBondContact OD1-N 3.12Å; N530-E533 PolarHBondContact OD1-N 2.94Å; N530-E533 VanDerWaalsContact OD1-N 3.14Å; N530-G534 WeakPolarHBondContact CB-O 3.38Å; N530-G534 WeakPolarHBondContact O-CA 3.44Å; N530-Y577 PolarHBondContact N-OH 2.89Å; N530-Y577 WeakPolarHBondContact O-CE2 3.36Å; N530-Y577 PolarHBondContact O-OH 3.13Å
531	D	87.2	Confident	95.5	Very high	102 Å²	102	69.3 Å²	69.3	55%	0.545	34%	0.344	S	S	.	.	S	Bend	trans	-97.4	-5.6	-173.4	63.8	-19.6	0	0	0	114.3	L514 W589	L514-D531 HydrophobicContact CD2-CB 4.02Å; D531-W589 WeakPolarHBondContact O-CH2 3.28Å; D531-W589 VanDerWaalsContact O-CZ2 3.3Å; D531-W589 WeakPolarHBondContact O-CZ2 3.28Å
532	Q	87.5	Confident	95.4	Very high	139 Å²	139	72.2 Å²	72.2	65%	0.65	36%	0.364	S	S	*	.	S	Bend	trans	-99.5	-52.6	179.2	-59	-57	-42.2	0	0	111.9	N530 P579	N530-Q532 PolarHBondContact OD1-N 3.12Å; Q532-P579 VanDerWaalsContact O-CG 3.29Å; Q532-P579 WeakPolarHBondContact O-CG 3.49Å
533	E	92.6	Very high	95.3	Very high	154 Å²	154	72.5 Å²	72.5	72%	0.72	37%	0.367	S	S	*	.	S	Bend	trans	-108.9	-14	-172.8	-62.7	-178.7	174.8	0	0	112.4	N530 P579	N530-E533 PolarHBondContact OD1-N 2.94Å; N530-E533 VanDerWaalsContact OD1-N 3.14Å; E533-P579 WeakPolarHBondContact O-CD 3.29Å
534	G	96.3	Very high	95.3	Very high	9 Å²	9	74 Å²	74	9%	0.093	37%	0.372	C	S	.	.			trans	78.2	-167.5	-166.8	0	0	0	0	0	112.7	N530 Y577	N530-G534 WeakPolarHBondContact CB-O 3.38Å; N530-G534 WeakPolarHBondContact O-CA 3.44Å; G534-Y577 CarbonylContact C-O 3.57Å; G534-Y577 VanDerWaalsContact CA-CE2 3.42Å; G534-Y577 VanDerWaalsContact CA-O 3.24Å; G534-Y577 WeakPolarHBondContact CA-O 3.45Å
535	A	97.6	Very high	95.3	Very high	19 Å²	19	75.6 Å²	75.6	16%	0.157	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.5	-177.4	0	0	0	0	0	112.6	A527 K576 Y577	A527-A535 HydrophobicContact CB-CB 3.75Å; A535-K576 CarbonylContact O-C 3.48Å; A535-K576 WeakPolarHBondContact O-CA 3.44Å; A535-K576 WeakPolarHBondContact O-CB 3.43Å; A535-Y577 HydrophobicContact CB-CD1 4.47Å; A535-Y577 HydrophobicContact CB-CE1 3.62Å; A535-Y577 PolarHBondContact N-O 2.97Å; A535-Y577 PolarHBondContact O-N 3.34Å
536	E	98.1	Very high	95.4	Very high	122 Å²	122	75.3 Å²	75.3	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.4	176.4	177.5	158.7	-155	0	0	110.3	K576	E536-K576 HydrophobicContact CB-CB 3.69Å; E536-K576 HydrophobicContact CB-CD 4.41Å; E536-K576 HydrophobicContact CG-CB 3.89Å; E536-K576 HydrophobicContact CG-CD 4.23Å
537	A	96.8	Very high	95.4	Very high	7 Å²	7	69.9 Å²	69.9	6%	0.058	36%	0.356	C	S	.	.			trans	-78.7	124.5	179.5	0	0	0	0	0	110.6	F526 D539 W540 V575	F526-A537 HydrophobicContact CB-CB 4.06Å; F526-A537 WeakPolarHBondContact O-CB 3.1Å; A537-D539 VanDerWaalsContact C-N 3.34Å; A537-W540 HydrophobicContact CB-CB 4.12Å; A537-V575 WeakPolarHBondContact CB-O 3.4Å; A537-V575 PolarHBondContact N-O 2.92Å
538	K	94.3	Very high	95.6	Very high	214 Å²	214	68.6 Å²	68.6	93%	0.93	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-41.3	171.9	-66.3	-177	-179.5	179	0	111.4
539	D	95.7	Very high	95.8	Very high	77 Å²	77	63 Å²	63	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	76.3	173.8	-178.6	23.2	0	0	0	110.3	F526 A537 R541 S542	F526-D539 HydrophobicContact CD1-CB 4.34Å; A537-D539 VanDerWaalsContact C-N 3.34Å; D539-R541 PolarHBondContact O-N 3.44Å; D539-R541 VanDerWaalsContact O-N 3.1Å; D539-S542 PolarHBondContact O-N 3.19Å; D539-S542 WeakPolarHBondContact OD2-CB 3.34Å; D539-S542 PolarHBondContact OD2-OG 3.44Å
540	W	97.3	Very high	96	Very high	35 Å²	35	60 Å²	60	13%	0.133	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.6	-176.3	69.4	-86.3	0	0	0	114.1	A537 S542 G543 K573 V575 R594 D596	A537-W540 HydrophobicContact CB-CB 4.12Å; W540-S542 VanDerWaalsContact C-N 3.27Å; W540-S542 PolarHBondContact O-N 3.18Å; W540-G543 PolarHBondContact O-N 3.37Å; W540-K573 HydrophobicContact CE3-CB 3.98Å; W540-K573 HydrophobicContact CZ3-CB 4.2Å; W540-V575 HydrophobicContact CB-CB 4.21Å; W540-V575 HydrophobicContact CB-CG1 4.17Å; W540-V575 HydrophobicContact CB-CG2 4.01Å; W540-V575 HydrophobicContact CD2-CG2 4.01Å; W540-V575 HydrophobicContact CE3-CG2 4.02Å; W540-V575 HydrophobicContact CG-CG1 4.45Å; W540-V575 HydrophobicContact CG-CG2 4Å; W540-R594 HydrophobicContact CE3-CB 4.15Å; W540-R594 HydrophobicContact CH2-CB 4.1Å; W540-R594 HydrophobicContact CH2-CG 3.74Å; W540-R594 HydrophobicContact CZ2-CG 4.16Å; W540-R594 HydrophobicContact CZ3-CB 3.8Å; W540-R594 HydrophobicContact CZ3-CG 3.98Å; W540-D596 HydrophobicContact CH2-CB 4.08Å; W540-D596 HydrophobicContact CZ3-CB 3.89Å
541	R	96.8	Very high	96.1	Very high	146 Å²	146	58 Å²	58	55%	0.551	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-72.9	-20.4	177.2	-71.3	-173.3	176.8	163.5	-2.5	112.5	D539 G543 K573 D596	D539-R541 PolarHBondContact O-N 3.44Å; D539-R541 VanDerWaalsContact O-N 3.1Å; R541-G543 PolarHBondContact O-N 3.2Å; R541-K573 VanDerWaalsContact O-CD 3.31Å; R541-K573 WeakPolarHBondContact O-CD 3.12Å; R541-K573 WeakPolarHBondContact O-CE 3.41Å; R541-K573 PolarHBondContact O-NZ 2.89Å; R541-D596 IonicContact NE-OD1 3.53Å
542	S	96.4	Very high	96.5	Very high	62 Å²	62	55.7 Å²	55.7	43%	0.434	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-78.1	-1.9	171.8	-69	0	0	0	0	113.3	F526 D539 W540	F526-S542 WeakPolarHBondContact CD2-O 3.47Å; D539-S542 PolarHBondContact O-N 3.19Å; D539-S542 WeakPolarHBondContact OD2-CB 3.34Å; D539-S542 PolarHBondContact OD2-OG 3.44Å; W540-S542 VanDerWaalsContact C-N 3.27Å; W540-S542 PolarHBondContact O-N 3.18Å
543	G	96.4	Very high	96.7	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	27%	0.273	C	S	.	.	S	Bend	trans	-70.1	157.4	177.4	0	0	0	0	0	113.9	N524 W540 R541 K573	N524-G543 CarbonylContact O-C 3.59Å; N524-G543 WeakPolarHBondContact O-CA 3.16Å; W540-G543 PolarHBondContact O-N 3.37Å; R541-G543 PolarHBondContact O-N 3.2Å; G543-K573 VanDerWaalsContact O-CD 3.3Å; G543-K573 WeakPolarHBondContact O-CD 3.42Å; G543-K573 WeakPolarHBondContact O-CE 3.3Å
544	K	97.9	Very high	96.5	Very high	77 Å²	77	49.4 Å²	49.4	34%	0.335	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-68	133.1	179.3	-60	-175.4	175.8	-170.8	0	110.6	Y431 D468 N524	Y431-K544 HydrophobicContact CD1-CB 4.18Å; Y431-K544 HydrophobicContact CE1-CB 3.98Å; Y431-K544 HydrophobicContact CE1-CD 3.89Å; Y431-K544 HydrophobicContact CE2-CD 4.39Å; D468-K544 PolarHBondContact O-NZ 2.99Å; D468-K544 IonicContact OD1-NZ 3.77Å; D468-K544 PolarHBondContact OD1-NZ 2.95Å; N524-K544 HydrophobicContact CB-CB 4.15Å; N524-K544 WeakPolarHBondContact ND2-CB 3.33Å; N524-K544 PolarHBondContact ND2-O 2.71Å; N524-K544 PolarHBondContact O-N 3.42Å
545	P	98.3	Very high	96.1	Very high	33 Å²	33	51 Å²	51	21%	0.214	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.9	140.3	-175.5	29.7	-35.3	0	0	0	112.5	I571	P545-I571 HydrophobicContact CB-CG2 3.35Å
546	V	98.7	Very high	95.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.7	177	-176.3	0	0	0	0	109.1	L473 L521 N524 V548 Y572 L593	L473-V546 HydrophobicContact CB-CG1 4.43Å; L473-V546 HydrophobicContact CD2-CG1 3.97Å; L473-V546 HydrophobicContact CG-CG1 3.85Å; L521-V546 HydrophobicContact CD1-CG2 4.07Å; N524-V546 HydrophobicContact CB-CG2 4.29Å; N524-V546 WeakPolarHBondContact ND2-CG2 3.27Å; V546-V548 PolarHBondContact O-N 2.68Å; V546-Y572 PolarHBondContact N-O 2.91Å; V546-Y572 PolarHBondContact O-N 2.9Å; V546-L593 HydrophobicContact CB-CD2 4.24Å; V546-L593 HydrophobicContact CG1-CD2 4.33Å; V546-L593 HydrophobicContact CG2-CD2 4.37Å
547	R	98.8	Very high	95	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.5	170.2	-64.2	179.9	-69.6	-77.7	5.8	109.8	H430 G432 V454 Y471 S472 L473 Y568 I571	H430-R547 PolarHBondContact O-NH1 3.17Å; H430-R547 PolarHBondContact O-NH2 3.18Å; G432-R547 WeakPolarHBondContact O-CD 3.15Å; G432-R547 WeakPolarHBondContact O-CG 3.14Å; G432-R547 PolarHBondContact O-NH1 3.12Å; V454-R547 PolarHBondContact O-NE 2.72Å; Y471-R547 PolarHBondContact O-N 2.82Å; S472-R547 CarbonylContact C-O 3.59Å; S472-R547 WeakPolarHBondContact CA-O 3.25Å; S472-R547 VanDerWaalsContact CB-O 3.27Å; S472-R547 WeakPolarHBondContact CB-O 3.36Å; L473-R547 PolarHBondContact N-O 3.4Å; R547-Y568 HydrophobicContact CB-CE2 3.81Å; R547-Y568 HydrophobicContact CG-CE2 4.07Å; R547-I571 HydrophobicContact CB-CD1 4.45Å; R547-I571 HydrophobicContact CG-CD1 3.71Å
548	V	98.8	Very high	94.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.3	-179.1	175.4	0	0	0	0	111.2	L473 L475 F489 V546 Y568 D569 G570 Y572	L473-V548 HydrophobicContact CD1-CB 4.48Å; L473-V548 HydrophobicContact CD1-CG1 4.12Å; L473-V548 HydrophobicContact CD1-CG2 4.02Å; L473-V548 HydrophobicContact CG-CG2 4.28Å; L475-V548 HydrophobicContact CD1-CG1 4.19Å; F489-V548 HydrophobicContact CE1-CG1 3.94Å; F489-V548 HydrophobicContact CE1-CG2 3.99Å; F489-V548 HydrophobicContact CZ-CG1 3.94Å; F489-V548 HydrophobicContact CZ-CG2 3.72Å; V546-V548 PolarHBondContact O-N 2.68Å; V548-Y568 WeakPolarHBondContact O-CD2 3.23Å; V548-D569 PolarHBondContact O-N 3.28Å; V548-G570 PolarHBondContact N-O 3.33Å; V548-Y572 HydrophobicContact CB-CD2 3.54Å; V548-Y572 HydrophobicContact CB-CE2 3.66Å; V548-Y572 HydrophobicContact CB-CG 4.36Å; V548-Y572 HydrophobicContact CG1-CD2 4.36Å; V548-Y572 HydrophobicContact CG1-CE2 4.16Å; V548-Y572 HydrophobicContact CG2-CD1 4.48Å; V548-Y572 HydrophobicContact CG2-CD2 3.21Å; V548-Y572 HydrophobicContact CG2-CE2 3.85Å; V548-Y572 HydrophobicContact CG2-CG 3.61Å
549	V	98.6	Very high	94.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.9	173	179.1	0	0	0	0	109.2	V449 V454 H455 L473 V474 L475 N566 R567	V449-V549 HydrophobicContact CG1-CG1 4.35Å; V449-V549 HydrophobicContact CG1-CG2 4.01Å; V454-V549 HydrophobicContact CG1-CG2 3.56Å; H455-V549 HydrophobicContact CB-CG2 4.31Å; L473-V549 PolarHBondContact O-N 2.82Å; V474-V549 CarbonylContact C-O 3.6Å; V474-V549 VanDerWaalsContact CA-O 3.28Å; V474-V549 WeakPolarHBondContact CA-O 3.34Å; V474-V549 HydrophobicContact CG1-CB 4.46Å; V474-V549 HydrophobicContact CG1-CG1 4.4Å; V474-V549 HydrophobicContact CG2-CB 4.22Å; L475-V549 PolarHBondContact N-O 3.46Å; V549-N566 HydrophobicContact CG1-CB 3.84Å; V549-R567 CarbonylContact C-O 3.55Å; V549-R567 WeakPolarHBondContact CA-O 3.49Å
550	R	98.3	Very high	94.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.5	170.2	-70.2	-166.5	175.1	75.2	2.5	110.3	L475 D484 G486 P562 N566 R567 D569 Y572 W603	L475-R550 HydrophobicContact CB-CG 4.15Å; L475-R550 HydrophobicContact CD1-CG 4Å; D484-R550 IonicContact OD1-CZ 3.94Å; D484-R550 IonicContact OD1-NE 3.28Å; D484-R550 PolarHBondContact OD1-NE 3Å; D484-R550 IonicContact OD1-NH2 3.79Å; D484-R550 PolarHBondContact OD1-NH2 3.34Å; D484-R550 IonicContact OD2-CZ 3.36Å; D484-R550 IonicContact OD2-NE 3.58Å; D484-R550 PolarHBondContact OD2-NE 3.01Å; D484-R550 IonicContact OD2-NH2 3.5Å; G486-R550 PolarHBondContact O-NH2 2.89Å; R550-P562 WeakPolarHBondContact O-CD 3.43Å; R550-P562 WeakPolarHBondContact O-CG 3.45Å; R550-N566 CarbonylContact O-C 3.4Å; R550-N566 WeakPolarHBondContact O-CA 3.1Å; R550-R567 PolarHBondContact N-O 2.93Å; R550-R567 PolarHBondContact O-N 2.87Å; R550-D569 WeakPolarHBondContact CD-OD2 3.27Å; R550-D569 WeakPolarHBondContact CG-OD2 3.03Å; R550-D569 IonicContact CZ-OD2 2.93Å; R550-D569 IonicContact NE-OD2 3.99Å; R550-D569 IonicContact NH1-OD2 2.56Å; R550-D569 PolarHBondContact NH1-OD2 3.25Å; R550-Y572 PolarHBondContact NH1-OH 3.33Å; R550-Y572 VanDerWaalsContact NH1-OH 3.12Å; R550-W603 VanDerWaalsContact NH1-CZ3 3.29Å
551	N	96.8	Very high	94.8	Very high	14 Å²	14	54.2 Å²	54.2	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.1	177.9	179.2	-85.5	0	0	0	111.1	V474 L475 A476 K553 G554 G565 N566	V474-N551 HydrophobicContact CG1-CB 4.21Å; L475-N551 PolarHBondContact O-N 3.35Å; A476-N551 HydrophobicContact CB-CB 3.98Å; N551-K553 PolarHBondContact O-N 3.44Å; N551-K553 VanDerWaalsContact OD1-CB 3.28Å; N551-K553 WeakPolarHBondContact OD1-CB 2.97Å; N551-K553 VanDerWaalsContact OD1-CG 3.29Å; N551-K553 WeakPolarHBondContact OD1-CG 2.91Å; N551-K553 PolarHBondContact OD1-N 3.44Å; N551-G554 PolarHBondContact O-N 2.88Å; N551-G565 WeakPolarHBondContact CA-O 3.29Å; N551-G565 PolarHBondContact ND2-O 3.04Å; N551-G565 VanDerWaalsContact ND2-O 3.15Å; N551-N566 PolarHBondContact ND2-OD1 2.78Å
552	V	95.5	Very high	94.8	Very high	54 Å²	54	47.7 Å²	47.7	33%	0.327	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-49.8	-32.6	178.2	62.6	0	0	0	0	114.2	G554 G555 P562 A563 G565	V552-G554 PolarHBondContact O-N 3.39Å; V552-G555 PolarHBondContact O-N 2.89Å; V552-P562 WeakPolarHBondContact CA-O 3.47Å; V552-A563 VanDerWaalsContact CG2-O 3.29Å; V552-A563 WeakPolarHBondContact CG2-O 3.32Å; V552-G565 PolarHBondContact N-O 3.1Å
553	K	90.8	Very high	94.6	Very high	152 Å²	152	49.8 Å²	49.8	66%	0.661	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.5	-25	178.2	-67.5	-178.5	-178	-175.3	0	113	A476 N551 G555	A476-K553 CarbonylContact O-C 3.5Å; A476-K553 WeakPolarHBondContact O-CB 3.35Å; N551-K553 PolarHBondContact O-N 3.44Å; N551-K553 VanDerWaalsContact OD1-CB 3.28Å; N551-K553 WeakPolarHBondContact OD1-CB 2.97Å; N551-K553 VanDerWaalsContact OD1-CG 3.29Å; N551-K553 WeakPolarHBondContact OD1-CG 2.91Å; N551-K553 PolarHBondContact OD1-N 3.44Å; K553-G555 PolarHBondContact O-N 3.19Å
554	G	88.9	Confident	94.4	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-69.6	-13.3	171.7	0	0	0	0	0	114.1	N551 V552 K556 N557 S558	N551-G554 PolarHBondContact O-N 2.88Å; V552-G554 PolarHBondContact O-N 3.39Å; G554-K556 PolarHBondContact O-N 3.22Å; G554-N557 PolarHBondContact O-N 2.81Å; G554-N557 VanDerWaalsContact O-N 3.08Å; G554-S558 WeakPolarHBondContact O-CB 3.35Å; G554-S558 PolarHBondContact O-N 2.83Å
555	G	88.4	Confident	94.2	Very high	43 Å²	43	49.2 Å²	49.2	44%	0.443	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61	-18.2	-176.5	0	0	0	0	0	115.3	V552 K553 N557 S558	V552-G555 PolarHBondContact O-N 2.89Å; K553-G555 PolarHBondContact O-N 3.19Å; G555-N557 VanDerWaalsContact C-N 3.28Å; G555-N557 PolarHBondContact O-N 2.8Å; G555-S558 WeakPolarHBondContact CA-O 3.34Å
556	K	86	Confident	94.1	Very high	189 Å²	189	47.7 Å²	47.7	82%	0.822	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-62.5	-37.3	174.1	-62.2	-177	-178.3	-178	0	112.2	G554	G554-K556 PolarHBondContact O-N 3.22Å
557	N	84.9	Confident	94.1	Very high	107 Å²	107	48.9 Å²	48.9	57%	0.572	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-6.9	-171.9	-58.9	-7.7	0	0	0	112.5	G554 G555	G554-N557 PolarHBondContact O-N 2.81Å; G554-N557 VanDerWaalsContact O-N 3.08Å; G555-N557 VanDerWaalsContact C-N 3.28Å; G555-N557 PolarHBondContact O-N 2.8Å
558	S	92.3	Very high	94.1	Very high	11 Å²	11	48.9 Å²	48.9	8%	0.077	26%	0.262	C	S	.	.			trans	-133.9	122.7	-177.6	176.6	0	0	0	0	112.1	D484 G554 G555 Y560	D484-S558 VanDerWaalsContact CG-OG 3.29Å; D484-S558 WeakPolarHBondContact OD2-CB 3.37Å; D484-S558 PolarHBondContact OD2-OG 2.86Å; G554-S558 WeakPolarHBondContact O-CB 3.35Å; G554-S558 PolarHBondContact O-N 2.83Å; G555-S558 WeakPolarHBondContact CA-O 3.34Å; S558-Y560 PolarHBondContact O-N 2.95Å; S558-Y560 PolarHBondContact OG-N 3.38Å; S558-Y560 VanDerWaalsContact OG-N 3.08Å
559	K	95.3	Very high	94.1	Very high	177 Å²	177	48.9 Å²	48.9	77%	0.77	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.8	169.6	68	-177.9	179	-174	0	113.9
560	Y	97.3	Very high	94.1	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.153	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.7	-177.4	-54.2	-82.9	0	0	0	112.5	D484 H485 S558 R567 W603	D484-Y560 WeakPolarHBondContact O-CE2 3.29Å; H485-Y560 VanDerWaalsContact CA-CE2 3.48Å; H485-Y560 VanDerWaalsContact O-CZ 3.29Å; H485-Y560 PolarHBondContact O-OH 3.32Å; S558-Y560 PolarHBondContact O-N 2.95Å; S558-Y560 PolarHBondContact OG-N 3.38Å; S558-Y560 VanDerWaalsContact OG-N 3.08Å; Y560-R567 PolarHBondContact O-NH2 2.8Å; Y560-W603 HydrophobicContact CD1-CB 4.39Å; Y560-W603 AromaticContact CD1-CD1 3.8Å; Y560-W603 AromaticContact CD1-CD2 3.78Å; Y560-W603 HydrophobicContact CD1-CD2 3.78Å; Y560-W603 AromaticContact CD1-CE2 3.9Å; Y560-W603 HydrophobicContact CD1-CE3 4.43Å; Y560-W603 AromaticContact CD1-CG 3.73Å; Y560-W603 HydrophobicContact CD1-CG 3.73Å; Y560-W603 AromaticContact CD1-NE1 3.89Å; Y560-W603 AromaticContact CE1-CD1 3.9Å; Y560-W603 HydrophobicContact CE1-CG 4.29Å; Y560-W603 AromaticContact CE1-NE1 3.88Å
561	A	96.1	Very high	94.1	Very high	18 Å²	18	49.3 Å²	49.3	15%	0.149	26%	0.264	C	S	.	.	S	Bend	trans	-58.1	144.7	173.8	0	0	0	0	0	111.2
562	P	96	Very high	94.2	Very high	10 Å²	10	48.6 Å²	48.6	7%	0.065	26%	0.261	C	S	.	.			trans	-68.3	155.6	175.2	31.8	-36.5	0	0	0	110.9	R550 V552 E564 R567	R550-P562 WeakPolarHBondContact O-CD 3.43Å; R550-P562 WeakPolarHBondContact O-CG 3.45Å; V552-P562 WeakPolarHBondContact CA-O 3.47Å; P562-E564 WeakPolarHBondContact CB-O 3.49Å; P562-E564 PolarHBondContact O-N 3.05Å; P562-R567 HydrophobicContact CB-CB 4.17Å; P562-R567 HydrophobicContact CG-CB 4.18Å
563	A	92.6	Very high	94.3	Very high	106 Å²	106	47.6 Å²	47.6	88%	0.876	25%	0.252	S	S	*	.	S	Bend	trans	-66.8	-24.4	176.9	0	0	0	0	0	113	V552	V552-A563 VanDerWaalsContact CG2-O 3.29Å; V552-A563 WeakPolarHBondContact CG2-O 3.32Å
564	E	91.8	Very high	94.7	Very high	71 Å²	71	40.3 Å²	40.3	33%	0.332	22%	0.22	S	C	.	.	S	Bend	trans	-147	152.1	178	-176.9	177.3	-168.6	0	0	109.8	R444 P562 M618 Y620	R444-E564 WeakPolarHBondContact CD-OE1 3.3Å; R444-E564 IonicContact CZ-OE1 3.72Å; R444-E564 IonicContact NE-OE1 2.74Å; R444-E564 PolarHBondContact NE-OE1 3.43Å; P562-E564 WeakPolarHBondContact CB-O 3.49Å; P562-E564 PolarHBondContact O-N 3.05Å; E564-M618 HydrophobicContact CB-CE 3.98Å; E564-M618 HydrophobicContact CG-CE 4.15Å; E564-M618 WeakPolarHBondContact O-CE 3.34Å; E564-Y620 PolarHBondContact OE1-OH 3.36Å; E564-Y620 PolarHBondContact OE2-OH 3.19Å
565	G	94	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	63.2	-141.7	167.8	0	0	0	0	0	114.5	W443 N551 V552	W443-G565 CarbonylContact O-C 3.49Å; W443-G565 WeakPolarHBondContact O-CA 3.5Å; N551-G565 WeakPolarHBondContact CA-O 3.29Å; N551-G565 PolarHBondContact ND2-O 3.04Å; N551-G565 VanDerWaalsContact ND2-O 3.15Å; V552-G565 PolarHBondContact N-O 3.1Å
566	N	97.6	Very high	95.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.3	-176.7	-51.3	-91.4	0	0	0	108.5	M442 W443 R446 V449 V549 R550 N551	M442-N566 CarbonylContact C-O 3.38Å; M442-N566 VanDerWaalsContact CA-O 3.22Å; M442-N566 WeakPolarHBondContact CA-O 3.42Å; W443-N566 PolarHBondContact N-O 3.35Å; W443-N566 PolarHBondContact O-N 3.18Å; W443-N566 PolarHBondContact O-ND2 3.36Å; R446-N566 WeakPolarHBondContact CD-OD1 3.36Å; V449-N566 HydrophobicContact CG2-CB 3.6Å; V549-N566 HydrophobicContact CG1-CB 3.84Å; R550-N566 CarbonylContact O-C 3.4Å; R550-N566 WeakPolarHBondContact O-CA 3.1Å; N551-N566 PolarHBondContact ND2-OD1 2.78Å
567	R	98.3	Very high	96.2	Very high	25 Å²	25	33 Å²	33	9%	0.094	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.7	175.8	-169.3	-178.8	68.6	-144.4	-10.5	110.6	T441 M442 V549 R550 Y560 P562 D569 P602	T441-R567 WeakPolarHBondContact O-CA 3.46Å; M442-R567 HydrophobicContact CG-CB 4.07Å; M442-R567 HydrophobicContact CG-CG 3.76Å; V549-R567 CarbonylContact C-O 3.55Å; V549-R567 WeakPolarHBondContact CA-O 3.49Å; R550-R567 PolarHBondContact N-O 2.93Å; R550-R567 PolarHBondContact O-N 2.87Å; Y560-R567 PolarHBondContact O-NH2 2.8Å; P562-R567 HydrophobicContact CB-CB 4.17Å; P562-R567 HydrophobicContact CG-CB 4.18Å; R567-D569 IonicContact CZ-OD1 3.09Å; R567-D569 IonicContact CZ-OD2 3.22Å; R567-D569 IonicContact NE-OD1 3.65Å; R567-D569 PolarHBondContact NE-OD1 3.18Å; R567-D569 IonicContact NE-OD2 3.97Å; R567-D569 IonicContact NH2-OD1 3.9Å; R567-D569 PolarHBondContact NH2-OD1 2.91Å; R567-D569 IonicContact NH2-OD2 2.72Å; R567-D569 PolarHBondContact NH2-OD2 2.86Å; R567-P602 VanDerWaalsContact NE-CB 3.26Å
568	Y	98.4	Very high	96.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.5	172.3	174.6	-128.5	0	0	0	110.1	I437 V439 G440 T441 V454 R547 V548 I571	I437-Y568 HydrophobicContact CG2-CD1 4.32Å; V439-Y568 HydrophobicContact CG2-CD1 4.32Å; V439-Y568 HydrophobicContact CG2-CE1 3.93Å; G440-Y568 PolarHBondContact N-O 2.83Å; T441-Y568 PolarHBondContact O-N 2.75Å; V454-Y568 HydrophobicContact CG1-CD2 3.74Å; V454-Y568 HydrophobicContact CG1-CE2 4.31Å; V454-Y568 HydrophobicContact CG1-CG 4.16Å; R547-Y568 HydrophobicContact CB-CE2 3.81Å; R547-Y568 HydrophobicContact CG-CE2 4.07Å; V548-Y568 WeakPolarHBondContact O-CD2 3.23Å; Y568-I571 WeakPolarHBondContact OH-CD1 3.33Å
