A0A087XMM3_POEFO Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A087XMM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 aa.

						>A0A087XMM3_POEFO|A0A087XMM3
KSDHGQMLLDAVFKHLELTERDYFGLHLADDGSDTPRWLDPNKPIRKQLKRGSPHNLSFRVKFFVTDPSKLQEEYTRRYQYFLQIKQDILTGRLPCPHNTAALLASYAVQSELGDYNEAEHSSGYLSEFCFIPNPPQDFHKEVSKHHQQHSGLSPAQSEFNYLNTARSLELYGVELHYARDQSNAEILIGVMSAGIVVYKNRVRINYFPWLKIVKISFKCKQFFIHFVTVQAETRETLLGFNMVNYRACKNLWKACVEHHTFFRLERPIPPQKNFFAHYFSLGSKNTKETGSRCRNELDGTRLRPSSVGHLVDHVIHASPSLPVFSSNHKSASSTQANSISLDSTPSVETTSSSSGKTSALTWQSINKTSPQNSQPLTCPAGKVDQSVLQDLNFSRVLRAIVEGPLLYCDLNGVVPHDNLVLIKMRPDEHGRFGFNVKGGADQKMPIIVSRVAPGTSADLCVPRLNEGDQVVLINGRDISDHTHDQVVMFIKASCESHSGELILLVRPNAIYDVVEEKVDSEPEFQYIPEKSLQDPTQLDQHALRDSMVALKEGLSSGAILAQFDQLYRKRPGMTMLCAKLPQNVSKNRYRDISPYDATRVVLKSTDDYINANYINMEIPASSLINRYIACQGPLPNTCPDFWRMTWEQGSSMVVMLTTQVERGRVKCHQYWPNPDSSATYGDFKVTCHNEEGNSAFLVREMTIGNIQSEQQRELTQLQYLAWPDHGVPDDSTDFLDFVALVRSKRAGQDQPMVVHCSAGIGRTGVLITMETSLCLMECGQPVYPLDIVRTMRDQRAMMIQTPSQYRFVCEAILKVYDEGLFKPQAAA
					

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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	K	57.3	Low	78.4	Confident	162 Å²	162	70.4 Å²	70.4	70%	0.704	37%	0.374	S	S	*	.				0	-40.6	0	-86.1	-175.7	-179.7	175.1	0	112.9	D3 R46	K1-D3 PolarHBondContact N-OD2 3.43Å; K1-D3 PolarHBondContact O-N 2.89Å; K1-R46 VanDerWaalsContact O-CB 3.31Å; K1-R46 WeakPolarHBondContact O-CB 3.46Å; K1-R46 PolarHBondContact O-N 3.27Å
2	S	62	Low	78.9	Confident	85 Å²	85	67.3 Å²	67.3	59%	0.594	36%	0.36	S	S	*	.			trans	-59	-27	170	30.1	0	0	0	0	113.8
3	D	76.9	Confident	79.3	Confident	72 Å²	72	62.8 Å²	62.8	39%	0.385	34%	0.335	S	S	.	.	S	Bend	trans	-78.4	157.4	-161.4	-29.1	-63.5	0	0	0	110.7	K1 M7 P44 I45	K1-D3 PolarHBondContact N-OD2 3.43Å; K1-D3 PolarHBondContact O-N 2.89Å; D3-M7 HydrophobicContact CB-CB 4.42Å; D3-M7 HydrophobicContact CB-CG 4.39Å; D3-P44 CarbonylContact O-C 3.56Å; D3-P44 WeakPolarHBondContact O-CA 3.43Å; D3-I45 WeakPolarHBondContact O-CG1 3.34Å; D3-I45 PolarHBondContact O-N 3.27Å
4	H	82.4	Confident	79.6	Confident	92 Å²	92	70.3 Å²	70.3	43%	0.426	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-72.6	152.4	-178.5	-67.1	15	0	0	0	110.7	Q6 M7	H4-Q6 PolarHBondContact O-N 2.79Å; H4-Q6 VanDerWaalsContact O-N 3.12Å; H4-M7 PolarHBondContact O-N 3.3Å
5	G	80.2	Confident	79.9	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-54.6	-30.8	178.6	0	0	0	0	0	113.3	M7 L8 L9 P41 K43	G5-M7 VanDerWaalsContact C-N 3.32Å; G5-M7 PolarHBondContact O-N 2.79Å; G5-L8 PolarHBondContact O-N 2.9Å; G5-L8 VanDerWaalsContact O-N 3.15Å; G5-L9 PolarHBondContact O-N 3.09Å; G5-L9 VanDerWaalsContact O-N 3.15Å; G5-P41 PolarHBondContact N-O 3.02Å; G5-P41 VanDerWaalsContact N-O 3.1Å; G5-K43 PolarHBondContact N-O 2.96Å
6	Q	82.8	Confident	79.8	Confident	64 Å²	64	74.5 Å²	74.5	30%	0.299	38%	0.38	S	S	.	.	H	α-helix	trans	-55.8	-41.9	175.2	-168.8	60.9	43.2	0	0	113.1	H4 L8 L9 D10 P41	H4-Q6 PolarHBondContact O-N 2.79Å; H4-Q6 VanDerWaalsContact O-N 3.12Å; Q6-L8 PolarHBondContact O-N 3.44Å; Q6-L9 WeakPolarHBondContact O-CB 3.37Å; Q6-L9 PolarHBondContact O-N 2.9Å; Q6-L9 VanDerWaalsContact O-N 3.1Å; Q6-D10 PolarHBondContact NE2-OD1 2.78Å; Q6-D10 VanDerWaalsContact O-CG 3.28Å; Q6-D10 PolarHBondContact O-N 2.84Å; Q6-P41 HydrophobicContact CB-CB 4.07Å; Q6-P41 PolarHBondContact N-O 3.39Å
7	M	83.1	Confident	79.7	Confident	122 Å²	122	79.6 Å²	79.6	60%	0.601	40%	0.402	S	S	*	.	H	α-helix	trans	-62.2	-30.1	-179.9	-69	-63.9	-59.6	0	0	112.8	D3 H4 G5 A11	D3-M7 HydrophobicContact CB-CB 4.42Å; D3-M7 HydrophobicContact CB-CG 4.39Å; H4-M7 PolarHBondContact O-N 3.3Å; G5-M7 VanDerWaalsContact C-N 3.32Å; G5-M7 PolarHBondContact O-N 2.79Å; M7-A11 WeakPolarHBondContact O-CB 3.09Å; M7-A11 PolarHBondContact O-N 2.9Å
8	L	83.7	Confident	79.4	Confident	53 Å²	53	75.3 Å²	75.3	28%	0.277	38%	0.38	S	S	.	.	H	α-helix	trans	-79.6	-36.6	176.8	-176.9	61.5	0	0	0	111.5	G5 Q6 V12 L26 L39 I45 L57	G5-L8 PolarHBondContact O-N 2.9Å; G5-L8 VanDerWaalsContact O-N 3.15Å; Q6-L8 PolarHBondContact O-N 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.85Å; L8-L26 HydrophobicContact CD2-CD1 4.13Å; L8-L26 HydrophobicContact CG-CD1 3.81Å; L8-L39 HydrophobicContact CD2-CD2 4.19Å; L8-I45 HydrophobicContact CB-CD1 3.87Å; L8-I45 HydrophobicContact CD2-CD1 4.24Å; L8-L57 HydrophobicContact CD2-CD1 3.83Å
9	L	84.7	Confident	78.7	Confident	13 Å²	13	76.7 Å²	76.7	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-49.6	171.4	-76.5	161.7	0	0	0	111	G5 Q6 A11 V12 F13 L26 L39 P41	G5-L9 PolarHBondContact O-N 3.09Å; G5-L9 VanDerWaalsContact O-N 3.15Å; Q6-L9 WeakPolarHBondContact O-CB 3.37Å; Q6-L9 PolarHBondContact O-N 2.9Å; Q6-L9 VanDerWaalsContact O-N 3.1Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.81Å; L9-V12 PolarHBondContact O-N 2.87Å; L9-F13 VanDerWaalsContact C-CD2 3.5Å; L9-F13 HydrophobicContact CB-CD2 4.23Å; L9-F13 HydrophobicContact CB-CE2 3.74Å; L9-F13 HydrophobicContact CB-CZ 4.26Å; L9-F13 HydrophobicContact CD2-CE2 4.34Å; L9-F13 HydrophobicContact CD2-CZ 4.01Å; L9-F13 WeakPolarHBondContact O-CD2 3.49Å; L9-F13 WeakPolarHBondContact O-CG 3.38Å; L9-F13 PolarHBondContact O-N 3.14Å; L9-L26 HydrophobicContact CD2-CB 4.08Å; L9-L26 HydrophobicContact CD2-CD1 3.88Å; L9-L26 HydrophobicContact CD2-CG 3.71Å; L9-L26 HydrophobicContact CG-CD1 4.14Å; L9-L26 HydrophobicContact CG-CG 4.48Å; L9-L39 HydrophobicContact CG-CD2 4.41Å; L9-P41 HydrophobicContact CD1-CB 4.09Å
10	D	84	Confident	78.2	Confident	54 Å²	54	75.3 Å²	75.3	29%	0.289	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-35.8	179.3	-65.5	-25.3	0	0	0	112.5	Q6 K14	Q6-D10 PolarHBondContact NE2-OD1 2.78Å; Q6-D10 VanDerWaalsContact O-CG 3.28Å; Q6-D10 PolarHBondContact O-N 2.84Å; D10-K14 VanDerWaalsContact O-CB 3.28Å; D10-K14 WeakPolarHBondContact O-CB 3.41Å; D10-K14 PolarHBondContact O-N 2.63Å
11	A	85.2	Confident	78.1	Confident	57 Å²	57	76.8 Å²	76.8	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-41.9	173.5	0	0	0	0	0	112.3	M7 L9 H15	M7-A11 WeakPolarHBondContact O-CB 3.09Å; M7-A11 PolarHBondContact O-N 2.9Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.81Å; A11-H15 WeakPolarHBondContact O-CB 3.46Å; A11-H15 PolarHBondContact O-N 3.08Å
12	V	84.6	Confident	79	Confident	34 Å²	34	73.2 Å²	73.2	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-69.1	-43.6	175.7	172.3	0	0	0	0	111.1	L8 L9 K14 H15 L16 L26 F59	L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.85Å; L9-V12 PolarHBondContact O-N 2.87Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.07Å; V12-H15 PolarHBondContact O-N 3.21Å; V12-H15 VanDerWaalsContact O-N 3.16Å; V12-L16 HydrophobicContact CG1-CD1 3.79Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 3.1Å; V12-L26 HydrophobicContact CG2-CD1 4.28Å; V12-L26 HydrophobicContact CG2-CD2 4.43Å; V12-F59 HydrophobicContact CG1-CD2 3.69Å; V12-F59 HydrophobicContact CG1-CE2 3.96Å; V12-F59 HydrophobicContact CG1-CG 4.42Å
13	F	84.1	Confident	79.7	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-37.3	175.9	-62.7	-39.1	0	0	0	112.6	L9 E17 L18 R21 F24 F59	L9-F13 VanDerWaalsContact C-CD2 3.5Å; L9-F13 HydrophobicContact CB-CD2 4.23Å; L9-F13 HydrophobicContact CB-CE2 3.74Å; L9-F13 HydrophobicContact CB-CZ 4.26Å; L9-F13 HydrophobicContact CD2-CE2 4.34Å; L9-F13 HydrophobicContact CD2-CZ 4.01Å; L9-F13 WeakPolarHBondContact O-CD2 3.49Å; L9-F13 WeakPolarHBondContact O-CG 3.38Å; L9-F13 PolarHBondContact O-N 3.14Å; F13-E17 PolarHBondContact O-N 3.23Å; F13-E17 VanDerWaalsContact O-N 3.12Å; F13-L18 HydrophobicContact CD1-CD1 4.02Å; F13-L18 PolarHBondContact O-N 3.02Å; F13-R21 HydrophobicContact CB-CG 3.98Å; F13-R21 HydrophobicContact CD1-CB 4.34Å; F13-R21 HydrophobicContact CD1-CG 4.13Å; F13-R21 HydrophobicContact CD2-CB 3.86Å; F13-R21 HydrophobicContact CD2-CG 3.71Å; F13-R21 HydrophobicContact CE1-CB 4.25Å; F13-R21 HydrophobicContact CE2-CB 3.74Å; F13-R21 HydrophobicContact CE2-CG 4.14Å; F13-R21 HydrophobicContact CG-CB 4.16Å; F13-R21 HydrophobicContact CG-CG 3.7Å; F13-R21 HydrophobicContact CZ-CB 3.95Å; F13-R21 WeakPolarHBondContact CZ-O 3.4Å; F13-F24 HydrophobicContact CE1-CB 3.97Å; F13-F59 HydrophobicContact CD1-CE2 4.16Å; F13-F59 HydrophobicContact CD1-CZ 4.49Å; F13-F59 AromaticContact CE1-CE2 3.81Å; F13-F59 HydrophobicContact CE1-CE2 3.81Å; F13-F59 HydrophobicContact CE1-CZ 4.25Å
14	K	83.3	Confident	80	Confident	168 Å²	168	68.8 Å²	68.8	73%	0.73	34%	0.34	S	S	*	.	H	α-helix	trans	-69.7	-37.4	174	-174	177.7	179.3	-177.9	0	112.3	D10 V12	D10-K14 VanDerWaalsContact O-CB 3.28Å; D10-K14 WeakPolarHBondContact O-CB 3.41Å; D10-K14 PolarHBondContact O-N 2.63Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.07Å
15	H	83.9	Confident	80.2	Confident	158 Å²	158	64.7 Å²	64.7	73%	0.731	32%	0.323	S	S	*	.	H	α-helix	trans	-69.8	-33.4	177.5	-179.8	53.9	0	0	0	113	A11 V12	A11-H15 WeakPolarHBondContact O-CB 3.46Å; A11-H15 PolarHBondContact O-N 3.08Å; V12-H15 PolarHBondContact O-N 3.21Å; V12-H15 VanDerWaalsContact O-N 3.16Å
16	L	79.4	Confident	80.3	Confident	50 Å²	50	65.1 Å²	65.1	26%	0.262	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.3	178	-62.4	177	0	0	0	113.7	V12 L18 F59 T76	V12-L16 HydrophobicContact CG1-CD1 3.79Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 3.1Å; L16-L18 HydrophobicContact CB-CD1 3.84Å; L16-L18 HydrophobicContact CB-CG 4.01Å; L16-L18 HydrophobicContact CD1-CD1 4.07Å; L16-L18 PolarHBondContact O-N 3.24Å; L16-L18 VanDerWaalsContact O-N 3.16Å; L16-F59 HydrophobicContact CD1-CD1 3.95Å; L16-F59 HydrophobicContact CD1-CD2 4.36Å; L16-F59 HydrophobicContact CD1-CE1 3.8Å; L16-F59 HydrophobicContact CD1-CE2 4.21Å; L16-F59 HydrophobicContact CD1-CG 4.22Å; L16-F59 HydrophobicContact CD1-CZ 3.93Å; L16-T76 WeakPolarHBondContact O-CG2 3.37Å
17	E	77.4	Confident	80.3	Confident	161 Å²	161	62.9 Å²	62.9	75%	0.752	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.5	-179	-57.3	-168.5	158.8	0	0	114.8	F13	F13-E17 PolarHBondContact O-N 3.23Å; F13-E17 VanDerWaalsContact O-N 3.12Å
18	L	74.4	Confident	80	Confident	2 Å²	2	58 Å²	58	1%	0.01	29%	0.291	C	S	.	.			trans	-84.4	122.4	-177.6	-73.4	164.4	0	0	0	112.3	F13 L16 R21 F24 F59 T76 Q80	F13-L18 HydrophobicContact CD1-CD1 4.02Å; F13-L18 PolarHBondContact O-N 3.02Å; L16-L18 HydrophobicContact CB-CD1 3.84Å; L16-L18 HydrophobicContact CB-CG 4.01Å; L16-L18 HydrophobicContact CD1-CD1 4.07Å; L16-L18 PolarHBondContact O-N 3.24Å; L16-L18 VanDerWaalsContact O-N 3.16Å; L18-R21 PolarHBondContact O-NE 3.48Å; L18-R21 VanDerWaalsContact O-NE 3.13Å; L18-F24 HydrophobicContact CD1-CD2 4.45Å; L18-F24 HydrophobicContact CD2-CE2 4.15Å; L18-F59 HydrophobicContact CD1-CE1 4.13Å; L18-F59 HydrophobicContact CD1-CE2 4.41Å; L18-F59 HydrophobicContact CD1-CZ 3.52Å; L18-T76 HydrophobicContact CD2-CG2 3.61Å; L18-T76 HydrophobicContact CG-CG2 4.18Å; L18-Q80 HydrophobicContact CD2-CG 4.32Å
19	T	65.8	Low	78.9	Confident	102 Å²	102	57.8 Å²	57.8	63%	0.626	30%	0.297	S	S	*	.	S	Bend	trans	-85.7	-42.8	168.8	71.7	0	0	0	0	112	R21 E74	T19-R21 PolarHBondContact O-N 2.87Å; T19-R21 VanDerWaalsContact O-N 3.07Å; T19-E74 VanDerWaalsContact CB-OE1 3.27Å; T19-E74 WeakPolarHBondContact CB-OE1 3.47Å; T19-E74 VanDerWaalsContact CG2-OE1 3.31Å; T19-E74 WeakPolarHBondContact CG2-OE1 3.28Å; T19-E74 PolarHBondContact N-OE1 3.01Å; T19-E74 VanDerWaalsContact N-OE1 3.12Å; T19-E74 PolarHBondContact OG1-OE1 2.66Å; T19-E74 PolarHBondContact OG1-OE2 3.43Å
20	E	69.8	Low	77.6	Confident	49 Å²	49	59.6 Å²	59.6	23%	0.229	31%	0.307	C	S	.	.			trans	-85.6	73.8	179	-68.5	-163.4	93.4	0	0	113.5	D22 Y23 E74 R77	E20-D22 PolarHBondContact O-N 3.49Å; E20-Y23 HydrophobicContact CB-CD2 4.35Å; E20-E74 PolarHBondContact N-OE2 3.15Å; E20-R77 IonicContact OE1-CZ 3.12Å; E20-R77 IonicContact OE1-NH1 3.17Å; E20-R77 PolarHBondContact OE1-NH1 3.49Å; E20-R77 WeakPolarHBondContact OE2-CD 3.42Å; E20-R77 IonicContact OE2-CZ 2.77Å; E20-R77 IonicContact OE2-NE 3.15Å; E20-R77 IonicContact OE2-NH1 3.37Å; E20-R77 PolarHBondContact OE2-NH1 3.17Å
21	R	76.3	Confident	76	Confident	106 Å²	106	64.7 Å²	64.7	40%	0.4	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-72.2	-28.8	-169.3	-64.7	173	-171.1	174.3	8	115.2	F13 L18 T19 Y23 F24	F13-R21 HydrophobicContact CB-CG 3.98Å; F13-R21 HydrophobicContact CD1-CB 4.34Å; F13-R21 HydrophobicContact CD1-CG 4.13Å; F13-R21 HydrophobicContact CD2-CB 3.86Å; F13-R21 HydrophobicContact CD2-CG 3.71Å; F13-R21 HydrophobicContact CE1-CB 4.25Å; F13-R21 HydrophobicContact CE2-CB 3.74Å; F13-R21 HydrophobicContact CE2-CG 4.14Å; F13-R21 HydrophobicContact CG-CB 4.16Å; F13-R21 HydrophobicContact CG-CG 3.7Å; F13-R21 HydrophobicContact CZ-CB 3.95Å; F13-R21 WeakPolarHBondContact CZ-O 3.4Å; L18-R21 PolarHBondContact O-NE 3.48Å; L18-R21 VanDerWaalsContact O-NE 3.13Å; T19-R21 PolarHBondContact O-N 2.87Å; T19-R21 VanDerWaalsContact O-N 3.07Å; R21-Y23 VanDerWaalsContact C-N 3.27Å; R21-Y23 PolarHBondContact O-N 3.31Å; R21-F24 PolarHBondContact O-N 3.17Å
22	D	74.4	Confident	74.4	Confident	88 Å²	88	65.2 Å²	65.2	47%	0.471	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-72.8	-16.6	-163.7	-54.4	-58.6	0	0	0	114.5	E20 F24 F63 F262 P268	E20-D22 PolarHBondContact O-N 3.49Å; D22-F24 VanDerWaalsContact C-N 3.3Å; D22-F24 PolarHBondContact O-N 2.81Å; D22-F63 WeakPolarHBondContact O-CD2 3.17Å; D22-F262 HydrophobicContact CB-CE2 3.8Å; D22-F262 HydrophobicContact CB-CZ 4.46Å; D22-P268 HydrophobicContact CB-CG 4.05Å; D22-P268 VanDerWaalsContact CG-CG 3.48Å; D22-P268 WeakPolarHBondContact OD2-CG 3.37Å
23	Y	77.9	Confident	72.6	Confident	52 Å²	52	65.5 Å²	65.5	20%	0.204	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-77.8	-12.1	178	-64.8	-83.1	0	0	0	114	E20 R21 K62 F63 V65 R77 F262	E20-Y23 HydrophobicContact CB-CD2 4.35Å; R21-Y23 VanDerWaalsContact C-N 3.27Å; R21-Y23 PolarHBondContact O-N 3.31Å; Y23-K62 PolarHBondContact O-N 3.41Å; Y23-F63 HydrophobicContact CD1-CB 4.39Å; Y23-F63 PolarHBondContact O-N 2.91Å; Y23-V65 HydrophobicContact CD1-CG2 4.12Å; Y23-V65 HydrophobicContact CE1-CG2 3.7Å; Y23-R77 PolarHBondContact OH-NH2 3.4Å; Y23-F262 AromaticContact CD1-CE1 3.65Å; Y23-F262 HydrophobicContact CD1-CE1 3.65Å; Y23-F262 AromaticContact CD1-CZ 3.48Å; Y23-F262 HydrophobicContact CD1-CZ 3.48Å; Y23-F262 VanDerWaalsContact CD1-CZ 3.48Å; Y23-F262 HydrophobicContact CD2-CZ 4.43Å; Y23-F262 AromaticContact CE1-CE1 3.4Å; Y23-F262 HydrophobicContact CE1-CE1 3.4Å; Y23-F262 AromaticContact CE1-CZ 3.32Å; Y23-F262 HydrophobicContact CE1-CZ 3.32Å; Y23-F262 HydrophobicContact CE2-CZ 4.3Å; Y23-F262 HydrophobicContact CG-CZ 4.03Å; Y23-F262 AromaticContact CZ-CZ 3.74Å
24	F	82.8	Confident	71	Confident	11 Å²	11	73.2 Å²	73.2	5%	0.048	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157	-167.8	-60.5	-82.8	0	0	0	112.2	F13 L18 R21 D22 F59 V61 R77 Q80 Y81	F13-F24 HydrophobicContact CE1-CB 3.97Å; L18-F24 HydrophobicContact CD1-CD2 4.45Å; L18-F24 HydrophobicContact CD2-CE2 4.15Å; R21-F24 PolarHBondContact O-N 3.17Å; D22-F24 VanDerWaalsContact C-N 3.3Å; D22-F24 PolarHBondContact O-N 2.81Å; F24-F59 HydrophobicContact CB-CE1 4.28Å; F24-F59 HydrophobicContact CB-CE2 3.76Å; F24-F59 HydrophobicContact CB-CZ 3.44Å; F24-F59 VanDerWaalsContact CB-CZ 3.44Å; F24-F59 AromaticContact CD1-CE1 3.57Å; F24-F59 HydrophobicContact CD1-CE1 3.57Å; F24-F59 AromaticContact CD1-CZ 3.57Å; F24-F59 HydrophobicContact CD1-CZ 3.57Å; F24-F59 HydrophobicContact CD2-CZ 4.31Å; F24-F59 HydrophobicContact CE1-CE1 4.1Å; F24-F59 HydrophobicContact CE1-CZ 4.38Å; F24-F59 HydrophobicContact CG-CE1 4.04Å; F24-F59 HydrophobicContact CG-CE2 4.34Å; F24-F59 AromaticContact CG-CZ 3.52Å; F24-F59 HydrophobicContact CG-CZ 3.52Å; F24-V61 HydrophobicContact CD1-CG2 4.01Å; F24-V61 HydrophobicContact CE1-CG2 3.71Å; F24-R77 HydrophobicContact CE2-CG 4.2Å; F24-R77 HydrophobicContact CZ-CG 4.12Å; F24-Q80 HydrophobicContact CE1-CB 3.57Å; F24-Q80 HydrophobicContact CE1-CG 4.46Å; F24-Q80 HydrophobicContact CZ-CB 3.75Å; F24-Q80 HydrophobicContact CZ-CG 4.5Å; F24-Y81 HydrophobicContact CE1-CD2 4.12Å; F24-Y81 HydrophobicContact CE1-CE2 4.22Å; F24-Y81 AromaticContact CZ-CD2 3.97Å; F24-Y81 HydrophobicContact CZ-CD2 3.97Å; F24-Y81 AromaticContact CZ-CE2 3.99Å; F24-Y81 HydrophobicContact CZ-CE2 3.99Å
25	G	85.7	Confident	69.7	Low	7 Å²	7	67.4 Å²	67.4	7%	0.072	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	166.3	176.8	0	0	0	0	0	112.9	R60	G25-R60 PolarHBondContact N-O 2.86Å; G25-R60 PolarHBondContact O-N 3.34Å
26	L	84.3	Confident	68.6	Low	8 Å²	8	63.7 Å²	63.7	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.5	171.2	-75.1	170.1	0	0	0	110	L8 L9 V12 L39 L57 F59	L8-L26 HydrophobicContact CD2-CD1 4.13Å; L8-L26 HydrophobicContact CG-CD1 3.81Å; L9-L26 HydrophobicContact CD2-CB 4.08Å; L9-L26 HydrophobicContact CD2-CD1 3.88Å; L9-L26 HydrophobicContact CD2-CG 3.71Å; L9-L26 HydrophobicContact CG-CD1 4.14Å; L9-L26 HydrophobicContact CG-CG 4.48Å; V12-L26 HydrophobicContact CG2-CD1 4.28Å; V12-L26 HydrophobicContact CG2-CD2 4.43Å; L26-L39 HydrophobicContact CB-CB 4.05Å; L26-L39 HydrophobicContact CB-CD2 4.04Å; L26-L39 HydrophobicContact CD1-CD2 3.96Å; L26-L39 WeakPolarHBondContact O-CB 3.34Å; L26-L39 PolarHBondContact O-N 2.87Å; L26-L57 HydrophobicContact CB-CD2 4.44Å; L26-F59 HydrophobicContact CD2-CB 4.38Å; L26-F59 HydrophobicContact CD2-CD2 4.3Å
27	H	81.2	Confident	68.3	Low	17 Å²	17	64.9 Å²	64.9	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.8	-177.1	-168.9	-76.2	0	0	0	110.3	P36 R37 W38 L57 S58 R60	H27-P36 WeakPolarHBondContact CE1-CB 3.42Å; H27-P36 WeakPolarHBondContact NE2-CA 3.45Å; H27-P36 WeakPolarHBondContact NE2-CB 3.34Å; H27-R37 PolarHBondContact CE1-N 2.85Å; H27-R37 VanDerWaalsContact CE1-N 3.29Å; H27-R37 PolarHBondContact NE2-N 3.4Å; H27-R37 PolarHBondContact NE2-O 3.19Å; H27-W38 HydrophobicContact CB-CE3 4.49Å; H27-W38 HydrophobicContact CB-CZ3 4.38Å; H27-L57 WeakPolarHBondContact O-CA 3.34Å; H27-S58 VanDerWaalsContact CB-O 3.28Å; H27-S58 WeakPolarHBondContact CB-O 3.04Å; H27-S58 PolarHBondContact N-O 3.33Å; H27-S58 PolarHBondContact O-N 3.02Å; H27-R60 HydrophobicContact CB-CG 4.22Å
28	L	77.3	Confident	68.5	Low	19 Å²	19	59.7 Å²	59.7	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.4	-179.9	-65.5	154.8	0	0	0	109.8	R37 L39 L49 L57	L28-R37 WeakPolarHBondContact CB-O 3.04Å; L28-R37 HydrophobicContact CD1-CB 4.47Å; L28-R37 PolarHBondContact N-O 2.94Å; L28-L39 HydrophobicContact CD1-CD1 4.45Å; L28-L39 HydrophobicContact CD2-CD1 4.46Å; L28-L49 HydrophobicContact CD2-CD2 3.4Å; L28-L49 VanDerWaalsContact CD2-CD2 3.4Å; L28-L49 HydrophobicContact CD2-CG 4.28Å; L28-L57 HydrophobicContact CD2-CD2 3.54Å; L28-L57 HydrophobicContact CG-CD2 4.13Å