569	D	98.3	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	7.3	-170.3	-76.3	3.2	0	0	0	113.6	V548 R550 R567 R595 W603	V548-D569 PolarHBondContact O-N 3.28Å; R550-D569 WeakPolarHBondContact CD-OD2 3.27Å; R550-D569 WeakPolarHBondContact CG-OD2 3.03Å; R550-D569 IonicContact CZ-OD2 2.93Å; R550-D569 IonicContact NE-OD2 3.99Å; R550-D569 IonicContact NH1-OD2 2.56Å; R550-D569 PolarHBondContact NH1-OD2 3.25Å; R567-D569 IonicContact CZ-OD1 3.09Å; R567-D569 IonicContact CZ-OD2 3.22Å; R567-D569 IonicContact NE-OD1 3.65Å; R567-D569 PolarHBondContact NE-OD1 3.18Å; R567-D569 IonicContact NE-OD2 3.97Å; R567-D569 IonicContact NH2-OD1 3.9Å; R567-D569 PolarHBondContact NH2-OD1 2.91Å; R567-D569 IonicContact NH2-OD2 2.72Å; R567-D569 PolarHBondContact NH2-OD2 2.86Å; D569-R595 PolarHBondContact O-NE 3.31Å; D569-R595 VanDerWaalsContact O-NE 3.13Å; D569-R595 PolarHBondContact O-NH2 2.87Å; D569-W603 HydrophobicContact CB-CZ3 4.07Å; D569-W603 WeakPolarHBondContact OD2-CZ3 3.19Å
570	G	97.7	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.9	-162.6	174.5	0	0	0	0	0	114.6	V439 V548 D597	V439-G570 VanDerWaalsContact CG2-CA 3.48Å; V548-G570 PolarHBondContact N-O 3.33Å; G570-D597 WeakPolarHBondContact CA-OD2 3.47Å
571	I	98.4	Very high	97	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.2	-174.5	-58.7	-55.3	0	0	0	112	P433 P545 R547 Y568 R595 D596 D597	P433-I571 HydrophobicContact CG-CD1 4.02Å; P433-I571 HydrophobicContact CG-CG1 3.8Å; P545-I571 HydrophobicContact CB-CG2 3.35Å; R547-I571 HydrophobicContact CB-CD1 4.45Å; R547-I571 HydrophobicContact CG-CD1 3.71Å; Y568-I571 WeakPolarHBondContact OH-CD1 3.33Å; I571-R595 WeakPolarHBondContact O-CG 3.43Å; I571-D596 PolarHBondContact O-N 2.8Å; I571-D597 HydrophobicContact CB-CB 4.05Å; I571-D597 PolarHBondContact N-OD2 3.46Å
572	Y	98.8	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.5	175.3	-66.7	-114.2	0	0	0	109.3	G486 F489 V546 V548 R550 L593 R594 R595 W603	G486-Y572 WeakPolarHBondContact O-CE1 3.36Å; G486-Y572 PolarHBondContact O-OH 3.19Å; F489-Y572 HydrophobicContact CD1-CD1 4.06Å; F489-Y572 AromaticContact CD1-CE1 3.88Å; F489-Y572 HydrophobicContact CD1-CE1 3.88Å; F489-Y572 AromaticContact CE1-CD1 3.46Å; F489-Y572 HydrophobicContact CE1-CD1 3.46Å; F489-Y572 VanDerWaalsContact CE1-CD1 3.46Å; F489-Y572 AromaticContact CE1-CE1 3.55Å; F489-Y572 HydrophobicContact CE1-CE1 3.55Å; F489-Y572 AromaticContact CE1-CG 4Å; F489-Y572 HydrophobicContact CE1-CG 4Å; F489-Y572 HydrophobicContact CZ-CD1 4.4Å; V546-Y572 PolarHBondContact N-O 2.91Å; V546-Y572 PolarHBondContact O-N 2.9Å; V548-Y572 HydrophobicContact CB-CD2 3.54Å; V548-Y572 HydrophobicContact CB-CE2 3.66Å; V548-Y572 HydrophobicContact CB-CG 4.36Å; V548-Y572 HydrophobicContact CG1-CD2 4.36Å; V548-Y572 HydrophobicContact CG1-CE2 4.16Å; V548-Y572 HydrophobicContact CG2-CD1 4.48Å; V548-Y572 HydrophobicContact CG2-CD2 3.21Å; V548-Y572 HydrophobicContact CG2-CE2 3.85Å; V548-Y572 HydrophobicContact CG2-CG 3.61Å; R550-Y572 PolarHBondContact NH1-OH 3.33Å; R550-Y572 VanDerWaalsContact NH1-OH 3.12Å; Y572-L593 HydrophobicContact CD1-CB 4.44Å; Y572-R594 CarbonylContact C-O 3.52Å; Y572-R594 VanDerWaalsContact CA-O 3.25Å; Y572-R594 WeakPolarHBondContact CA-O 3.12Å; Y572-R595 VanDerWaalsContact CD1-CA 3.49Å; Y572-R595 HydrophobicContact CD1-CB 3.8Å; Y572-R595 HydrophobicContact CD1-CG 4.34Å; Y572-R595 VanDerWaalsContact CD1-N 3.29Å; Y572-R595 HydrophobicContact CD2-CG 4.28Å; Y572-R595 HydrophobicContact CE1-CB 3.52Å; Y572-R595 HydrophobicContact CE1-CG 3.96Å; Y572-R595 HydrophobicContact CE2-CB 4.35Å; Y572-R595 HydrophobicContact CE2-CG 3.88Å; Y572-R595 HydrophobicContact CG-CB 4.33Å; Y572-R595 HydrophobicContact CG-CG 4.49Å; Y572-W603 WeakPolarHBondContact OH-CH2 3.24Å
573	K	98.6	Very high	96.6	Very high	32 Å²	32	39 Å²	39	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.6	175.7	-70.1	175.1	178.9	166.7	0	110	W540 R541 G543 V575 L593 R594 D596	W540-K573 HydrophobicContact CE3-CB 3.98Å; W540-K573 HydrophobicContact CZ3-CB 4.2Å; R541-K573 VanDerWaalsContact O-CD 3.31Å; R541-K573 WeakPolarHBondContact O-CD 3.12Å; R541-K573 WeakPolarHBondContact O-CE 3.41Å; R541-K573 PolarHBondContact O-NZ 2.89Å; G543-K573 VanDerWaalsContact O-CD 3.3Å; G543-K573 WeakPolarHBondContact O-CD 3.42Å; G543-K573 WeakPolarHBondContact O-CE 3.3Å; K573-V575 PolarHBondContact O-N 2.85Å; K573-L593 WeakPolarHBondContact O-CA 3.44Å; K573-R594 PolarHBondContact N-O 2.75Å; K573-R594 PolarHBondContact O-N 3.44Å; K573-D596 HydrophobicContact CD-CB 4.15Å; K573-D596 WeakPolarHBondContact CD-OD2 3.3Å; K573-D596 WeakPolarHBondContact CE-OD2 3.17Å; K573-D596 HydrophobicContact CG-CB 4.47Å; K573-D596 IonicContact NZ-OD2 3.63Å; K573-D596 PolarHBondContact NZ-OD2 2.82Å
574	V	98.6	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.1	179	-179.4	0	0	0	0	108.4	L521 N524 C525 L593	L521-V574 HydrophobicContact CD1-CG2 3.84Å; L521-V574 HydrophobicContact CG-CG2 4.27Å; N524-V574 HydrophobicContact CB-CB 4.3Å; N524-V574 HydrophobicContact CB-CG2 3.79Å; C525-V574 HydrophobicContact CB-CB 4.19Å; C525-V574 HydrophobicContact CB-CG1 3.83Å; V574-L593 HydrophobicContact CG2-CD2 4.32Å; V574-L593 HydrophobicContact CG2-CG 4.12Å
575	V	98.5	Very high	96.4	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.109	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-46.5	177.4	179.7	0	0	0	0	110.1	A537 W540 K573 L592 R594	A537-V575 WeakPolarHBondContact CB-O 3.4Å; A537-V575 PolarHBondContact N-O 2.92Å; W540-V575 HydrophobicContact CB-CB 4.21Å; W540-V575 HydrophobicContact CB-CG1 4.17Å; W540-V575 HydrophobicContact CB-CG2 4.01Å; W540-V575 HydrophobicContact CD2-CG2 4.01Å; W540-V575 HydrophobicContact CE3-CG2 4.02Å; W540-V575 HydrophobicContact CG-CG1 4.45Å; W540-V575 HydrophobicContact CG-CG2 4Å; K573-V575 PolarHBondContact O-N 2.85Å; V575-L592 HydrophobicContact CB-CB 4.44Å; V575-L592 HydrophobicContact CB-CD2 4.1Å; V575-L592 HydrophobicContact CB-CG 4.13Å; V575-L592 HydrophobicContact CG1-CD2 4.17Å; V575-L592 HydrophobicContact CG2-CG 4.44Å; V575-L592 PolarHBondContact N-O 2.83Å; V575-R594 HydrophobicContact CG2-CB 3.6Å
576	K	98.3	Very high	96.4	Very high	65 Å²	65	37.7 Å²	37.7	28%	0.283	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.2	176.6	65.8	179.3	-176.7	-177	0	111.1	A535 E536 W578 L592	A535-K576 CarbonylContact O-C 3.48Å; A535-K576 WeakPolarHBondContact O-CA 3.44Å; A535-K576 WeakPolarHBondContact O-CB 3.43Å; E536-K576 HydrophobicContact CB-CB 3.69Å; E536-K576 HydrophobicContact CB-CD 4.41Å; E536-K576 HydrophobicContact CG-CB 3.89Å; E536-K576 HydrophobicContact CG-CD 4.23Å; K576-W578 HydrophobicContact CD-CE3 4.2Å; K576-W578 HydrophobicContact CD-CZ3 4.15Å; K576-W578 HydrophobicContact CG-CE3 3.85Å; K576-W578 HydrophobicContact CG-CZ3 3.66Å; K576-L592 HydrophobicContact CG-CB 3.92Å; K576-L592 HydrophobicContact CG-CD2 4.24Å; K576-L592 PolarHBondContact O-N 3.23Å
577	Y	98.6	Very high	96.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.2	172.5	68.7	-83.6	0	0	0	110	L514 A522 C525 N530 G534 A535 W589 R590 Y591	L514-Y577 HydrophobicContact CD1-CD2 4.49Å; L514-Y577 HydrophobicContact CD1-CE2 4.45Å; L514-Y577 HydrophobicContact CD2-CE2 3.94Å; A522-Y577 HydrophobicContact CB-CD1 4.03Å; A522-Y577 HydrophobicContact CB-CD2 3.84Å; A522-Y577 HydrophobicContact CB-CE1 3.89Å; A522-Y577 HydrophobicContact CB-CE2 3.7Å; A522-Y577 HydrophobicContact CB-CG 4.03Å; C525-Y577 HydrophobicContact CB-CD1 3.87Å; C525-Y577 HydrophobicContact CB-CE1 3.94Å; N530-Y577 PolarHBondContact N-OH 2.89Å; N530-Y577 WeakPolarHBondContact O-CE2 3.36Å; N530-Y577 PolarHBondContact O-OH 3.13Å; G534-Y577 CarbonylContact C-O 3.57Å; G534-Y577 VanDerWaalsContact CA-CE2 3.42Å; G534-Y577 VanDerWaalsContact CA-O 3.24Å; G534-Y577 WeakPolarHBondContact CA-O 3.45Å; A535-Y577 HydrophobicContact CB-CD1 4.47Å; A535-Y577 HydrophobicContact CB-CE1 3.62Å; A535-Y577 PolarHBondContact N-O 2.97Å; A535-Y577 PolarHBondContact O-N 3.34Å; Y577-W589 AromaticContact CD2-CE3 3.88Å; Y577-W589 HydrophobicContact CD2-CE3 3.88Å; Y577-W589 AromaticContact CD2-CZ3 3.63Å; Y577-W589 HydrophobicContact CD2-CZ3 3.63Å; Y577-W589 HydrophobicContact CE2-CE3 4.44Å; Y577-W589 AromaticContact CE2-CZ3 3.81Å; Y577-W589 HydrophobicContact CE2-CZ3 3.81Å; Y577-R590 CarbonylContact C-O 3.6Å; Y577-R590 WeakPolarHBondContact CA-O 3.1Å; Y577-R590 WeakPolarHBondContact CB-O 3.21Å; Y577-Y591 VanDerWaalsContact CB-CD1 3.43Å; Y577-Y591 HydrophobicContact CD2-CE1 4.43Å; Y577-Y591 HydrophobicContact CG-CD1 4.27Å; Y577-Y591 HydrophobicContact CG-CE1 4.21Å
578	W	98.4	Very high	96.1	Very high	56 Å²	56	39.3 Å²	39.3	21%	0.212	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	151.7	-175.7	65.5	99.5	0	0	0	110.8	T490 K576 E580 R590 L592	T490-W578 HydrophobicContact CG2-CH2 3.84Å; T490-W578 HydrophobicContact CG2-CZ2 4.11Å; K576-W578 HydrophobicContact CD-CE3 4.2Å; K576-W578 HydrophobicContact CD-CZ3 4.15Å; K576-W578 HydrophobicContact CG-CE3 3.85Å; K576-W578 HydrophobicContact CG-CZ3 3.66Å; W578-E580 PolarHBondContact NE1-OE2 2.71Å; W578-R590 HydrophobicContact CD2-CB 4.1Å; W578-R590 HydrophobicContact CE3-CB 4.48Å; W578-R590 HydrophobicContact CH2-CB 4.18Å; W578-R590 HydrophobicContact CZ2-CB 3.79Å; W578-R590 HydrophobicContact CZ3-CB 4.49Å; W578-R590 PolarHBondContact N-O 3.22Å; W578-R590 PolarHBondContact O-N 3.13Å; W578-L592 HydrophobicContact CH2-CB 4.25Å; W578-L592 HydrophobicContact CZ3-CB 3.9Å
579	P	97.6	Very high	96.1	Very high	35 Å²	35	39.7 Å²	39.7	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.3	167.8	30.7	-26.6	0	0	0	110.4	Q532 E533 L587 V588 W589	Q532-P579 VanDerWaalsContact O-CG 3.29Å; Q532-P579 WeakPolarHBondContact O-CG 3.49Å; E533-P579 WeakPolarHBondContact O-CD 3.29Å; P579-L587 HydrophobicContact CB-CD1 4.01Å; P579-L587 HydrophobicContact CB-CD2 3.89Å; P579-L587 HydrophobicContact CB-CG 4.03Å; P579-V588 WeakPolarHBondContact CA-O 3.46Å; P579-W589 HydrophobicContact CB-CD2 4.24Å; P579-W589 HydrophobicContact CB-CE3 4.32Å; P579-W589 HydrophobicContact CB-CH2 4.15Å; P579-W589 HydrophobicContact CB-CZ2 4.01Å; P579-W589 HydrophobicContact CB-CZ3 4.3Å; P579-W589 HydrophobicContact CG-CH2 3.88Å; P579-W589 HydrophobicContact CG-CZ2 4.13Å; P579-W589 HydrophobicContact CG-CZ3 4.14Å
580	E	95.7	Very high	96.1	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.5	177.6	-167.5	-177.6	135.8	0	0	109.5	W578 G582 L587 V588 R590	W578-E580 PolarHBondContact NE1-OE2 2.71Å; E580-G582 PolarHBondContact O-N 2.8Å; E580-L587 WeakPolarHBondContact O-CA 3.3Å; E580-V588 PolarHBondContact N-O 3.27Å; E580-V588 WeakPolarHBondContact O-CG2 3.34Å; E580-V588 PolarHBondContact O-N 3.41Å; E580-R590 HydrophobicContact CB-CG 4.27Å; E580-R590 IonicContact OE1-NH1 2.7Å; E580-R590 PolarHBondContact OE1-NH1 3.2Å; E580-R590 VanDerWaalsContact OE2-CD 3.26Å; E580-R590 WeakPolarHBondContact OE2-CD 3.43Å; E580-R590 IonicContact OE2-CZ 3.29Å; E580-R590 IonicContact OE2-NH1 3.81Å; E580-R590 PolarHBondContact OE2-NH1 3.4Å; E580-R590 VanDerWaalsContact OE2-NH1 3.07Å
581	K	95.8	Very high	96.1	Very high	158 Å²	158	41.1 Å²	41.1	69%	0.687	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.2	171	-162.2	174.4	-171.2	176.9	0	109	G585	K581-G585 WeakPolarHBondContact CE-O 3.08Å
582	G	93.2	Very high	96.1	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	21%	0.211	C	C	.	.			trans	-70.2	174.1	179.7	0	0	0	0	0	112.7	E580 S584 G585 F586	E580-G582 PolarHBondContact O-N 2.8Å; G582-S584 PolarHBondContact O-N 3.38Å; G582-G585 PolarHBondContact O-N 3Å; G582-F586 PolarHBondContact N-O 2.73Å
583	K	90.5	Very high	96.1	Very high	155 Å²	155	42.5 Å²	42.5	67%	0.674	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.1	-178.6	-75	169.8	-175.5	174.8	0	113.8	E480 D481 G585	E480-K583 HydrophobicContact CB-CD 4.21Å; E480-K583 HydrophobicContact CG-CB 4Å; E480-K583 HydrophobicContact CG-CD 4.12Å; E480-K583 PolarHBondContact O-NZ 3.41Å; D481-K583 VanDerWaalsContact OD1-CG 3.3Å; D481-K583 WeakPolarHBondContact OD1-CG 3.47Å; D481-K583 PolarHBondContact OD1-N 2.55Å; K583-G585 PolarHBondContact O-N 3.44Å
584	S	88.4	Confident	96.1	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2	176.9	16.3	0	0	0	0	113.2	E480 Q508 G582	E480-S584 PolarHBondContact OE1-OG 3.12Å; Q508-S584 WeakPolarHBondContact CB-OG 3.34Å; Q508-S584 WeakPolarHBondContact CG-OG 3.49Å; G582-S584 PolarHBondContact O-N 3.38Å
585	G	90.1	Very high	96.1	Very high	36 Å²	36	48.7 Å²	48.7	37%	0.371	23%	0.233	S	C	.	.	S	Bend	trans	86.6	-0.7	172.8	0	0	0	0	0	115.3	K581 G582 K583	K581-G585 WeakPolarHBondContact CE-O 3.08Å; G582-G585 PolarHBondContact O-N 3Å; K583-G585 PolarHBondContact O-N 3.44Å
586	F	94.1	Very high	96.1	Very high	69 Å²	69	50.1 Å²	50.1	30%	0.303	24%	0.24	S	C	.	.	S	Bend	trans	-96.1	157.1	173.2	-62.9	-76.6	0	0	0	111.4	Q508 S509 G582 V588	Q508-F586 HydrophobicContact CB-CD2 4Å; Q508-F586 WeakPolarHBondContact O-CE2 3.3Å; S509-F586 WeakPolarHBondContact O-CE1 3.34Å; S509-F586 WeakPolarHBondContact O-CZ 3.25Å; G582-F586 PolarHBondContact N-O 2.73Å; F586-V588 PolarHBondContact O-N 2.95Å
587	L	94.3	Very high	96	Very high	59 Å²	59	48.6 Å²	48.6	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.7	172.9	-174.5	153	0	0	0	109.8	D511 Q512 P579 E580	D511-L587 HydrophobicContact CB-CB 3.92Å; D511-L587 PolarHBondContact OD1-N 2.87Å; Q512-L587 PolarHBondContact N-O 2.81Å; Q512-L587 WeakPolarHBondContact O-CD2 3.24Å; P579-L587 HydrophobicContact CB-CD1 4.01Å; P579-L587 HydrophobicContact CB-CD2 3.89Å; P579-L587 HydrophobicContact CB-CG 4.03Å; E580-L587 WeakPolarHBondContact O-CA 3.3Å
588	V	96.6	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.9	173.2	-62	0	0	0	0	109.7	T492 Q512 P579 E580 F586 R590	T492-V588 HydrophobicContact CG2-CB 3.9Å; T492-V588 HydrophobicContact CG2-CG1 4.27Å; T492-V588 HydrophobicContact CG2-CG2 4.25Å; Q512-V588 HydrophobicContact CG-CG1 4.32Å; P579-V588 WeakPolarHBondContact CA-O 3.46Å; E580-V588 PolarHBondContact N-O 3.27Å; E580-V588 WeakPolarHBondContact O-CG2 3.34Å; E580-V588 PolarHBondContact O-N 3.41Å; F586-V588 PolarHBondContact O-N 2.95Å; V588-R590 HydrophobicContact CG2-CG 4.11Å
589	W	97.7	Very high	95.5	Very high	9 Å²	9	56.6 Å²	56.6	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.2	172.7	-80.6	89.5	0	0	0	109.7	T492 G493 L514 D531 Y577 P579 Y591	T492-W589 CarbonylContact C-O 3.53Å; G493-W589 PolarHBondContact N-O 3.38Å; L514-W589 HydrophobicContact CB-CD2 4.23Å; L514-W589 HydrophobicContact CB-CH2 4.24Å; L514-W589 HydrophobicContact CB-CZ2 3.67Å; L514-W589 HydrophobicContact CD1-CD2 3.76Å; L514-W589 HydrophobicContact CD1-CE3 3.8Å; L514-W589 HydrophobicContact CD1-CG 4.24Å; L514-W589 HydrophobicContact CD1-CH2 4.42Å; L514-W589 HydrophobicContact CD1-CZ2 4.41Å; L514-W589 HydrophobicContact CD1-CZ3 4.13Å; L514-W589 HydrophobicContact CD2-CH2 3.95Å; L514-W589 HydrophobicContact CD2-CZ2 4.25Å; L514-W589 HydrophobicContact CD2-CZ3 4.18Å; L514-W589 HydrophobicContact CG-CH2 4.43Å; L514-W589 HydrophobicContact CG-CZ2 4.32Å; D531-W589 WeakPolarHBondContact O-CH2 3.28Å; D531-W589 VanDerWaalsContact O-CZ2 3.3Å; D531-W589 WeakPolarHBondContact O-CZ2 3.28Å; Y577-W589 AromaticContact CD2-CE3 3.88Å; Y577-W589 HydrophobicContact CD2-CE3 3.88Å; Y577-W589 AromaticContact CD2-CZ3 3.63Å; Y577-W589 HydrophobicContact CD2-CZ3 3.63Å; Y577-W589 HydrophobicContact CE2-CE3 4.44Å; Y577-W589 AromaticContact CE2-CZ3 3.81Å; Y577-W589 HydrophobicContact CE2-CZ3 3.81Å; P579-W589 HydrophobicContact CB-CD2 4.24Å; P579-W589 HydrophobicContact CB-CE3 4.32Å; P579-W589 HydrophobicContact CB-CH2 4.15Å; P579-W589 HydrophobicContact CB-CZ2 4.01Å; P579-W589 HydrophobicContact CB-CZ3 4.3Å; P579-W589 HydrophobicContact CG-CH2 3.88Å; P579-W589 HydrophobicContact CG-CZ2 4.13Å; P579-W589 HydrophobicContact CG-CZ3 4.14Å; W589-Y591 HydrophobicContact CB-CE2 3.83Å; W589-Y591 WeakPolarHBondContact O-CE2 3.5Å
590	R	97.9	Very high	95.3	Very high	31 Å²	31	56.4 Å²	56.4	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.6	-178.6	-55.7	-165.1	78.5	-170.9	5.8	110.6	D481 T490 Y491 Y577 W578 E580 V588	D481-R590 PolarHBondContact O-NH2 3.23Å; T490-R590 HydrophobicContact CG2-CB 4Å; Y491-R590 CarbonylContact O-C 3.59Å; Y491-R590 WeakPolarHBondContact O-CA 3.28Å; Y577-R590 CarbonylContact C-O 3.6Å; Y577-R590 WeakPolarHBondContact CA-O 3.1Å; Y577-R590 WeakPolarHBondContact CB-O 3.21Å; W578-R590 HydrophobicContact CD2-CB 4.1Å; W578-R590 HydrophobicContact CE3-CB 4.48Å; W578-R590 HydrophobicContact CH2-CB 4.18Å; W578-R590 HydrophobicContact CZ2-CB 3.79Å; W578-R590 HydrophobicContact CZ3-CB 4.49Å; W578-R590 PolarHBondContact N-O 3.22Å; W578-R590 PolarHBondContact O-N 3.13Å; E580-R590 HydrophobicContact CB-CG 4.27Å; E580-R590 IonicContact OE1-NH1 2.7Å; E580-R590 PolarHBondContact OE1-NH1 3.2Å; E580-R590 VanDerWaalsContact OE2-CD 3.26Å; E580-R590 WeakPolarHBondContact OE2-CD 3.43Å; E580-R590 IonicContact OE2-CZ 3.29Å; E580-R590 IonicContact OE2-NH1 3.81Å; E580-R590 PolarHBondContact OE2-NH1 3.4Å; E580-R590 VanDerWaalsContact OE2-NH1 3.07Å; V588-R590 HydrophobicContact CG2-CG 4.11Å
591	Y	98.6	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.8	-177.6	-54.3	-98.4	0	0	0	109	T490 Y491 L514 N518 L521 A522 Y577 W589	T490-Y591 CarbonylContact C-O 3.59Å; T490-Y591 VanDerWaalsContact CA-O 3.3Å; T490-Y591 WeakPolarHBondContact CA-O 3.19Å; Y491-Y591 PolarHBondContact N-O 2.98Å; Y491-Y591 PolarHBondContact O-N 2.97Å; L514-Y591 WeakPolarHBondContact CD1-OH 3.47Å; N518-Y591 WeakPolarHBondContact CA-OH 3.4Å; N518-Y591 VanDerWaalsContact CB-OH 3.3Å; N518-Y591 WeakPolarHBondContact CB-OH 3.3Å; N518-Y591 PolarHBondContact O-OH 3.47Å; L521-Y591 HydrophobicContact CB-CD1 4.19Å; L521-Y591 HydrophobicContact CB-CE1 3.96Å; L521-Y591 HydrophobicContact CD2-CD1 3.77Å; L521-Y591 HydrophobicContact CD2-CD2 3.79Å; L521-Y591 HydrophobicContact CD2-CE1 4.16Å; L521-Y591 HydrophobicContact CD2-CE2 4.2Å; L521-Y591 HydrophobicContact CD2-CG 3.59Å; L521-Y591 HydrophobicContact CG-CD1 3.67Å; L521-Y591 HydrophobicContact CG-CE1 3.98Å; L521-Y591 HydrophobicContact CG-CG 4.02Å; A522-Y591 HydrophobicContact CB-CE1 4.04Å; Y577-Y591 VanDerWaalsContact CB-CD1 3.43Å; Y577-Y591 HydrophobicContact CD2-CE1 4.43Å; Y577-Y591 HydrophobicContact CG-CD1 4.27Å; Y577-Y591 HydrophobicContact CG-CE1 4.21Å; W589-Y591 HydrophobicContact CB-CE2 3.83Å; W589-Y591 WeakPolarHBondContact O-CE2 3.5Å
592	L	98.7	Very high	95.3	Very high	37 Å²	37	45.6 Å²	45.6	19%	0.194	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.6	170.5	177.4	62	0	0	0	108.7	F488 V575 K576 W578	F488-L592 HydrophobicContact CD2-CD1 4.19Å; V575-L592 HydrophobicContact CB-CB 4.44Å; V575-L592 HydrophobicContact CB-CD2 4.1Å; V575-L592 HydrophobicContact CB-CG 4.13Å; V575-L592 HydrophobicContact CG1-CD2 4.17Å; V575-L592 HydrophobicContact CG2-CG 4.44Å; V575-L592 PolarHBondContact N-O 2.83Å; K576-L592 HydrophobicContact CG-CB 3.92Å; K576-L592 HydrophobicContact CG-CD2 4.24Å; K576-L592 PolarHBondContact O-N 3.23Å; W578-L592 HydrophobicContact CH2-CB 4.25Å; W578-L592 HydrophobicContact CZ3-CB 3.9Å
593	L	98.6	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.6	174	-74	93.8	0	0	0	110.5	L473 F488 F489 V546 Y572 K573 V574	L473-L593 HydrophobicContact CD2-CD1 4.29Å; L473-L593 HydrophobicContact CD2-CD2 3.77Å; F488-L593 CarbonylContact C-O 3.58Å; F488-L593 WeakPolarHBondContact CA-O 3.49Å; F488-L593 VanDerWaalsContact CB-O 3.28Å; F488-L593 WeakPolarHBondContact CB-O 3.42Å; F489-L593 HydrophobicContact CD1-CB 4.37Å; F489-L593 HydrophobicContact CD2-CB 4.31Å; F489-L593 HydrophobicContact CD2-CD1 4.36Å; F489-L593 HydrophobicContact CE1-CB 3.93Å; F489-L593 HydrophobicContact CE2-CB 3.88Å; F489-L593 HydrophobicContact CE2-CD1 3.75Å; F489-L593 HydrophobicContact CE2-CD2 4.25Å; F489-L593 HydrophobicContact CE2-CG 4.16Å; F489-L593 HydrophobicContact CZ-CB 3.66Å; F489-L593 HydrophobicContact CZ-CD1 4.21Å; F489-L593 HydrophobicContact CZ-CD2 3.88Å; F489-L593 HydrophobicContact CZ-CG 4.12Å; F489-L593 PolarHBondContact N-O 3Å; F489-L593 PolarHBondContact O-N 2.87Å; V546-L593 HydrophobicContact CB-CD2 4.24Å; V546-L593 HydrophobicContact CG1-CD2 4.33Å; V546-L593 HydrophobicContact CG2-CD2 4.37Å; Y572-L593 HydrophobicContact CD1-CB 4.44Å; K573-L593 WeakPolarHBondContact O-CA 3.44Å; V574-L593 HydrophobicContact CG2-CD2 4.32Å; V574-L593 HydrophobicContact CG2-CG 4.12Å