29	A	61.6	Low	68.9	Low	49 Å²	49	60.1 Å²	60.1	41%	0.405	34%	0.335	S	S	.	.			trans	-76.6	123	161.9	0	0	0	0	0	108.3	N56	A29-N56 HydrophobicContact CB-CB 4.16Å; A29-N56 WeakPolarHBondContact CB-O 3.16Å; A29-N56 PolarHBondContact N-O 2.8Å
30	D	57.1	Low	69.5	Low	52 Å²	52	56.2 Å²	56.2	28%	0.278	31%	0.311	S	S	.	.			trans	-126.1	111.2	177.2	-169.6	22.8	0	0	0	108.1	G32 S33 K50	D30-G32 PolarHBondContact O-N 2.8Å; D30-S33 PolarHBondContact O-N 2.93Å; D30-K50 VanDerWaalsContact OD1-CD 3.32Å; D30-K50 WeakPolarHBondContact OD1-CD 3.33Å; D30-K50 WeakPolarHBondContact OD1-CE 3.41Å; D30-K50 IonicContact OD1-NZ 2.63Å; D30-K50 PolarHBondContact OD1-NZ 3.04Å; D30-K50 WeakPolarHBondContact OD2-CE 3.31Å; D30-K50 IonicContact OD2-NZ 2.88Å; D30-K50 PolarHBondContact OD2-NZ 2.99Å
31	D	50.5	Low	70.1	Confident	161 Å²	161	55.5 Å²	55.5	86%	0.861	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	38.1	-165.1	-59.5	-38.5	0	0	0	115.2
32	G	51.2	Low	70.2	Confident	68 Å²	68	54.2 Å²	54.2	70%	0.701	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	174.3	25.5	-179	0	0	0	0	0	115.5	D30	D30-G32 PolarHBondContact O-N 2.8Å
33	S	47.5	Very low	70.6	Confident	40 Å²	40	55 Å²	55	28%	0.28	31%	0.31	S	S	.	.			trans	-138.1	122.5	164.9	84.1	0	0	0	0	112.5	D30 T35 R37	D30-S33 PolarHBondContact O-N 2.93Å; S33-T35 PolarHBondContact O-N 2.86Å; S33-R37 PolarHBondContact OG-NH2 3.44Å
34	D	49.4	Very low	70.8	Confident	169 Å²	169	54 Å²	54	90%	0.904	31%	0.311	S	S	*	.	S	Bend	trans	-52.1	2	177.6	-97.4	-14.4	0	0	0	116.7
35	T	55.3	Low	70.7	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.282	31%	0.313	S	S	.	.	S	Bend	trans	-121.7	100.9	-179.5	42.5	0	0	0	0	109.7	S33 R37	S33-T35 PolarHBondContact O-N 2.86Å; T35-R37 WeakPolarHBondContact O-CG 3.33Å
36	P	62	Low	70.3	Confident	81 Å²	81	63 Å²	63	53%	0.526	34%	0.343	S	S	.	.			trans	-53.1	140.3	170.6	17.6	-28.1	0	0	0	110.5	H27	H27-P36 WeakPolarHBondContact CE1-CB 3.42Å; H27-P36 WeakPolarHBondContact NE2-CA 3.45Å; H27-P36 WeakPolarHBondContact NE2-CB 3.34Å
37	R	72.4	Confident	69.8	Low	75 Å²	75	70.4 Å²	70.4	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.2	-177.3	-53.7	-167.2	-165.6	159.8	21.2	114.2	H27 L28 S33 T35	H27-R37 PolarHBondContact CE1-N 2.85Å; H27-R37 VanDerWaalsContact CE1-N 3.29Å; H27-R37 PolarHBondContact NE2-N 3.4Å; H27-R37 PolarHBondContact NE2-O 3.19Å; L28-R37 WeakPolarHBondContact CB-O 3.04Å; L28-R37 HydrophobicContact CD1-CB 4.47Å; L28-R37 PolarHBondContact N-O 2.94Å; S33-R37 PolarHBondContact OG-NH2 3.44Å; T35-R37 WeakPolarHBondContact O-CG 3.33Å
38	W	81.4	Confident	69.5	Low	51 Å²	51	71.7 Å²	71.7	19%	0.193	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	140.2	166.2	-62.2	107	0	0	0	112.7	H27 D40 R60 V61 K62	H27-W38 HydrophobicContact CB-CE3 4.49Å; H27-W38 HydrophobicContact CB-CZ3 4.38Å; W38-D40 PolarHBondContact O-N 2.83Å; W38-R60 HydrophobicContact CH2-CB 3.75Å; W38-R60 HydrophobicContact CZ3-CB 3.99Å; W38-V61 WeakPolarHBondContact CH2-O 3.39Å; W38-K62 HydrophobicContact CD2-CD 4.3Å; W38-K62 HydrophobicContact CD2-CG 4.28Å; W38-K62 HydrophobicContact CE3-CD 4.49Å; W38-K62 HydrophobicContact CE3-CG 4.5Å; W38-K62 HydrophobicContact CH2-CB 3.75Å; W38-K62 HydrophobicContact CH2-CG 4.11Å; W38-K62 HydrophobicContact CZ2-CB 3.99Å; W38-K62 HydrophobicContact CZ2-CG 3.87Å; W38-K62 HydrophobicContact CZ3-CB 4.07Å; W38-K62 HydrophobicContact CZ3-CG 4.42Å
39	L	82.5	Confident	69.4	Low	12 Å²	12	72.5 Å²	72.5	6%	0.063	39%	0.385	C	S	.	.			trans	-64.1	127.2	166.9	-176.1	70.8	0	0	0	109.7	L8 L9 L26 L28 P41 Q48	L8-L39 HydrophobicContact CD2-CD2 4.19Å; L9-L39 HydrophobicContact CG-CD2 4.41Å; L26-L39 HydrophobicContact CB-CB 4.05Å; L26-L39 HydrophobicContact CB-CD2 4.04Å; L26-L39 HydrophobicContact CD1-CD2 3.96Å; L26-L39 WeakPolarHBondContact O-CB 3.34Å; L26-L39 PolarHBondContact O-N 2.87Å; L28-L39 HydrophobicContact CD1-CD1 4.45Å; L28-L39 HydrophobicContact CD2-CD1 4.46Å; L39-P41 WeakPolarHBondContact O-CD 3.47Å; L39-Q48 HydrophobicContact CD1-CB 4.41Å
40	D	79.9	Confident	69.6	Low	20 Å²	20	76.2 Å²	76.2	11%	0.107	39%	0.392	C	S	.	.			trans	-84.6	114.3	176	-164.9	-48.7	0	0	0	109.1	W38 N42 K43 Q48 K254	W38-D40 PolarHBondContact O-N 2.83Å; D40-N42 PolarHBondContact O-N 3.09Å; D40-N42 VanDerWaalsContact O-N 3.14Å; D40-N42 PolarHBondContact OD1-N 3.07Å; D40-K43 HydrophobicContact CB-CB 4.26Å; D40-K43 HydrophobicContact CB-CD 3.97Å; D40-K43 HydrophobicContact CB-CG 4.28Å; D40-K43 PolarHBondContact O-N 3.12Å; D40-K43 WeakPolarHBondContact OD2-CE 3.34Å; D40-K43 IonicContact OD2-NZ 3.62Å; D40-K43 PolarHBondContact OD2-NZ 2.8Å; D40-Q48 PolarHBondContact O-NE2 3.24Å; D40-K254 IonicContact OD2-NZ 3.72Å
41	P	81.2	Confident	69.4	Low	33 Å²	33	86.3 Å²	86.3	21%	0.214	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.3	-175.1	22.2	-32.2	0	0	0	112.4	G5 Q6 L9 L39 K43	G5-P41 PolarHBondContact N-O 3.02Å; G5-P41 VanDerWaalsContact N-O 3.1Å; Q6-P41 HydrophobicContact CB-CB 4.07Å; Q6-P41 PolarHBondContact N-O 3.39Å; L9-P41 HydrophobicContact CD1-CB 4.09Å; L39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-K43 PolarHBondContact O-N 2.64Å
42	N	79.6	Confident	69.8	Low	79 Å²	79	81 Å²	81	42%	0.422	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.3	-172.4	-59.9	-46.4	0	0	0	114.1	D40 P271	D40-N42 PolarHBondContact O-N 3.09Å; D40-N42 VanDerWaalsContact O-N 3.14Å; D40-N42 PolarHBondContact OD1-N 3.07Å; N42-P271 WeakPolarHBondContact ND2-CB 3.49Å; N42-P271 WeakPolarHBondContact OD1-CB 3.41Å; N42-P271 WeakPolarHBondContact OD1-CG 3.43Å
43	K	82.1	Confident	70	Confident	104 Å²	104	82.9 Å²	82.9	45%	0.452	41%	0.412	S	S	.	.	S	Bend	trans	-110.5	141.9	-177.8	-71.2	173.9	-173.4	138.4	0	111.1	G5 D40 P41 I45 Q48	G5-K43 PolarHBondContact N-O 2.96Å; D40-K43 HydrophobicContact CB-CB 4.26Å; D40-K43 HydrophobicContact CB-CD 3.97Å; D40-K43 HydrophobicContact CB-CG 4.28Å; D40-K43 PolarHBondContact O-N 3.12Å; D40-K43 WeakPolarHBondContact OD2-CE 3.34Å; D40-K43 IonicContact OD2-NZ 3.62Å; D40-K43 PolarHBondContact OD2-NZ 2.8Å; P41-K43 PolarHBondContact O-N 2.64Å; K43-I45 PolarHBondContact O-N 2.88Å; K43-Q48 HydrophobicContact CB-CG 4.01Å; K43-Q48 PolarHBondContact O-NE2 3.09Å
44	P	81.6	Confident	70.6	Confident	33 Å²	33	86.1 Å²	86.1	21%	0.214	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-54.6	133.4	171.8	-26.5	34.6	0	0	0	111.5	D3 R46 K47	D3-P44 CarbonylContact O-C 3.56Å; D3-P44 WeakPolarHBondContact O-CA 3.43Å; P44-R46 PolarHBondContact O-N 2.75Å; P44-K47 HydrophobicContact CB-CG 4.32Å; P44-K47 HydrophobicContact CG-CD 4.33Å; P44-K47 WeakPolarHBondContact O-CB 3.37Å; P44-K47 PolarHBondContact O-N 3.4Å
45	I	80.2	Confident	71.5	Confident	18 Å²	18	81 Å²	81	9%	0.092	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.6	-178.2	-67.6	161.1	0	0	0	111	D3 L8 K43 K47 Q48 L49	D3-I45 WeakPolarHBondContact O-CG1 3.34Å; D3-I45 PolarHBondContact O-N 3.27Å; L8-I45 HydrophobicContact CB-CD1 3.87Å; L8-I45 HydrophobicContact CD2-CD1 4.24Å; K43-I45 PolarHBondContact O-N 2.88Å; I45-K47 PolarHBondContact O-N 3.02Å; I45-K47 VanDerWaalsContact O-N 3.15Å; I45-Q48 PolarHBondContact O-N 3.16Å; I45-L49 HydrophobicContact CG2-CD1 3.46Å; I45-L49 VanDerWaalsContact CG2-CD1 3.46Å; I45-L49 HydrophobicContact CG2-CG 4.19Å; I45-L49 PolarHBondContact O-N 2.91Å
46	R	77.2	Confident	72.4	Confident	189 Å²	189	84 Å²	84	71%	0.713	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-58.1	-22.1	173.9	-170.8	-179.2	78.6	176.5	3	115	K1 P44	K1-R46 VanDerWaalsContact O-CB 3.31Å; K1-R46 WeakPolarHBondContact O-CB 3.46Å; K1-R46 PolarHBondContact O-N 3.27Å; P44-R46 PolarHBondContact O-N 2.75Å
47	K	75.1	Confident	73.2	Confident	163 Å²	163	82.9 Å²	82.9	71%	0.709	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-90.9	-4.5	176.8	-67	-170.2	-179.6	-177.2	0	112.9	P44 I45	P44-K47 HydrophobicContact CB-CG 4.32Å; P44-K47 HydrophobicContact CG-CD 4.33Å; P44-K47 WeakPolarHBondContact O-CB 3.37Å; P44-K47 PolarHBondContact O-N 3.4Å; I45-K47 PolarHBondContact O-N 3.02Å; I45-K47 VanDerWaalsContact O-N 3.15Å
48	Q	75.4	Confident	73.7	Confident	44 Å²	44	81.7 Å²	81.7	21%	0.206	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-39.4	-173.6	-56.3	-166	74.9	0	0	112.3	L39 D40 K43 I45	L39-Q48 HydrophobicContact CD1-CB 4.41Å; D40-Q48 PolarHBondContact O-NE2 3.24Å; K43-Q48 HydrophobicContact CB-CG 4.01Å; K43-Q48 PolarHBondContact O-NE2 3.09Å; I45-Q48 PolarHBondContact O-N 3.16Å
49	L	74	Confident	73.8	Confident	36 Å²	36	81.5 Å²	81.5	19%	0.188	41%	0.41	C	S	.	.	S	Bend	trans	-81.5	138.4	170.9	-66.1	171.3	0	0	0	110.7	L28 I45 H55	L28-L49 HydrophobicContact CD2-CD2 3.4Å; L28-L49 VanDerWaalsContact CD2-CD2 3.4Å; L28-L49 HydrophobicContact CD2-CG 4.28Å; I45-L49 HydrophobicContact CG2-CD1 3.46Å; I45-L49 VanDerWaalsContact CG2-CD1 3.46Å; I45-L49 HydrophobicContact CG2-CG 4.19Å; I45-L49 PolarHBondContact O-N 2.91Å; L49-H55 HydrophobicContact CD1-CB 4.4Å; L49-H55 HydrophobicContact CD2-CB 4.01Å
50	K	65.8	Low	73.9	Confident	127 Å²	127	83.1 Å²	83.1	55%	0.552	42%	0.416	S	S	*	.			trans	-66.5	170.9	170.9	-71.3	-179.8	-177.5	161.3	0	110.8	D30 G52 H55	D30-K50 VanDerWaalsContact OD1-CD 3.32Å; D30-K50 WeakPolarHBondContact OD1-CD 3.33Å; D30-K50 WeakPolarHBondContact OD1-CE 3.41Å; D30-K50 IonicContact OD1-NZ 2.63Å; D30-K50 PolarHBondContact OD1-NZ 3.04Å; D30-K50 WeakPolarHBondContact OD2-CE 3.31Å; D30-K50 IonicContact OD2-NZ 2.88Å; D30-K50 PolarHBondContact OD2-NZ 2.99Å; K50-G52 PolarHBondContact O-N 3.37Å; K50-H55 PolarHBondContact O-CE1 3.48Å; K50-H55 PolarHBondContact O-NE2 3.16Å
51	R	54.1	Low	74.1	Confident	264 Å²	264	82.5 Å²	82.5	100%	0.996	41%	0.412	S	S	*	.	S	Bend	trans	-84.5	97.6	171.8	-73.4	-175.6	175	-166	-0.6	110.2
52	G	58.4	Low	74.1	Confident	49 Å²	49	82.5 Å²	82.5	51%	0.505	41%	0.409	S	S	.	.			trans	168.6	120.5	172.1	0	0	0	0	0	111.4	K50 H55	K50-G52 PolarHBondContact O-N 3.37Å; G52-H55 PolarHBondContact O-CE1 3.03Å; G52-H55 PolarHBondContact O-ND1 3.03Å; G52-H55 PolarHBondContact O-NE2 2.9Å
53	S	54.2	Low	74.3	Confident	108 Å²	108	79.5 Å²	79.5	76%	0.755	39%	0.392	S	S	*	.	S	Bend	trans	-101.6	145.4	-179.3	-170.4	0	0	0	0	109.5
54	P	60	Low	74.3	Confident	108 Å²	108	75.6 Å²	75.6	70%	0.701	38%	0.375	S	S	*	.			cis	-75.5	163.6	3.1	31.8	-36	0	0	0	114.4
55	H	69.9	Low	74.1	Confident	60 Å²	60	74.5 Å²	74.5	28%	0.278	37%	0.368	S	S	.	.			trans	-117.4	119.1	173.6	-67	-53.5	0	0	0	109.6	L49 K50 G52	L49-H55 HydrophobicContact CD1-CB 4.4Å; L49-H55 HydrophobicContact CD2-CB 4.01Å; K50-H55 PolarHBondContact O-CE1 3.48Å; K50-H55 PolarHBondContact O-NE2 3.16Å; G52-H55 PolarHBondContact O-CE1 3.03Å; G52-H55 PolarHBondContact O-ND1 3.03Å; G52-H55 PolarHBondContact O-NE2 2.9Å
56	N	73.4	Confident	73.6	Confident	109 Å²	109	77.5 Å²	77.5	58%	0.583	39%	0.387	S	S	*	.			trans	-90	122.4	178.8	-67.9	-16.4	0	0	0	110.6	A29	A29-N56 HydrophobicContact CB-CB 4.16Å; A29-N56 WeakPolarHBondContact CB-O 3.16Å; A29-N56 PolarHBondContact N-O 2.8Å
57	L	79.6	Confident	73.2	Confident	58 Å²	58	71 Å²	71	30%	0.304	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.1	178.2	-75.3	156.1	0	0	0	107.9	L8 L26 H27 L28	L8-L57 HydrophobicContact CD2-CD1 3.83Å; L26-L57 HydrophobicContact CB-CD2 4.44Å; H27-L57 WeakPolarHBondContact O-CA 3.34Å; L28-L57 HydrophobicContact CD2-CD2 3.54Å; L28-L57 HydrophobicContact CG-CD2 4.13Å
58	S	81.9	Confident	72.7	Confident	51 Å²	51	63.3 Å²	63.3	36%	0.357	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.5	175.2	-48.4	0	0	0	0	109.9	H27	H27-S58 VanDerWaalsContact CB-O 3.28Å; H27-S58 WeakPolarHBondContact CB-O 3.04Å; H27-S58 PolarHBondContact N-O 3.33Å; H27-S58 PolarHBondContact O-N 3.02Å
59	F	84	Confident	72.2	Confident	47 Å²	47	63.9 Å²	63.9	21%	0.206	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.3	165.1	-172	-108.4	0	0	0	109	V12 F13 L16 L18 F24 L26 Q80	V12-F59 HydrophobicContact CG1-CD2 3.69Å; V12-F59 HydrophobicContact CG1-CE2 3.96Å; V12-F59 HydrophobicContact CG1-CG 4.42Å; F13-F59 HydrophobicContact CD1-CE2 4.16Å; F13-F59 HydrophobicContact CD1-CZ 4.49Å; F13-F59 AromaticContact CE1-CE2 3.81Å; F13-F59 HydrophobicContact CE1-CE2 3.81Å; F13-F59 HydrophobicContact CE1-CZ 4.25Å; L16-F59 HydrophobicContact CD1-CD1 3.95Å; L16-F59 HydrophobicContact CD1-CD2 4.36Å; L16-F59 HydrophobicContact CD1-CE1 3.8Å; L16-F59 HydrophobicContact CD1-CE2 4.21Å; L16-F59 HydrophobicContact CD1-CG 4.22Å; L16-F59 HydrophobicContact CD1-CZ 3.93Å; L18-F59 HydrophobicContact CD1-CE1 4.13Å; L18-F59 HydrophobicContact CD1-CE2 4.41Å; L18-F59 HydrophobicContact CD1-CZ 3.52Å; F24-F59 HydrophobicContact CB-CE1 4.28Å; F24-F59 HydrophobicContact CB-CE2 3.76Å; F24-F59 HydrophobicContact CB-CZ 3.44Å; F24-F59 VanDerWaalsContact CB-CZ 3.44Å; F24-F59 AromaticContact CD1-CE1 3.57Å; F24-F59 HydrophobicContact CD1-CE1 3.57Å; F24-F59 AromaticContact CD1-CZ 3.57Å; F24-F59 HydrophobicContact CD1-CZ 3.57Å; F24-F59 HydrophobicContact CD2-CZ 4.31Å; F24-F59 HydrophobicContact CE1-CE1 4.1Å; F24-F59 HydrophobicContact CE1-CZ 4.38Å; F24-F59 HydrophobicContact CG-CE1 4.04Å; F24-F59 HydrophobicContact CG-CE2 4.34Å; F24-F59 AromaticContact CG-CZ 3.52Å; F24-F59 HydrophobicContact CG-CZ 3.52Å; L26-F59 HydrophobicContact CD2-CB 4.38Å; L26-F59 HydrophobicContact CD2-CD2 4.3Å; F59-Q80 HydrophobicContact CE1-CG 4.45Å
60	R	83.7	Confident	71.7	Confident	46 Å²	46	68.4 Å²	68.4	17%	0.174	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.8	-179.5	-70.6	-168.5	170.5	-109.6	-0.3	112.6	G25 H27 W38 K62 Q84 D88	G25-R60 PolarHBondContact N-O 2.86Å; G25-R60 PolarHBondContact O-N 3.34Å; H27-R60 HydrophobicContact CB-CG 4.22Å; W38-R60 HydrophobicContact CH2-CB 3.75Å; W38-R60 HydrophobicContact CZ3-CB 3.99Å; R60-K62 PolarHBondContact O-N 3.32Å; R60-Q84 VanDerWaalsContact NH1-NE2 3.1Å; R60-D88 IonicContact CZ-OD1 2.8Å; R60-D88 IonicContact NH1-OD1 2.75Å; R60-D88 PolarHBondContact NH1-OD1 3.21Å; R60-D88 IonicContact NH1-OD2 3.62Å
61	V	84.5	Confident	71.6	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.9	164.5	-178.9	0	0	0	0	108.6	F24 W38 F64 Y81 Q84	F24-V61 HydrophobicContact CD1-CG2 4.01Å; F24-V61 HydrophobicContact CE1-CG2 3.71Å; W38-V61 WeakPolarHBondContact CH2-O 3.39Å; V61-F64 HydrophobicContact CB-CE1 4.06Å; V61-F64 HydrophobicContact CB-CE2 4.01Å; V61-F64 HydrophobicContact CB-CZ 3.73Å; V61-F64 HydrophobicContact CG1-CD1 4.02Å; V61-F64 HydrophobicContact CG1-CD2 3.93Å; V61-F64 HydrophobicContact CG1-CE1 3.93Å; V61-F64 HydrophobicContact CG1-CE2 3.85Å; V61-F64 HydrophobicContact CG1-CG 4.03Å; V61-F64 HydrophobicContact CG1-CZ 3.86Å; V61-Y81 HydrophobicContact CB-CE2 4.49Å; V61-Y81 HydrophobicContact CG1-CD2 4.38Å; V61-Y81 HydrophobicContact CG1-CE1 4.25Å; V61-Y81 HydrophobicContact CG1-CE2 3.75Å; V61-Y81 HydrophobicContact CG2-CD2 3.69Å; V61-Y81 HydrophobicContact CG2-CE2 3.85Å; V61-Y81 HydrophobicContact CG2-CG 4.2Å; V61-Q84 HydrophobicContact CB-CB 4.47Å; V61-Q84 HydrophobicContact CB-CG 4Å; V61-Q84 HydrophobicContact CG2-CB 3.75Å; V61-Q84 HydrophobicContact CG2-CG 3.84Å
62	K	81.3	Confident	71.4	Confident	34 Å²	34	54.2 Å²	54.2	15%	0.148	31%	0.307	C	S	.	.			trans	-97.9	-38.6	178.8	-175.4	178	178.6	-171.3	0	112.3	Y23 W38 R60 E258	Y23-K62 PolarHBondContact O-N 3.41Å; W38-K62 HydrophobicContact CD2-CD 4.3Å; W38-K62 HydrophobicContact CD2-CG 4.28Å; W38-K62 HydrophobicContact CE3-CD 4.49Å; W38-K62 HydrophobicContact CE3-CG 4.5Å; W38-K62 HydrophobicContact CH2-CB 3.75Å; W38-K62 HydrophobicContact CH2-CG 4.11Å; W38-K62 HydrophobicContact CZ2-CB 3.99Å; W38-K62 HydrophobicContact CZ2-CG 3.87Å; W38-K62 HydrophobicContact CZ3-CB 4.07Å; W38-K62 HydrophobicContact CZ3-CG 4.42Å; R60-K62 PolarHBondContact O-N 3.32Å; K62-E258 VanDerWaalsContact CE-OE2 3.3Å; K62-E258 WeakPolarHBondContact CE-OE2 3.49Å; K62-E258 IonicContact NZ-OE1 3.51Å; K62-E258 PolarHBondContact NZ-OE1 3.31Å; K62-E258 IonicContact NZ-OE2 2.68Å; K62-E258 PolarHBondContact NZ-OE2 3.19Å
63	F	83.3	Confident	71.3	Confident	15 Å²	15	60.7 Å²	60.7	7%	0.066	32%	0.324	C	S	.	.	S	Bend	trans	-124.7	111.7	-176.1	-59.6	-63.7	0	0	0	109.9	D22 Y23 Y81 E258 H259 F262 F263	D22-F63 WeakPolarHBondContact O-CD2 3.17Å; Y23-F63 HydrophobicContact CD1-CB 4.39Å; Y23-F63 PolarHBondContact O-N 2.91Å; F63-Y81 PolarHBondContact O-OH 2.99Å; F63-E258 HydrophobicContact CE1-CB 4.17Å; F63-E258 HydrophobicContact CZ-CB 4.14Å; F63-H259 AromaticContact CD1-CD2 3.9Å; F63-H259 AromaticContact CD1-NE2 3.89Å; F63-F262 HydrophobicContact CB-CD1 3.56Å; F63-F262 HydrophobicContact CB-CE1 3.37Å; F63-F262 HydrophobicContact CB-CG 4.37Å; F63-F262 HydrophobicContact CB-CZ 4.06Å; F63-F262 HydrophobicContact CD1-CB 4.21Å; F63-F262 AromaticContact CD1-CD1 3.94Å; F63-F262 HydrophobicContact CD1-CD1 3.94Å; F63-F262 HydrophobicContact CD1-CG 4.09Å; F63-F262 HydrophobicContact CD2-CB 4.41Å; F63-F262 AromaticContact CD2-CD1 3.7Å; F63-F262 HydrophobicContact CD2-CD1 3.7Å; F63-F262 AromaticContact CD2-CD2 3.67Å; F63-F262 HydrophobicContact CD2-CD2 3.67Å; F63-F262 AromaticContact CD2-CE1 3.76Å; F63-F262 HydrophobicContact CD2-CE1 3.76Å; F63-F262 AromaticContact CD2-CE2 3.73Å; F63-F262 HydrophobicContact CD2-CE2 3.73Å; F63-F262 AromaticContact CD2-CG 3.64Å; F63-F262 HydrophobicContact CD2-CG 3.64Å; F63-F262 AromaticContact CD2-CZ 3.77Å; F63-F262 HydrophobicContact CD2-CZ 3.77Å; F63-F262 HydrophobicContact CE1-CB 3.99Å; F63-F262 HydrophobicContact CE1-CG 4.22Å; F63-F262 HydrophobicContact CE2-CB 4.2Å; F63-F262 HydrophobicContact CE2-CD1 4.31Å; F63-F262 AromaticContact CE2-CD2 3.66Å; F63-F262 HydrophobicContact CE2-CD2 3.66Å; F63-F262 HydrophobicContact CE2-CE2 4.07Å; F63-F262 AromaticContact CE2-CG 3.79Å; F63-F262 HydrophobicContact CE2-CG 3.79Å; F63-F262 HydrophobicContact CG-CB 4.41Å; F63-F262 AromaticContact CG-CD1 3.47Å; F63-F262 HydrophobicContact CG-CD1 3.47Å; F63-F262 VanDerWaalsContact CG-CD1 3.47Å; F63-F262 HydrophobicContact CG-CD2 4.29Å; F63-F262 AromaticContact CG-CE1 3.69Å; F63-F262 HydrophobicContact CG-CE1 3.69Å; F63-F262 HydrophobicContact CG-CE2 4.47Å; F63-F262 AromaticContact CG-CG 3.79Å; F63-F262 HydrophobicContact CG-CG 3.79Å; F63-F262 HydrophobicContact CG-CZ 4.18Å; F63-F262 HydrophobicContact CZ-CB 3.97Å; F63-F262 HydrophobicContact CZ-CD2 4.27Å; F63-F262 HydrophobicContact CZ-CG 4.06Å; F63-F263 HydrophobicContact CB-CE2 3.92Å; F63-F263 HydrophobicContact CB-CZ 3.74Å; F63-F263 HydrophobicContact CD1-CE2 4.18Å; F63-F263 HydrophobicContact CG-CE2 4.43Å