594	R	98.6	Very high	95.7	Very high	129 Å²	129	42.2 Å²	42.2	49%	0.487	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	176.3	-172.6	172.7	-178.6	177.5	2.9	110.5	F488 W540 Y572 K573 V575	F488-R594 HydrophobicContact CB-CB 4.38Å; F488-R594 HydrophobicContact CB-CG 4.38Å; W540-R594 HydrophobicContact CE3-CB 4.15Å; W540-R594 HydrophobicContact CH2-CB 4.1Å; W540-R594 HydrophobicContact CH2-CG 3.74Å; W540-R594 HydrophobicContact CZ2-CG 4.16Å; W540-R594 HydrophobicContact CZ3-CB 3.8Å; W540-R594 HydrophobicContact CZ3-CG 3.98Å; Y572-R594 CarbonylContact C-O 3.52Å; Y572-R594 VanDerWaalsContact CA-O 3.25Å; Y572-R594 WeakPolarHBondContact CA-O 3.12Å; K573-R594 PolarHBondContact N-O 2.75Å; K573-R594 PolarHBondContact O-N 3.44Å; V575-R594 HydrophobicContact CG2-CB 3.6Å
595	R	98.3	Very high	96	Very high	34 Å²	34	48.1 Å²	48.1	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.3	-177.4	-160.8	172.5	-174.2	-82.5	-5	110.7	N487 D569 I571 Y572 D597 E599	N487-R595 VanDerWaalsContact O-CB 3.27Å; N487-R595 WeakPolarHBondContact O-CB 3.16Å; N487-R595 PolarHBondContact O-N 3.37Å; D569-R595 PolarHBondContact O-NE 3.31Å; D569-R595 VanDerWaalsContact O-NE 3.13Å; D569-R595 PolarHBondContact O-NH2 2.87Å; I571-R595 WeakPolarHBondContact O-CG 3.43Å; Y572-R595 VanDerWaalsContact CD1-CA 3.49Å; Y572-R595 HydrophobicContact CD1-CB 3.8Å; Y572-R595 HydrophobicContact CD1-CG 4.34Å; Y572-R595 VanDerWaalsContact CD1-N 3.29Å; Y572-R595 HydrophobicContact CD2-CG 4.28Å; Y572-R595 HydrophobicContact CE1-CB 3.52Å; Y572-R595 HydrophobicContact CE1-CG 3.96Å; Y572-R595 HydrophobicContact CE2-CB 4.35Å; Y572-R595 HydrophobicContact CE2-CG 3.88Å; Y572-R595 HydrophobicContact CG-CB 4.33Å; Y572-R595 HydrophobicContact CG-CG 4.49Å; R595-D597 HydrophobicContact CG-CB 4.33Å; R595-D597 PolarHBondContact NH1-O 2.92Å; R595-D597 IonicContact NH2-OD1 3.91Å; R595-D597 IonicContact NH2-OD2 2.76Å; R595-E599 PolarHBondContact NH1-O 2.88Å; R595-E599 PolarHBondContact NH2-O 2.95Å
596	D	97.7	Very high	96.3	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	25%	0.252	S	S	.	.			trans	-142.4	75.3	177.1	-166.9	40.6	0	0	0	108.2	W540 R541 I571 K573	W540-D596 HydrophobicContact CH2-CB 4.08Å; W540-D596 HydrophobicContact CZ3-CB 3.89Å; R541-D596 IonicContact NE-OD1 3.53Å; I571-D596 PolarHBondContact O-N 2.8Å; K573-D596 HydrophobicContact CD-CB 4.15Å; K573-D596 WeakPolarHBondContact CD-OD2 3.3Å; K573-D596 WeakPolarHBondContact CE-OD2 3.17Å; K573-D596 HydrophobicContact CG-CB 4.47Å; K573-D596 IonicContact NZ-OD2 3.63Å; K573-D596 PolarHBondContact NZ-OD2 2.82Å
597	D	96.4	Very high	96.2	Very high	32 Å²	32	50 Å²	50	17%	0.171	24%	0.239	C	C	.	.			trans	-152.3	129.6	-171.2	-172	-50.7	0	0	0	108.9	G570 I571 R595 E599	G570-D597 WeakPolarHBondContact CA-OD2 3.47Å; I571-D597 HydrophobicContact CB-CB 4.05Å; I571-D597 PolarHBondContact N-OD2 3.46Å; R595-D597 HydrophobicContact CG-CB 4.33Å; R595-D597 PolarHBondContact NH1-O 2.92Å; R595-D597 IonicContact NH2-OD1 3.91Å; R595-D597 IonicContact NH2-OD2 2.76Å; D597-E599 VanDerWaalsContact C-N 3.32Å; D597-E599 WeakPolarHBondContact OD1-CA 3.32Å; D597-E599 VanDerWaalsContact OD1-CB 3.29Å; D597-E599 WeakPolarHBondContact OD1-CB 3.21Å; D597-E599 PolarHBondContact OD1-N 3.34Å
598	D	93.4	Very high	96.2	Very high	173 Å²	173	53.2 Å²	53.2	93%	0.925	25%	0.25	S	S	*	.	S	Bend	trans	-72.8	-24.1	-176.6	-62.4	-37.9	0	0	0	112.9
599	E	93.1	Very high	95.9	Very high	53 Å²	53	57.5 Å²	57.5	25%	0.248	27%	0.273	C	S	.	.	S	Bend	trans	-71.6	137.6	176.3	-59.7	-172.5	-159.8	0	0	109.6	V439 R595 D597 R610	V439-E599 HydrophobicContact CB-CB 3.92Å; V439-E599 WeakPolarHBondContact CB-OE2 3.43Å; V439-E599 HydrophobicContact CG2-CB 3.81Å; V439-E599 HydrophobicContact CG2-CG 4.29Å; V439-E599 WeakPolarHBondContact CG2-OE2 3.44Å; V439-E599 PolarHBondContact N-OE2 2.8Å; R595-E599 PolarHBondContact NH1-O 2.88Å; R595-E599 PolarHBondContact NH2-O 2.95Å; D597-E599 VanDerWaalsContact C-N 3.32Å; D597-E599 WeakPolarHBondContact OD1-CA 3.32Å; D597-E599 VanDerWaalsContact OD1-CB 3.29Å; D597-E599 WeakPolarHBondContact OD1-CB 3.21Å; D597-E599 PolarHBondContact OD1-N 3.34Å; E599-R610 IonicContact OE1-NH2 3.74Å; E599-R610 IonicContact OE2-CZ 2.75Å; E599-R610 IonicContact OE2-NH1 3.38Å; E599-R610 PolarHBondContact OE2-NH1 2.97Å; E599-R610 IonicContact OE2-NH2 2.79Å; E599-R610 PolarHBondContact OE2-NH2 3.4Å
600	P	94.5	Very high	95.5	Very high	32 Å²	32	60.3 Å²	60.3	21%	0.208	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.2	141.7	-177.6	25.6	-34.2	0	0	0	112.1	E606	P600-E606 HydrophobicContact CB-CB 3.94Å; P600-E606 HydrophobicContact CG-CB 4.26Å
601	G	95.2	Very high	95.1	Very high	4 Å²	4	60.2 Å²	60.2	4%	0.041	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.7	132	177.9	0	0	0	0	0	112.2	W603 T604	G601-W603 PolarHBondContact O-N 3.04Å; G601-T604 WeakPolarHBondContact O-CB 3.28Å; G601-T604 WeakPolarHBondContact O-CG2 3.37Å; G601-T604 PolarHBondContact O-N 3Å; G601-T604 PolarHBondContact O-OG1 3.18Å
602	P	96.3	Very high	94.5	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.026	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.2	-173.1	-35.5	41.5	0	0	0	117.2	V439 R567 K608 I611	V439-P602 HydrophobicContact CG1-CG 3.55Å; R567-P602 VanDerWaalsContact NE-CB 3.26Å; P602-K608 WeakPolarHBondContact O-CG 3.47Å; P602-I611 HydrophobicContact CB-CD1 3.83Å
603	W	94.6	Very high	93.7	Very high	47 Å²	47	73.7 Å²	73.7	18%	0.178	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.2	178.7	53.6	87.3	0	0	0	113.5	G486 N487 R550 Y560 D569 Y572 G601 K608	G486-W603 VanDerWaalsContact C-CZ2 3.42Å; N487-W603 WeakPolarHBondContact OD1-CZ2 3.3Å; R550-W603 VanDerWaalsContact NH1-CZ3 3.29Å; Y560-W603 HydrophobicContact CD1-CB 4.39Å; Y560-W603 AromaticContact CD1-CD1 3.8Å; Y560-W603 AromaticContact CD1-CD2 3.78Å; Y560-W603 HydrophobicContact CD1-CD2 3.78Å; Y560-W603 AromaticContact CD1-CE2 3.9Å; Y560-W603 HydrophobicContact CD1-CE3 4.43Å; Y560-W603 AromaticContact CD1-CG 3.73Å; Y560-W603 HydrophobicContact CD1-CG 3.73Å; Y560-W603 AromaticContact CD1-NE1 3.89Å; Y560-W603 AromaticContact CE1-CD1 3.9Å; Y560-W603 HydrophobicContact CE1-CG 4.29Å; Y560-W603 AromaticContact CE1-NE1 3.88Å; D569-W603 HydrophobicContact CB-CZ3 4.07Å; D569-W603 WeakPolarHBondContact OD2-CZ3 3.19Å; Y572-W603 WeakPolarHBondContact OH-CH2 3.24Å; G601-W603 PolarHBondContact O-N 3.04Å; W603-K608 WeakPolarHBondContact O-CE 3.44Å; W603-K608 PolarHBondContact O-NZ 3.38Å
604	T	96.4	Very high	92.7	Very high	45 Å²	45	75.6 Å²	75.6	28%	0.276	35%	0.353	S	S	.	.	S	Bend	trans	-73.3	163.5	177.6	69.2	0	0	0	0	111.2	G601 G607 K608	G601-T604 WeakPolarHBondContact O-CB 3.28Å; G601-T604 WeakPolarHBondContact O-CG2 3.37Å; G601-T604 PolarHBondContact O-N 3Å; G601-T604 PolarHBondContact O-OG1 3.18Å; T604-G607 PolarHBondContact O-N 3.18Å; T604-G607 PolarHBondContact OG1-N 3.25Å; T604-K608 VanDerWaalsContact O-CG 3.29Å; T604-K608 WeakPolarHBondContact O-CG 3.36Å; T604-K608 PolarHBondContact O-N 2.78Å
605	K	95.7	Very high	91.9	Very high	169 Å²	169	70.1 Å²	70.1	74%	0.735	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-48.6	175.7	-174.7	-179.4	175.9	-173.1	0	111	G607 K608 D609	K605-G607 PolarHBondContact O-N 2.96Å; K605-K608 PolarHBondContact O-N 2.76Å; K605-D609 PolarHBondContact O-N 2.77Å
606	E	95.1	Very high	91.4	Very high	141 Å²	141	69.2 Å²	69.2	66%	0.659	33%	0.334	S	S	*	.	H	α-helix	trans	-59.9	-43.1	177.8	-65.8	170	-170.6	0	0	112.3	P600 D609 R610	P600-E606 HydrophobicContact CB-CB 3.94Å; P600-E606 HydrophobicContact CG-CB 4.26Å; E606-D609 PolarHBondContact O-N 3.42Å; E606-R610 WeakPolarHBondContact O-CB 3.22Å; E606-R610 PolarHBondContact O-N 2.59Å
607	G	93.7	Very high	90.9	Very high	2 Å²	2	70.2 Å²	70.2	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-43.4	176	0	0	0	0	0	112.8	T604 K605 R610 I611	T604-G607 PolarHBondContact O-N 3.18Å; T604-G607 PolarHBondContact OG1-N 3.25Å; K605-G607 PolarHBondContact O-N 2.96Å; G607-R610 PolarHBondContact O-N 2.95Å; G607-I611 VanDerWaalsContact O-CG1 3.3Å; G607-I611 WeakPolarHBondContact O-CG1 3.47Å; G607-I611 PolarHBondContact O-N 3.2Å
608	K	92.9	Very high	90.6	Very high	127 Å²	127	70.2 Å²	70.2	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-43.5	175.7	-72.2	171	-178.2	171.2	0	112.1	P602 W603 T604 K605 R610 I611 K612	P602-K608 WeakPolarHBondContact O-CG 3.47Å; W603-K608 WeakPolarHBondContact O-CE 3.44Å; W603-K608 PolarHBondContact O-NZ 3.38Å; T604-K608 VanDerWaalsContact O-CG 3.29Å; T604-K608 WeakPolarHBondContact O-CG 3.36Å; T604-K608 PolarHBondContact O-N 2.78Å; K605-K608 PolarHBondContact O-N 2.76Å; K608-R610 VanDerWaalsContact C-N 3.32Å; K608-I611 PolarHBondContact O-N 2.75Å; K608-K612 WeakPolarHBondContact O-CB 3.27Å; K608-K612 PolarHBondContact O-N 2.79Å
609	D	91.5	Very high	90.3	Very high	90 Å²	90	64.2 Å²	64.2	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177.5	-70.1	-23.5	0	0	0	110.9	K605 E606 K612 K613	K605-D609 PolarHBondContact O-N 2.77Å; E606-D609 PolarHBondContact O-N 3.42Å; D609-K612 PolarHBondContact O-N 2.91Å; D609-K613 WeakPolarHBondContact O-CB 3.17Å; D609-K613 PolarHBondContact O-N 2.89Å
610	R	88.8	Confident	89.7	Confident	69 Å²	69	64.7 Å²	64.7	26%	0.26	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-44.6	175.2	-175.2	169.1	175.2	-95.2	5.5	112.8	V439 E599 E606 G607 K608 K612 K613 L614	V439-R610 PolarHBondContact O-NH1 2.99Å; E599-R610 IonicContact OE1-NH2 3.74Å; E599-R610 IonicContact OE2-CZ 2.75Å; E599-R610 IonicContact OE2-NH1 3.38Å; E599-R610 PolarHBondContact OE2-NH1 2.97Å; E599-R610 IonicContact OE2-NH2 2.79Å; E599-R610 PolarHBondContact OE2-NH2 3.4Å; E606-R610 WeakPolarHBondContact O-CB 3.22Å; E606-R610 PolarHBondContact O-N 2.59Å; G607-R610 PolarHBondContact O-N 2.95Å; K608-R610 VanDerWaalsContact C-N 3.32Å; R610-K612 VanDerWaalsContact C-N 3.26Å; R610-K612 PolarHBondContact O-N 3.05Å; R610-K613 PolarHBondContact O-N 3.38Å; R610-L614 HydrophobicContact CG-CD1 3.92Å; R610-L614 HydrophobicContact CG-CG 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.32Å; R610-L614 WeakPolarHBondContact O-CG 3.29Å; R610-L614 PolarHBondContact O-N 3.22Å
611	I	88.8	Confident	88.9	Confident	29 Å²	29	64.6 Å²	64.6	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-44.3	174.1	-75.8	167.4	0	0	0	110.5	M442 P602 G607 K608 G615 L616	M442-I611 HydrophobicContact CE-CG2 4.31Å; P602-I611 HydrophobicContact CB-CD1 3.83Å; G607-I611 VanDerWaalsContact O-CG1 3.3Å; G607-I611 WeakPolarHBondContact O-CG1 3.47Å; G607-I611 PolarHBondContact O-N 3.2Å; K608-I611 PolarHBondContact O-N 2.75Å; I611-G615 PolarHBondContact O-N 3.48Å; I611-L616 HydrophobicContact CG1-CD1 4.34Å; I611-L616 HydrophobicContact CG2-CB 4.25Å; I611-L616 PolarHBondContact O-N 3.44Å; I611-L616 VanDerWaalsContact O-N 3.1Å
612	K	87.1	Confident	87.6	Confident	147 Å²	147	74 Å²	74	64%	0.639	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-43.3	177.2	-173.9	-178.8	176.8	-172.8	0	112.1	K608 D609 R610 G615	K608-K612 WeakPolarHBondContact O-CB 3.27Å; K608-K612 PolarHBondContact O-N 2.79Å; D609-K612 PolarHBondContact O-N 2.91Å; R610-K612 VanDerWaalsContact C-N 3.26Å; R610-K612 PolarHBondContact O-N 3.05Å; K612-G615 PolarHBondContact O-N 3.05Å
613	K	80.8	Confident	86.1	Confident	172 Å²	172	75.6 Å²	75.6	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-62.7	-41.2	177.3	-176.1	178.5	179.2	-179.9	0	111.9	D609 R610 G615	D609-K613 WeakPolarHBondContact O-CB 3.17Å; D609-K613 PolarHBondContact O-N 2.89Å; R610-K613 PolarHBondContact O-N 3.38Å; K613-G615 VanDerWaalsContact C-N 3.25Å; K613-G615 PolarHBondContact O-N 2.98Å
614	L	78.8	Confident	85	Confident	41 Å²	41	76 Å²	76	22%	0.215	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.2	177	-67.9	177.7	0	0	0	113	P438 R610 L616 S722	P438-L614 HydrophobicContact CB-CD1 4.08Å; P438-L614 HydrophobicContact CG-CD1 4.16Å; R610-L614 HydrophobicContact CG-CD1 3.92Å; R610-L614 HydrophobicContact CG-CG 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.32Å; R610-L614 WeakPolarHBondContact O-CG 3.29Å; R610-L614 PolarHBondContact O-N 3.22Å; L614-L616 VanDerWaalsContact C-N 3.27Å; L614-L616 HydrophobicContact CB-CD1 4.26Å; L614-L616 HydrophobicContact CB-CD2 4.08Å; L614-L616 HydrophobicContact CB-CG 3.77Å; L614-L616 HydrophobicContact CD1-CD1 4.21Å; L614-L616 PolarHBondContact O-N 2.86Å; L614-S722 WeakPolarHBondContact O-CB 3.23Å
615	G	81.8	Confident	83.8	Confident	13 Å²	13	78.5 Å²	78.5	13%	0.134	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	31.7	-179.2	0	0	0	0	0	113.6	I611 K612 K613 T617	I611-G615 PolarHBondContact O-N 3.48Å; K612-G615 PolarHBondContact O-N 3.05Å; K613-G615 VanDerWaalsContact C-N 3.25Å; K613-G615 PolarHBondContact O-N 2.98Å; G615-T617 PolarHBondContact O-N 2.72Å
616	L	86.9	Confident	82.5	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.084	38%	0.376	C	S	.	.			trans	-73.7	120.8	-178.9	-53.2	177.3	0	0	0	109.9	P438 M442 I611 L614	P438-L616 HydrophobicContact CG-CD1 3.97Å; P438-L616 HydrophobicContact CG-CD2 4.03Å; M442-L616 HydrophobicContact CE-CB 4.39Å; M442-L616 WeakPolarHBondContact CE-O 3.49Å; I611-L616 HydrophobicContact CG1-CD1 4.34Å; I611-L616 HydrophobicContact CG2-CB 4.25Å; I611-L616 PolarHBondContact O-N 3.44Å; I611-L616 VanDerWaalsContact O-N 3.1Å; L614-L616 VanDerWaalsContact C-N 3.27Å; L614-L616 HydrophobicContact CB-CD1 4.26Å; L614-L616 HydrophobicContact CB-CD2 4.08Å; L614-L616 HydrophobicContact CB-CG 3.77Å; L614-L616 HydrophobicContact CD1-CD1 4.21Å; L614-L616 PolarHBondContact O-N 2.86Å
617	T	88	Confident	81.3	Confident	68 Å²	68	73.2 Å²	73.2	42%	0.417	37%	0.367	S	S	.	.			trans	-117.2	161.2	178.6	56.6	0	0	0	0	111.1	G615 Q619	G615-T617 PolarHBondContact O-N 2.72Å; T617-Q619 PolarHBondContact O-N 2.88Å
618	M	89.8	Confident	80.1	Confident	32 Å²	32	76 Å²	76	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	124.4	172.3	-175.2	61	66	0	0	110	M442 R444 E564 Y620	M442-M618 HydrophobicContact CB-CE 3.9Å; M442-M618 HydrophobicContact CB-SD 3.93Å; M442-M618 HydrophobicContact CG-CE 4.41Å; M442-M618 HydrophobicContact SD-CE 4.48Å; R444-M618 HydrophobicContact CB-CG 4.45Å; R444-M618 HydrophobicContact CB-SD 4.31Å; R444-M618 PolarHBondContact N-SD 3Å; E564-M618 HydrophobicContact CB-CE 3.98Å; E564-M618 HydrophobicContact CG-CE 4.15Å; E564-M618 WeakPolarHBondContact O-CE 3.34Å; M618-Y620 HydrophobicContact CB-CE2 3.84Å; M618-Y620 HydrophobicContact CG-CD2 4.35Å; M618-Y620 HydrophobicContact CG-CE1 4.13Å; M618-Y620 HydrophobicContact CG-CE2 3.67Å; M618-Y620 WeakPolarHBondContact O-CD2 3.26Å; M618-Y620 WeakPolarHBondContact O-CE2 3.37Å
619	Q	86	Confident	79.1	Confident	47 Å²	47	71.5 Å²	71.5	22%	0.22	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.5	176.9	-57.1	-66.1	9.4	0	0	110.4	M442 R444 Q448 T617	M442-Q619 WeakPolarHBondContact O-CB 3.45Å; M442-Q619 VanDerWaalsContact O-CG 3.26Å; M442-Q619 WeakPolarHBondContact O-CG 3.44Å; M442-Q619 PolarHBondContact O-N 2.86Å; R444-Q619 WeakPolarHBondContact CB-O 3.34Å; R444-Q619 PolarHBondContact N-O 2.84Å; Q448-Q619 PolarHBondContact NE2-O 3.4Å; Q448-Q619 VanDerWaalsContact NE2-O 3.17Å; Q448-Q619 PolarHBondContact OE1-O 3.48Å; T617-Q619 PolarHBondContact O-N 2.88Å
620	Y	82	Confident	78.1	Confident	64 Å²	64	71.3 Å²	71.3	25%	0.251	37%	0.367	S	S	.	.			trans	-113	153.9	177	-62.8	-88.4	0	0	0	110.1	R444 Q448 E564 M618 Y624 L625	R444-Y620 HydrophobicContact CB-CD1 3.69Å; R444-Y620 HydrophobicContact CB-CE1 3.96Å; R444-Y620 HydrophobicContact CB-CG 4.42Å; R444-Y620 HydrophobicContact CG-CD1 3.72Å; R444-Y620 HydrophobicContact CG-CE1 3.74Å; Q448-Y620 PolarHBondContact NE2-O 3.01Å; E564-Y620 PolarHBondContact OE1-OH 3.36Å; E564-Y620 PolarHBondContact OE2-OH 3.19Å; M618-Y620 HydrophobicContact CB-CE2 3.84Å; M618-Y620 HydrophobicContact CG-CD2 4.35Å; M618-Y620 HydrophobicContact CG-CE1 4.13Å; M618-Y620 HydrophobicContact CG-CE2 3.67Å; M618-Y620 WeakPolarHBondContact O-CD2 3.26Å; M618-Y620 WeakPolarHBondContact O-CE2 3.37Å; Y620-Y624 AromaticContact CD1-CD1 3.45Å; Y620-Y624 HydrophobicContact CD1-CD1 3.45Å; Y620-Y624 VanDerWaalsContact CD1-CD1 3.45Å; Y620-Y624 AromaticContact CD1-CE1 3.61Å; Y620-Y624 HydrophobicContact CD1-CE1 3.61Å; Y620-Y624 HydrophobicContact CE1-CD1 4.33Å; Y620-Y624 HydrophobicContact CE1-CE1 4.11Å; Y620-Y624 HydrophobicContact CG-CD1 4.06Å; Y620-L625 HydrophobicContact CD1-CD2 4.07Å; Y620-L625 HydrophobicContact CD2-CD1 3.93Å; Y620-L625 HydrophobicContact CD2-CD2 3.9Å; Y620-L625 HydrophobicContact CD2-CG 4.06Å; Y620-L625 HydrophobicContact CE1-CD2 4.2Å; Y620-L625 HydrophobicContact CE2-CD1 4.42Å; Y620-L625 HydrophobicContact CE2-CD2 4.04Å; Y620-L625 HydrophobicContact CG-CD1 4.41Å; Y620-L625 HydrophobicContact CG-CD2 3.92Å; Y620-L625 HydrophobicContact CG-CG 4.07Å
621	P	76.1	Confident	77.2	Confident	29 Å²	29	75.1 Å²	75.1	19%	0.188	38%	0.381	C	S	.	.			trans	-57	150	170	-21.5	33.1	0	0	0	110.4	M414 F445 Q448 G623 Y624	M414-P621 HydrophobicContact CE-CG 3.93Å; M414-P621 HydrophobicContact SD-CG 4.26Å; F445-P621 HydrophobicContact CD2-CG 3.5Å; F445-P621 VanDerWaalsContact CD2-CG 3.5Å; F445-P621 HydrophobicContact CE2-CG 3.8Å; Q448-P621 HydrophobicContact CG-CG 4.42Å; P621-G623 PolarHBondContact O-N 2.77Å; P621-Y624 WeakPolarHBondContact O-CB 3.37Å; P621-Y624 PolarHBondContact O-N 2.66Å
622	E	68.7	Low	76.4	Confident	202 Å²	202	80.1 Å²	80.1	94%	0.944	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	137.1	179.4	-163.8	170.6	-167.1	0	0	111	Y624	E622-Y624 PolarHBondContact O-N 3.47Å; E622-Y624 VanDerWaalsContact O-N 3.12Å
623	G	64.8	Low	75.8	Confident	37 Å²	37	80.9 Å²	80.9	38%	0.381	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-4.8	-174.9	0	0	0	0	0	116	P621 L625 E626 A627	P621-G623 PolarHBondContact O-N 2.77Å; G623-L625 PolarHBondContact O-N 3.09Å; G623-E626 PolarHBondContact O-N 3.27Å; G623-A627 WeakPolarHBondContact O-CB 3.44Å; G623-A627 PolarHBondContact O-N 2.93Å
624	Y	71	Confident	75.2	Confident	57 Å²	57	78.6 Å²	78.6	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-42.4	-175.4	-179.1	-100.3	0	0	0	113.6	F445 Y620 P621 E622 E626 A627 L628	F445-Y624 HydrophobicContact CE2-CD2 4.08Å; F445-Y624 HydrophobicContact CE2-CE1 4.21Å; F445-Y624 AromaticContact CE2-CE2 3.74Å; F445-Y624 HydrophobicContact CE2-CE2 3.74Å; F445-Y624 HydrophobicContact CE2-CG 4.48Å; F445-Y624 AromaticContact CE2-CZ 3.82Å; F445-Y624 HydrophobicContact CZ-CD2 4.42Å; F445-Y624 HydrophobicContact CZ-CE1 4.39Å; F445-Y624 AromaticContact CZ-CE2 3.66Å; F445-Y624 HydrophobicContact CZ-CE2 3.66Å; F445-Y624 AromaticContact CZ-CZ 3.64Å; Y620-Y624 AromaticContact CD1-CD1 3.45Å; Y620-Y624 HydrophobicContact CD1-CD1 3.45Å; Y620-Y624 VanDerWaalsContact CD1-CD1 3.45Å; Y620-Y624 AromaticContact CD1-CE1 3.61Å; Y620-Y624 HydrophobicContact CD1-CE1 3.61Å; Y620-Y624 HydrophobicContact CE1-CD1 4.33Å; Y620-Y624 HydrophobicContact CE1-CE1 4.11Å; Y620-Y624 HydrophobicContact CG-CD1 4.06Å; P621-Y624 WeakPolarHBondContact O-CB 3.37Å; P621-Y624 PolarHBondContact O-N 2.66Å; E622-Y624 PolarHBondContact O-N 3.47Å; E622-Y624 VanDerWaalsContact O-N 3.12Å; Y624-E626 VanDerWaalsContact C-N 3.35Å; Y624-A627 PolarHBondContact O-N 2.95Å; Y624-L628 HydrophobicContact CD1-CD1 3.88Å; Y624-L628 HydrophobicContact CD1-CG 4.44Å; Y624-L628 HydrophobicContact CE1-CD1 3.27Å; Y624-L628 HydrophobicContact CE1-CG 4.04Å; Y624-L628 PolarHBondContact O-N 3.27Å