64	F	81.9	Confident	71.5	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.096	29%	0.294	C	S	.	.			trans	-91.1	127.9	-177.9	-71.6	-98.2	0	0	0	112.3	V61 Y81 Q84 I85 Y172 G173 S193 F263	V61-F64 HydrophobicContact CB-CE1 4.06Å; V61-F64 HydrophobicContact CB-CE2 4.01Å; V61-F64 HydrophobicContact CB-CZ 3.73Å; V61-F64 HydrophobicContact CG1-CD1 4.02Å; V61-F64 HydrophobicContact CG1-CD2 3.93Å; V61-F64 HydrophobicContact CG1-CE1 3.93Å; V61-F64 HydrophobicContact CG1-CE2 3.85Å; V61-F64 HydrophobicContact CG1-CG 4.03Å; V61-F64 HydrophobicContact CG1-CZ 3.86Å; F64-Y81 HydrophobicContact CD1-CE1 4.34Å; F64-Q84 HydrophobicContact CE1-CG 4.33Å; F64-Q84 HydrophobicContact CZ-CG 3.93Å; F64-I85 HydrophobicContact CD1-CD1 4.39Å; F64-I85 HydrophobicContact CE1-CD1 3.72Å; F64-Y172 HydrophobicContact CD1-CE2 4.47Å; F64-G173 VanDerWaalsContact CD2-CA 3.45Å; F64-S193 WeakPolarHBondContact O-CB 3.41Å; F64-S193 PolarHBondContact O-OG 3.13Å; F64-F263 VanDerWaalsContact O-CZ 3.28Å; F64-F263 WeakPolarHBondContact O-CZ 3.42Å
65	V	77.3	Confident	71.6	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.067	29%	0.287	C	S	.	.			trans	-81.3	138.2	176.4	-172.2	0	0	0	0	110.7	Y23 D67 K70 L71 Y172	Y23-V65 HydrophobicContact CD1-CG2 4.12Å; Y23-V65 HydrophobicContact CE1-CG2 3.7Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.49Å; V65-K70 HydrophobicContact CG1-CB 4.12Å; V65-K70 HydrophobicContact CG1-CD 4.08Å; V65-L71 HydrophobicContact CB-CD2 4.2Å; V65-L71 HydrophobicContact CG2-CD2 3.98Å; V65-Y172 PolarHBondContact O-OH 2.93Å
66	T	71.4	Confident	71.1	Confident	80 Å²	80	57.4 Å²	57.4	49%	0.491	29%	0.285	S	S	.	.	S	Bend	trans	-68.6	-26.9	179	39.6	0	0	0	0	114.5	S193	T66-S193 WeakPolarHBondContact CG2-OG 3.47Å
67	D	67.9	Low	70.9	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	26%	0.258	S	S	.	.			trans	-121.8	106.3	-179.1	176.4	16.5	0	0	0	110	V65 S69 K70	V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.49Å; D67-S69 PolarHBondContact O-N 3.3Å; D67-S69 VanDerWaalsContact O-N 3.11Å; D67-S69 WeakPolarHBondContact OD1-CA 3.46Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 3.13Å; D67-S69 PolarHBondContact OD1-OG 3.42Å; D67-K70 HydrophobicContact CB-CD 4.21Å; D67-K70 HydrophobicContact CB-CG 4.19Å; D67-K70 WeakPolarHBondContact O-CB 3.37Å; D67-K70 PolarHBondContact O-N 3.29Å
68	P	65.6	Low	70.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.2	-19.7	173.8	-26.7	36.5	0	0	0	113.9	K70 L71 F160 L163	P68-K70 PolarHBondContact O-N 3.35Å; P68-L71 HydrophobicContact CB-CD1 4.31Å; P68-L71 WeakPolarHBondContact O-CA 3.35Å; P68-L71 VanDerWaalsContact O-CB 3.23Å; P68-L71 WeakPolarHBondContact O-CB 3.37Å; P68-L71 WeakPolarHBondContact O-CG 3.15Å; P68-L71 PolarHBondContact O-N 2.75Å; P68-F160 HydrophobicContact CB-CE2 4.12Å; P68-L163 HydrophobicContact CB-CB 4.1Å; P68-L163 HydrophobicContact CG-CB 4.19Å
69	S	64.1	Low	70.5	Confident	56 Å²	56	52.3 Å²	52.3	39%	0.392	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67.5	-18	175.5	-36.1	0	0	0	0	112.7	D67 L71 Q72	D67-S69 PolarHBondContact O-N 3.3Å; D67-S69 VanDerWaalsContact O-N 3.11Å; D67-S69 WeakPolarHBondContact OD1-CA 3.46Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 3.13Å; D67-S69 PolarHBondContact OD1-OG 3.42Å; S69-L71 VanDerWaalsContact C-N 3.27Å; S69-Q72 WeakPolarHBondContact O-CB 3.47Å; S69-Q72 WeakPolarHBondContact O-CG 3.3Å
70	K	64.2	Low	70.4	Confident	132 Å²	132	51.6 Å²	51.6	57%	0.574	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-80.7	-7.3	170.5	-60.2	178.4	-176.2	178.8	0	113	V65 D67 P68 Q72	V65-K70 HydrophobicContact CG1-CB 4.12Å; V65-K70 HydrophobicContact CG1-CD 4.08Å; D67-K70 HydrophobicContact CB-CD 4.21Å; D67-K70 HydrophobicContact CB-CG 4.19Å; D67-K70 WeakPolarHBondContact O-CB 3.37Å; D67-K70 PolarHBondContact O-N 3.29Å; P68-K70 PolarHBondContact O-N 3.35Å; K70-Q72 VanDerWaalsContact C-N 3.27Å
71	L	62	Low	70.4	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-92.6	18.7	172.8	-43.4	175.5	0	0	0	111.4	V65 P68 S69 R78 Y81 L163	V65-L71 HydrophobicContact CB-CD2 4.2Å; V65-L71 HydrophobicContact CG2-CD2 3.98Å; P68-L71 HydrophobicContact CB-CD1 4.31Å; P68-L71 WeakPolarHBondContact O-CA 3.35Å; P68-L71 VanDerWaalsContact O-CB 3.23Å; P68-L71 WeakPolarHBondContact O-CB 3.37Å; P68-L71 WeakPolarHBondContact O-CG 3.15Å; P68-L71 PolarHBondContact O-N 2.75Å; S69-L71 VanDerWaalsContact C-N 3.27Å; L71-R78 PolarHBondContact O-NH2 2.77Å; L71-Y81 HydrophobicContact CD1-CD1 3.59Å; L71-Y81 HydrophobicContact CD1-CE1 3.88Å; L71-Y81 HydrophobicContact CD1-CG 4.03Å; L71-Y81 HydrophobicContact CD2-CE1 4.15Å; L71-L163 HydrophobicContact CD1-CD1 4.29Å
72	Q	51.8	Low	70.4	Confident	92 Å²	92	49.1 Å²	49.1	43%	0.43	23%	0.234	S	C	.	.			trans	-78.5	-22.7	-173.3	-75.8	-69.6	-5.9	0	0	113.8	S69 K70 E74 R78	S69-Q72 WeakPolarHBondContact O-CB 3.47Å; S69-Q72 WeakPolarHBondContact O-CG 3.3Å; K70-Q72 VanDerWaalsContact C-N 3.27Å; Q72-E74 PolarHBondContact O-N 3.22Å; Q72-R78 PolarHBondContact O-NH2 3.19Å; Q72-R78 VanDerWaalsContact OE1-NH2 3.16Å
73	E	55	Low	70.6	Confident	184 Å²	184	50.1 Å²	50.1	86%	0.86	24%	0.241	S	C	*	.	S	Bend	trans	-79.2	-14.5	-171.9	-60.9	-166.7	163.6	0	0	115.1
74	E	57.7	Low	70.7	Confident	26 Å²	26	50.1 Å²	50.1	12%	0.121	24%	0.241	C	C	.	.			trans	-141.4	122.9	177.8	-168.7	174.1	-132.1	0	0	113.3	T19 E20 Q72 T76 R77 R78	T19-E74 VanDerWaalsContact CB-OE1 3.27Å; T19-E74 WeakPolarHBondContact CB-OE1 3.47Å; T19-E74 VanDerWaalsContact CG2-OE1 3.31Å; T19-E74 WeakPolarHBondContact CG2-OE1 3.28Å; T19-E74 PolarHBondContact N-OE1 3.01Å; T19-E74 VanDerWaalsContact N-OE1 3.12Å; T19-E74 PolarHBondContact OG1-OE1 2.66Å; T19-E74 PolarHBondContact OG1-OE2 3.43Å; E20-E74 PolarHBondContact N-OE2 3.15Å; Q72-E74 PolarHBondContact O-N 3.22Å; E74-T76 PolarHBondContact O-N 3.12Å; E74-R77 HydrophobicContact CB-CB 4.22Å; E74-R77 PolarHBondContact O-N 2.86Å; E74-R78 PolarHBondContact O-N 2.83Å
75	Y	62.3	Low	71	Confident	142 Å²	142	49.1 Å²	49.1	56%	0.557	24%	0.237	S	C	*	.	H	α-helix	trans	-57.6	-47.8	177	179.6	-94.9	0	0	0	111.8	R77 R78 Y79 A156	Y75-R77 VanDerWaalsContact C-N 3.32Å; Y75-R77 PolarHBondContact O-N 2.74Å; Y75-R78 PolarHBondContact O-N 2.78Å; Y75-Y79 PolarHBondContact O-N 2.68Å; Y75-Y79 VanDerWaalsContact O-N 3.11Å; Y75-A156 HydrophobicContact CD2-CB 4.49Å; Y75-A156 HydrophobicContact CE2-CB 4.21Å
76	T	60	Low	71.4	Confident	39 Å²	39	50.8 Å²	50.8	24%	0.239	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-41.5	-178.4	-40.8	0	0	0	0	112.4	L16 L18 E74 Q80	L16-T76 WeakPolarHBondContact O-CG2 3.37Å; L18-T76 HydrophobicContact CD2-CG2 3.61Å; L18-T76 HydrophobicContact CG-CG2 4.18Å; E74-T76 PolarHBondContact O-N 3.12Å; T76-Q80 VanDerWaalsContact O-CG 3.29Å; T76-Q80 WeakPolarHBondContact O-CG 3.44Å; T76-Q80 PolarHBondContact O-N 2.87Å; T76-Q80 VanDerWaalsContact O-N 3.07Å
77	R	69	Low	72.1	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-42.8	179.6	179.4	178.6	175.1	-160.4	0.3	112.5	E20 Y23 F24 E74 Y75 Q80 Y81	E20-R77 IonicContact OE1-CZ 3.12Å; E20-R77 IonicContact OE1-NH1 3.17Å; E20-R77 PolarHBondContact OE1-NH1 3.49Å; E20-R77 WeakPolarHBondContact OE2-CD 3.42Å; E20-R77 IonicContact OE2-CZ 2.77Å; E20-R77 IonicContact OE2-NE 3.15Å; E20-R77 IonicContact OE2-NH1 3.37Å; E20-R77 PolarHBondContact OE2-NH1 3.17Å; Y23-R77 PolarHBondContact OH-NH2 3.4Å; F24-R77 HydrophobicContact CE2-CG 4.2Å; F24-R77 HydrophobicContact CZ-CG 4.12Å; E74-R77 HydrophobicContact CB-CB 4.22Å; E74-R77 PolarHBondContact O-N 2.86Å; Y75-R77 VanDerWaalsContact C-N 3.32Å; Y75-R77 PolarHBondContact O-N 2.74Å; R77-Q80 PolarHBondContact O-N 3.29Å; R77-Y81 HydrophobicContact CG-CD2 4.36Å; R77-Y81 HydrophobicContact CG-CE2 4.33Å; R77-Y81 WeakPolarHBondContact O-CD2 3.38Å; R77-Y81 PolarHBondContact O-N 3.02Å; R77-Y81 VanDerWaalsContact O-N 3.07Å
78	R	75.3	Confident	72.9	Confident	20 Å²	20	49.3 Å²	49.3	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-47	177.9	-171.7	-179.5	-51.8	136.9	24.7	111.2	L71 Q72 E74 Y75 Q80 Y81 F82 L163	L71-R78 PolarHBondContact O-NH2 2.77Å; Q72-R78 PolarHBondContact O-NH2 3.19Å; Q72-R78 VanDerWaalsContact OE1-NH2 3.16Å; E74-R78 PolarHBondContact O-N 2.83Å; Y75-R78 PolarHBondContact O-N 2.78Å; R78-Q80 PolarHBondContact O-N 3.36Å; R78-Y81 WeakPolarHBondContact O-CB 3.5Å; R78-Y81 PolarHBondContact O-N 2.84Å; R78-Y81 VanDerWaalsContact O-N 3.16Å; R78-F82 PolarHBondContact O-N 3.24Å; R78-L163 HydrophobicContact CG-CD1 3.74Å
79	Y	79.2	Confident	73.9	Confident	87 Å²	87	49.7 Å²	49.7	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-43.9	178.1	-174.7	-114.6	0	0	0	112.2	Y75 Y81 F82 L83 E159	Y75-Y79 PolarHBondContact O-N 2.68Å; Y75-Y79 VanDerWaalsContact O-N 3.11Å; Y79-Y81 VanDerWaalsContact C-N 3.33Å; Y79-Y81 PolarHBondContact O-N 3.29Å; Y79-F82 HydrophobicContact CD2-CD1 4.15Å; Y79-F82 HydrophobicContact CE2-CD1 4.17Å; Y79-F82 HydrophobicContact CE2-CE1 4.41Å; Y79-F82 WeakPolarHBondContact O-CB 3.29Å; Y79-F82 PolarHBondContact O-N 2.9Å; Y79-L83 HydrophobicContact CD1-CD1 4.01Å; Y79-L83 HydrophobicContact CD1-CG 4.49Å; Y79-L83 HydrophobicContact CE1-CD1 3.57Å; Y79-L83 HydrophobicContact CE1-CG 4.18Å; Y79-L83 HydrophobicContact CE2-CD2 4.4Å; Y79-L83 HydrophobicContact CE2-CG 4.4Å; Y79-L83 WeakPolarHBondContact O-CG 3.2Å; Y79-L83 PolarHBondContact O-N 2.64Å; Y79-E159 WeakPolarHBondContact CD2-OE1 3.3Å
80	Q	81	Confident	75	Confident	32 Å²	32	49.3 Å²	49.3	15%	0.15	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-33	175.8	-66	-62	-32.2	0	0	113.2	L18 F24 F59 T76 R77 R78 Q84	L18-Q80 HydrophobicContact CD2-CG 4.32Å; F24-Q80 HydrophobicContact CE1-CB 3.57Å; F24-Q80 HydrophobicContact CE1-CG 4.46Å; F24-Q80 HydrophobicContact CZ-CB 3.75Å; F24-Q80 HydrophobicContact CZ-CG 4.5Å; F59-Q80 HydrophobicContact CE1-CG 4.45Å; T76-Q80 VanDerWaalsContact O-CG 3.29Å; T76-Q80 WeakPolarHBondContact O-CG 3.44Å; T76-Q80 PolarHBondContact O-N 2.87Å; T76-Q80 VanDerWaalsContact O-N 3.07Å; R77-Q80 PolarHBondContact O-N 3.29Å; R78-Q80 PolarHBondContact O-N 3.36Å; Q80-Q84 WeakPolarHBondContact O-CB 3.41Å; Q80-Q84 PolarHBondContact O-N 2.76Å; Q80-Q84 VanDerWaalsContact O-N 3.08Å
81	Y	83.4	Confident	75.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-44.1	171.5	-95.2	-124	0	0	0	112	F24 V61 F63 F64 L71 R77 R78 Y79 Q84 I85	F24-Y81 HydrophobicContact CE1-CD2 4.12Å; F24-Y81 HydrophobicContact CE1-CE2 4.22Å; F24-Y81 AromaticContact CZ-CD2 3.97Å; F24-Y81 HydrophobicContact CZ-CD2 3.97Å; F24-Y81 AromaticContact CZ-CE2 3.99Å; F24-Y81 HydrophobicContact CZ-CE2 3.99Å; V61-Y81 HydrophobicContact CB-CE2 4.49Å; V61-Y81 HydrophobicContact CG1-CD2 4.38Å; V61-Y81 HydrophobicContact CG1-CE1 4.25Å; V61-Y81 HydrophobicContact CG1-CE2 3.75Å; V61-Y81 HydrophobicContact CG2-CD2 3.69Å; V61-Y81 HydrophobicContact CG2-CE2 3.85Å; V61-Y81 HydrophobicContact CG2-CG 4.2Å; F63-Y81 PolarHBondContact O-OH 2.99Å; F64-Y81 HydrophobicContact CD1-CE1 4.34Å; L71-Y81 HydrophobicContact CD1-CD1 3.59Å; L71-Y81 HydrophobicContact CD1-CE1 3.88Å; L71-Y81 HydrophobicContact CD1-CG 4.03Å; L71-Y81 HydrophobicContact CD2-CE1 4.15Å; R77-Y81 HydrophobicContact CG-CD2 4.36Å; R77-Y81 HydrophobicContact CG-CE2 4.33Å; R77-Y81 WeakPolarHBondContact O-CD2 3.38Å; R77-Y81 PolarHBondContact O-N 3.02Å; R77-Y81 VanDerWaalsContact O-N 3.07Å; R78-Y81 WeakPolarHBondContact O-CB 3.5Å; R78-Y81 PolarHBondContact O-N 2.84Å; R78-Y81 VanDerWaalsContact O-N 3.16Å; Y79-Y81 VanDerWaalsContact C-N 3.33Å; Y79-Y81 PolarHBondContact O-N 3.29Å; Y81-Q84 PolarHBondContact O-N 2.68Å; Y81-I85 WeakPolarHBondContact O-CG1 3.37Å; Y81-I85 PolarHBondContact O-N 2.89Å
82	F	84.3	Confident	76.6	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-50.5	175.5	162.7	-102.3	0	0	0	111	R78 Y79 Q84 I85 K86 A108 E159 Y162	R78-F82 PolarHBondContact O-N 3.24Å; Y79-F82 HydrophobicContact CD2-CD1 4.15Å; Y79-F82 HydrophobicContact CE2-CD1 4.17Å; Y79-F82 HydrophobicContact CE2-CE1 4.41Å; Y79-F82 WeakPolarHBondContact O-CB 3.29Å; Y79-F82 PolarHBondContact O-N 2.9Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.25Å; F82-I85 PolarHBondContact O-N 3.17Å; F82-K86 HydrophobicContact CE1-CD 4.48Å; F82-K86 HydrophobicContact CZ-CD 4.27Å; F82-K86 WeakPolarHBondContact O-CB 3.24Å; F82-K86 PolarHBondContact O-N 3Å; F82-A108 HydrophobicContact CE2-CB 3.99Å; F82-A108 HydrophobicContact CZ-CB 3.82Å; F82-E159 HydrophobicContact CB-CG 4.49Å; F82-E159 HydrophobicContact CD1-CG 4.36Å; F82-E159 HydrophobicContact CD2-CG 4.46Å; F82-E159 HydrophobicContact CG-CG 4.19Å; F82-Y162 AromaticContact CD2-CD1 3.55Å; F82-Y162 HydrophobicContact CD2-CD1 3.55Å; F82-Y162 HydrophobicContact CD2-CD2 4.06Å; F82-Y162 AromaticContact CD2-CE1 3.91Å; F82-Y162 HydrophobicContact CD2-CE1 3.91Å; F82-Y162 HydrophobicContact CD2-CE2 4.38Å; F82-Y162 AromaticContact CD2-CG 3.65Å; F82-Y162 HydrophobicContact CD2-CG 3.65Å; F82-Y162 HydrophobicContact CE2-CD1 4.03Å; F82-Y162 AromaticContact CE2-CD2 3.66Å; F82-Y162 HydrophobicContact CE2-CD2 3.66Å; F82-Y162 HydrophobicContact CE2-CE1 4.24Å; F82-Y162 AromaticContact CE2-CE2 3.9Å; F82-Y162 HydrophobicContact CE2-CE2 3.9Å; F82-Y162 AromaticContact CE2-CG 3.74Å; F82-Y162 HydrophobicContact CE2-CG 3.74Å
83	L	85.5	Confident	77.9	Confident	56 Å²	56	48.8 Å²	48.8	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-41.8	176.4	-68.9	-179.6	0	0	0	112.8	Y79 K86 Q87	Y79-L83 HydrophobicContact CD1-CD1 4.01Å; Y79-L83 HydrophobicContact CD1-CG 4.49Å; Y79-L83 HydrophobicContact CE1-CD1 3.57Å; Y79-L83 HydrophobicContact CE1-CG 4.18Å; Y79-L83 HydrophobicContact CE2-CD2 4.4Å; Y79-L83 HydrophobicContact CE2-CG 4.4Å; Y79-L83 WeakPolarHBondContact O-CG 3.2Å; Y79-L83 PolarHBondContact O-N 2.64Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-Q87 WeakPolarHBondContact O-CB 3.2Å; L83-Q87 PolarHBondContact O-N 3.41Å
84	Q	86	Confident	79.3	Confident	15 Å²	15	40.4 Å²	40.4	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.1	-178.6	62.2	59.8	0	0	112.1	R60 V61 F64 Q80 Y81 F82 Q87 D88	R60-Q84 VanDerWaalsContact NH1-NE2 3.1Å; V61-Q84 HydrophobicContact CB-CB 4.47Å; V61-Q84 HydrophobicContact CB-CG 4Å; V61-Q84 HydrophobicContact CG2-CB 3.75Å; V61-Q84 HydrophobicContact CG2-CG 3.84Å; F64-Q84 HydrophobicContact CE1-CG 4.33Å; F64-Q84 HydrophobicContact CZ-CG 3.93Å; Q80-Q84 WeakPolarHBondContact O-CB 3.41Å; Q80-Q84 PolarHBondContact O-N 2.76Å; Q80-Q84 VanDerWaalsContact O-N 3.08Å; Y81-Q84 PolarHBondContact O-N 2.68Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.25Å; Q84-Q87 PolarHBondContact O-N 2.89Å; Q84-D88 PolarHBondContact NE2-OD1 3.21Å; Q84-D88 VanDerWaalsContact NE2-OD1 3.15Å; Q84-D88 PolarHBondContact NE2-OD2 3.34Å; Q84-D88 PolarHBondContact O-N 2.66Å
85	I	87.1	Confident	80.5	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-40.8	179.3	-63.6	-63.4	0	0	0	110.9	F64 Y81 F82 Q87 D88 I89 L94 Y162 L163 A166 Y172	F64-I85 HydrophobicContact CD1-CD1 4.39Å; F64-I85 HydrophobicContact CE1-CD1 3.72Å; Y81-I85 WeakPolarHBondContact O-CG1 3.37Å; Y81-I85 PolarHBondContact O-N 2.89Å; F82-I85 PolarHBondContact O-N 3.17Å; I85-Q87 VanDerWaalsContact C-N 3.28Å; I85-Q87 PolarHBondContact O-N 3.21Å; I85-D88 PolarHBondContact O-N 2.76Å; I85-I89 HydrophobicContact CG2-CD1 3.92Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 WeakPolarHBondContact O-CG1 3.49Å; I85-I89 PolarHBondContact O-N 3.02Å; I85-L94 HydrophobicContact CD1-CD2 4.22Å; I85-L94 HydrophobicContact CG2-CD2 4.11Å; I85-Y162 HydrophobicContact CB-CE1 4.03Å; I85-Y162 HydrophobicContact CG2-CE1 3.63Å; I85-L163 HydrophobicContact CG1-CD2 4.18Å; I85-A166 HydrophobicContact CG2-CB 3.76Å; I85-Y172 HydrophobicContact CD1-CD2 3.76Å; I85-Y172 HydrophobicContact CD1-CE2 3.64Å; I85-Y172 HydrophobicContact CG1-CE2 4.11Å
86	K	86.9	Confident	81.5	Confident	45 Å²	45	36.4 Å²	36.4	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-54.3	-46.1	172.2	-168.5	-177.6	-174.7	-174.4	0	110.7	F82 L83 L90 E112 Y162	F82-K86 HydrophobicContact CE1-CD 4.48Å; F82-K86 HydrophobicContact CZ-CD 4.27Å; F82-K86 WeakPolarHBondContact O-CB 3.24Å; F82-K86 PolarHBondContact O-N 3Å; L83-K86 PolarHBondContact O-N 2.89Å; K86-L90 VanDerWaalsContact O-CB 3.31Å; K86-L90 WeakPolarHBondContact O-CB 3.21Å; K86-L90 PolarHBondContact O-N 3.31Å; K86-E112 IonicContact NZ-OE1 2.65Å; K86-E112 PolarHBondContact NZ-OE1 3Å; K86-E112 IonicContact NZ-OE2 3.24Å; K86-E112 PolarHBondContact NZ-OE2 3.32Å; K86-Y162 WeakPolarHBondContact CA-OH 3.5Å; K86-Y162 PolarHBondContact N-OH 3.11Å
87	Q	86.7	Confident	82.8	Confident	91 Å²	91	38.1 Å²	38.1	43%	0.425	20%	0.2	S	C	.	.	H	α-helix	trans	-67.7	-39.1	177.5	-170.6	64.3	38.7	0	0	113.4	L83 Q84 I85 L90 T91	L83-Q87 WeakPolarHBondContact O-CB 3.2Å; L83-Q87 PolarHBondContact O-N 3.41Å; Q84-Q87 PolarHBondContact O-N 2.89Å; I85-Q87 VanDerWaalsContact C-N 3.28Å; I85-Q87 PolarHBondContact O-N 3.21Å; Q87-L90 PolarHBondContact O-N 2.8Å; Q87-T91 HydrophobicContact CG-CG2 4.47Å; Q87-T91 WeakPolarHBondContact O-CB 3.39Å; Q87-T91 WeakPolarHBondContact O-CG2 3.31Å; Q87-T91 PolarHBondContact O-N 3.22Å; Q87-T91 PolarHBondContact O-OG1 3.08Å
88	D	84.7	Confident	83.6	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.059	22%	0.222	C	C	.	.	H	α-helix	trans	-74.4	-28.9	-178.7	-73.3	-28.7	0	0	0	112.5	R60 Q84 I85 T91 G92 R93 L94	R60-D88 IonicContact CZ-OD1 2.8Å; R60-D88 IonicContact NH1-OD1 2.75Å; R60-D88 PolarHBondContact NH1-OD1 3.21Å; R60-D88 IonicContact NH1-OD2 3.62Å; Q84-D88 PolarHBondContact NE2-OD1 3.21Å; Q84-D88 VanDerWaalsContact NE2-OD1 3.15Å; Q84-D88 PolarHBondContact NE2-OD2 3.34Å; Q84-D88 PolarHBondContact O-N 2.66Å; I85-D88 PolarHBondContact O-N 2.76Å; D88-T91 WeakPolarHBondContact CA-OG1 3.23Å; D88-T91 PolarHBondContact O-OG1 2.86Å; D88-G92 PolarHBondContact O-N 2.84Å; D88-R93 HydrophobicContact CB-CB 4.23Å; D88-R93 WeakPolarHBondContact O-CA 3.3Å; D88-R93 PolarHBondContact O-N 2.99Å; D88-R93 WeakPolarHBondContact OD1-CD 3.49Å; D88-L94 HydrophobicContact CB-CB 4.17Å; D88-L94 PolarHBondContact O-N 2.82Å