625	L	71.6	Confident	74.9	Confident	96 Å²	96	82.2 Å²	82.2	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-34.5	-179.8	-67.1	177.2	0	0	0	112	Y620 G623 L628 A629	Y620-L625 HydrophobicContact CD1-CD2 4.07Å; Y620-L625 HydrophobicContact CD2-CD1 3.93Å; Y620-L625 HydrophobicContact CD2-CD2 3.9Å; Y620-L625 HydrophobicContact CD2-CG 4.06Å; Y620-L625 HydrophobicContact CE1-CD2 4.2Å; Y620-L625 HydrophobicContact CE2-CD1 4.42Å; Y620-L625 HydrophobicContact CE2-CD2 4.04Å; Y620-L625 HydrophobicContact CG-CD1 4.41Å; Y620-L625 HydrophobicContact CG-CD2 3.92Å; Y620-L625 HydrophobicContact CG-CG 4.07Å; G623-L625 PolarHBondContact O-N 3.09Å; L625-L628 PolarHBondContact O-N 2.94Å; L625-A629 WeakPolarHBondContact O-CB 3.06Å; L625-A629 PolarHBondContact O-N 2.78Å
626	E	69.4	Low	74.4	Confident	142 Å²	142	86.4 Å²	86.4	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-68.6	-44.3	175.9	-65.3	171.9	179.6	0	0	110.6	G623 Y624 L628 A629 N630	G623-E626 PolarHBondContact O-N 3.27Å; Y624-E626 VanDerWaalsContact C-N 3.35Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.83Å; E626-A629 PolarHBondContact O-N 2.77Å; E626-N630 WeakPolarHBondContact O-CB 3.31Å; E626-N630 VanDerWaalsContact O-CG 3.32Å; E626-N630 PolarHBondContact O-N 3.4Å
627	A	68.2	Low	73.5	Confident	58 Å²	58	89.8 Å²	89.8	48%	0.479	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-39.4	174.4	0	0	0	0	0	112.4	G623 Y624 R631	G623-A627 WeakPolarHBondContact O-CB 3.44Å; G623-A627 PolarHBondContact O-N 2.93Å; Y624-A627 PolarHBondContact O-N 2.95Å; A627-R631 WeakPolarHBondContact O-CB 3.46Å; A627-R631 PolarHBondContact O-N 3.29Å
628	L	69.2	Low	72.5	Confident	59 Å²	59	89.4 Å²	89.4	31%	0.309	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-46	173.5	-80.2	179.6	0	0	0	112.1	Y624 L625 E626 N630 R631 E632	Y624-L628 HydrophobicContact CD1-CD1 3.88Å; Y624-L628 HydrophobicContact CD1-CG 4.44Å; Y624-L628 HydrophobicContact CE1-CD1 3.27Å; Y624-L628 HydrophobicContact CE1-CG 4.04Å; Y624-L628 PolarHBondContact O-N 3.27Å; L625-L628 PolarHBondContact O-N 2.94Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.83Å; L628-N630 VanDerWaalsContact C-N 3.32Å; L628-N630 PolarHBondContact O-N 3.14Å; L628-R631 PolarHBondContact O-N 3.23Å; L628-E632 WeakPolarHBondContact O-CG 3.44Å; L628-E632 PolarHBondContact O-N 3.44Å
629	A	72.4	Confident	71.6	Confident	34 Å²	34	94.4 Å²	94.4	28%	0.281	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.9	0	0	0	0	0	111.8	L625 E626 E632 R633	L625-A629 WeakPolarHBondContact O-CB 3.06Å; L625-A629 PolarHBondContact O-N 2.78Å; E626-A629 PolarHBondContact O-N 2.77Å; A629-E632 PolarHBondContact O-N 2.99Å; A629-R633 WeakPolarHBondContact O-CB 3.37Å; A629-R633 VanDerWaalsContact O-CG 3.24Å; A629-R633 WeakPolarHBondContact O-CG 3.47Å; A629-R633 PolarHBondContact O-N 2.68Å
630	N	69.8	Low	70.6	Confident	86 Å²	86	98.5 Å²	98.5	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-64	-44.6	174.2	-72.4	-8.6	0	0	0	111.1	E626 L628 E632 R633 E634	E626-N630 WeakPolarHBondContact O-CB 3.31Å; E626-N630 VanDerWaalsContact O-CG 3.32Å; E626-N630 PolarHBondContact O-N 3.4Å; L628-N630 VanDerWaalsContact C-N 3.32Å; L628-N630 PolarHBondContact O-N 3.14Å; N630-E632 VanDerWaalsContact C-N 3.32Å; N630-E632 PolarHBondContact O-N 3.3Å; N630-R633 PolarHBondContact O-N 3.4Å; N630-E634 WeakPolarHBondContact O-CB 3.33Å; N630-E634 VanDerWaalsContact O-CG 3.31Å; N630-E634 WeakPolarHBondContact O-CG 3.13Å; N630-E634 PolarHBondContact O-N 2.91Å
631	R	70.1	Confident	69.4	Low	149 Å²	149	100.6 Å²	100.6	56%	0.562	49%	0.49	S	S	*	.	H	α-helix	trans	-64.8	-34.1	177.3	-166.9	178.8	-175.9	-176.9	3.4	113.2	A627 L628 K635	A627-R631 WeakPolarHBondContact O-CB 3.46Å; A627-R631 PolarHBondContact O-N 3.29Å; L628-R631 PolarHBondContact O-N 3.23Å; R631-K635 VanDerWaalsContact O-CG 3.29Å; R631-K635 WeakPolarHBondContact O-CG 3.35Å; R631-K635 PolarHBondContact O-N 3.27Å; R631-K635 VanDerWaalsContact O-N 3.07Å
632	E	72.7	Confident	68.4	Low	134 Å²	134	105.2 Å²	105.2	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-70.7	-41.2	174.1	-75.4	-177.7	170.8	0	0	111.6	L628 A629 N630 K635 E636	L628-E632 WeakPolarHBondContact O-CG 3.44Å; L628-E632 PolarHBondContact O-N 3.44Å; A629-E632 PolarHBondContact O-N 2.99Å; N630-E632 VanDerWaalsContact C-N 3.32Å; N630-E632 PolarHBondContact O-N 3.3Å; E632-K635 PolarHBondContact O-N 3.22Å; E632-E636 WeakPolarHBondContact O-CB 3.49Å; E632-E636 PolarHBondContact O-N 3.33Å
633	R	72.9	Confident	67.8	Low	162 Å²	162	101.9 Å²	101.9	61%	0.611	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-41.7	173	-71.9	172.9	-171.5	-165.8	5	112	A629 N630 E636 N637	A629-R633 WeakPolarHBondContact O-CB 3.37Å; A629-R633 VanDerWaalsContact O-CG 3.24Å; A629-R633 WeakPolarHBondContact O-CG 3.47Å; A629-R633 PolarHBondContact O-N 2.68Å; N630-R633 PolarHBondContact O-N 3.4Å; R633-E636 PolarHBondContact O-N 2.82Å; R633-N637 WeakPolarHBondContact O-CB 3.32Å; R633-N637 PolarHBondContact O-N 3.06Å
634	E	69.5	Low	67.3	Low	124 Å²	124	107.2 Å²	107.2	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-60.1	-46.3	174.1	-75.5	169.4	-176.3	0	0	111	N630 E636 N637 S638	N630-E634 WeakPolarHBondContact O-CB 3.33Å; N630-E634 VanDerWaalsContact O-CG 3.31Å; N630-E634 WeakPolarHBondContact O-CG 3.13Å; N630-E634 PolarHBondContact O-N 2.91Å; E634-E636 PolarHBondContact O-N 2.87Å; E634-N637 PolarHBondContact O-N 2.98Å; E634-S638 PolarHBondContact O-N 2.88Å; E634-S638 PolarHBondContact O-OG 3.47Å
635	K	71.4	Confident	66.4	Low	118 Å²	118	111.5 Å²	111.5	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-37	176.5	-75.2	174.7	-179.3	-179.1	0	113.3	R631 E632 K639	R631-K635 VanDerWaalsContact O-CG 3.29Å; R631-K635 WeakPolarHBondContact O-CG 3.35Å; R631-K635 PolarHBondContact O-N 3.27Å; R631-K635 VanDerWaalsContact O-N 3.07Å; E632-K635 PolarHBondContact O-N 3.22Å; K635-K639 WeakPolarHBondContact O-CB 3.31Å; K635-K639 WeakPolarHBondContact O-CG 3.08Å; K635-K639 PolarHBondContact O-N 2.74Å
636	E	71.1	Confident	65.3	Low	101 Å²	101	115 Å²	115	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-70.3	-39.4	177.3	-164.9	178.4	177.1	0	0	111	E632 R633 E634 K639 R640	E632-E636 WeakPolarHBondContact O-CB 3.49Å; E632-E636 PolarHBondContact O-N 3.33Å; R633-E636 PolarHBondContact O-N 2.82Å; E634-E636 PolarHBondContact O-N 2.87Å; E636-K639 PolarHBondContact O-N 2.87Å; E636-R640 WeakPolarHBondContact O-CG 3.49Å; E636-R640 PolarHBondContact O-N 3Å; E636-R640 IonicContact OE1-CZ 3.57Å; E636-R640 IonicContact OE1-NE 3.74Å; E636-R640 IonicContact OE1-NH2 2.73Å; E636-R640 PolarHBondContact OE1-NH2 2.81Å
637	N	68.4	Low	64.4	Low	87 Å²	87	117 Å²	117	47%	0.465	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-45.9	172.6	-76.7	-2.6	0	0	0	111.4	R633 E634 K639 R640 E641	R633-N637 WeakPolarHBondContact O-CB 3.32Å; R633-N637 PolarHBondContact O-N 3.06Å; E634-N637 PolarHBondContact O-N 2.98Å; N637-K639 VanDerWaalsContact C-N 3.3Å; N637-K639 PolarHBondContact O-N 3.26Å; N637-R640 PolarHBondContact O-N 3.29Å; N637-R640 VanDerWaalsContact O-N 3.17Å; N637-E641 WeakPolarHBondContact O-CG 3.23Å; N637-E641 PolarHBondContact O-N 3.41Å
638	S	67.4	Low	63.3	Low	60 Å²	60	117.5 Å²	117.5	42%	0.42	56%	0.564	S	S	.	*	H	α-helix	trans	-61.3	-36.9	176	-59.9	0	0	0	0	112.6	E634 E641 E642	E634-S638 PolarHBondContact O-N 2.88Å; E634-S638 PolarHBondContact O-OG 3.47Å; S638-E641 PolarHBondContact O-N 3.4Å; S638-E642 WeakPolarHBondContact O-CG 3.48Å; S638-E642 PolarHBondContact O-N 3.21Å
639	K	70.9	Confident	61.8	Low	137 Å²	137	117.3 Å²	117.3	60%	0.596	58%	0.577	S	S	*	*	H	α-helix	trans	-68	-39	174.3	-79.1	-178	176.5	-171.1	0	113	K635 E636 N637 E642 E643	K635-K639 WeakPolarHBondContact O-CB 3.31Å; K635-K639 WeakPolarHBondContact O-CG 3.08Å; K635-K639 PolarHBondContact O-N 2.74Å; E636-K639 PolarHBondContact O-N 2.87Å; N637-K639 VanDerWaalsContact C-N 3.3Å; N637-K639 PolarHBondContact O-N 3.26Å; K639-E642 PolarHBondContact O-N 2.92Å; K639-E643 WeakPolarHBondContact O-CG 3.16Å; K639-E643 PolarHBondContact O-N 2.92Å
640	R	64.9	Low	60.1	Low	132 Å²	132	125.9 Å²	125.9	50%	0.498	61%	0.608	S	S	.	*	H	α-helix	trans	-66.8	-37.9	175.6	-72.6	174.6	-173.6	-172.8	5.6	111.7	E636 N637 E643 E644	E636-R640 WeakPolarHBondContact O-CG 3.49Å; E636-R640 PolarHBondContact O-N 3Å; E636-R640 IonicContact OE1-CZ 3.57Å; E636-R640 IonicContact OE1-NE 3.74Å; E636-R640 IonicContact OE1-NH2 2.73Å; E636-R640 PolarHBondContact OE1-NH2 2.81Å; N637-R640 PolarHBondContact O-N 3.29Å; N637-R640 VanDerWaalsContact O-N 3.17Å; R640-E643 PolarHBondContact O-N 2.82Å; R640-E644 WeakPolarHBondContact O-CB 3.42Å; R640-E644 WeakPolarHBondContact O-CG 3.26Å; R640-E644 PolarHBondContact O-N 3.04Å
641	E	57.2	Low	58.7	Low	109 Å²	109	126.4 Å²	126.4	51%	0.509	62%	0.624	S	S	.	*	H	α-helix	trans	-66.2	-36.2	174.1	-73.1	172.1	-177.8	0	0	112.2	N637 S638 Q645	N637-E641 WeakPolarHBondContact O-CG 3.23Å; N637-E641 PolarHBondContact O-N 3.41Å; S638-E641 PolarHBondContact O-N 3.4Å; E641-Q645 WeakPolarHBondContact O-CB 3.36Å; E641-Q645 WeakPolarHBondContact O-CG 3.35Å; E641-Q645 PolarHBondContact O-N 3.33Å; E641-Q645 VanDerWaalsContact O-N 3.12Å
642	E	54.3	Low	57	Low	126 Å²	126	124.9 Å²	124.9	59%	0.589	64%	0.636	S	S	*	*	H	α-helix	trans	-69.3	-36.4	173.2	-77.8	177.1	175.3	0	0	112.8	S638 K639 Q646	S638-E642 WeakPolarHBondContact O-CG 3.48Å; S638-E642 PolarHBondContact O-N 3.21Å; K639-E642 PolarHBondContact O-N 2.92Å; E642-Q646 PolarHBondContact O-N 2.73Å
643	E	55.7	Low	55.9	Low	132 Å²	132	123.7 Å²	123.7	62%	0.617	64%	0.64	S	S	*	*	H	α-helix	trans	-71.6	-40.1	175.7	-74.8	175.8	177.4	0	0	112.1	K639 R640 Q645 Q646 E647	K639-E643 WeakPolarHBondContact O-CG 3.16Å; K639-E643 PolarHBondContact O-N 2.92Å; R640-E643 PolarHBondContact O-N 2.82Å; E643-Q645 VanDerWaalsContact C-N 3.33Å; E643-Q645 PolarHBondContact O-N 2.85Å; E643-Q646 PolarHBondContact O-N 2.95Å; E643-E647 PolarHBondContact O-N 2.83Å
644	E	54.8	Low	53.9	Low	148 Å²	148	127.9 Å²	127.9	69%	0.692	66%	0.656	S	S	*	*	H	α-helix	trans	-67.9	-30.6	175.2	-77	-178.8	172.6	0	0	112.8	R640 G648	R640-E644 WeakPolarHBondContact O-CB 3.42Å; R640-E644 WeakPolarHBondContact O-CG 3.26Å; R640-E644 PolarHBondContact O-N 3.04Å; E644-G648 PolarHBondContact O-N 2.87Å
645	Q	52.5	Low	52.1	Low	148 Å²	148	129 Å²	129	69%	0.692	67%	0.672	S	S	*	*	H	α-helix	trans	-74.8	-22.2	174.6	-75.6	173.7	37.2	0	0	113.4	E641 E643	E641-Q645 WeakPolarHBondContact O-CB 3.36Å; E641-Q645 WeakPolarHBondContact O-CG 3.35Å; E641-Q645 PolarHBondContact O-N 3.33Å; E641-Q645 VanDerWaalsContact O-N 3.12Å; E643-Q645 VanDerWaalsContact C-N 3.33Å; E643-Q645 PolarHBondContact O-N 2.85Å
646	Q	49.7	Very low	50	Low	168 Å²	168	127 Å²	127	79%	0.785	69%	0.685	S	S	*	*	H	α-helix	trans	-82.1	-26.8	174.2	-78.7	-178.7	14.4	0	0	113.4	E642 E643	E642-Q646 PolarHBondContact O-N 2.73Å; E643-Q646 PolarHBondContact O-N 2.95Å
647	E	49	Very low	48.2	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	71%	0.708	S	S	*	*	H	α-helix	trans	-85.2	-17.8	175.1	-72.4	-164.5	156.8	0	0	114	E643 G649	E643-E647 PolarHBondContact O-N 2.83Å; E647-G649 PolarHBondContact O-N 2.98Å
648	G	45.6	Very low	46.2	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	72%	0.723	S	S	*	*	S	Bend	trans	-84.3	3.1	-176.9	0	0	0	0	0	116.9	E644	E644-G648 PolarHBondContact O-N 2.87Å
649	G	38	Very low	44.6	Very low	56 Å²	56	139.2 Å²	139.2	58%	0.577	75%	0.746	S	S	*	*			trans	-111.1	49.2	-161.6	0	0	0	0	0	117.4	E647	E647-G649 PolarHBondContact O-N 2.98Å
650	F	36.2	Very low	42.4	Very low	213 Å²	213	145 Å²	145	93%	0.934	76%	0.764	S	S	*	*			trans	-160.2	106.2	153.8	-125.9	-87.3	0	0	0	111.8
651	A	39.8	Very low	40.6	Very low	98 Å²	98	146.9 Å²	146.9	81%	0.81	78%	0.776	S	S	*	*			trans	-143.7	118.6	164.5	0	0	0	0	0	111.1
652	S	34.7	Very low	39.2	Very low	116 Å²	116	151.8 Å²	151.8	81%	0.811	79%	0.79	S	S	*	*			trans	-169.3	162.2	149.8	-120.4	0	0	0	0	112.9
653	P	49.8	Very low	38	Very low	109 Å²	109	154.8 Å²	154.8	71%	0.708	80%	0.801	S	S	*	*				-131.4	145.7	-99.2	33.9	-15.4	0	0	0	112.9
654	R	30.3	Very low	36.6	Very low	250 Å²	250	153.6 Å²	153.6	94%	0.943	81%	0.807	S	S	*	*			trans	-145.1	139	160.5	-74.7	-163.7	174.5	-169.7	-2.2	113.4
655	T	32.2	Very low	35.3	Very low	148 Å²	148	151.2 Å²	151.2	91%	0.908	81%	0.813	S	S	*	*			trans	-61.7	138.9	174.4	42.7	0	0	0	0	112.3
656	G	28.1	Very low	34	Very low	77 Å²	77	148.4 Å²	148.4	79%	0.794	82%	0.823	S	S	*	*			trans	174.5	114.6	171.7	0	0	0	0	0	113.1
657	K	33	Very low	32.8	Very low	222 Å²	222	144.3 Å²	144.3	97%	0.965	83%	0.826	S	S	*	*			trans	-61.4	140.5	177.3	-68.5	172.1	174.4	172.9	0	111.7
658	G	26.6	Very low	31.5	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	82%	0.823	S	S	*	*			trans	175.4	95.7	164.4	0	0	0	0	0	114.6
659	K	34.4	Very low	31.5	Very low	206 Å²	206	141.8 Å²	141.8	90%	0.896	83%	0.828	S	S	*	*			trans	-53.1	137.8	160.1	-84.8	171.3	168.9	170.4	0	109.8
660	W	24.1	Very low	30.8	Very low	259 Å²	259	144.1 Å²	144.1	98%	0.981	84%	0.836	S	S	*	*				-163	159.3	121.1	-123.7	26.3	0	0	0	115.6
661	K	26.6	Very low	30.3	Very low	172 Å²	172	145.9 Å²	145.9	75%	0.748	84%	0.836	S	S	*	*			trans	-120.9	130.1	-161	-165	-174.6	-171.7	177.4	0	108
662	R	28.9	Very low	29.7	Very low	212 Å²	212	146.2 Å²	146.2	80%	0.8	84%	0.838	S	S	*	*			trans	60.9	142.5	145	-89.6	-175.2	172.9	-179.2	-1.7	123.6
663	K	28.6	Very low	29.5	Very low	188 Å²	188	144.3 Å²	144.3	82%	0.817	84%	0.838	S	S	*	*			trans	80.4	145.9	152.8	-70.3	177	175.2	-169.1	0	115.6
664	S	25.2	Very low	28.3	Very low	107 Å²	107	145 Å²	145	75%	0.748	84%	0.844	S	S	*	*			cis	-161.3	140.5	28.9	-128	0	0	0	0	108.4
665	A	29.1	Very low	28.3	Very low	98 Å²	98	138.4 Å²	138.4	81%	0.81	83%	0.834	S	S	*	*				66.7	119.7	94.1	0	0	0	0	0	117.8
666	G	25.1	Very low	28.2	Very low	89 Å²	89	143 Å²	143	92%	0.918	84%	0.835	S	S	*	*			trans	118.5	118.1	133.1	0	0	0	0	0	119.6
667	G	22.7	Very low	28.1	Very low	82 Å²	82	150.8 Å²	150.8	85%	0.845	84%	0.84	S	S	*	*			trans	143.9	98.7	152.4	0	0	0	0	0	116.5
668	G	23.2	Very low	27.9	Very low	78 Å²	78	146.2 Å²	146.2	80%	0.804	83%	0.831	S	S	*	*			trans	-83.5	-161	162.2	0	0	0	0	0	111.9
669	P	44.8	Very low	28.1	Very low	122 Å²	122	148.1 Å²	148.1	79%	0.792	83%	0.833	S	S	*	*			cis	-124.5	168.7	-6.5	33.8	-13.7	0	0	0	113.1
670	S	23.4	Very low	27.8	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	83%	0.831	S	S	*	*				167.4	130.7	95.8	-59	0	0	0	0	112.5
671	R	27	Very low	28.3	Very low	250 Å²	250	145.1 Å²	145.1	94%	0.943	83%	0.827	S	S	*	*			trans	40	117.4	141.3	-65.7	-179.8	165.9	-168	-4.2	121.2
672	A	25.9	Very low	28.8	Very low	104 Å²	104	141.7 Å²	141.7	86%	0.86	82%	0.82	S	S	*	*				174	125.9	91.2	0	0	0	0	0	110.3
673	G	30.1	Very low	29.1	Very low	77 Å²	77	140.8 Å²	140.8	79%	0.794	82%	0.822	S	S	*	*			trans	-84.7	154.6	176.8	0	0	0	0	0	113.3
674	S	24.7	Very low	29.9	Very low	122 Å²	122	135.1 Å²	135.1	85%	0.853	80%	0.803	S	S	*	*			trans	-146	148.8	152.7	-93.9	0	0	0	0	110.8
675	P	30.8	Very low	30.9	Very low	112 Å²	112	137.1 Å²	137.1	73%	0.727	80%	0.8	S	S	*	*			trans	-97.1	143.7	-142.4	33.6	-29.3	0	0	0	113.6	R677	P675-R677 PolarHBondContact O-N 3.07Å
676	R	29.5	Very low	32.2	Very low	244 Å²	244	137.6 Å²	137.6	92%	0.921	80%	0.796	S	S	*	*			trans	-56.1	107.1	161.4	-106.7	177.9	169.2	-162.7	-2.4	108.9	T678	R676-T678 PolarHBondContact O-N 3.29Å
677	R	26	Very low	34.1	Very low	242 Å²	242	135.7 Å²	135.7	91%	0.913	76%	0.761	S	S	*	*			trans	-68.5	99.2	161.6	-83.1	175.4	95.7	-168.3	8.4	107.6	P675 S679	P675-R677 PolarHBondContact O-N 3.07Å; R677-S679 PolarHBondContact O-N 2.76Å
678	T	29.2	Very low	36.1	Very low	125 Å²	125	136.4 Å²	136.4	77%	0.767	75%	0.753	S	S	*	*			trans	-62.9	124.7	156.8	46.3	0	0	0	0	107.4	R676 K680	R676-T678 PolarHBondContact O-N 3.29Å; T678-K680 PolarHBondContact O-N 3.44Å
679	S	31.5	Very low	38.6	Very low	116 Å²	116	134 Å²	134	81%	0.811	72%	0.721	S	S	*	*			trans	-61.1	107.9	170.6	41.8	0	0	0	0	107.9	R677 K681	R677-S679 PolarHBondContact O-N 2.76Å; S679-K681 PolarHBondContact O-N 2.76Å
680	K	27.2	Very low	40.3	Very low	199 Å²	199	131.5 Å²	131.5	87%	0.865	70%	0.704	S	S	*	*			trans	-52.3	114.4	168.3	-109.3	176.9	175.8	174.4	0	107.2	T678 T682	T678-K680 PolarHBondContact O-N 3.44Å; K680-T682 PolarHBondContact O-N 3.25Å
681	K	35.6	Very low	42.9	Very low	202 Å²	202	130.5 Å²	130.5	88%	0.878	70%	0.702	S	S	*	*			trans	-54.7	111.6	167.9	-74	-178	178.1	179.6	0	107.4	S679 K683	S679-K681 PolarHBondContact O-N 2.76Å; K681-K683 PolarHBondContact O-N 3.45Å
682	T	35.8	Very low	45.4	Very low	100 Å²	100	124.7 Å²	124.7	61%	0.613	69%	0.686	S	S	*	*			trans	-58.5	120.7	175.3	-57.5	0	0	0	0	108	K680 V684	K680-T682 PolarHBondContact O-N 3.25Å; T682-V684 VanDerWaalsContact C-N 3.32Å; T682-V684 PolarHBondContact O-N 2.76Å
683	K	35.1	Very low	48.2	Very low	194 Å²	194	120.7 Å²	120.7	84%	0.843	65%	0.649	S	S	*	*			trans	-68.1	91.7	176.4	-149	-177.9	-173.1	-171.6	0	107	K681 E685	K681-K683 PolarHBondContact O-N 3.45Å; K683-E685 PolarHBondContact O-N 3.19Å
684	V	45.6	Very low	50.8	Low	69 Å²	69	118.5 Å²	118.5	42%	0.418	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-68.2	117.1	167.7	-178.4	0	0	0	0	105.7	T682 P723	T682-V684 VanDerWaalsContact C-N 3.32Å; T682-V684 PolarHBondContact O-N 2.76Å; V684-P723 HydrophobicContact CG1-CG 4.21Å
685	E	47.6	Very low	53.8	Low	148 Å²	148	114.8 Å²	114.8	69%	0.692	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-65	138.4	174.2	-72.1	-162.7	151.4	0	0	109.3	K683 Y687	K683-E685 PolarHBondContact O-N 3.19Å; E685-Y687 PolarHBondContact O-N 2.98Å
686	P	55.6	Low	56.5	Low	109 Å²	109	110.6 Å²	110.6	71%	0.708	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-57.7	132.1	171.8	23.7	-30.6	0	0	0	109	S688	P686-S688 PolarHBondContact O-N 3.43Å
687	Y	64.3	Low	59.4	Low	49 Å²	49	99.3 Å²	99.3	19%	0.192	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-61.1	124.7	173.6	170.8	-105.2	0	0	0	108.4	E685 L689 L714 F724 F727	E685-Y687 PolarHBondContact O-N 2.98Å; Y687-L689 HydrophobicContact CE1-CD2 3.82Å; Y687-L689 HydrophobicContact CE1-CG 4.28Å; Y687-L714 HydrophobicContact CD1-CD2 3.74Å; Y687-L714 HydrophobicContact CE1-CD2 4.36Å; Y687-F724 HydrophobicContact CD1-CD2 4.26Å; Y687-F724 HydrophobicContact CD2-CB 3.82Å; Y687-F724 AromaticContact CD2-CD2 3.81Å; Y687-F724 HydrophobicContact CD2-CD2 3.81Å; Y687-F724 HydrophobicContact CD2-CG 4.16Å; Y687-F724 AromaticContact CE1-CD2 3.75Å; Y687-F724 HydrophobicContact CE1-CD2 3.75Å; Y687-F724 HydrophobicContact CE1-CE2 4.37Å; Y687-F724 HydrophobicContact CE2-CB 4.13Å; Y687-F724 AromaticContact CE2-CD2 3.22Å; Y687-F724 HydrophobicContact CE2-CD2 3.22Å; Y687-F724 AromaticContact CE2-CE2 3.82Å; Y687-F724 HydrophobicContact CE2-CE2 3.82Å; Y687-F724 AromaticContact CE2-CG 3.94Å; Y687-F724 HydrophobicContact CE2-CG 3.94Å; Y687-F724 HydrophobicContact CG-CB 4.1Å; Y687-F724 HydrophobicContact CG-CD2 4.3Å; Y687-F724 AromaticContact CZ-CD2 3.2Å; Y687-F724 AromaticContact CZ-CE2 3.59Å; Y687-F724 WeakPolarHBondContact OH-CD2 3.16Å; Y687-F724 VanDerWaalsContact OH-CE2 3.24Å; Y687-F724 WeakPolarHBondContact OH-CE2 3.49Å; Y687-F727 HydrophobicContact CD1-CB 4.35Å; Y687-F727 HydrophobicContact CD1-CG 4.45Å; Y687-F727 HydrophobicContact CE1-CB 4.38Å; Y687-F727 AromaticContact CE1-CD1 3.78Å; Y687-F727 HydrophobicContact CE1-CD1 3.78Å; Y687-F727 HydrophobicContact CE1-CE1 4.3Å; Y687-F727 HydrophobicContact CE1-CG 4.07Å
688	S	65.8	Low	62.4	Low	97 Å²	97	96.1 Å²	96.1	68%	0.678	51%	0.513	S	S	*	.			trans	-114.9	132.7	174.9	52	0	0	0	0	108.6	P686	P686-S688 PolarHBondContact O-N 3.43Å
689	L	75.5	Confident	65.4	Low	26 Å²	26	94.9 Å²	94.9	14%	0.136	50%	0.498	C	S	.	.			trans	-61.5	144	172.9	-68.9	166.6	0	0	0	109.6	Y687 Q693 S694 I697 L711 L714 F727	Y687-L689 HydrophobicContact CE1-CD2 3.82Å; Y687-L689 HydrophobicContact CE1-CG 4.28Å; L689-Q693 HydrophobicContact CB-CB 4.22Å; L689-Q693 HydrophobicContact CD2-CB 4.11Å; L689-S694 WeakPolarHBondContact CB-OG 3.4Å; L689-I697 HydrophobicContact CD1-CD1 3.75Å; L689-I697 HydrophobicContact CD2-CD1 4.44Å; L689-L711 HydrophobicContact CD1-CD2 3.36Å; L689-L714 HydrophobicContact CD1-CD1 4.23Å; L689-L714 HydrophobicContact CG-CD1 4.44Å; L689-F727 HydrophobicContact CD1-CZ 4.41Å; L689-F727 HydrophobicContact CD2-CD1 4.5Å; L689-F727 HydrophobicContact CD2-CE1 3.72Å; L689-F727 HydrophobicContact CD2-CE2 4.35Å; L689-F727 HydrophobicContact CD2-CZ 3.64Å
690	T	80.4	Confident	68.4	Low	70 Å²	70	89.4 Å²	89.4	43%	0.429	46%	0.46	S	S	.	.			trans	-60.5	156.3	169.3	63.2	0	0	0	0	110.1	Q692 Q693 S694	T690-Q692 PolarHBondContact O-N 3.08Å; T690-Q693 PolarHBondContact O-N 2.82Å; T690-Q693 WeakPolarHBondContact OG1-CB 3.33Å; T690-Q693 VanDerWaalsContact OG1-CD 3.24Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.28Å; T690-Q693 PolarHBondContact OG1-N 2.85Å; T690-Q693 VanDerWaalsContact OG1-N 3.13Å; T690-Q693 PolarHBondContact OG1-OE1 2.84Å; T690-S694 WeakPolarHBondContact O-CB 3.39Å; T690-S694 PolarHBondContact O-N 3.4Å; T690-S694 PolarHBondContact O-OG 3.15Å
691	A	77.2	Confident	71.5	Confident	85 Å²	85	88.3 Å²	88.3	70%	0.702	46%	0.455	S	S	*	.	H	α-helix	trans	-56.7	-35.9	176.4	0	0	0	0	0	111.8	S695	A691-S695 PolarHBondContact O-N 2.87Å
692	Q	80.9	Confident	74.1	Confident	128 Å²	128	81.3 Å²	81.3	60%	0.598	43%	0.432	S	S	*	.	H	α-helix	trans	-66.6	-51.2	176.1	-170.1	-179.3	8.6	0	0	112.1	T690 S694 S695 L696	T690-Q692 PolarHBondContact O-N 3.08Å; Q692-S694 VanDerWaalsContact C-N 3.27Å; Q692-S694 PolarHBondContact O-N 2.82Å; Q692-S695 WeakPolarHBondContact O-CB 3.39Å; Q692-S695 PolarHBondContact O-N 2.97Å; Q692-S695 VanDerWaalsContact O-N 3.08Å; Q692-L696 HydrophobicContact CG-CD1 4.16Å; Q692-L696 WeakPolarHBondContact O-CG 3.34Å; Q692-L696 PolarHBondContact O-N 2.75Å
693	Q	82.9	Confident	76.9	Confident	21 Å²	21	76.6 Å²	76.6	10%	0.098	40%	0.403	C	S	.	.	H	α-helix	trans	-58.1	-42.2	176.7	-75.1	163.4	-28.5	0	0	111.6	L689 T690 S695 L696 I697 Q797 L798	L689-Q693 HydrophobicContact CB-CB 4.22Å; L689-Q693 HydrophobicContact CD2-CB 4.11Å; T690-Q693 PolarHBondContact O-N 2.82Å; T690-Q693 WeakPolarHBondContact OG1-CB 3.33Å; T690-Q693 VanDerWaalsContact OG1-CD 3.24Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.28Å; T690-Q693 PolarHBondContact OG1-N 2.85Å; T690-Q693 VanDerWaalsContact OG1-N 3.13Å; T690-Q693 PolarHBondContact OG1-OE1 2.84Å; Q693-S695 VanDerWaalsContact C-N 3.29Å; Q693-S695 PolarHBondContact O-N 2.7Å; Q693-L696 PolarHBondContact O-N 3.46Å; Q693-I697 WeakPolarHBondContact O-CB 3.45Å; Q693-I697 VanDerWaalsContact O-CG1 3.31Å; Q693-I697 WeakPolarHBondContact O-CG1 3.43Å; Q693-I697 PolarHBondContact O-N 3.08Å; Q693-Q797 HydrophobicContact CG-CG 4.37Å; Q693-L798 HydrophobicContact CG-CD2 4.35Å
694	S	85.9	Confident	79.6	Confident	31 Å²	31	69.5 Å²	69.5	22%	0.217	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-33	178.1	-59.1	0	0	0	0	112.5	L689 T690 Q692 R698	L689-S694 WeakPolarHBondContact CB-OG 3.4Å; T690-S694 WeakPolarHBondContact O-CB 3.39Å; T690-S694 PolarHBondContact O-N 3.4Å; T690-S694 PolarHBondContact O-OG 3.15Å; Q692-S694 VanDerWaalsContact C-N 3.27Å; Q692-S694 PolarHBondContact O-N 2.82Å; S694-R698 WeakPolarHBondContact O-CG 3.37Å; S694-R698 PolarHBondContact O-N 2.77Å; S694-R698 PolarHBondContact O-NE 3.38Å; S694-R698 PolarHBondContact O-NH1 3.18Å
695	S	87.3	Confident	81.8	Confident	44 Å²	44	72.9 Å²	72.9	31%	0.308	39%	0.39	S	S	.	.	H	α-helix	trans	-69.1	-51.4	174.4	-165.2	0	0	0	0	111.2	A691 Q692 Q693 I697 R698 E699	A691-S695 PolarHBondContact O-N 2.87Å; Q692-S695 WeakPolarHBondContact O-CB 3.39Å; Q692-S695 PolarHBondContact O-N 2.97Å; Q692-S695 VanDerWaalsContact O-N 3.08Å; Q693-S695 VanDerWaalsContact C-N 3.29Å; Q693-S695 PolarHBondContact O-N 2.7Å; S695-I697 VanDerWaalsContact C-N 3.3Å; S695-I697 PolarHBondContact O-N 2.89Å; S695-R698 WeakPolarHBondContact O-CA 3.11Å; S695-R698 WeakPolarHBondContact O-CB 3.21Å; S695-R698 PolarHBondContact O-N 3.12Å; S695-E699 PolarHBondContact O-N 2.76Å; S695-E699 VanDerWaalsContact O-N 3.11Å; S695-E699 PolarHBondContact OG-OE1 2.93Å
696	L	87.5	Confident	83.9	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-38.2	-177.5	-68.6	167.7	0	0	0	112	Q692 Q693 R698 E699 T793 V794 Q797	Q692-L696 HydrophobicContact CG-CD1 4.16Å; Q692-L696 WeakPolarHBondContact O-CG 3.34Å; Q692-L696 PolarHBondContact O-N 2.75Å; Q693-L696 PolarHBondContact O-N 3.46Å; L696-R698 VanDerWaalsContact C-N 3.31Å; L696-R698 PolarHBondContact O-N 3.1Å; L696-E699 WeakPolarHBondContact O-CB 3.39Å; L696-E699 PolarHBondContact O-N 2.59Å; L696-T793 HydrophobicContact CD1-CG2 4.15Å; L696-T793 HydrophobicContact CD2-CG2 3.83Å; L696-V794 HydrophobicContact CB-CG2 3.5Å; L696-V794 WeakPolarHBondContact O-CG2 3.28Å; L696-Q797 VanDerWaalsContact CD1-OE1 3.22Å
697	I	90.8	Very high	85.7	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-38.1	173.9	-73.2	167.1	0	0	0	111.7	L689 Q693 S695 E699 D700 W707 L711 V794	L689-I697 HydrophobicContact CD1-CD1 3.75Å; L689-I697 HydrophobicContact CD2-CD1 4.44Å; Q693-I697 WeakPolarHBondContact O-CB 3.45Å; Q693-I697 VanDerWaalsContact O-CG1 3.31Å; Q693-I697 WeakPolarHBondContact O-CG1 3.43Å; Q693-I697 PolarHBondContact O-N 3.08Å; S695-I697 VanDerWaalsContact C-N 3.3Å; S695-I697 PolarHBondContact O-N 2.89Å; I697-E699 VanDerWaalsContact C-N 3.3Å; I697-E699 PolarHBondContact O-N 3.15Å; I697-D700 PolarHBondContact O-N 3.02Å; I697-W707 HydrophobicContact CB-CD2 4.45Å; I697-W707 HydrophobicContact CD1-CE3 4.1Å; I697-W707 HydrophobicContact CD1-CH2 4.5Å; I697-W707 HydrophobicContact CD1-CZ3 3.96Å; I697-W707 HydrophobicContact CG1-CD2 4.2Å; I697-W707 HydrophobicContact CG1-CE3 4Å; I697-W707 HydrophobicContact CG1-CH2 4.16Å; I697-W707 HydrophobicContact CG1-CZ2 4.32Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; I697-W707 HydrophobicContact CG2-CB 3.83Å; I697-W707 HydrophobicContact CG2-CD2 3.66Å; I697-W707 HydrophobicContact CG2-CE3 3.87Å; I697-W707 HydrophobicContact CG2-CG 3.65Å; I697-L711 HydrophobicContact CG2-CD1 4.22Å; I697-V794 HydrophobicContact CD1-CG1 4.45Å; I697-V794 HydrophobicContact CG1-CG1 3.74Å; I697-V794 HydrophobicContact CG1-CG2 4.12Å
698	R	89.8	Confident	86.9	Confident	175 Å²	175	65.5 Å²	65.5	66%	0.66	35%	0.352	S	S	*	.	H	α-helix	trans	-72.8	-22.3	177.6	-72.9	-174.6	-63.1	-102.2	0.6	113.3	S694 S695 L696 D700	S694-R698 WeakPolarHBondContact O-CG 3.37Å; S694-R698 PolarHBondContact O-N 2.77Å; S694-R698 PolarHBondContact O-NE 3.38Å; S694-R698 PolarHBondContact O-NH1 3.18Å; S695-R698 WeakPolarHBondContact O-CA 3.11Å; S695-R698 WeakPolarHBondContact O-CB 3.21Å; S695-R698 PolarHBondContact O-N 3.12Å; L696-R698 VanDerWaalsContact C-N 3.31Å; L696-R698 PolarHBondContact O-N 3.1Å; R698-D700 VanDerWaalsContact C-N 3.33Å
699	E	92.1	Very high	88	Confident	99 Å²	99	65.7 Å²	65.7	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-73	-26.9	177.3	-71.7	164.2	-149.9	0	0	112.1	S695 L696 I697 K701 P790	S695-E699 PolarHBondContact O-N 2.76Å; S695-E699 VanDerWaalsContact O-N 3.11Å; S695-E699 PolarHBondContact OG-OE1 2.93Å; L696-E699 WeakPolarHBondContact O-CB 3.39Å; L696-E699 PolarHBondContact O-N 2.59Å; I697-E699 VanDerWaalsContact C-N 3.3Å; I697-E699 PolarHBondContact O-N 3.15Å; E699-K701 VanDerWaalsContact C-N 3.27Å; E699-K701 PolarHBondContact O-N 3.36Å; E699-P790 HydrophobicContact CB-CB 4.31Å
700	D	93.3	Very high	88.6	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.336	C	S	.	.			trans	-78.6	71.6	173.7	-174.9	9.5	0	0	0	112.2	I697 R698 S702 N703 A704 W707 N788 P790 L791	I697-D700 PolarHBondContact O-N 3.02Å; R698-D700 VanDerWaalsContact C-N 3.33Å; D700-S702 PolarHBondContact O-N 3.38Å; D700-S702 PolarHBondContact OD1-OG 3.02Å; D700-N703 PolarHBondContact O-N 2.9Å; D700-N703 PolarHBondContact OD1-N 3.39Å; D700-N703 PolarHBondContact OD1-ND2 3.23Å; D700-N703 VanDerWaalsContact OD1-ND2 3.12Å; D700-N703 VanDerWaalsContact OD2-CB 3.3Å; D700-N703 WeakPolarHBondContact OD2-CB 3.28Å; D700-N703 PolarHBondContact OD2-ND2 3.46Å; D700-A704 PolarHBondContact O-N 3.28Å; D700-W707 PolarHBondContact OD2-NE1 3.06Å; D700-N788 PolarHBondContact OD1-ND2 3.29Å; D700-P790 HydrophobicContact CB-CB 3.84Å; D700-L791 WeakPolarHBondContact OD2-CB 3.2Å
701	K	92.3	Very high	88.9	Confident	176 Å²	176	63.7 Å²	63.7	77%	0.765	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.3	-31.6	-178.7	-62.1	-178.2	-176.1	176	0	112.9	E699 N703 A704	E699-K701 VanDerWaalsContact C-N 3.27Å; E699-K701 PolarHBondContact O-N 3.36Å; K701-N703 VanDerWaalsContact C-N 3.32Å; K701-N703 PolarHBondContact O-N 3.46Å; K701-A704 WeakPolarHBondContact O-CB 3.48Å; K701-A704 PolarHBondContact O-N 3.29Å
702	S	90.3	Very high	89.2	Confident	55 Å²	55	62.1 Å²	62.1	39%	0.385	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.3	-32.5	-179.5	33.5	0	0	0	0	113.4	D700 N788	D700-S702 PolarHBondContact O-N 3.38Å; D700-S702 PolarHBondContact OD1-OG 3.02Å; S702-N788 PolarHBondContact OG-ND2 3.07Å
703	N	94.6	Very high	88.8	Confident	2 Å²	2	57 Å²	57	1%	0.011	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-107	20.9	178.8	-60.6	-60.8	0	0	0	113.1	D700 K701 K705 L706 W707 F735 T749 N755 N788	D700-N703 PolarHBondContact O-N 2.9Å; D700-N703 PolarHBondContact OD1-N 3.39Å; D700-N703 PolarHBondContact OD1-ND2 3.23Å; D700-N703 VanDerWaalsContact OD1-ND2 3.12Å; D700-N703 VanDerWaalsContact OD2-CB 3.3Å; D700-N703 WeakPolarHBondContact OD2-CB 3.28Å; D700-N703 PolarHBondContact OD2-ND2 3.46Å; K701-N703 VanDerWaalsContact C-N 3.32Å; K701-N703 PolarHBondContact O-N 3.46Å; N703-K705 PolarHBondContact O-N 3.27Å; N703-K705 VanDerWaalsContact O-N 3.08Å; N703-L706 HydrophobicContact CB-CB 4.38Å; N703-L706 HydrophobicContact CB-CD1 4.33Å; N703-L706 PolarHBondContact O-N 3.2Å; N703-W707 PolarHBondContact O-N 2.82Å; N703-F735 HydrophobicContact CB-CE1 3.96Å; N703-F735 HydrophobicContact CB-CZ 4.18Å; N703-T749 PolarHBondContact ND2-OG1 2.74Å; N703-T749 WeakPolarHBondContact OD1-CG2 3.29Å; N703-N755 PolarHBondContact ND2-OD1 3.25Å; N703-N755 PolarHBondContact OD1-ND2 2.85Å; N703-N755 PolarHBondContact OD1-OD1 3.14Å; N703-N788 PolarHBondContact ND2-ND2 3.22Å; N703-N788 VanDerWaalsContact ND2-ND2 3.14Å
704	A	91.9	Very high	88.2	Confident	45 Å²	45	58 Å²	58	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-53.1	-36.4	-176.3	0	0	0	0	0	113.2	D700 K701 N708	D700-A704 PolarHBondContact O-N 3.28Å; K701-A704 WeakPolarHBondContact O-CB 3.48Å; K701-A704 PolarHBondContact O-N 3.29Å; A704-N708 WeakPolarHBondContact O-CB 3.43Å; A704-N708 PolarHBondContact O-N 3.47Å; A704-N708 PolarHBondContact O-ND2 3.17Å; A704-N708 VanDerWaalsContact O-ND2 3.11Å
705	K	91.4	Very high	87.3	Confident	139 Å²	139	65.3 Å²	65.3	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-65.9	-48.4	176.9	-167.8	-177.3	176.8	-172.6	0	112.1	N703 W707 N708 E709	N703-K705 PolarHBondContact O-N 3.27Å; N703-K705 VanDerWaalsContact O-N 3.08Å; K705-W707 VanDerWaalsContact C-N 3.34Å; K705-W707 PolarHBondContact O-N 2.84Å; K705-N708 PolarHBondContact O-N 3.12Å; K705-E709 WeakPolarHBondContact O-CG 3.47Å; K705-E709 PolarHBondContact O-N 2.9Å; K705-E709 VanDerWaalsContact O-N 3.12Å
706	L	92.1	Very high	86.2	Confident	42 Å²	42	68.2 Å²	68.2	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-43.1	177.5	-62.9	177.1	0	0	0	111	N703 N708 E709 V710 T734 F735 N755	N703-L706 HydrophobicContact CB-CB 4.38Å; N703-L706 HydrophobicContact CB-CD1 4.33Å; N703-L706 PolarHBondContact O-N 3.2Å; L706-N708 PolarHBondContact O-N 2.87Å; L706-E709 WeakPolarHBondContact O-CB 3.44Å; L706-E709 PolarHBondContact O-N 2.91Å; L706-V710 WeakPolarHBondContact O-CG2 3.48Å; L706-V710 PolarHBondContact O-N 3.17Å; L706-T734 HydrophobicContact CB-CG2 3.82Å; L706-T734 HydrophobicContact CD1-CG2 4.39Å; L706-T734 HydrophobicContact CD2-CG2 4.06Å; L706-T734 HydrophobicContact CG-CG2 4.31Å; L706-F735 HydrophobicContact CB-CE1 4.37Å; L706-F735 HydrophobicContact CB-CZ 4.08Å; L706-F735 HydrophobicContact CD1-CE1 3.98Å; L706-N755 WeakPolarHBondContact CD1-ND2 3.41Å
707	W	93.7	Very high	84.8	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.015	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-39.1	175.6	-77.5	121.6	0	0	0	112.7	I697 D700 N703 K705 E709 V710 L711 V731 F735 L791 V794 L798	I697-W707 HydrophobicContact CB-CD2 4.45Å; I697-W707 HydrophobicContact CD1-CE3 4.1Å; I697-W707 HydrophobicContact CD1-CH2 4.5Å; I697-W707 HydrophobicContact CD1-CZ3 3.96Å; I697-W707 HydrophobicContact CG1-CD2 4.2Å; I697-W707 HydrophobicContact CG1-CE3 4Å; I697-W707 HydrophobicContact CG1-CH2 4.16Å; I697-W707 HydrophobicContact CG1-CZ2 4.32Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; I697-W707 HydrophobicContact CG2-CB 3.83Å; I697-W707 HydrophobicContact CG2-CD2 3.66Å; I697-W707 HydrophobicContact CG2-CE3 3.87Å; I697-W707 HydrophobicContact CG2-CG 3.65Å; D700-W707 PolarHBondContact OD2-NE1 3.06Å; N703-W707 PolarHBondContact O-N 2.82Å; K705-W707 VanDerWaalsContact C-N 3.34Å; K705-W707 PolarHBondContact O-N 2.84Å; W707-E709 VanDerWaalsContact C-N 3.31Å; W707-E709 PolarHBondContact O-N 3.48Å; W707-V710 HydrophobicContact CE3-CB 4.41Å; W707-V710 HydrophobicContact CE3-CG1 4.43Å; W707-V710 HydrophobicContact CZ3-CG1 4.39Å; W707-V710 PolarHBondContact O-N 3.25Å; W707-L711 VanDerWaalsContact O-CB 3.29Å; W707-L711 WeakPolarHBondContact O-CB 3.37Å; W707-L711 WeakPolarHBondContact O-CG 3.43Å; W707-L711 PolarHBondContact O-N 3.26Å; W707-V731 HydrophobicContact CH2-CG1 4.05Å; W707-V731 HydrophobicContact CH2-CG2 4.5Å; W707-V731 HydrophobicContact CZ3-CG1 4.37Å; W707-V731 HydrophobicContact CZ3-CG2 4.05Å; W707-F735 AromaticContact CD2-CE2 3.99Å; W707-F735 HydrophobicContact CD2-CE2 3.99Å; W707-F735 AromaticContact CD2-CZ 3.94Å; W707-F735 HydrophobicContact CD2-CZ 3.94Å; W707-F735 AromaticContact CE2-CE2 3.7Å; W707-F735 AromaticContact CE2-CZ 3.52Å; W707-F735 HydrophobicContact CE3-CE2 4.11Å; W707-F735 HydrophobicContact CG-CZ 4.35Å; W707-F735 HydrophobicContact CH2-CD2 4.34Å; W707-F735 AromaticContact CH2-CE2 3.65Å; W707-F735 HydrophobicContact CH2-CE2 3.65Å; W707-F735 HydrophobicContact CH2-CZ 4.32Å; W707-F735 HydrophobicContact CZ2-CD2 4.38Å; W707-F735 AromaticContact CZ2-CE2 3.53Å; W707-F735 HydrophobicContact CZ2-CE2 3.53Å; W707-F735 AromaticContact CZ2-CZ 3.74Å; W707-F735 HydrophobicContact CZ2-CZ 3.74Å; W707-F735 AromaticContact CZ3-CE2 3.96Å; W707-F735 HydrophobicContact CZ3-CE2 3.96Å; W707-F735 AromaticContact NE1-CZ 3.69Å; W707-L791 HydrophobicContact CZ2-CD1 3.72Å; W707-V794 HydrophobicContact CH2-CB 4.48Å; W707-V794 HydrophobicContact CH2-CG1 3.46Å; W707-V794 VanDerWaalsContact CH2-CG1 3.46Å; W707-V794 HydrophobicContact CZ2-CB 4.17Å; W707-V794 HydrophobicContact CZ2-CG1 3.59Å; W707-V794 HydrophobicContact CZ3-CG1 4.4Å; W707-L798 HydrophobicContact CH2-CD1 4.15Å; W707-L798 HydrophobicContact CZ3-CD1 4.5Å
708	N	90	Very high	83.2	Confident	106 Å²	106	78.1 Å²	78.1	57%	0.567	38%	0.379	S	S	*	.	H	α-helix	trans	-62.6	-38.2	174.9	-73.6	-29.1	0	0	0	112.3	A704 K705 L706 A712	A704-N708 WeakPolarHBondContact O-CB 3.43Å; A704-N708 PolarHBondContact O-N 3.47Å; A704-N708 PolarHBondContact O-ND2 3.17Å; A704-N708 VanDerWaalsContact O-ND2 3.11Å; K705-N708 PolarHBondContact O-N 3.12Å; L706-N708 PolarHBondContact O-N 2.87Å; N708-A712 WeakPolarHBondContact O-CB 3.19Å; N708-A712 PolarHBondContact O-N 2.85Å
709	E	88	Confident	81.5	Confident	101 Å²	101	75.2 Å²	75.2	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.5	-69.5	170.7	-165.7	0	0	111.4	K705 L706 W707 L711 A712 S713	K705-E709 WeakPolarHBondContact O-CG 3.47Å; K705-E709 PolarHBondContact O-N 2.9Å; K705-E709 VanDerWaalsContact O-N 3.12Å; L706-E709 WeakPolarHBondContact O-CB 3.44Å; L706-E709 PolarHBondContact O-N 2.91Å; W707-E709 VanDerWaalsContact C-N 3.31Å; W707-E709 PolarHBondContact O-N 3.48Å; E709-L711 PolarHBondContact O-N 3.36Å; E709-A712 WeakPolarHBondContact O-CB 3.4Å; E709-A712 PolarHBondContact O-N 3.39Å; E709-S713 PolarHBondContact O-N 3.26Å
710	V	88.7	Confident	79.3	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-39.1	175.9	175.6	0	0	0	0	112	L706 W707 A712 S713 F727 K730 V731 T734	L706-V710 WeakPolarHBondContact O-CG2 3.48Å; L706-V710 PolarHBondContact O-N 3.17Å; W707-V710 HydrophobicContact CE3-CB 4.41Å; W707-V710 HydrophobicContact CE3-CG1 4.43Å; W707-V710 HydrophobicContact CZ3-CG1 4.39Å; W707-V710 PolarHBondContact O-N 3.25Å; V710-A712 VanDerWaalsContact C-N 3.33Å; V710-S713 PolarHBondContact O-N 2.98Å; V710-S713 PolarHBondContact O-OG 2.91Å; V710-F727 HydrophobicContact CG1-CD2 4.02Å; V710-F727 HydrophobicContact CG1-CE2 3.64Å; V710-F727 HydrophobicContact CG1-CZ 4.48Å; V710-K730 HydrophobicContact CG2-CG 4.33Å; V710-V731 HydrophobicContact CG1-CG2 3.6Å; V710-T734 HydrophobicContact CG2-CG2 3.88Å
711	L	87.2	Confident	77.5	Confident	54 Å²	54	75.9 Å²	75.9	28%	0.283	41%	0.411	S	S	.	.	H	α-helix	trans	-72.8	-27.7	177.4	-69.8	174	0	0	0	112.1	L689 I697 W707 E709 S713 L714	L689-L711 HydrophobicContact CD1-CD2 3.36Å; I697-L711 HydrophobicContact CG2-CD1 4.22Å; W707-L711 VanDerWaalsContact O-CB 3.29Å; W707-L711 WeakPolarHBondContact O-CB 3.37Å; W707-L711 WeakPolarHBondContact O-CG 3.43Å; W707-L711 PolarHBondContact O-N 3.26Å; E709-L711 PolarHBondContact O-N 3.36Å; L711-S713 VanDerWaalsContact C-N 3.34Å; L711-L714 HydrophobicContact CD2-CD1 3.68Å; L711-L714 WeakPolarHBondContact O-CB 3.49Å; L711-L714 PolarHBondContact O-N 3.33Å
712	A	83.6	Confident	76.3	Confident	51 Å²	51	67.7 Å²	67.7	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-38	174.2	0	0	0	0	0	111.3	N708 E709 V710 L714 K715	N708-A712 WeakPolarHBondContact O-CB 3.19Å; N708-A712 PolarHBondContact O-N 2.85Å; E709-A712 WeakPolarHBondContact O-CB 3.4Å; E709-A712 PolarHBondContact O-N 3.39Å; V710-A712 VanDerWaalsContact C-N 3.33Å; A712-L714 PolarHBondContact O-N 3.14Å; A712-K715 WeakPolarHBondContact O-CB 3.19Å; A712-K715 PolarHBondContact O-N 3.22Å; A712-K715 VanDerWaalsContact O-N 3.08Å
713	S	72.8	Confident	75.3	Confident	20 Å²	20	66.3 Å²	66.3	14%	0.14	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-68.9	-12.5	178	68.6	0	0	0	0	113.9	E709 V710 L711 K715 D716	E709-S713 PolarHBondContact O-N 3.26Å; V710-S713 PolarHBondContact O-N 2.98Å; V710-S713 PolarHBondContact O-OG 2.91Å; L711-S713 VanDerWaalsContact C-N 3.34Å; S713-K715 PolarHBondContact O-N 3.39Å; S713-D716 WeakPolarHBondContact O-CB 3.34Å; S713-D716 PolarHBondContact O-N 3.37Å
714	L	70	Confident	74.3	Confident	43 Å²	43	68 Å²	68	23%	0.225	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-66	-19.5	169.9	-73.7	172.4	0	0	0	113.2	Y687 L689 L711 A712 D716 F727	Y687-L714 HydrophobicContact CD1-CD2 3.74Å; Y687-L714 HydrophobicContact CE1-CD2 4.36Å; L689-L714 HydrophobicContact CD1-CD1 4.23Å; L689-L714 HydrophobicContact CG-CD1 4.44Å; L711-L714 HydrophobicContact CD2-CD1 3.68Å; L711-L714 WeakPolarHBondContact O-CB 3.49Å; L711-L714 PolarHBondContact O-N 3.33Å; A712-L714 PolarHBondContact O-N 3.14Å; L714-D716 VanDerWaalsContact C-N 3.3Å; L714-F727 HydrophobicContact CD1-CD2 3.98Å; L714-F727 HydrophobicContact CD1-CE2 4.09Å; L714-F727 HydrophobicContact CD2-CB 3.65Å; L714-F727 HydrophobicContact CD2-CD2 3.45Å; L714-F727 VanDerWaalsContact CD2-CD2 3.45Å; L714-F727 HydrophobicContact CD2-CE2 4.34Å; L714-F727 HydrophobicContact CD2-CG 3.74Å; L714-F727 HydrophobicContact CG-CD2 3.72Å; L714-F727 HydrophobicContact CG-CE2 4.29Å; L714-F727 HydrophobicContact CG-CG 4.5Å
715	K	66.4	Low	73.3	Confident	184 Å²	184	68.5 Å²	68.5	80%	0.8	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-80.3	-16.6	176.5	-61.4	178	-177.7	174.1	0	112.1	A712 S713	A712-K715 WeakPolarHBondContact O-CB 3.19Å; A712-K715 PolarHBondContact O-N 3.22Å; A712-K715 VanDerWaalsContact O-N 3.08Å; S713-K715 PolarHBondContact O-N 3.39Å
716	D	63.4	Low	72.6	Confident	106 Å²	106	65.2 Å²	65.2	57%	0.567	36%	0.357	S	S	*	.	S	Bend	trans	-77.2	127.8	178.2	-63.1	-30.6	0	0	0	109.9	S713 L714 P718	S713-D716 WeakPolarHBondContact O-CB 3.34Å; S713-D716 PolarHBondContact O-N 3.37Å; L714-D716 VanDerWaalsContact C-N 3.3Å; D716-P718 WeakPolarHBondContact O-CD 3.29Å
717	R	58.5	Low	72.1	Confident	204 Å²	204	63.3 Å²	63.3	77%	0.77	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-84.5	118.6	176.1	-172.2	-179.3	-115.2	178.3	-0.6	108.6
718	P	57.7	Low	71.7	Confident	33 Å²	33	63.4 Å²	63.4	21%	0.214	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.8	140.9	178.9	19.8	-28.3	0	0	0	111.6	D716 S720 P723 L726	D716-P718 WeakPolarHBondContact O-CD 3.29Å; P718-S720 VanDerWaalsContact C-N 3.29Å; P718-P723 HydrophobicContact CG-CG 4.1Å; P718-L726 HydrophobicContact CB-CD2 4.16Å; P718-L726 HydrophobicContact CG-CD2 4.5Å
719	A	53	Low	71.3	Confident	115 Å²	115	60.8 Å²	60.8	95%	0.95	34%	0.337	S	S	*	.	S	Bend	trans	-69.6	-28.7	170.7	0	0	0	0	0	111.9