89	I	86.8	Confident	84.1	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.046	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-49.8	168.4	-68.5	173.5	0	0	0	110.4	I85 T91 G92 L94 C96 L104 I132 L169	I85-I89 HydrophobicContact CG2-CD1 3.92Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 WeakPolarHBondContact O-CG1 3.49Å; I85-I89 PolarHBondContact O-N 3.02Å; I89-T91 VanDerWaalsContact C-N 3.28Å; I89-T91 PolarHBondContact O-N 2.8Å; I89-G92 PolarHBondContact O-N 2.99Å; I89-L94 HydrophobicContact CD1-CD2 4.41Å; I89-L94 HydrophobicContact CG1-CB 4.13Å; I89-L94 HydrophobicContact CG1-CD2 3.99Å; I89-L94 HydrophobicContact CG1-CG 4.13Å; I89-C96 HydrophobicContact CG2-CB 4.39Å; I89-L104 HydrophobicContact CD1-CD1 3.65Å; I89-I132 HydrophobicContact CG2-CG2 3.81Å; I89-L169 HydrophobicContact CD1-CD1 4.34Å
90	L	85.6	Confident	84.5	Confident	48 Å²	48	45.1 Å²	45.1	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-36.9	179	176.9	57.8	0	0	0	113	K86 Q87 G92 C130 P133	K86-L90 VanDerWaalsContact O-CB 3.31Å; K86-L90 WeakPolarHBondContact O-CB 3.21Å; K86-L90 PolarHBondContact O-N 3.31Å; Q87-L90 PolarHBondContact O-N 2.8Å; L90-G92 VanDerWaalsContact C-N 3.27Å; L90-G92 PolarHBondContact O-N 3Å; L90-C130 HydrophobicContact CD1-CB 4.11Å; L90-C130 WeakPolarHBondContact CD1-O 3.49Å; L90-C130 VanDerWaalsContact CD1-SG 3.56Å; L90-P133 WeakPolarHBondContact O-CD 3.27Å
91	T	81.9	Confident	84.8	Confident	73 Å²	73	43.8 Å²	43.8	45%	0.448	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.9	176.9	53.8	0	0	0	0	114	Q87 D88 I89 R93	Q87-T91 HydrophobicContact CG-CG2 4.47Å; Q87-T91 WeakPolarHBondContact O-CB 3.39Å; Q87-T91 WeakPolarHBondContact O-CG2 3.31Å; Q87-T91 PolarHBondContact O-N 3.22Å; Q87-T91 PolarHBondContact O-OG1 3.08Å; D88-T91 WeakPolarHBondContact CA-OG1 3.23Å; D88-T91 PolarHBondContact O-OG1 2.86Å; I89-T91 VanDerWaalsContact C-N 3.28Å; I89-T91 PolarHBondContact O-N 2.8Å; T91-R93 PolarHBondContact O-N 2.89Å
92	G	78.4	Confident	85	Confident	33 Å²	33	43.8 Å²	43.8	34%	0.34	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	12.3	-176.7	0	0	0	0	0	114.4	D88 I89 L90	D88-G92 PolarHBondContact O-N 2.84Å; I89-G92 PolarHBondContact O-N 2.99Å; L90-G92 VanDerWaalsContact C-N 3.27Å; L90-G92 PolarHBondContact O-N 3Å
93	R	79.3	Confident	85.3	Confident	109 Å²	109	45.8 Å²	45.8	41%	0.411	25%	0.248	S	C	.	.	S	Bend	trans	-70.5	-38.3	175.3	179	175.4	174.4	155.8	0.4	111.1	D88 T91 P95	D88-R93 HydrophobicContact CB-CB 4.23Å; D88-R93 WeakPolarHBondContact O-CA 3.3Å; D88-R93 PolarHBondContact O-N 2.99Å; D88-R93 WeakPolarHBondContact OD1-CD 3.49Å; T91-R93 PolarHBondContact O-N 2.89Å; R93-P95 WeakPolarHBondContact O-CD 3.47Å
94	L	84.4	Confident	85.5	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.042	24%	0.235	C	C	.	.	S	Bend	trans	-105.7	99.3	172.8	-178.6	55.1	0	0	0	108.9	I85 D88 I89 C96 L169 L171	I85-L94 HydrophobicContact CD1-CD2 4.22Å; I85-L94 HydrophobicContact CG2-CD2 4.11Å; D88-L94 HydrophobicContact CB-CB 4.17Å; D88-L94 PolarHBondContact O-N 2.82Å; I89-L94 HydrophobicContact CD1-CD2 4.41Å; I89-L94 HydrophobicContact CG1-CB 4.13Å; I89-L94 HydrophobicContact CG1-CD2 3.99Å; I89-L94 HydrophobicContact CG1-CG 4.13Å; L94-C96 PolarHBondContact O-N 3.37Å; L94-L169 HydrophobicContact CD1-CB 4.03Å; L94-L169 HydrophobicContact CD1-CD1 4.37Å; L94-L169 HydrophobicContact CD2-CD1 3.84Å; L94-L169 HydrophobicContact CG-CD1 3.99Å; L94-L171 HydrophobicContact CD1-CB 3.86Å
95	P	82.9	Confident	85.7	Confident	59 Å²	59	42.7 Å²	42.7	38%	0.383	23%	0.233	S	C	.	.			trans	-61.6	132.1	175.2	-19.8	33.4	0	0	0	110.1	R93 L171	R93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-L171 HydrophobicContact CG-CD1 4.03Å
96	C	84.1	Confident	85.9	Confident	25 Å²	25	42.7 Å²	42.7	17%	0.169	23%	0.233	C	C	.	.			trans	-131.9	130.8	-179.7	-165.1	0	0	0	0	108.7	I89 L94 A101 L169	I89-C96 HydrophobicContact CG2-CB 4.39Å; L94-C96 PolarHBondContact O-N 3.37Å; C96-A101 HydrophobicContact CB-CB 4.23Å; C96-A101 PolarHBondContact SG-N 3.17Å; C96-L169 HydrophobicContact CB-CD1 4.36Å; C96-L169 HydrophobicContact CB-CD2 4.47Å
97	P	87.1	Confident	86	Confident	75 Å²	75	41.9 Å²	41.9	49%	0.487	23%	0.229	S	C	.	.			trans	-58.9	142.5	171	-22	33.2	0	0	0	110.8	N99 T100 A101	P97-N99 VanDerWaalsContact C-N 3.31Å; P97-N99 PolarHBondContact O-N 2.91Å; P97-T100 CarbonylContact O-C 3.56Å; P97-T100 PolarHBondContact O-N 2.72Å; P97-A101 PolarHBondContact O-N 2.98Å
98	H	84.9	Confident	86.1	Confident	101 Å²	101	37.5 Å²	37.5	47%	0.468	21%	0.209	S	C	.	.	H	α-helix	trans	-53.3	-44.4	-174.2	-60.6	104.8	0	0	0	113.2	T100 A101 A102 P136	H98-T100 PolarHBondContact O-N 3.16Å; H98-A101 CarbonylContact O-C 3.58Å; H98-A101 WeakPolarHBondContact O-CB 3.37Å; H98-A101 PolarHBondContact O-N 2.85Å; H98-A102 PolarHBondContact O-N 3.13Å; H98-P136 HydrophobicContact CB-CG 4.49Å
99	N	85.9	Confident	86.3	Confident	118 Å²	118	37 Å²	37	63%	0.631	21%	0.206	S	C	*	.	H	α-helix	trans	-61.7	-42.4	178.2	-52.7	21.7	0	0	0	111.7	P97 A102 L103	P97-N99 VanDerWaalsContact C-N 3.31Å; P97-N99 PolarHBondContact O-N 2.91Å; N99-A102 PolarHBondContact O-N 2.71Å; N99-L103 PolarHBondContact O-N 2.79Å; N99-L103 VanDerWaalsContact O-N 3.12Å
100	T	87.3	Confident	86.4	Confident	38 Å²	38	36.6 Å²	36.6	23%	0.233	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-37.3	176.3	-47.9	0	0	0	0	111.1	P97 H98 A102 L103 L104 T165 L169	P97-T100 CarbonylContact O-C 3.56Å; P97-T100 PolarHBondContact O-N 2.72Å; H98-T100 PolarHBondContact O-N 3.16Å; T100-A102 VanDerWaalsContact C-N 3.33Å; T100-L103 PolarHBondContact O-N 2.65Å; T100-L104 HydrophobicContact CG2-CD1 4.28Å; T100-L104 WeakPolarHBondContact O-CB 3.24Å; T100-L104 VanDerWaalsContact O-CG 3.3Å; T100-L104 WeakPolarHBondContact O-CG 3.28Å; T100-L104 PolarHBondContact O-N 3.19Å; T100-T165 HydrophobicContact CG2-CG2 4.24Å; T100-L169 HydrophobicContact CG2-CD2 4.15Å
101	A	87.2	Confident	86.5	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-34.9	174.9	0	0	0	0	0	112	C96 P97 H98 A105 I132 F139	C96-A101 HydrophobicContact CB-CB 4.23Å; C96-A101 PolarHBondContact SG-N 3.17Å; P97-A101 PolarHBondContact O-N 2.98Å; H98-A101 CarbonylContact O-C 3.58Å; H98-A101 WeakPolarHBondContact O-CB 3.37Å; H98-A101 PolarHBondContact O-N 2.85Å; A101-A105 WeakPolarHBondContact O-CB 3.45Å; A101-A105 PolarHBondContact O-N 3.12Å; A101-I132 HydrophobicContact CB-CG2 3.86Å; A101-F139 HydrophobicContact CB-CE2 4Å; A101-F139 HydrophobicContact CB-CZ 4.22Å
102	A	88.1	Confident	86.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-42.8	174.7	0	0	0	0	0	111.4	H98 N99 T100 A105 S106 F139 E142 V143	H98-A102 PolarHBondContact O-N 3.13Å; N99-A102 PolarHBondContact O-N 2.71Å; T100-A102 VanDerWaalsContact C-N 3.33Å; A102-A105 PolarHBondContact O-N 3.14Å; A102-S106 PolarHBondContact O-N 2.95Å; A102-F139 HydrophobicContact CB-CD2 4.16Å; A102-F139 HydrophobicContact CB-CE2 3.78Å; A102-F139 HydrophobicContact CB-CZ 4.38Å; A102-E142 HydrophobicContact CB-CB 3.98Å; A102-V143 HydrophobicContact CB-CG2 4.04Å
103	L	90.3	Very high	86.9	Confident	43 Å²	43	37.1 Å²	37.1	23%	0.225	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-44.3	173.7	-178.9	61.4	0	0	0	112	N99 T100 S106 Y107 H150 T165	N99-L103 PolarHBondContact O-N 2.79Å; N99-L103 VanDerWaalsContact O-N 3.12Å; T100-L103 PolarHBondContact O-N 2.65Å; L103-S106 PolarHBondContact O-N 2.9Å; L103-S106 PolarHBondContact O-OG 2.95Å; L103-Y107 HydrophobicContact CD1-CD2 4.49Å; L103-Y107 HydrophobicContact CD1-CE2 3.81Å; L103-Y107 HydrophobicContact CD2-CE2 4.41Å; L103-Y107 HydrophobicContact CG-CD2 4.38Å; L103-Y107 HydrophobicContact CG-CE2 3.81Å; L103-Y107 WeakPolarHBondContact O-CD2 3.33Å; L103-Y107 PolarHBondContact O-N 2.83Å; L103-H150 VanDerWaalsContact CD1-NE2 3.27Å; L103-H150 WeakPolarHBondContact CD1-NE2 3.37Å; L103-T165 HydrophobicContact CD2-CG2 4.22Å
104	L	90.6	Very high	87.1	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-43.8	174.9	-73.2	174.2	0	0	0	111.6	I89 T100 S106 Y107 A108 Y162 T165 A166 L169	I89-L104 HydrophobicContact CD1-CD1 3.65Å; T100-L104 HydrophobicContact CG2-CD1 4.28Å; T100-L104 WeakPolarHBondContact O-CB 3.24Å; T100-L104 VanDerWaalsContact O-CG 3.3Å; T100-L104 WeakPolarHBondContact O-CG 3.28Å; T100-L104 PolarHBondContact O-N 3.19Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.45Å; L104-Y107 PolarHBondContact O-N 3.23Å; L104-A108 PolarHBondContact O-N 3.02Å; L104-Y162 HydrophobicContact CB-CD2 4.05Å; L104-Y162 HydrophobicContact CB-CE2 3.65Å; L104-Y162 HydrophobicContact CD2-CD1 4.15Å; L104-Y162 HydrophobicContact CD2-CD2 3.78Å; L104-Y162 HydrophobicContact CD2-CE1 4.32Å; L104-Y162 HydrophobicContact CD2-CE2 3.98Å; L104-Y162 HydrophobicContact CD2-CG 3.86Å; L104-Y162 VanDerWaalsContact CD2-O 3.3Å; L104-Y162 WeakPolarHBondContact CD2-O 3.44Å; L104-Y162 HydrophobicContact CG-CE2 4.36Å; L104-Y162 WeakPolarHBondContact O-CD2 3.3Å; L104-Y162 WeakPolarHBondContact O-CE2 3.44Å; L104-T165 HydrophobicContact CD2-CG2 3.87Å; L104-T165 HydrophobicContact CG-CG2 4.25Å; L104-A166 HydrophobicContact CD1-CB 4.45Å; L104-A166 HydrophobicContact CD2-CB 4.21Å; L104-L169 HydrophobicContact CD1-CD1 4.22Å