720	S	47.4	Very low	71.2	Confident	95 Å²	95	59.5 Å²	59.5	66%	0.664	33%	0.33	S	S	*	.	S	Bend	trans	-153.4	148.6	175.1	58.3	0	0	0	0	110.6	P718	P718-S720 VanDerWaalsContact C-N 3.29Å
721	G	55.6	Low	71.2	Confident	19 Å²	19	59.5 Å²	59.5	20%	0.196	33%	0.33	C	S	.	.	S	Bend	trans	91.8	173.9	-179.7	0	0	0	0	0	115.3
722	S	65.3	Low	71.2	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.021	33%	0.329	C	S	.	.			trans	-82	142.3	179.7	71.8	0	0	0	0	111.5	L614 F724 Q725 L726	L614-S722 WeakPolarHBondContact O-CB 3.23Å; S722-F724 PolarHBondContact O-N 3.05Å; S722-F724 VanDerWaalsContact O-N 3.14Å; S722-Q725 PolarHBondContact O-N 3.27Å; S722-Q725 WeakPolarHBondContact OG-CB 3.44Å; S722-Q725 PolarHBondContact OG-N 2.76Å; S722-L726 PolarHBondContact O-N 2.82Å; S722-L726 VanDerWaalsContact O-N 3.12Å
723	P	69.3	Low	71.3	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.175	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-28.2	172.8	-25.1	33.9	0	0	0	113.1	V684 P718 F727	V684-P723 HydrophobicContact CG1-CG 4.21Å; P718-P723 HydrophobicContact CG-CG 4.1Å; P723-F727 WeakPolarHBondContact O-CB 3.06Å; P723-F727 PolarHBondContact O-N 2.84Å; P723-F727 VanDerWaalsContact O-N 3.08Å
724	F	73.4	Confident	72.2	Confident	38 Å²	38	63 Å²	63	17%	0.167	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-44.5	173.4	-179.9	-123	0	0	0	112.8	Y687 S722 L726 F727 L728	Y687-F724 HydrophobicContact CD1-CD2 4.26Å; Y687-F724 HydrophobicContact CD2-CB 3.82Å; Y687-F724 AromaticContact CD2-CD2 3.81Å; Y687-F724 HydrophobicContact CD2-CD2 3.81Å; Y687-F724 HydrophobicContact CD2-CG 4.16Å; Y687-F724 AromaticContact CE1-CD2 3.75Å; Y687-F724 HydrophobicContact CE1-CD2 3.75Å; Y687-F724 HydrophobicContact CE1-CE2 4.37Å; Y687-F724 HydrophobicContact CE2-CB 4.13Å; Y687-F724 AromaticContact CE2-CD2 3.22Å; Y687-F724 HydrophobicContact CE2-CD2 3.22Å; Y687-F724 AromaticContact CE2-CE2 3.82Å; Y687-F724 HydrophobicContact CE2-CE2 3.82Å; Y687-F724 AromaticContact CE2-CG 3.94Å; Y687-F724 HydrophobicContact CE2-CG 3.94Å; Y687-F724 HydrophobicContact CG-CB 4.1Å; Y687-F724 HydrophobicContact CG-CD2 4.3Å; Y687-F724 AromaticContact CZ-CD2 3.2Å; Y687-F724 AromaticContact CZ-CE2 3.59Å; Y687-F724 WeakPolarHBondContact OH-CD2 3.16Å; Y687-F724 VanDerWaalsContact OH-CE2 3.24Å; Y687-F724 WeakPolarHBondContact OH-CE2 3.49Å; S722-F724 PolarHBondContact O-N 3.05Å; S722-F724 VanDerWaalsContact O-N 3.14Å; F724-L726 VanDerWaalsContact C-N 3.32Å; F724-L726 PolarHBondContact O-N 3.24Å; F724-F727 WeakPolarHBondContact O-CB 3.42Å; F724-F727 PolarHBondContact O-N 3.35Å; F724-L728 HydrophobicContact CD1-CD1 4.3Å; F724-L728 HydrophobicContact CD2-CG 4.36Å; F724-L728 HydrophobicContact CE1-CD1 3.7Å; F724-L728 HydrophobicContact CE1-CG 4.43Å; F724-L728 HydrophobicContact CE2-CD1 4.07Å; F724-L728 HydrophobicContact CE2-CD2 4.12Å; F724-L728 HydrophobicContact CE2-CG 3.99Å; F724-L728 HydrophobicContact CZ-CD1 3.59Å; F724-L728 HydrophobicContact CZ-CD2 4.28Å; F724-L728 HydrophobicContact CZ-CG 4.05Å; F724-L728 WeakPolarHBondContact O-CG 3.49Å; F724-L728 PolarHBondContact O-N 3.41Å
725	Q	71	Confident	73.4	Confident	55 Å²	55	61 Å²	61	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-40.1	178.3	-151.5	85.2	27.7	0	0	111.1	G436 S722 F727 L728 S729	G436-Q725 PolarHBondContact O-NE2 2.99Å; S722-Q725 PolarHBondContact O-N 3.27Å; S722-Q725 WeakPolarHBondContact OG-CB 3.44Å; S722-Q725 PolarHBondContact OG-N 2.76Å; Q725-F727 VanDerWaalsContact C-N 3.34Å; Q725-L728 PolarHBondContact O-N 2.83Å; Q725-S729 WeakPolarHBondContact O-CB 3.34Å; Q725-S729 PolarHBondContact O-N 2.86Å
726	L	76.6	Confident	74.6	Confident	70 Å²	70	57.2 Å²	57.2	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-44.4	176.3	-177.9	66.6	0	0	0	110.9	P718 S722 F724 S729 K730	P718-L726 HydrophobicContact CB-CD2 4.16Å; P718-L726 HydrophobicContact CG-CD2 4.5Å; S722-L726 PolarHBondContact O-N 2.82Å; S722-L726 VanDerWaalsContact O-N 3.12Å; F724-L726 VanDerWaalsContact C-N 3.32Å; F724-L726 PolarHBondContact O-N 3.24Å; L726-S729 PolarHBondContact O-N 3.08Å; L726-K730 PolarHBondContact O-N 3.11Å
727	F	83.5	Confident	75.9	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-50.5	174.8	172.3	-104.8	0	0	0	111.9	Y687 L689 V710 L714 P723 F724 Q725 S729 K730 V731 L798	Y687-F727 HydrophobicContact CD1-CB 4.35Å; Y687-F727 HydrophobicContact CD1-CG 4.45Å; Y687-F727 HydrophobicContact CE1-CB 4.38Å; Y687-F727 AromaticContact CE1-CD1 3.78Å; Y687-F727 HydrophobicContact CE1-CD1 3.78Å; Y687-F727 HydrophobicContact CE1-CE1 4.3Å; Y687-F727 HydrophobicContact CE1-CG 4.07Å; L689-F727 HydrophobicContact CD1-CZ 4.41Å; L689-F727 HydrophobicContact CD2-CD1 4.5Å; L689-F727 HydrophobicContact CD2-CE1 3.72Å; L689-F727 HydrophobicContact CD2-CE2 4.35Å; L689-F727 HydrophobicContact CD2-CZ 3.64Å; V710-F727 HydrophobicContact CG1-CD2 4.02Å; V710-F727 HydrophobicContact CG1-CE2 3.64Å; V710-F727 HydrophobicContact CG1-CZ 4.48Å; L714-F727 HydrophobicContact CD1-CD2 3.98Å; L714-F727 HydrophobicContact CD1-CE2 4.09Å; L714-F727 HydrophobicContact CD2-CB 3.65Å; L714-F727 HydrophobicContact CD2-CD2 3.45Å; L714-F727 VanDerWaalsContact CD2-CD2 3.45Å; L714-F727 HydrophobicContact CD2-CE2 4.34Å; L714-F727 HydrophobicContact CD2-CG 3.74Å; L714-F727 HydrophobicContact CG-CD2 3.72Å; L714-F727 HydrophobicContact CG-CE2 4.29Å; L714-F727 HydrophobicContact CG-CG 4.5Å; P723-F727 WeakPolarHBondContact O-CB 3.06Å; P723-F727 PolarHBondContact O-N 2.84Å; P723-F727 VanDerWaalsContact O-N 3.08Å; F724-F727 WeakPolarHBondContact O-CB 3.42Å; F724-F727 PolarHBondContact O-N 3.35Å; Q725-F727 VanDerWaalsContact C-N 3.34Å; F727-S729 VanDerWaalsContact C-N 3.35Å; F727-S729 PolarHBondContact O-N 2.81Å; F727-K730 PolarHBondContact O-N 3.44Å; F727-K730 VanDerWaalsContact O-N 3.15Å; F727-V731 HydrophobicContact CD1-CG2 4.35Å; F727-V731 HydrophobicContact CD2-CG2 4.33Å; F727-V731 HydrophobicContact CE1-CG2 3.91Å; F727-V731 HydrophobicContact CE2-CG2 3.92Å; F727-V731 HydrophobicContact CZ-CG2 3.67Å; F727-V731 WeakPolarHBondContact O-CG2 3.48Å; F727-V731 PolarHBondContact O-N 3.49Å; F727-L798 HydrophobicContact CE1-CD1 3.93Å; F727-L798 HydrophobicContact CE1-CD2 3.81Å; F727-L798 HydrophobicContact CZ-CD1 4.16Å
728	L	84.2	Confident	77.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-43	178.4	-68.7	-176.1	0	0	0	112	F724 Q725 K730 V731 E732 L798 F799	F724-L728 HydrophobicContact CD1-CD1 4.3Å; F724-L728 HydrophobicContact CD2-CG 4.36Å; F724-L728 HydrophobicContact CE1-CD1 3.7Å; F724-L728 HydrophobicContact CE1-CG 4.43Å; F724-L728 HydrophobicContact CE2-CD1 4.07Å; F724-L728 HydrophobicContact CE2-CD2 4.12Å; F724-L728 HydrophobicContact CE2-CG 3.99Å; F724-L728 HydrophobicContact CZ-CD1 3.59Å; F724-L728 HydrophobicContact CZ-CD2 4.28Å; F724-L728 HydrophobicContact CZ-CG 4.05Å; F724-L728 WeakPolarHBondContact O-CG 3.49Å; F724-L728 PolarHBondContact O-N 3.41Å; Q725-L728 PolarHBondContact O-N 2.83Å; L728-K730 VanDerWaalsContact C-N 3.26Å; L728-K730 PolarHBondContact O-N 3.33Å; L728-V731 PolarHBondContact O-N 2.69Å; L728-E732 WeakPolarHBondContact O-CB 3.38Å; L728-E732 PolarHBondContact O-N 3.42Å; L728-L798 HydrophobicContact CD2-CB 3.96Å; L728-L798 HydrophobicContact CD2-CD2 4.3Å; L728-F799 HydrophobicContact CB-CE1 4.09Å; L728-F799 HydrophobicContact CB-CZ 4.1Å; L728-F799 HydrophobicContact CD2-CE1 4.25Å; L728-F799 HydrophobicContact CD2-CE2 4.33Å; L728-F799 HydrophobicContact CD2-CZ 3.99Å; L728-F799 WeakPolarHBondContact O-CZ 3.32Å
729	S	80.9	Confident	78.6	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-40.5	175.4	-167.4	0	0	0	0	111.6	Q725 L726 F727 E732 E733	Q725-S729 WeakPolarHBondContact O-CB 3.34Å; Q725-S729 PolarHBondContact O-N 2.86Å; L726-S729 PolarHBondContact O-N 3.08Å; F727-S729 VanDerWaalsContact C-N 3.35Å; F727-S729 PolarHBondContact O-N 2.81Å; S729-E732 PolarHBondContact O-N 3.38Å; S729-E733 WeakPolarHBondContact O-CG 3.32Å; S729-E733 PolarHBondContact O-N 3.37Å
730	K	86.2	Confident	80.1	Confident	75 Å²	75	44.8 Å²	44.8	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-40.4	178.3	-163.2	72.7	-156	155.1	0	112.4	V710 L726 F727 L728 E732 E733 T734	V710-K730 HydrophobicContact CG2-CG 4.33Å; L726-K730 PolarHBondContact O-N 3.11Å; F727-K730 PolarHBondContact O-N 3.44Å; F727-K730 VanDerWaalsContact O-N 3.15Å; L728-K730 VanDerWaalsContact C-N 3.26Å; L728-K730 PolarHBondContact O-N 3.33Å; K730-E732 VanDerWaalsContact C-N 3.3Å; K730-E732 PolarHBondContact O-N 2.76Å; K730-E733 IonicContact NZ-OE2 2.98Å; K730-E733 PolarHBondContact NZ-OE2 2.75Å; K730-E733 PolarHBondContact O-N 3.44Å; K730-T734 VanDerWaalsContact O-CB 3.32Å; K730-T734 WeakPolarHBondContact O-CB 3.47Å; K730-T734 PolarHBondContact O-N 2.89Å; K730-T734 PolarHBondContact O-OG1 2.74Å; K730-T734 VanDerWaalsContact O-OG1 3.07Å
731	V	89.8	Confident	81.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-44.8	172.6	178.3	0	0	0	0	110.1	W707 V710 F727 L728 T734 F735 L795 L798 F799	W707-V731 HydrophobicContact CH2-CG1 4.05Å; W707-V731 HydrophobicContact CH2-CG2 4.5Å; W707-V731 HydrophobicContact CZ3-CG1 4.37Å; W707-V731 HydrophobicContact CZ3-CG2 4.05Å; V710-V731 HydrophobicContact CG1-CG2 3.6Å; F727-V731 HydrophobicContact CD1-CG2 4.35Å; F727-V731 HydrophobicContact CD2-CG2 4.33Å; F727-V731 HydrophobicContact CE1-CG2 3.91Å; F727-V731 HydrophobicContact CE2-CG2 3.92Å; F727-V731 HydrophobicContact CZ-CG2 3.67Å; F727-V731 WeakPolarHBondContact O-CG2 3.48Å; F727-V731 PolarHBondContact O-N 3.49Å; L728-V731 PolarHBondContact O-N 2.69Å; V731-T734 PolarHBondContact O-N 3.32Å; V731-F735 HydrophobicContact CG1-CD2 3.92Å; V731-F735 HydrophobicContact CG1-CE2 4.47Å; V731-F735 WeakPolarHBondContact O-CD2 3.48Å; V731-F735 PolarHBondContact O-N 3.1Å; V731-L795 HydrophobicContact CG1-CD2 3.75Å; V731-L798 HydrophobicContact CG1-CD1 4.06Å; V731-L798 HydrophobicContact CG2-CD1 4.1Å; V731-F799 HydrophobicContact CB-CE2 4.22Å; V731-F799 HydrophobicContact CB-CZ 4.27Å; V731-F799 HydrophobicContact CG1-CE2 3.74Å; V731-F799 HydrophobicContact CG1-CZ 4.27Å
732	E	85.8	Confident	83.1	Confident	54 Å²	54	48.3 Å²	48.3	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-47.7	179.8	-173.2	176.8	-172.8	0	0	112.2	I425 L728 S729 K730 F735 Q736 F799	I425-E732 WeakPolarHBondContact CG1-OE1 3.23Å; L728-E732 WeakPolarHBondContact O-CB 3.38Å; L728-E732 PolarHBondContact O-N 3.42Å; S729-E732 PolarHBondContact O-N 3.38Å; K730-E732 VanDerWaalsContact C-N 3.3Å; K730-E732 PolarHBondContact O-N 2.76Å; E732-F735 CarbonylContact O-C 3.48Å; E732-Q736 PolarHBondContact O-N 3.31Å; E732-Q736 VanDerWaalsContact O-N 3.15Å; E732-F799 HydrophobicContact CB-CZ 4.24Å
733	E	86.5	Confident	84.3	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-48	175.1	-74.5	170.9	-166.3	0	0	112.5	S729 K730 F735 Q736	S729-E733 WeakPolarHBondContact O-CG 3.32Å; S729-E733 PolarHBondContact O-N 3.37Å; K730-E733 IonicContact NZ-OE2 2.98Å; K730-E733 PolarHBondContact NZ-OE2 2.75Å; K730-E733 PolarHBondContact O-N 3.44Å; E733-F735 VanDerWaalsContact C-N 3.34Å; E733-F735 PolarHBondContact O-N 3.37Å; E733-Q736 PolarHBondContact O-N 3.33Å
734	T	92	Very high	85.3	Confident	34 Å²	34	47.1 Å²	47.1	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-34.7	-174.8	-67.9	0	0	0	0	112.2	L706 V710 K730 V731	L706-T734 HydrophobicContact CB-CG2 3.82Å; L706-T734 HydrophobicContact CD1-CG2 4.39Å; L706-T734 HydrophobicContact CD2-CG2 4.06Å; L706-T734 HydrophobicContact CG-CG2 4.31Å; V710-T734 HydrophobicContact CG2-CG2 3.88Å; K730-T734 VanDerWaalsContact O-CB 3.32Å; K730-T734 WeakPolarHBondContact O-CB 3.47Å; K730-T734 PolarHBondContact O-N 2.89Å; K730-T734 PolarHBondContact O-OG1 2.74Å; K730-T734 VanDerWaalsContact O-OG1 3.07Å; V731-T734 PolarHBondContact O-N 3.32Å
735	F	94.1	Very high	86.2	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	29.5	-179.2	-63.6	-74.2	0	0	0	112.6	N703 L706 W707 V731 E732 E733 L743 V744 N755 L791	N703-F735 HydrophobicContact CB-CE1 3.96Å; N703-F735 HydrophobicContact CB-CZ 4.18Å; L706-F735 HydrophobicContact CB-CE1 4.37Å; L706-F735 HydrophobicContact CB-CZ 4.08Å; L706-F735 HydrophobicContact CD1-CE1 3.98Å; W707-F735 AromaticContact CD2-CE2 3.99Å; W707-F735 HydrophobicContact CD2-CE2 3.99Å; W707-F735 AromaticContact CD2-CZ 3.94Å; W707-F735 HydrophobicContact CD2-CZ 3.94Å; W707-F735 AromaticContact CE2-CE2 3.7Å; W707-F735 AromaticContact CE2-CZ 3.52Å; W707-F735 HydrophobicContact CE3-CE2 4.11Å; W707-F735 HydrophobicContact CG-CZ 4.35Å; W707-F735 HydrophobicContact CH2-CD2 4.34Å; W707-F735 AromaticContact CH2-CE2 3.65Å; W707-F735 HydrophobicContact CH2-CE2 3.65Å; W707-F735 HydrophobicContact CH2-CZ 4.32Å; W707-F735 HydrophobicContact CZ2-CD2 4.38Å; W707-F735 AromaticContact CZ2-CE2 3.53Å; W707-F735 HydrophobicContact CZ2-CE2 3.53Å; W707-F735 AromaticContact CZ2-CZ 3.74Å; W707-F735 HydrophobicContact CZ2-CZ 3.74Å; W707-F735 AromaticContact CZ3-CE2 3.96Å; W707-F735 HydrophobicContact CZ3-CE2 3.96Å; W707-F735 AromaticContact NE1-CZ 3.69Å; V731-F735 HydrophobicContact CG1-CD2 3.92Å; V731-F735 HydrophobicContact CG1-CE2 4.47Å; V731-F735 WeakPolarHBondContact O-CD2 3.48Å; V731-F735 PolarHBondContact O-N 3.1Å; E732-F735 CarbonylContact O-C 3.48Å; E733-F735 VanDerWaalsContact C-N 3.34Å; E733-F735 PolarHBondContact O-N 3.37Å; F735-L743 HydrophobicContact CB-CD1 3.94Å; F735-V744 HydrophobicContact CB-CG2 4.03Å; F735-V744 VanDerWaalsContact O-CG1 3.3Å; F735-V744 WeakPolarHBondContact O-CG1 3.23Å; F735-V744 WeakPolarHBondContact O-CG2 3.02Å; F735-V744 PolarHBondContact O-N 3.07Å; F735-N755 HydrophobicContact CD1-CB 4.46Å; F735-L791 HydrophobicContact CD1-CD1 3.85Å; F735-L791 HydrophobicContact CD1-CD2 3.85Å; F735-L791 HydrophobicContact CD2-CD1 4.47Å; F735-L791 HydrophobicContact CE1-CD1 3.71Å; F735-L791 HydrophobicContact CE1-CD2 4Å; F735-L791 HydrophobicContact CE2-CD1 4.35Å; F735-L791 HydrophobicContact CG-CD1 4.23Å; F735-L791 HydrophobicContact CZ-CD1 3.97Å
736	Q	92.1	Very high	87.2	Confident	105 Å²	105	48.3 Å²	48.3	49%	0.491	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-75.1	129.3	171.6	-169.8	178	49	0	0	110.6	E732 E733 I738 Q741	E732-Q736 PolarHBondContact O-N 3.31Å; E732-Q736 VanDerWaalsContact O-N 3.15Å; E733-Q736 PolarHBondContact O-N 3.33Å; Q736-I738 PolarHBondContact O-N 3.45Å; Q736-Q741 PolarHBondContact NE2-O 3.34Å
737	C	90.4	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.			trans	-72.9	124	174.9	-179.7	0	0	0	0	109.9	C739 Q741 E742 V744 C757	C737-C739 PolarHBondContact O-N 3.29Å; C737-C739 VanDerWaalsContact O-N 3.16Å; C737-Q741 WeakPolarHBondContact O-CA 3.36Å; C737-Q741 PolarHBondContact O-N 2.95Å; C737-E742 WeakPolarHBondContact CB-O 3.47Å; C737-E742 PolarHBondContact N-O 2.9Å; C737-V744 HydrophobicContact CB-CG1 3.66Å; C737-C757 VanDerWaalsContact CB-SG 3.57Å; C737-C757 PolarHBondContact SG-N 3.2Å; C737-C757 VanDerWaalsContact SG-N 3.43Å; C737-C757 VanDerWaalsContact SG-SG 3.66Å
738	I	89.8	Confident	88.8	Confident	98 Å²	98	44.9 Å²	44.9	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.1	-179.8	-167.2	60.9	0	0	0	113.8	Q736 P773 A774	Q736-I738 PolarHBondContact O-N 3.45Å; I738-P773 HydrophobicContact CG2-CB 3.78Å; I738-A774 HydrophobicContact CG2-CB 4.1Å
739	C	84.7	Confident	89.3	Confident	59 Å²	59	45.7 Å²	45.7	40%	0.399	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-54.7	-177.2	-57.5	0	0	0	0	113.2	C737 C760 P773	C737-C739 PolarHBondContact O-N 3.29Å; C737-C739 VanDerWaalsContact O-N 3.16Å; C739-C760 HydrophobicContact CB-CB 3.61Å; C739-P773 WeakPolarHBondContact SG-CB 3.39Å
740	C	83.3	Confident	89.9	Confident	40 Å²	40	43.5 Å²	43.5	27%	0.27	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.3	-179.8	64.2	0	0	0	0	113.5	E742	C740-E742 HydrophobicContact CB-CG 4.43Å; C740-E742 WeakPolarHBondContact O-CG 3.48Å; C740-E742 PolarHBondContact O-N 3.08Å
741	Q	82.6	Confident	90.2	Very high	133 Å²	133	44.4 Å²	44.4	62%	0.621	23%	0.226	S	C	*	.	S	Bend	trans	60.9	27	-175.7	-54.4	-176.5	4.9	0	0	114.1	Q736 C737	Q736-Q741 PolarHBondContact NE2-O 3.34Å; C737-Q741 WeakPolarHBondContact O-CA 3.36Å; C737-Q741 PolarHBondContact O-N 2.95Å
742	E	84.1	Confident	90.3	Very high	56 Å²	56	45.9 Å²	45.9	26%	0.262	24%	0.236	S	C	.	.	S	Bend	trans	-119.9	164.5	178.8	-56.8	174.1	127.5	0	0	110.9	C737 C740 V744 R806	C737-E742 WeakPolarHBondContact CB-O 3.47Å; C737-E742 PolarHBondContact N-O 2.9Å; C740-E742 HydrophobicContact CB-CG 4.43Å; C740-E742 WeakPolarHBondContact O-CG 3.48Å; C740-E742 PolarHBondContact O-N 3.08Å; E742-V744 PolarHBondContact O-N 2.93Å; E742-R806 VanDerWaalsContact CG-NH2 3.34Å; E742-R806 IonicContact OE1-CZ 3.58Å; E742-R806 IonicContact OE1-NE 3.54Å; E742-R806 IonicContact OE1-NH2 3.28Å; E742-R806 PolarHBondContact OE1-NH2 3.35Å; E742-R806 IonicContact OE2-CZ 2.81Å; E742-R806 IonicContact OE2-NE 2.68Å; E742-R806 PolarHBondContact OE2-NE 3.12Å; E742-R806 IonicContact OE2-NH1 3.85Å; E742-R806 IonicContact OE2-NH2 3.69Å; E742-R806 PolarHBondContact OE2-NH2 3.45Å
743	L	89.5	Confident	90.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-52.9	128.7	171.5	-175.8	60.2	0	0	0	110.3	F735 F745 L795 F799 Y802 R806	F735-L743 HydrophobicContact CB-CD1 3.94Å; L743-F745 PolarHBondContact O-N 3.21Å; L743-L795 HydrophobicContact CD1-CD1 4.18Å; L743-L795 HydrophobicContact CD1-CD2 4.01Å; L743-L795 HydrophobicContact CD2-CD2 4.42Å; L743-L795 HydrophobicContact CG-CD1 4.37Å; L743-F799 HydrophobicContact CD2-CB 4.26Å; L743-F799 HydrophobicContact CD2-CD1 4.28Å; L743-F799 HydrophobicContact CD2-CD2 3.47Å; L743-F799 VanDerWaalsContact CD2-CD2 3.47Å; L743-F799 HydrophobicContact CD2-CE2 3.76Å; L743-F799 HydrophobicContact CD2-CG 3.76Å; L743-F799 HydrophobicContact CD2-CZ 4.27Å; L743-Y802 HydrophobicContact CB-CD2 4.42Å; L743-Y802 HydrophobicContact CB-CE2 4.44Å; L743-Y802 HydrophobicContact CD2-CD2 3.81Å; L743-Y802 HydrophobicContact CD2-CE2 3.88Å; L743-Y802 HydrophobicContact CD2-CG 4.21Å; L743-Y802 HydrophobicContact CG-CD2 4.2Å; L743-Y802 HydrophobicContact CG-CE2 3.94Å; L743-R806 PolarHBondContact O-NH1 3.47Å
744	V	91.6	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.			trans	-56.5	129.3	-174.4	-71.3	0	0	0	0	112.5	F735 C737 E742 P747 N755 L791 L795 Y802	F735-V744 HydrophobicContact CB-CG2 4.03Å; F735-V744 VanDerWaalsContact O-CG1 3.3Å; F735-V744 WeakPolarHBondContact O-CG1 3.23Å; F735-V744 WeakPolarHBondContact O-CG2 3.02Å; F735-V744 PolarHBondContact O-N 3.07Å; C737-V744 HydrophobicContact CB-CG1 3.66Å; E742-V744 PolarHBondContact O-N 2.93Å; V744-P747 HydrophobicContact CB-CB 4.01Å; V744-P747 HydrophobicContact CG2-CB 3.77Å; V744-P747 HydrophobicContact CG2-CG 4.43Å; V744-N755 HydrophobicContact CG1-CB 4.13Å; V744-L791 HydrophobicContact CG2-CD2 4.27Å; V744-L795 HydrophobicContact CG2-CD1 3.6Å; V744-Y802 WeakPolarHBondContact O-CE2 3.45Å; V744-Y802 PolarHBondContact O-OH 3.32Å
745	F	92	Very high	91.2	Very high	33 Å²	33	46.2 Å²	46.2	15%	0.145	24%	0.235	C	C	.	.	S	Bend	trans	-116	134.6	174.8	-179.7	-114.2	0	0	0	110	L743 C757 Y802 R806	L743-F745 PolarHBondContact O-N 3.21Å; F745-C757 PolarHBondContact N-SG 3.06Å; F745-C757 VanDerWaalsContact O-CA 3.31Å; F745-C757 WeakPolarHBondContact O-CA 3.3Å; F745-C757 WeakPolarHBondContact O-CB 3.42Å; F745-Y802 HydrophobicContact CB-CE2 4.47Å; F745-Y802 HydrophobicContact CD2-CE2 4.42Å; F745-R806 HydrophobicContact CD1-CB 3.78Å; F745-R806 HydrophobicContact CE1-CB 3.95Å; F745-R806 VanDerWaalsContact CE1-O 3.24Å; F745-R806 WeakPolarHBondContact CE1-O 3.39Å; F745-R806 HydrophobicContact CG-CB 4.16Å; F745-R806 HydrophobicContact CZ-CB 4.49Å
746	R	92.6	Very high	91.3	Very high	85 Å²	85	46.2 Å²	46.2	32%	0.321	24%	0.235	S	C	.	.	S	Bend	trans	44.2	61.3	-165.6	-64.1	-172.4	-67.8	148.9	-5.5	110.4	I748 K758 D759 V787 Q792	R746-I748 PolarHBondContact O-N 2.87Å; R746-K758 HydrophobicContact CB-CB 4.04Å; R746-K758 VanDerWaalsContact O-CB 3.29Å; R746-K758 WeakPolarHBondContact O-CB 3.29Å; R746-K758 PolarHBondContact O-N 2.98Å; R746-D759 IonicContact CZ-OD1 3.87Å; R746-D759 IonicContact CZ-OD2 2.73Å; R746-D759 IonicContact NE-OD2 3.22Å; R746-D759 IonicContact NH1-OD1 3.89Å; R746-D759 IonicContact NH2-OD1 3.74Å; R746-D759 PolarHBondContact NH2-OD1 3.34Å; R746-D759 IonicContact NH2-OD2 3.97Å; R746-D759 PolarHBondContact NH2-OD2 3.11Å; R746-V787 HydrophobicContact CB-CG1 4.33Å; R746-V787 HydrophobicContact CB-CG2 4.21Å; R746-Q792 VanDerWaalsContact CA-OE1 3.22Å
747	P	95.4	Very high	91.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.7	-168.7	25.7	-33.8	0	0	0	111.4	V744 V787 N788 L791 Q792	V744-P747 HydrophobicContact CB-CB 4.01Å; V744-P747 HydrophobicContact CG2-CB 3.77Å; V744-P747 HydrophobicContact CG2-CG 4.43Å; P747-V787 WeakPolarHBondContact O-CA 3.49Å; P747-N788 HydrophobicContact CG-CB 4.41Å; P747-N788 PolarHBondContact O-N 2.93Å; P747-L791 HydrophobicContact CB-CD2 3.7Å; P747-L791 HydrophobicContact CB-CG 4.34Å; P747-L791 HydrophobicContact CG-CB 4.05Å; P747-L791 HydrophobicContact CG-CD2 3.8Å; P747-L791 HydrophobicContact CG-CG 3.87Å; P747-Q792 HydrophobicContact CG-CB 4.28Å
748	I	96.4	Very high	91.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.1	162.7	-52.6	-59.1	0	0	0	106.8	R746 N755 V756 K758 L761 Y783 M785 Q786 V787	R746-I748 PolarHBondContact O-N 2.87Å; I748-N755 WeakPolarHBondContact O-CA 3.47Å; I748-V756 PolarHBondContact N-O 2.74Å; I748-V756 PolarHBondContact O-N 3.42Å; I748-K758 HydrophobicContact CD1-CB 4.01Å; I748-K758 HydrophobicContact CD1-CG 4.11Å; I748-K758 HydrophobicContact CG1-CB 3.94Å; I748-K758 HydrophobicContact CG1-CG 4.3Å; I748-L761 HydrophobicContact CB-CD2 4.12Å; I748-L761 HydrophobicContact CG1-CD2 4.3Å; I748-L761 HydrophobicContact CG2-CD2 3.84Å; I748-Y783 HydrophobicContact CG2-CE1 4.26Å; I748-M785 HydrophobicContact CD1-CB 4.01Å; I748-M785 HydrophobicContact CG1-CB 4.35Å; I748-Q786 VanDerWaalsContact CD1-C 3.44Å; I748-Q786 VanDerWaalsContact CD1-O 3.24Å; I748-Q786 WeakPolarHBondContact CD1-O 3.4Å; I748-V787 HydrophobicContact CD1-CG2 4.11Å
749	T	95.9	Very high	91.7	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.2	168.2	-51.8	0	0	0	0	107.9	N703 H754 N755 N788	N703-T749 PolarHBondContact ND2-OG1 2.74Å; N703-T749 WeakPolarHBondContact OD1-CG2 3.29Å; T749-H754 WeakPolarHBondContact CA-O 3.45Å; T749-N755 WeakPolarHBondContact CB-OD1 3.47Å; T749-N755 PolarHBondContact OG1-OD1 3.41Å; T749-N788 PolarHBondContact OG1-ND2 2.85Å
750	T	93.7	Very high	92.1	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.031	20%	0.197	C	C	.	.			trans	-69.7	163.9	-176.4	59.3	0	0	0	0	111.7	C752 Q753 H754 L779 Y783	T750-C752 PolarHBondContact O-N 3.17Å; T750-C752 PolarHBondContact OG1-SG 2.77Å; T750-Q753 WeakPolarHBondContact O-CA 3.28Å; T750-Q753 PolarHBondContact O-N 3.26Å; T750-H754 PolarHBondContact N-O 3.23Å; T750-H754 PolarHBondContact OG1-N 3.48Å; T750-H754 VanDerWaalsContact OG1-N 3.09Å; T750-H754 PolarHBondContact OG1-O 3.46Å; T750-H754 VanDerWaalsContact OG1-O 3.11Å; T750-L779 HydrophobicContact CG2-CD1 4.2Å; T750-L779 HydrophobicContact CG2-CD2 4.38Å; T750-Y783 WeakPolarHBondContact CA-OH 3.24Å
751	V	91.7	Very high	92.6	Very high	94 Å²	94	37.3 Å²	37.3	57%	0.57	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.9	175.2	-70	0	0	0	0	113.1	Q753 Y777 L779 Y783	V751-Q753 PolarHBondContact O-N 3.38Å; V751-Y777 HydrophobicContact CG2-CD1 4.06Å; V751-Y777 HydrophobicContact CG2-CE1 3.59Å; V751-L779 HydrophobicContact CG2-CD2 3.83Å; V751-Y783 HydrophobicContact CG1-CE2 3.91Å; V751-Y783 HydrophobicContact CG2-CE2 4.31Å; V751-Y783 PolarHBondContact N-OH 3.25Å
752	C	93.1	Very high	93	Very high	30 Å²	30	32.6 Å²	32.6	20%	0.203	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	17.6	171.7	62	0	0	0	0	113.3	T750 H754 C772 C775 Y777	T750-C752 PolarHBondContact O-N 3.17Å; T750-C752 PolarHBondContact OG1-SG 2.77Å; C752-H754 VanDerWaalsContact C-N 3.33Å; C752-H754 PolarHBondContact O-N 2.99Å; C752-H754 PolarHBondContact O-ND1 3.48Å; C752-C772 VanDerWaalsContact SG-CB 3.6Å; C752-C772 PolarHBondContact SG-SG 2.85Å; C752-C775 PolarHBondContact SG-SG 2.98Å; C752-Y777 HydrophobicContact CB-CD1 4.11Å; C752-Y777 HydrophobicContact CB-CG 3.98Å
753	Q	92.5	Very high	93.4	Very high	120 Å²	120	37.6 Å²	37.6	56%	0.561	18%	0.18	S	C	*	.	S	Bend	trans	60.8	29.6	174.1	-57.9	-173.8	-12.6	0	0	115.7	T750 V751	T750-Q753 WeakPolarHBondContact O-CA 3.28Å; T750-Q753 PolarHBondContact O-N 3.26Å; V751-Q753 PolarHBondContact O-N 3.38Å
754	H	94	Very high	93.4	Very high	70 Å²	70	38.5 Å²	38.5	32%	0.324	19%	0.186	S	C	.	.			trans	-101.5	144.4	171.5	-67.1	89.2	0	0	0	110.8	T749 T750 C752 A774 C775	T749-H754 WeakPolarHBondContact CA-O 3.45Å; T750-H754 PolarHBondContact N-O 3.23Å; T750-H754 PolarHBondContact OG1-N 3.48Å; T750-H754 VanDerWaalsContact OG1-N 3.09Å; T750-H754 PolarHBondContact OG1-O 3.46Å; T750-H754 VanDerWaalsContact OG1-O 3.11Å; C752-H754 VanDerWaalsContact C-N 3.33Å; C752-H754 PolarHBondContact O-N 2.99Å; C752-H754 PolarHBondContact O-ND1 3.48Å; H754-A774 HydrophobicContact CB-CB 3.88Å; H754-A774 WeakPolarHBondContact CD2-CB 3.41Å; H754-C775 VanDerWaalsContact CE1-CB 3.49Å; H754-C775 WeakPolarHBondContact CE1-CB 3.04Å; H754-C775 VanDerWaalsContact CE1-SG 3.59Å
755	N	96.4	Very high	93.4	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.08	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.3	179.4	-64.1	-73.5	0	0	0	110.1	N703 L706 F735 V744 I748 T749 L791	N703-N755 PolarHBondContact ND2-OD1 3.25Å; N703-N755 PolarHBondContact OD1-ND2 2.85Å; N703-N755 PolarHBondContact OD1-OD1 3.14Å; L706-N755 WeakPolarHBondContact CD1-ND2 3.41Å; F735-N755 HydrophobicContact CD1-CB 4.46Å; V744-N755 HydrophobicContact CG1-CB 4.13Å; I748-N755 WeakPolarHBondContact O-CA 3.47Å; T749-N755 WeakPolarHBondContact CB-OD1 3.47Å; T749-N755 PolarHBondContact OG1-OD1 3.41Å; N755-L791 WeakPolarHBondContact OD1-CD2 3.42Å
756	V	95.3	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.3	-178.7	-173.2	0	0	0	0	108.5	I748 C760 L761 P773	I748-V756 PolarHBondContact N-O 2.74Å; I748-V756 PolarHBondContact O-N 3.42Å; V756-C760 HydrophobicContact CG1-CB 3.99Å; V756-L761 HydrophobicContact CG1-CB 4.18Å; V756-P773 HydrophobicContact CG1-CG 4.43Å
757	C	95.1	Very high	93.2	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.047	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	139.4	172.6	-58.1	0	0	0	0	110.3	C737 F745 D759 C760 L761	C737-C757 VanDerWaalsContact CB-SG 3.57Å; C737-C757 PolarHBondContact SG-N 3.2Å; C737-C757 VanDerWaalsContact SG-N 3.43Å; C737-C757 VanDerWaalsContact SG-SG 3.66Å; F745-C757 PolarHBondContact N-SG 3.06Å; F745-C757 VanDerWaalsContact O-CA 3.31Å; F745-C757 WeakPolarHBondContact O-CA 3.3Å; F745-C757 WeakPolarHBondContact O-CB 3.42Å; C757-D759 VanDerWaalsContact C-N 3.29Å; C757-D759 PolarHBondContact O-N 2.87Å; C757-C760 HydrophobicContact CB-CB 3.99Å; C757-C760 WeakPolarHBondContact O-CB 3.1Å; C757-C760 PolarHBondContact O-N 3.25Å; C757-C760 VanDerWaalsContact O-N 3.08Å; C757-L761 PolarHBondContact O-N 2.78Å
758	K	94.5	Very high	92.9	Very high	50 Å²	50	52.8 Å²	52.8	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-52.7	-47.1	176.8	-177.2	179.8	-179.3	-61.3	0	112	R746 I748 C760 L761 D762 V787	R746-K758 HydrophobicContact CB-CB 4.04Å; R746-K758 VanDerWaalsContact O-CB 3.29Å; R746-K758 WeakPolarHBondContact O-CB 3.29Å; R746-K758 PolarHBondContact O-N 2.98Å; I748-K758 HydrophobicContact CD1-CB 4.01Å; I748-K758 HydrophobicContact CD1-CG 4.11Å; I748-K758 HydrophobicContact CG1-CB 3.94Å; I748-K758 HydrophobicContact CG1-CG 4.3Å; K758-C760 VanDerWaalsContact C-N 3.29Å; K758-C760 PolarHBondContact O-N 2.88Å; K758-L761 PolarHBondContact O-N 3.08Å; K758-D762 IonicContact NZ-OD1 3.72Å; K758-D762 IonicContact NZ-OD2 3.65Å; K758-D762 PolarHBondContact NZ-OD2 3.07Å; K758-D762 WeakPolarHBondContact O-CB 3.48Å; K758-D762 PolarHBondContact O-N 2.95Å; K758-V787 HydrophobicContact CD-CG2 3.97Å
759	D	91.6	Very high	92.7	Very high	47 Å²	47	55.5 Å²	55.5	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-68.8	-27.7	-178.6	-55.5	-46.5	0	0	0	113.5	R746 C757 R763	R746-D759 IonicContact CZ-OD1 3.87Å; R746-D759 IonicContact CZ-OD2 2.73Å; R746-D759 IonicContact NE-OD2 3.22Å; R746-D759 IonicContact NH1-OD1 3.89Å; R746-D759 IonicContact NH2-OD1 3.74Å; R746-D759 PolarHBondContact NH2-OD1 3.34Å; R746-D759 IonicContact NH2-OD2 3.97Å; R746-D759 PolarHBondContact NH2-OD2 3.11Å; C757-D759 VanDerWaalsContact C-N 3.29Å; C757-D759 PolarHBondContact O-N 2.87Å; D759-R763 WeakPolarHBondContact O-CB 3.28Å; D759-R763 WeakPolarHBondContact O-CG 3.24Å; D759-R763 PolarHBondContact O-N 3.21Å; D759-R763 VanDerWaalsContact O-N 3.09Å; D759-R763 PolarHBondContact O-NE 3.43Å
760	C	92.6	Very high	92.6	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-41.8	173.4	-71.3	0	0	0	0	111	C739 V756 C757 K758 S764	C739-C760 HydrophobicContact CB-CB 3.61Å; V756-C760 HydrophobicContact CG1-CB 3.99Å; C757-C760 HydrophobicContact CB-CB 3.99Å; C757-C760 WeakPolarHBondContact O-CB 3.1Å; C757-C760 PolarHBondContact O-N 3.25Å; C757-C760 VanDerWaalsContact O-N 3.08Å; K758-C760 VanDerWaalsContact C-N 3.29Å; K758-C760 PolarHBondContact O-N 2.88Å; C760-S764 PolarHBondContact O-N 3.26Å; C760-S764 VanDerWaalsContact O-N 3.15Å
761	L	93.4	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.7	-40.6	177.6	-167.8	62.4	0	0	0	111.6	I748 V756 C757 K758 R763 S764 F765 P773 L779 Y783 M785	I748-L761 HydrophobicContact CB-CD2 4.12Å; I748-L761 HydrophobicContact CG1-CD2 4.3Å; I748-L761 HydrophobicContact CG2-CD2 3.84Å; V756-L761 HydrophobicContact CG1-CB 4.18Å; C757-L761 PolarHBondContact O-N 2.78Å; K758-L761 PolarHBondContact O-N 3.08Å; L761-R763 VanDerWaalsContact C-N 3.35Å; L761-R763 PolarHBondContact O-N 3.29Å; L761-S764 WeakPolarHBondContact O-CB 3.17Å; L761-S764 PolarHBondContact O-N 2.71Å; L761-F765 HydrophobicContact CD1-CD1 4.33Å; L761-F765 HydrophobicContact CD1-CE1 3.99Å; L761-F765 HydrophobicContact CG-CD1 4.41Å; L761-F765 HydrophobicContact CG-CE1 4.24Å; L761-F765 WeakPolarHBondContact O-CD1 3.43Å; L761-F765 PolarHBondContact O-N 2.92Å; L761-P773 HydrophobicContact CD1-CG 4.16Å; L761-L779 HydrophobicContact CD1-CD1 4.1Å; L761-Y783 HydrophobicContact CD2-CE1 4.49Å; L761-M785 HydrophobicContact CB-SD 4Å; L761-M785 HydrophobicContact CD2-CE 4.3Å; L761-M785 HydrophobicContact CD2-CG 4.05Å; L761-M785 HydrophobicContact CD2-SD 3.79Å; L761-M785 HydrophobicContact CG-CE 3.9Å; L761-M785 HydrophobicContact CG-SD 3.76Å
762	D	92.3	Very high	92.6	Very high	35 Å²	35	52.6 Å²	52.6	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-45.5	173.4	-84.6	-28.5	0	0	0	111.1	K758 S764 F765 R766	K758-D762 IonicContact NZ-OD1 3.72Å; K758-D762 IonicContact NZ-OD2 3.65Å; K758-D762 PolarHBondContact NZ-OD2 3.07Å; K758-D762 WeakPolarHBondContact O-CB 3.48Å; K758-D762 PolarHBondContact O-N 2.95Å; D762-S764 VanDerWaalsContact C-N 3.33Å; D762-S764 PolarHBondContact O-N 3.05Å; D762-F765 PolarHBondContact O-N 3.4Å; D762-R766 WeakPolarHBondContact O-CG 3.45Å; D762-R766 PolarHBondContact O-N 3.02Å
763	R	91.3	Very high	92.6	Very high	161 Å²	161	52 Å²	52	61%	0.608	25%	0.253	S	S	*	.	H	α-helix	trans	-60.1	-41.2	175.3	-82.3	-175.1	-74.7	-171.1	-2.5	112.4	D759 L761 F765 R766 A767	D759-R763 WeakPolarHBondContact O-CB 3.28Å; D759-R763 WeakPolarHBondContact O-CG 3.24Å; D759-R763 PolarHBondContact O-N 3.21Å; D759-R763 VanDerWaalsContact O-N 3.09Å; D759-R763 PolarHBondContact O-NE 3.43Å; L761-R763 VanDerWaalsContact C-N 3.35Å; L761-R763 PolarHBondContact O-N 3.29Å; R763-F765 VanDerWaalsContact C-N 3.34Å; R763-F765 PolarHBondContact O-N 2.92Å; R763-R766 PolarHBondContact O-N 2.95Å; R763-A767 PolarHBondContact O-N 2.63Å; R763-A767 VanDerWaalsContact O-N 3.08Å
764	S	91.1	Very high	92.4	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-44.2	174.7	-173.2	0	0	0	0	111.8	C760 L761 D762 A767 V769	C760-S764 PolarHBondContact O-N 3.26Å; C760-S764 VanDerWaalsContact O-N 3.15Å; L761-S764 WeakPolarHBondContact O-CB 3.17Å; L761-S764 PolarHBondContact O-N 2.71Å; D762-S764 VanDerWaalsContact C-N 3.33Å; D762-S764 PolarHBondContact O-N 3.05Å; S764-A767 CarbonylContact O-C 3.53Å; S764-A767 PolarHBondContact O-N 3.01Å; S764-V769 CarbonylContact C-O 3.57Å; S764-V769 WeakPolarHBondContact O-CA 3.06Å; S764-V769 WeakPolarHBondContact O-CB 3.42Å; S764-V769 PolarHBondContact O-N 2.82Å; S764-V769 PolarHBondContact OG-O 3.22Å
765	F	91.2	Very high	92.3	Very high	22 Å²	22	47.7 Å²	47.7	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-69.5	-38.2	-179.9	-86	43.7	0	0	0	112.3	L761 D762 R763 A767 Q768 V769 F770 L779 G780 Y783 M785	L761-F765 HydrophobicContact CD1-CD1 4.33Å; L761-F765 HydrophobicContact CD1-CE1 3.99Å; L761-F765 HydrophobicContact CG-CD1 4.41Å; L761-F765 HydrophobicContact CG-CE1 4.24Å; L761-F765 WeakPolarHBondContact O-CD1 3.43Å; L761-F765 PolarHBondContact O-N 2.92Å; D762-F765 PolarHBondContact O-N 3.4Å; R763-F765 VanDerWaalsContact C-N 3.34Å; R763-F765 PolarHBondContact O-N 2.92Å; F765-A767 PolarHBondContact O-N 3.49Å; F765-Q768 WeakPolarHBondContact O-CA 3.24Å; F765-Q768 PolarHBondContact O-N 3.4Å; F765-V769 WeakPolarHBondContact CD1-O 3.38Å; F765-F770 HydrophobicContact CB-CD1 4.4Å; F765-F770 HydrophobicContact CB-CE1 4.35Å; F765-F770 HydrophobicContact CD1-CD1 4.3Å; F765-F770 AromaticContact CD2-CD1 3.65Å; F765-F770 HydrophobicContact CD2-CD1 3.65Å; F765-F770 HydrophobicContact CD2-CE1 4.07Å; F765-F770 AromaticContact CE2-CD1 3.89Å; F765-F770 HydrophobicContact CE2-CD1 3.89Å; F765-F770 AromaticContact CG-CD1 3.87Å; F765-F770 HydrophobicContact CG-CD1 3.87Å; F765-F770 HydrophobicContact CG-CE1 4.27Å; F765-F770 HydrophobicContact CZ-CB 4.46Å; F765-F770 HydrophobicContact CZ-CD1 4.32Å; F765-L779 HydrophobicContact CE1-CD1 4.15Å; F765-L779 HydrophobicContact CZ-CB 4.03Å; F765-L779 HydrophobicContact CZ-CD1 4.24Å; F765-G780 WeakPolarHBondContact CE2-O 3.31Å; F765-Y783 HydrophobicContact CZ-CD1 4.41Å; F765-Y783 HydrophobicContact CZ-CG 4.44Å; F765-M785 HydrophobicContact CB-CE 3.83Å; F765-M785 HydrophobicContact CD1-CE 3.63Å; F765-M785 HydrophobicContact CD2-CE 3.23Å; F765-M785 HydrophobicContact CE1-CE 3.95Å; F765-M785 HydrophobicContact CE2-CE 3.59Å; F765-M785 HydrophobicContact CG-CE 3.26Å; F765-M785 HydrophobicContact CZ-CE 3.94Å
766	R	89.9	Confident	92.1	Very high	202 Å²	202	55.3 Å²	55.3	76%	0.762	27%	0.273	S	S	*	.	H	α-helix	trans	-60.4	-35.5	172.3	-71.4	-178.4	-163.2	-154.7	4.8	111.9	D762 R763 Q768	D762-R766 WeakPolarHBondContact O-CG 3.45Å; D762-R766 PolarHBondContact O-N 3.02Å; R763-R766 PolarHBondContact O-N 2.95Å; R766-Q768 PolarHBondContact O-N 2.9Å
767	A	89.4	Confident	92	Very high	69 Å²	69	61.5 Å²	61.5	57%	0.57	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	14.3	172.9	0	0	0	0	0	114	R763 S764 F765 V769	R763-A767 PolarHBondContact O-N 2.63Å; R763-A767 VanDerWaalsContact O-N 3.08Å; S764-A767 CarbonylContact O-C 3.53Å; S764-A767 PolarHBondContact O-N 3.01Å; F765-A767 PolarHBondContact O-N 3.49Å; A767-V769 PolarHBondContact O-N 3.39Å
768	Q	90.6	Very high	91.9	Very high	126 Å²	126	66.5 Å²	66.5	59%	0.589	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	20.7	-178.6	-56	-67.7	-42.2	0	0	114.4	F765 R766 F770	F765-Q768 WeakPolarHBondContact O-CA 3.24Å; F765-Q768 PolarHBondContact O-N 3.4Å; R766-Q768 PolarHBondContact O-N 2.9Å; Q768-F770 HydrophobicContact CB-CE2 4.28Å; Q768-F770 WeakPolarHBondContact O-CD2 2.85Å; Q768-F770 WeakPolarHBondContact O-CE2 3.49Å
769	V	91.5	Very high	91.8	Very high	57 Å²	57	65 Å²	65	35%	0.345	32%	0.318	S	S	.	.			trans	-102.9	97.1	175.7	-177.3	0	0	0	0	109.6	S764 F765 A767 S771	S764-V769 CarbonylContact C-O 3.57Å; S764-V769 WeakPolarHBondContact O-CA 3.06Å; S764-V769 WeakPolarHBondContact O-CB 3.42Å; S764-V769 PolarHBondContact O-N 2.82Å; S764-V769 PolarHBondContact OG-O 3.22Å; F765-V769 WeakPolarHBondContact CD1-O 3.38Å; A767-V769 PolarHBondContact O-N 3.39Å; V769-S771 VanDerWaalsContact C-N 3.32Å; V769-S771 PolarHBondContact O-N 3.27Å
770	F	93.6	Very high	91.7	Very high	37 Å²	37	64 Å²	64	16%	0.162	32%	0.318	C	S	.	.			trans	-92.3	23.5	-176	-52.2	-72.2	0	0	0	114.1	F765 Q768 L779 G780 R781	F765-F770 HydrophobicContact CB-CD1 4.4Å; F765-F770 HydrophobicContact CB-CE1 4.35Å; F765-F770 HydrophobicContact CD1-CD1 4.3Å; F765-F770 AromaticContact CD2-CD1 3.65Å; F765-F770 HydrophobicContact CD2-CD1 3.65Å; F765-F770 HydrophobicContact CD2-CE1 4.07Å; F765-F770 AromaticContact CE2-CD1 3.89Å; F765-F770 HydrophobicContact CE2-CD1 3.89Å; F765-F770 AromaticContact CG-CD1 3.87Å; F765-F770 HydrophobicContact CG-CD1 3.87Å; F765-F770 HydrophobicContact CG-CE1 4.27Å; F765-F770 HydrophobicContact CZ-CB 4.46Å; F765-F770 HydrophobicContact CZ-CD1 4.32Å; Q768-F770 HydrophobicContact CB-CE2 4.28Å; Q768-F770 WeakPolarHBondContact O-CD2 2.85Å; Q768-F770 WeakPolarHBondContact O-CE2 3.49Å; F770-L779 WeakPolarHBondContact O-CB 3.45Å; F770-L779 PolarHBondContact O-N 3.44Å; F770-G780 PolarHBondContact O-N 3.45Å; F770-R781 HydrophobicContact CD1-CB 4.31Å; F770-R781 HydrophobicContact CD1-CG 4.05Å; F770-R781 HydrophobicContact CD2-CG 3.72Å; F770-R781 HydrophobicContact CE1-CB 4.26Å; F770-R781 HydrophobicContact CE1-CG 4.02Å; F770-R781 HydrophobicContact CE2-CG 3.69Å; F770-R781 HydrophobicContact CG-CG 3.9Å; F770-R781 HydrophobicContact CZ-CB 4.48Å; F770-R781 HydrophobicContact CZ-CG 3.83Å
771	S	93.4	Very high	91.5	Very high	23 Å²	23	72.8 Å²	72.8	16%	0.161	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-109.1	154.4	179.4	61.3	0	0	0	0	111.4	V769 P773 Y777	V769-S771 VanDerWaalsContact C-N 3.32Å; V769-S771 PolarHBondContact O-N 3.27Å; S771-P773 WeakPolarHBondContact O-CD 3.26Å; S771-Y777 CarbonylContact C-O 3.48Å; S771-Y777 WeakPolarHBondContact CA-O 3.44Å
772	C	92.7	Very high	91.1	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.39	C	S	.	.			trans	-59.4	123.6	173	177.5	0	0	0	0	110	C752 A774 R776 Y777 L779	C752-C772 VanDerWaalsContact SG-CB 3.6Å; C752-C772 PolarHBondContact SG-SG 2.85Å; C772-A774 PolarHBondContact O-N 3.47Å; C772-A774 VanDerWaalsContact O-N 3.15Å; C772-R776 WeakPolarHBondContact O-CA 3.11Å; C772-R776 PolarHBondContact O-N 3.42Å; C772-Y777 PolarHBondContact N-O 3.41Å; C772-L779 HydrophobicContact CB-CD1 4.28Å; C772-L779 HydrophobicContact CB-CD2 4.46Å; C772-L779 HydrophobicContact CB-CG 4.38Å
773	P	91.5	Very high	91.1	Very high	19 Å²	19	79 Å²	79	12%	0.123	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.7	-179.6	-27.7	36.5	0	0	0	114.6	I738 C739 V756 L761 S771	I738-P773 HydrophobicContact CG2-CB 3.78Å; C739-P773 WeakPolarHBondContact SG-CB 3.39Å; V756-P773 HydrophobicContact CG1-CG 4.43Å; L761-P773 HydrophobicContact CD1-CG 4.16Å; S771-P773 WeakPolarHBondContact O-CD 3.26Å
774	A	89.1	Confident	91	Very high	42 Å²	42	74.5 Å²	74.5	35%	0.347	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-45.6	-176.9	0	0	0	0	0	113.2	I738 H754 C772	I738-A774 HydrophobicContact CG2-CB 4.1Å; H754-A774 HydrophobicContact CB-CB 3.88Å; H754-A774 WeakPolarHBondContact CD2-CB 3.41Å; C772-A774 PolarHBondContact O-N 3.47Å; C772-A774 VanDerWaalsContact O-N 3.15Å
775	C	92.2	Very high	90.9	Very high	56 Å²	56	75 Å²	75	38%	0.378	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	2.3	-173	69.7	0	0	0	0	114.8	C752 H754 Y777	C752-C775 PolarHBondContact SG-SG 2.98Å; H754-C775 VanDerWaalsContact CE1-CB 3.49Å; H754-C775 WeakPolarHBondContact CE1-CB 3.04Å; H754-C775 VanDerWaalsContact CE1-SG 3.59Å; C775-Y777 PolarHBondContact O-N 2.96Å; C775-Y777 VanDerWaalsContact O-N 3.1Å; C775-Y777 VanDerWaalsContact SG-CB 3.56Å
776	R	91.9	Very high	91	Very high	176 Å²	176	81.4 Å²	81.4	66%	0.664	42%	0.417	S	S	*	.			trans	61.7	12	-179.7	-50.6	-59.9	-176.1	170.7	0	115.6	C772 D778	C772-R776 WeakPolarHBondContact O-CA 3.11Å; C772-R776 PolarHBondContact O-N 3.42Å; R776-D778 PolarHBondContact O-N 2.88Å
777	Y	92.3	Very high	91.2	Very high	130 Å²	130	73.7 Å²	73.7	51%	0.51	39%	0.392	S	S	.	.			trans	-57.9	133.5	170.2	-176.8	-94	0	0	0	110.7	V751 C752 S771 C772 C775 L779	V751-Y777 HydrophobicContact CG2-CD1 4.06Å; V751-Y777 HydrophobicContact CG2-CE1 3.59Å; C752-Y777 HydrophobicContact CB-CD1 4.11Å; C752-Y777 HydrophobicContact CB-CG 3.98Å; S771-Y777 CarbonylContact C-O 3.48Å; S771-Y777 WeakPolarHBondContact CA-O 3.44Å; C772-Y777 PolarHBondContact N-O 3.41Å; C775-Y777 PolarHBondContact O-N 2.96Å; C775-Y777 VanDerWaalsContact O-N 3.1Å; C775-Y777 VanDerWaalsContact SG-CB 3.56Å; Y777-L779 HydrophobicContact CD1-CD2 4.15Å; Y777-L779 PolarHBondContact O-N 3.21Å
778	D	93.9	Very high	91.5	Very high	112 Å²	112	71.1 Å²	71.1	60%	0.599	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-71.5	122	-179.9	-173.6	10.9	0	0	0	111	R776 G780	R776-D778 PolarHBondContact O-N 2.88Å; D778-G780 PolarHBondContact OD1-N 3.02Å
779	L	92.5	Very high	91.6	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.094	37%	0.366	C	S	.	.			trans	-95.1	-18.7	179.5	-60.1	173.4	0	0	0	111.8	T750 V751 L761 F765 F770 C772 Y777 Y783	T750-L779 HydrophobicContact CG2-CD1 4.2Å; T750-L779 HydrophobicContact CG2-CD2 4.38Å; V751-L779 HydrophobicContact CG2-CD2 3.83Å; L761-L779 HydrophobicContact CD1-CD1 4.1Å; F765-L779 HydrophobicContact CE1-CD1 4.15Å; F765-L779 HydrophobicContact CZ-CB 4.03Å; F765-L779 HydrophobicContact CZ-CD1 4.24Å; F770-L779 WeakPolarHBondContact O-CB 3.45Å; F770-L779 PolarHBondContact O-N 3.44Å; C772-L779 HydrophobicContact CB-CD1 4.28Å; C772-L779 HydrophobicContact CB-CD2 4.46Å; C772-L779 HydrophobicContact CB-CG 4.38Å; Y777-L779 HydrophobicContact CD1-CD2 4.15Å; Y777-L779 PolarHBondContact O-N 3.21Å; L779-Y783 HydrophobicContact CB-CD1 4.42Å; L779-Y783 HydrophobicContact CB-CD2 3.99Å; L779-Y783 HydrophobicContact CB-CG 3.92Å; L779-Y783 HydrophobicContact CD1-CD1 4.47Å; L779-Y783 HydrophobicContact CD2-CD2 4.41Å; L779-Y783 HydrophobicContact CD2-CE2 4.19Å; L779-Y783 WeakPolarHBondContact O-CB 3.14Å; L779-Y783 WeakPolarHBondContact O-CD2 3.48Å
780	G	90.3	Very high	91.7	Very high	25 Å²	25	69.7 Å²	69.7	26%	0.258	36%	0.362	S	S	.	.			trans	78.3	157.2	-175.1	0	0	0	0	0	114.3	F765 F770 D778 S782 Y783	F765-G780 WeakPolarHBondContact CE2-O 3.31Å; F770-G780 PolarHBondContact O-N 3.45Å; D778-G780 PolarHBondContact OD1-N 3.02Å; G780-S782 VanDerWaalsContact C-N 3.3Å; G780-S782 PolarHBondContact O-N 3.3Å; G780-Y783 WeakPolarHBondContact O-CB 3.48Å; G780-Y783 PolarHBondContact O-N 3.05Å
781	R	87.6	Confident	91.8	Very high	196 Å²	196	68 Å²	68	74%	0.74	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.1	-175.6	-62.8	-172.5	178.3	-163.1	-2	114.1	F770	F770-R781 HydrophobicContact CD1-CB 4.31Å; F770-R781 HydrophobicContact CD1-CG 4.05Å; F770-R781 HydrophobicContact CD2-CG 3.72Å; F770-R781 HydrophobicContact CE1-CB 4.26Å; F770-R781 HydrophobicContact CE1-CG 4.02Å; F770-R781 HydrophobicContact CE2-CG 3.69Å; F770-R781 HydrophobicContact CG-CG 3.9Å; F770-R781 HydrophobicContact CZ-CB 4.48Å; F770-R781 HydrophobicContact CZ-CG 3.83Å
782	S	85.8	Confident	91.7	Very high	119 Å²	119	67.4 Å²	67.4	83%	0.832	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	20.8	-178.2	60.1	0	0	0	0	112.9	G780 A784	G780-S782 VanDerWaalsContact C-N 3.3Å; G780-S782 PolarHBondContact O-N 3.3Å; S782-A784 PolarHBondContact O-N 2.88Å
783	Y	90.9	Very high	91.6	Very high	48 Å²	48	70.3 Å²	70.3	19%	0.188	37%	0.367	C	S	.	.			trans	-61.4	124.2	-179.4	-171.3	-106.1	0	0	0	111.4	I748 T750 V751 L761 F765 L779 G780 M785	I748-Y783 HydrophobicContact CG2-CE1 4.26Å; T750-Y783 WeakPolarHBondContact CA-OH 3.24Å; V751-Y783 HydrophobicContact CG1-CE2 3.91Å; V751-Y783 HydrophobicContact CG2-CE2 4.31Å; V751-Y783 PolarHBondContact N-OH 3.25Å; L761-Y783 HydrophobicContact CD2-CE1 4.49Å; F765-Y783 HydrophobicContact CZ-CD1 4.41Å; F765-Y783 HydrophobicContact CZ-CG 4.44Å; L779-Y783 HydrophobicContact CB-CD1 4.42Å; L779-Y783 HydrophobicContact CB-CD2 3.99Å; L779-Y783 HydrophobicContact CB-CG 3.92Å; L779-Y783 HydrophobicContact CD1-CD1 4.47Å; L779-Y783 HydrophobicContact CD2-CD2 4.41Å; L779-Y783 HydrophobicContact CD2-CE2 4.19Å; L779-Y783 WeakPolarHBondContact O-CB 3.14Å; L779-Y783 WeakPolarHBondContact O-CD2 3.48Å; G780-Y783 WeakPolarHBondContact O-CB 3.48Å; G780-Y783 PolarHBondContact O-N 3.05Å; Y783-M785 HydrophobicContact CD1-CG 4.1Å; Y783-M785 PolarHBondContact O-N 3.4Å
784	A	88.8	Confident	91.6	Very high	66 Å²	66	69.5 Å²	69.5	55%	0.545	36%	0.362	S	S	.	.			trans	-79.8	104.4	178.5	0	0	0	0	0	110.8	S782 Q786	S782-A784 PolarHBondContact O-N 2.88Å; A784-Q786 VanDerWaalsContact C-N 3.33Å; A784-Q786 PolarHBondContact O-N 3.25Å
785	M	91	Very high	91.6	Very high	31 Å²	31	67.5 Å²	67.5	15%	0.153	35%	0.345	C	S	.	.			trans	-77.4	77.8	178.4	-59.9	-167.3	-157.6	0	0	111.9	I748 L761 F765 Y783	I748-M785 HydrophobicContact CD1-CB 4.01Å; I748-M785 HydrophobicContact CG1-CB 4.35Å; L761-M785 HydrophobicContact CB-SD 4Å; L761-M785 HydrophobicContact CD2-CE 4.3Å; L761-M785 HydrophobicContact CD2-CG 4.05Å; L761-M785 HydrophobicContact CD2-SD 3.79Å; L761-M785 HydrophobicContact CG-CE 3.9Å; L761-M785 HydrophobicContact CG-SD 3.76Å; F765-M785 HydrophobicContact CB-CE 3.83Å; F765-M785 HydrophobicContact CD1-CE 3.63Å; F765-M785 HydrophobicContact CD2-CE 3.23Å; F765-M785 HydrophobicContact CE1-CE 3.95Å; F765-M785 HydrophobicContact CE2-CE 3.59Å; F765-M785 HydrophobicContact CG-CE 3.26Å; F765-M785 HydrophobicContact CZ-CE 3.94Å; Y783-M785 HydrophobicContact CD1-CG 4.1Å; Y783-M785 PolarHBondContact O-N 3.4Å
786	Q	92	Very high	91.3	Very high	157 Å²	157	68.1 Å²	68.1	73%	0.734	35%	0.345	S	S	*	.			trans	-84.8	128.7	175.3	-65.2	-174.3	-4.4	0	0	111.5	I748 A784 N788	I748-Q786 VanDerWaalsContact CD1-C 3.44Å; I748-Q786 VanDerWaalsContact CD1-O 3.24Å; I748-Q786 WeakPolarHBondContact CD1-O 3.4Å; A784-Q786 VanDerWaalsContact C-N 3.33Å; A784-Q786 PolarHBondContact O-N 3.25Å; Q786-N788 PolarHBondContact O-N 2.81Å
787	V	95	Very high	90.9	Very high	40 Å²	40	62.2 Å²	62.2	24%	0.242	33%	0.325	C	S	.	.			trans	-69.4	127.5	176.5	178.8	0	0	0	0	109.9	R746 P747 I748 K758 Q789	R746-V787 HydrophobicContact CB-CG1 4.33Å; R746-V787 HydrophobicContact CB-CG2 4.21Å; P747-V787 WeakPolarHBondContact O-CA 3.49Å; I748-V787 HydrophobicContact CD1-CG2 4.11Å; K758-V787 HydrophobicContact CD-CG2 3.97Å; V787-Q789 VanDerWaalsContact C-N 3.33Å; V787-Q789 PolarHBondContact O-N 3.3Å
788	N	95.1	Very high	90.6	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.08	30%	0.302	C	S	.	.			trans	-72.4	88.6	171.3	-176.7	-16.5	0	0	0	109.4	D700 S702 N703 P747 T749 Q786 P790 L791 Q792	D700-N788 PolarHBondContact OD1-ND2 3.29Å; S702-N788 PolarHBondContact OG-ND2 3.07Å; N703-N788 PolarHBondContact ND2-ND2 3.22Å; N703-N788 VanDerWaalsContact ND2-ND2 3.14Å; P747-N788 HydrophobicContact CG-CB 4.41Å; P747-N788 PolarHBondContact O-N 2.93Å; T749-N788 PolarHBondContact OG1-ND2 2.85Å; Q786-N788 PolarHBondContact O-N 2.81Å; N788-P790 VanDerWaalsContact OD1-CD 3.25Å; N788-P790 WeakPolarHBondContact OD1-CD 3.48Å; N788-L791 HydrophobicContact CB-CB 4.12Å; N788-L791 VanDerWaalsContact CG-CB 3.48Å; N788-L791 PolarHBondContact O-N 3.01Å; N788-L791 PolarHBondContact OD1-N 2.91Å; N788-Q792 PolarHBondContact O-N 3.22Å
789	Q	93.6	Very high	90	Very high	113 Å²	113	51 Å²	51	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-39	-179.1	-65.8	-63.5	13.3	0	0	114.5	V787 L791 Q792 T793	V787-Q789 VanDerWaalsContact C-N 3.33Å; V787-Q789 PolarHBondContact O-N 3.3Å; Q789-L791 PolarHBondContact O-N 3.47Å; Q789-Q792 PolarHBondContact O-N 3.39Å; Q789-T793 WeakPolarHBondContact O-CB 3.29Å; Q789-T793 PolarHBondContact O-N 2.83Å; Q789-T793 PolarHBondContact O-OG1 3.03Å
790	P	93.5	Very high	89.2	Confident	41 Å²	41	54.1 Å²	54.1	27%	0.266	30%	0.295	S	S	.	.	H	α-helix	trans	-54.1	-50.5	170.9	-29.2	35.6	0	0	0	112.8	E699 D700 N788 Q792 T793 V794	E699-P790 HydrophobicContact CB-CB 4.31Å; D700-P790 HydrophobicContact CB-CB 3.84Å; N788-P790 VanDerWaalsContact OD1-CD 3.25Å; N788-P790 WeakPolarHBondContact OD1-CD 3.48Å; P790-Q792 PolarHBondContact O-N 2.73Å; P790-T793 PolarHBondContact O-N 2.85Å; P790-V794 WeakPolarHBondContact O-CG2 3.49Å; P790-V794 PolarHBondContact O-N 3.33Å
791	L	94.1	Very high	88	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-47.2	178	-179.6	56.4	0	0	0	111.6	D700 W707 F735 V744 P747 N755 N788 Q789 T793 V794 L795	D700-L791 WeakPolarHBondContact OD2-CB 3.2Å; W707-L791 HydrophobicContact CZ2-CD1 3.72Å; F735-L791 HydrophobicContact CD1-CD1 3.85Å; F735-L791 HydrophobicContact CD1-CD2 3.85Å; F735-L791 HydrophobicContact CD2-CD1 4.47Å; F735-L791 HydrophobicContact CE1-CD1 3.71Å; F735-L791 HydrophobicContact CE1-CD2 4Å; F735-L791 HydrophobicContact CE2-CD1 4.35Å; F735-L791 HydrophobicContact CG-CD1 4.23Å; F735-L791 HydrophobicContact CZ-CD1 3.97Å; V744-L791 HydrophobicContact CG2-CD2 4.27Å; P747-L791 HydrophobicContact CB-CD2 3.7Å; P747-L791 HydrophobicContact CB-CG 4.34Å; P747-L791 HydrophobicContact CG-CB 4.05Å; P747-L791 HydrophobicContact CG-CD2 3.8Å; P747-L791 HydrophobicContact CG-CG 3.87Å; N755-L791 WeakPolarHBondContact OD1-CD2 3.42Å; N788-L791 HydrophobicContact CB-CB 4.12Å; N788-L791 VanDerWaalsContact CG-CB 3.48Å; N788-L791 PolarHBondContact O-N 3.01Å; N788-L791 PolarHBondContact OD1-N 2.91Å; Q789-L791 PolarHBondContact O-N 3.47Å; L791-T793 VanDerWaalsContact C-N 3.25Å; L791-T793 PolarHBondContact O-N 3.47Å; L791-V794 PolarHBondContact O-N 3.03Å; L791-L795 HydrophobicContact CD1-CD1 4.02Å; L791-L795 HydrophobicContact CD1-CD2 4.38Å; L791-L795 HydrophobicContact CD1-CG 3.94Å; L791-L795 HydrophobicContact CG-CD1 4.01Å; L791-L795 HydrophobicContact CG-CG 4.32Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 2.86Å
792	Q	92.9	Very high	87.5	Confident	11 Å²	11	44.8 Å²	44.8	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-40.5	178	-176.2	58.9	70.6	0	0	112.2	R746 P747 N788 Q789 P790 N796 Y802	R746-Q792 VanDerWaalsContact CA-OE1 3.22Å; P747-Q792 HydrophobicContact CG-CB 4.28Å; N788-Q792 PolarHBondContact O-N 3.22Å; Q789-Q792 PolarHBondContact O-N 3.39Å; P790-Q792 PolarHBondContact O-N 2.73Å; Q792-N796 PolarHBondContact NE2-ND2 2.89Å; Q792-N796 PolarHBondContact NE2-OD1 3.17Å; Q792-N796 WeakPolarHBondContact O-CB 3.31Å; Q792-N796 VanDerWaalsContact O-CG 3.29Å; Q792-N796 PolarHBondContact O-N 3.38Å; Q792-N796 PolarHBondContact O-ND2 3.39Å; Q792-Y802 PolarHBondContact NE2-OH 3.42Å
793	T	89.5	Confident	86.6	Confident	62 Å²	62	39.8 Å²	39.8	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-68.6	-43.3	-179.6	-55.7	0	0	0	0	111.3	L696 Q789 P790 L791 N796 Q797	L696-T793 HydrophobicContact CD1-CG2 4.15Å; L696-T793 HydrophobicContact CD2-CG2 3.83Å; Q789-T793 WeakPolarHBondContact O-CB 3.29Å; Q789-T793 PolarHBondContact O-N 2.83Å; Q789-T793 PolarHBondContact O-OG1 3.03Å; P790-T793 PolarHBondContact O-N 2.85Å; L791-T793 VanDerWaalsContact C-N 3.25Å; L791-T793 PolarHBondContact O-N 3.47Å; T793-N796 PolarHBondContact O-N 3.48Å; T793-Q797 PolarHBondContact O-N 2.86Å; T793-Q797 VanDerWaalsContact O-N 3.09Å
794	V	90.9	Very high	85.3	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-48.5	174.6	176.3	0	0	0	0	110.7	L696 I697 W707 P790 L791 N796 Q797 L798	L696-V794 HydrophobicContact CB-CG2 3.5Å; L696-V794 WeakPolarHBondContact O-CG2 3.28Å; I697-V794 HydrophobicContact CD1-CG1 4.45Å; I697-V794 HydrophobicContact CG1-CG1 3.74Å; I697-V794 HydrophobicContact CG1-CG2 4.12Å; W707-V794 HydrophobicContact CH2-CB 4.48Å; W707-V794 HydrophobicContact CH2-CG1 3.46Å; W707-V794 VanDerWaalsContact CH2-CG1 3.46Å; W707-V794 HydrophobicContact CZ2-CB 4.17Å; W707-V794 HydrophobicContact CZ2-CG1 3.59Å; W707-V794 HydrophobicContact CZ3-CG1 4.4Å; P790-V794 WeakPolarHBondContact O-CG2 3.49Å; P790-V794 PolarHBondContact O-N 3.33Å; L791-V794 PolarHBondContact O-N 3.03Å; V794-N796 PolarHBondContact O-N 2.98Å; V794-Q797 PolarHBondContact O-N 3.35Å; V794-Q797 VanDerWaalsContact O-N 3.11Å; V794-L798 HydrophobicContact CG1-CD1 3.69Å; V794-L798 HydrophobicContact CG1-CG 4.12Å; V794-L798 WeakPolarHBondContact O-CG 3.35Å; V794-L798 PolarHBondContact O-N 2.99Å
795	L	90.4	Very high	83.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-39.8	-179.1	-66.7	-179.2	0	0	0	111.9	V731 L743 V744 L791 Q797 L798 F799 Y802	V731-L795 HydrophobicContact CG1-CD2 3.75Å; L743-L795 HydrophobicContact CD1-CD1 4.18Å; L743-L795 HydrophobicContact CD1-CD2 4.01Å; L743-L795 HydrophobicContact CD2-CD2 4.42Å; L743-L795 HydrophobicContact CG-CD1 4.37Å; V744-L795 HydrophobicContact CG2-CD1 3.6Å; L791-L795 HydrophobicContact CD1-CD1 4.02Å; L791-L795 HydrophobicContact CD1-CD2 4.38Å; L791-L795 HydrophobicContact CD1-CG 3.94Å; L791-L795 HydrophobicContact CG-CD1 4.01Å; L791-L795 HydrophobicContact CG-CG 4.32Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 2.86Å; L795-Q797 VanDerWaalsContact C-N 3.26Å; L795-Q797 PolarHBondContact O-N 3.11Å; L795-L798 PolarHBondContact O-N 3.15Å; L795-F799 HydrophobicContact CD2-CD2 4.38Å; L795-F799 HydrophobicContact CD2-CE2 4.27Å; L795-F799 WeakPolarHBondContact O-CA 3.3Å; L795-F799 WeakPolarHBondContact O-CB 3.5Å; L795-F799 PolarHBondContact O-N 3.37Å; L795-Y802 HydrophobicContact CB-CE1 3.72Å; L795-Y802 VanDerWaalsContact CB-OH 3.3Å; L795-Y802 WeakPolarHBondContact CB-OH 3.46Å; L795-Y802 WeakPolarHBondContact CD1-OH 3.47Å
796	N	85.7	Confident	82.2	Confident	69 Å²	69	45.5 Å²	45.5	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-34.3	174.1	-80.2	-27.1	0	0	0	112.4	Q792 T793 V794 F799 P800 Y802	Q792-N796 PolarHBondContact NE2-ND2 2.89Å; Q792-N796 PolarHBondContact NE2-OD1 3.17Å; Q792-N796 WeakPolarHBondContact O-CB 3.31Å; Q792-N796 VanDerWaalsContact O-CG 3.29Å; Q792-N796 PolarHBondContact O-N 3.38Å; Q792-N796 PolarHBondContact O-ND2 3.39Å; T793-N796 PolarHBondContact O-N 3.48Å; V794-N796 PolarHBondContact O-N 2.98Å; N796-F799 CarbonylContact O-C 3.53Å; N796-P800 VanDerWaalsContact O-CA 3.22Å; N796-P800 WeakPolarHBondContact O-CA 3.37Å; N796-Y802 WeakPolarHBondContact OD1-CE1 3.48Å
797	Q	83.7	Confident	81.7	Confident	53 Å²	53	39.9 Å²	39.9	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-76.1	-37.6	177.4	-163.4	-174.5	26.3	0	0	112.3	Q693 L696 T793 V794 L795	Q693-Q797 HydrophobicContact CG-CG 4.37Å; L696-Q797 VanDerWaalsContact CD1-OE1 3.22Å; T793-Q797 PolarHBondContact O-N 2.86Å; T793-Q797 VanDerWaalsContact O-N 3.09Å; V794-Q797 PolarHBondContact O-N 3.35Å; V794-Q797 VanDerWaalsContact O-N 3.11Å; L795-Q797 VanDerWaalsContact C-N 3.26Å; L795-Q797 PolarHBondContact O-N 3.11Å
798	L	84.6	Confident	81	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-77.1	-33.1	179.6	-68	-178	0	0	0	112.5	Q693 W707 F727 L728 V731 V794 L795	Q693-L798 HydrophobicContact CG-CD2 4.35Å; W707-L798 HydrophobicContact CH2-CD1 4.15Å; W707-L798 HydrophobicContact CZ3-CD1 4.5Å; F727-L798 HydrophobicContact CE1-CD1 3.93Å; F727-L798 HydrophobicContact CE1-CD2 3.81Å; F727-L798 HydrophobicContact CZ-CD1 4.16Å; L728-L798 HydrophobicContact CD2-CB 3.96Å; L728-L798 HydrophobicContact CD2-CD2 4.3Å; V731-L798 HydrophobicContact CG1-CD1 4.06Å; V731-L798 HydrophobicContact CG2-CD1 4.1Å; V794-L798 HydrophobicContact CG1-CD1 3.69Å; V794-L798 HydrophobicContact CG1-CG 4.12Å; V794-L798 WeakPolarHBondContact O-CG 3.35Å; V794-L798 PolarHBondContact O-N 2.99Å; L795-L798 PolarHBondContact O-N 3.15Å
799	F	82.6	Confident	80.2	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	25%	0.247	C	C	.	.	S	Bend	trans	-127.2	68.6	179.5	-54.7	-90.3	0	0	0	111	P435 L728 V731 E732 L743 L795 N796 G801 Y802	P435-F799 HydrophobicContact CB-CB 4Å; L728-F799 HydrophobicContact CB-CE1 4.09Å; L728-F799 HydrophobicContact CB-CZ 4.1Å; L728-F799 HydrophobicContact CD2-CE1 4.25Å; L728-F799 HydrophobicContact CD2-CE2 4.33Å; L728-F799 HydrophobicContact CD2-CZ 3.99Å; L728-F799 WeakPolarHBondContact O-CZ 3.32Å; V731-F799 HydrophobicContact CB-CE2 4.22Å; V731-F799 HydrophobicContact CB-CZ 4.27Å; V731-F799 HydrophobicContact CG1-CE2 3.74Å; V731-F799 HydrophobicContact CG1-CZ 4.27Å; E732-F799 HydrophobicContact CB-CZ 4.24Å; L743-F799 HydrophobicContact CD2-CB 4.26Å; L743-F799 HydrophobicContact CD2-CD1 4.28Å; L743-F799 HydrophobicContact CD2-CD2 3.47Å; L743-F799 VanDerWaalsContact CD2-CD2 3.47Å; L743-F799 HydrophobicContact CD2-CE2 3.76Å; L743-F799 HydrophobicContact CD2-CG 3.76Å; L743-F799 HydrophobicContact CD2-CZ 4.27Å; L795-F799 HydrophobicContact CD2-CD2 4.38Å; L795-F799 HydrophobicContact CD2-CE2 4.27Å; L795-F799 WeakPolarHBondContact O-CA 3.3Å; L795-F799 WeakPolarHBondContact O-CB 3.5Å; L795-F799 PolarHBondContact O-N 3.37Å; N796-F799 CarbonylContact O-C 3.53Å; F799-G801 PolarHBondContact O-N 3.02Å; F799-G801 VanDerWaalsContact O-N 3.13Å; F799-Y802 HydrophobicContact CB-CD1 3.93Å; F799-Y802 HydrophobicContact CB-CG 4.06Å; F799-Y802 WeakPolarHBondContact O-CB 3.37Å; F799-Y802 WeakPolarHBondContact O-CD1 3.49Å; F799-Y802 PolarHBondContact O-N 2.92Å; F799-Y802 VanDerWaalsContact O-N 3.11Å
800	P	75.2	Confident	79.4	Confident	83 Å²	83	37.1 Å²	37.1	54%	0.539	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	122.2	-176.7	-25.4	34.8	0	0	0	112.7	P435 N796	P435-P800 VanDerWaalsContact CG-O 3.29Å; P435-P800 WeakPolarHBondContact CG-O 3.42Å; N796-P800 VanDerWaalsContact O-CA 3.22Å; N796-P800 WeakPolarHBondContact O-CA 3.37Å
801	G	64.6	Low	78.5	Confident	23 Å²	23	36.8 Å²	36.8	24%	0.237	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	6.9	177.7	0	0	0	0	0	115.8	F799 G803 N804	F799-G801 PolarHBondContact O-N 3.02Å; F799-G801 VanDerWaalsContact O-N 3.13Å; G801-G803 PolarHBondContact O-N 3.49Å; G801-N804 VanDerWaalsContact O-CB 3.29Å; G801-N804 WeakPolarHBondContact O-CB 3.2Å; G801-N804 PolarHBondContact O-N 3Å
802	Y	78.3	Confident	77.5	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.008	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.2	176.8	89	-79.5	0	0	0	114	L743 V744 F745 Q792 L795 N796 F799 N804	L743-Y802 HydrophobicContact CB-CD2 4.42Å; L743-Y802 HydrophobicContact CB-CE2 4.44Å; L743-Y802 HydrophobicContact CD2-CD2 3.81Å; L743-Y802 HydrophobicContact CD2-CE2 3.88Å; L743-Y802 HydrophobicContact CD2-CG 4.21Å; L743-Y802 HydrophobicContact CG-CD2 4.2Å; L743-Y802 HydrophobicContact CG-CE2 3.94Å; V744-Y802 WeakPolarHBondContact O-CE2 3.45Å; V744-Y802 PolarHBondContact O-OH 3.32Å; F745-Y802 HydrophobicContact CB-CE2 4.47Å; F745-Y802 HydrophobicContact CD2-CE2 4.42Å; Q792-Y802 PolarHBondContact NE2-OH 3.42Å; L795-Y802 HydrophobicContact CB-CE1 3.72Å; L795-Y802 VanDerWaalsContact CB-OH 3.3Å; L795-Y802 WeakPolarHBondContact CB-OH 3.46Å; L795-Y802 WeakPolarHBondContact CD1-OH 3.47Å; N796-Y802 WeakPolarHBondContact OD1-CE1 3.48Å; F799-Y802 HydrophobicContact CB-CD1 3.93Å; F799-Y802 HydrophobicContact CB-CG 4.06Å; F799-Y802 WeakPolarHBondContact O-CB 3.37Å; F799-Y802 WeakPolarHBondContact O-CD1 3.49Å; F799-Y802 PolarHBondContact O-N 2.92Å; F799-Y802 VanDerWaalsContact O-N 3.11Å; Y802-N804 VanDerWaalsContact C-N 3.33Å
803	G	66.4	Low	76.4	Confident	14 Å²	14	41.3 Å²	41.3	14%	0.144	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.5	172.5	0	0	0	0	0	114.4	G801 G805 R806	G801-G803 PolarHBondContact O-N 3.49Å; G803-G805 PolarHBondContact O-N 3.26Å; G803-R806 PolarHBondContact O-N 3.36Å
804	N	63.8	Low	75.4	Confident	96 Å²	96	39.7 Å²	39.7	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	113.3	-178.2	-68.8	-7	0	0	0	110	G801 Y802	G801-N804 VanDerWaalsContact O-CB 3.29Å; G801-N804 WeakPolarHBondContact O-CB 3.2Å; G801-N804 PolarHBondContact O-N 3Å; Y802-N804 VanDerWaalsContact C-N 3.33Å
805	G	53.6	Low	74.1	Confident	76 Å²	76	42.9 Å²	42.9	78%	0.784	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	22.4	179.8	0	0	0	0	0	114.7	G803	G803-G805 PolarHBondContact O-N 3.26Å
806	R	60.4	Low	72.6	Confident	93 Å²	93	46.8 Å²	46.8	35%	0.351	29%	0.293	S	S	.	.			trans	-120.8	0	175.2	-79.1	-164.8	166.2	166.6	17.8	113.5	T424 E742 L743 F745 G803	T424-R806 PolarHBondContact O-NH2 3.34Å; E742-R806 VanDerWaalsContact CG-NH2 3.34Å; E742-R806 IonicContact OE1-CZ 3.58Å; E742-R806 IonicContact OE1-NE 3.54Å; E742-R806 IonicContact OE1-NH2 3.28Å; E742-R806 PolarHBondContact OE1-NH2 3.35Å; E742-R806 IonicContact OE2-CZ 2.81Å; E742-R806 IonicContact OE2-NE 2.68Å; E742-R806 PolarHBondContact OE2-NE 3.12Å; E742-R806 IonicContact OE2-NH1 3.85Å; E742-R806 IonicContact OE2-NH2 3.69Å; E742-R806 PolarHBondContact OE2-NH2 3.45Å; L743-R806 PolarHBondContact O-NH1 3.47Å; F745-R806 HydrophobicContact CD1-CB 3.78Å; F745-R806 HydrophobicContact CE1-CB 3.95Å; F745-R806 VanDerWaalsContact CE1-O 3.24Å; F745-R806 WeakPolarHBondContact CE1-O 3.39Å; F745-R806 HydrophobicContact CG-CB 4.16Å; F745-R806 HydrophobicContact CZ-CB 4.49Å; G803-R806 PolarHBondContact O-N 3.36Å

Retrieved 806 of 806 residues in 659.2 ms (Link to these results)

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