105	A	89.6	Confident	87	Confident	4 Å²	4	36 Å²	36	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-39.6	174.3	0	0	0	0	0	111.9	A101 A102 Y107 A108 V109 F131 F139 V143	A101-A105 WeakPolarHBondContact O-CB 3.45Å; A101-A105 PolarHBondContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.14Å; A105-Y107 PolarHBondContact O-N 2.86Å; A105-A108 PolarHBondContact O-N 2.9Å; A105-A108 VanDerWaalsContact O-N 3.17Å; A105-V109 VanDerWaalsContact O-CG2 3.23Å; A105-V109 WeakPolarHBondContact O-CG2 3.25Å; A105-V109 PolarHBondContact O-N 3.25Å; A105-F131 HydrophobicContact CB-CB 3.99Å; A105-F131 HydrophobicContact CB-CD1 3.58Å; A105-F131 HydrophobicContact CB-CD2 3.91Å; A105-F131 HydrophobicContact CB-CE1 3.99Å; A105-F131 HydrophobicContact CB-CE2 4.27Å; A105-F131 HydrophobicContact CB-CG 3.54Å; A105-F131 HydrophobicContact CB-CZ 4.31Å; A105-F139 HydrophobicContact CB-CE1 4.31Å; A105-F139 HydrophobicContact CB-CZ 4.15Å; A105-V143 HydrophobicContact CB-CG1 4.15Å; A105-V143 HydrophobicContact CB-CG2 3.7Å
106	S	90.6	Very high	87	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-37.8	177	72.3	0	0	0	0	113.6	A102 L103 L104 V109 Q110 H146 H150	A102-S106 PolarHBondContact O-N 2.95Å; L103-S106 PolarHBondContact O-N 2.9Å; L103-S106 PolarHBondContact O-OG 2.95Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.45Å; S106-V109 PolarHBondContact O-N 2.76Å; S106-Q110 WeakPolarHBondContact O-CB 3.34Å; S106-Q110 PolarHBondContact O-N 3.11Å; S106-H146 VanDerWaalsContact CB-CB 3.5Å; S106-H146 WeakPolarHBondContact OG-CB 3.45Å; S106-H150 WeakPolarHBondContact CB-NE2 3.33Å; S106-H150 PolarHBondContact OG-CD2 3.39Å; S106-H150 PolarHBondContact OG-NE2 3.36Å
107	Y	90.6	Very high	86.6	Confident	28 Å²	28	37.9 Å²	37.9	11%	0.11	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-36	172.7	-68.5	-52.8	0	0	0	112.6	L103 L104 A105 S111 H150 L153 N161	L103-Y107 HydrophobicContact CD1-CD2 4.49Å; L103-Y107 HydrophobicContact CD1-CE2 3.81Å; L103-Y107 HydrophobicContact CD2-CE2 4.41Å; L103-Y107 HydrophobicContact CG-CD2 4.38Å; L103-Y107 HydrophobicContact CG-CE2 3.81Å; L103-Y107 WeakPolarHBondContact O-CD2 3.33Å; L103-Y107 PolarHBondContact O-N 2.83Å; L104-Y107 PolarHBondContact O-N 3.23Å; A105-Y107 PolarHBondContact O-N 2.86Å; Y107-S111 WeakPolarHBondContact O-CB 3.49Å; Y107-S111 PolarHBondContact O-N 2.97Å; Y107-H150 AromaticContact CD1-CD2 3.8Å; Y107-H150 AromaticContact CD1-NE2 3.89Å; Y107-H150 AromaticContact CE1-CD2 3.87Å; Y107-H150 AromaticContact CE1-CE1 3.65Å; Y107-H150 AromaticContact CE1-ND1 3.77Å; Y107-H150 AromaticContact CE1-NE2 3.77Å; Y107-H150 AromaticContact CZ-CE1 3.63Å; Y107-H150 AromaticContact CZ-NE2 3.98Å; Y107-H150 PolarHBondContact OH-CE1 3.06Å; Y107-L153 HydrophobicContact CE1-CD1 4.2Å; Y107-N161 HydrophobicContact CD1-CB 4.08Å; Y107-N161 HydrophobicContact CD2-CB 4.39Å; Y107-N161 HydrophobicContact CE1-CB 3.81Å; Y107-N161 HydrophobicContact CE2-CB 4.12Å; Y107-N161 HydrophobicContact CG-CB 4.38Å
108	A	89	Confident	85.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-40.9	174.5	0	0	0	0	0	111.7	F82 L104 A105 S111 E112 F131 Y162	F82-A108 HydrophobicContact CE2-CB 3.99Å; F82-A108 HydrophobicContact CZ-CB 3.82Å; L104-A108 PolarHBondContact O-N 3.02Å; A105-A108 PolarHBondContact O-N 2.9Å; A105-A108 VanDerWaalsContact O-N 3.17Å; A108-S111 PolarHBondContact O-N 2.95Å; A108-E112 PolarHBondContact O-N 3.4Å; A108-E112 VanDerWaalsContact O-N 3.14Å; A108-F131 HydrophobicContact CB-CE1 4.27Å; A108-Y162 HydrophobicContact CB-CD2 4.41Å; A108-Y162 HydrophobicContact CB-CE2 4.19Å
109	V	88.5	Confident	84.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-50.7	174.7	172.4	0	0	0	0	111.1	A105 S106 S111 E112 L113 Y125 L126 F131 V143	A105-V109 VanDerWaalsContact O-CG2 3.23Å; A105-V109 WeakPolarHBondContact O-CG2 3.25Å; A105-V109 PolarHBondContact O-N 3.25Å; S106-V109 PolarHBondContact O-N 2.76Å; V109-S111 PolarHBondContact O-N 3.13Å; V109-E112 PolarHBondContact O-N 3.33Å; V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.49Å; V109-L113 PolarHBondContact O-N 3.17Å; V109-Y125 HydrophobicContact CG1-CE2 3.8Å; V109-L126 HydrophobicContact CG1-CD2 4.14Å; V109-L126 HydrophobicContact CG2-CD2 3.53Å; V109-F131 HydrophobicContact CG2-CE1 3.99Å; V109-F131 HydrophobicContact CG2-CE2 4.3Å; V109-F131 HydrophobicContact CG2-CZ 3.4Å; V109-F131 VanDerWaalsContact CG2-CZ 3.4Å; V109-V143 HydrophobicContact CG2-CG1 4.14Å
110	Q	88.3	Confident	83.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.7	-32.6	176.2	-179.3	71.6	37.1	0	0	112	S106 G114 D115 H147 H150 L153 S158	S106-Q110 WeakPolarHBondContact O-CB 3.34Å; S106-Q110 PolarHBondContact O-N 3.11Å; Q110-G114 WeakPolarHBondContact O-CA 3.07Å; Q110-G114 PolarHBondContact O-N 3.48Å; Q110-G114 PolarHBondContact OE1-O 3.38Å; Q110-D115 PolarHBondContact NE2-OD1 2.89Å; Q110-H147 PolarHBondContact OE1-CD2 2.85Å; Q110-H150 HydrophobicContact CB-CB 4.45Å; Q110-H150 HydrophobicContact CG-CB 4.07Å; Q110-H150 PolarHBondContact NE2-O 3.35Å; Q110-H150 PolarHBondContact OE1-O 3.46Å; Q110-L153 HydrophobicContact CG-CB 4.19Å; Q110-L153 PolarHBondContact NE2-O 2.69Å; Q110-S158 WeakPolarHBondContact CG-OG 3.27Å
111	S	87.4	Confident	83.1	Confident	17 Å²	17	41.5 Å²	41.5	12%	0.119	23%	0.225	C	C	.	.	H	α-helix	trans	-76.3	-27.3	177.5	-164.2	0	0	0	0	114.1	Y107 A108 V109	Y107-S111 WeakPolarHBondContact O-CB 3.49Å; Y107-S111 PolarHBondContact O-N 2.97Å; A108-S111 PolarHBondContact O-N 2.95Å; V109-S111 PolarHBondContact O-N 3.13Å
112	E	84.4	Confident	82	Confident	76 Å²	76	45.2 Å²	45.2	36%	0.355	25%	0.25	S	C	.	.	H	α-helix	trans	-101.1	-30.6	-174.5	-75.7	168	-161.6	0	0	112.8	K86 A108 V109 F129	K86-E112 IonicContact NZ-OE1 2.65Å; K86-E112 PolarHBondContact NZ-OE1 3Å; K86-E112 IonicContact NZ-OE2 3.24Å; K86-E112 PolarHBondContact NZ-OE2 3.32Å; A108-E112 PolarHBondContact O-N 3.4Å; A108-E112 VanDerWaalsContact O-N 3.14Å; V109-E112 PolarHBondContact O-N 3.33Å; E112-F129 WeakPolarHBondContact OE2-CE1 3.38Å
113	L	83.9	Confident	80.5	Confident	73 Å²	73	51.6 Å²	51.6	38%	0.382	30%	0.295	S	S	.	.	H	α-helix	trans	-112.4	-14.4	-177.7	-57.6	-175.1	0	0	0	114.3	V109 Y125 F129	V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.49Å; V109-L113 PolarHBondContact O-N 3.17Å; L113-Y125 HydrophobicContact CD1-CD2 3.63Å; L113-Y125 HydrophobicContact CD1-CE2 3.89Å; L113-F129 HydrophobicContact CD1-CE2 4.22Å; L113-F129 HydrophobicContact CD1-CZ 4.38Å; L113-F129 HydrophobicContact CD2-CZ 4.23Å; L113-F129 HydrophobicContact CG-CZ 4.42Å
114	G	83.2	Confident	79.3	Confident	28 Å²	28	51.5 Å²	51.5	29%	0.289	30%	0.304	S	S	.	.			trans	81.5	-150.1	-174.3	0	0	0	0	0	112.7	Q110 H147	Q110-G114 WeakPolarHBondContact O-CA 3.07Å; Q110-G114 PolarHBondContact O-N 3.48Å; Q110-G114 PolarHBondContact OE1-O 3.38Å; G114-H147 PolarHBondContact O-NE2 3.11Å
115	D	84.3	Confident	78.7	Confident	66 Å²	66	53 Å²	53	35%	0.353	31%	0.31	S	S	.	.	S	Bend	trans	-71.3	144.6	-177.5	-85.5	13.1	0	0	0	112.9	Q110 N117 S151 G152	Q110-D115 PolarHBondContact NE2-OD1 2.89Å; D115-N117 PolarHBondContact O-N 2.88Å; D115-S151 WeakPolarHBondContact OD1-CA 3.38Å; D115-S151 PolarHBondContact OD2-OG 2.66Å; D115-G152 VanDerWaalsContact CG-N 3.31Å; D115-G152 PolarHBondContact OD1-N 2.96Å; D115-G152 PolarHBondContact OD2-N 3.2Å
116	Y	81.1	Confident	78	Confident	57 Å²	57	53.2 Å²	53.2	22%	0.224	31%	0.31	C	S	.	.			trans	-63.1	118.2	173.8	-178.3	-95.6	0	0	0	112.5	E118 H121 Y125 H147 Q148	Y116-E118 HydrophobicContact CE1-CB 4.23Å; Y116-H121 HydrophobicContact CD2-CB 3.75Å; Y116-H121 HydrophobicContact CE2-CB 3.43Å; Y116-H121 VanDerWaalsContact CE2-CB 3.43Å; Y116-Y125 HydrophobicContact CE2-CE1 4.08Å; Y116-H147 AromaticContact CD2-ND1 3.59Å; Y116-Q148 HydrophobicContact CD1-CG 3.44Å; Y116-Q148 VanDerWaalsContact CD1-CG 3.44Å; Y116-Q148 HydrophobicContact CD2-CG 4.29Å; Y116-Q148 HydrophobicContact CE1-CG 3.73Å; Y116-Q148 HydrophobicContact CG-CG 3.73Å
117	N	77.3	Confident	77	Confident	66 Å²	66	57.8 Å²	57.8	35%	0.353	34%	0.342	S	S	.	.			trans	-120.3	117	173.6	177.6	5.5	0	0	0	110.2	D115 A119 E120 H121	D115-N117 PolarHBondContact O-N 2.88Å; N117-A119 PolarHBondContact O-N 2.88Å; N117-A119 PolarHBondContact OD1-N 2.86Å; N117-A119 VanDerWaalsContact OD1-N 3.16Å; N117-E120 HydrophobicContact CB-CB 4.5Å; N117-E120 PolarHBondContact ND2-OE2 2.83Å; N117-E120 PolarHBondContact O-N 3.11Å; N117-E120 VanDerWaalsContact O-N 3.13Å; N117-H121 PolarHBondContact N-ND1 3.02Å; N117-H121 VanDerWaalsContact N-ND1 3.12Å; N117-H121 VanDerWaalsContact O-CB 3.27Å; N117-H121 WeakPolarHBondContact O-CB 3.5Å; N117-H121 PolarHBondContact O-N 3.17Å; N117-H121 PolarHBondContact O-ND1 3.08Å
118	E	71.2	Confident	75.9	Confident	162 Å²	162	65 Å²	65	76%	0.757	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.2	-177.2	-169.3	172.2	-165.9	0	0	113.6	Y116	Y116-E118 HydrophobicContact CE1-CB 4.23Å
119	A	63.2	Low	75.3	Confident	90 Å²	90	67.4 Å²	67.4	74%	0.744	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-27.5	178.3	0	0	0	0	0	114	N117	N117-A119 PolarHBondContact O-N 2.88Å; N117-A119 PolarHBondContact OD1-N 2.86Å; N117-A119 VanDerWaalsContact OD1-N 3.16Å
120	E	65.6	Low	74.7	Confident	142 Å²	142	71.1 Å²	71.1	66%	0.664	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-33.6	-178.8	-68.7	170.8	144.3	0	0	111.3	N117 S122	N117-E120 HydrophobicContact CB-CB 4.5Å; N117-E120 PolarHBondContact ND2-OE2 2.83Å; N117-E120 PolarHBondContact O-N 3.11Å; N117-E120 VanDerWaalsContact O-N 3.13Å; E120-S122 PolarHBondContact O-N 3.39Å
121	H	70.4	Confident	74.2	Confident	14 Å²	14	72 Å²	72	7%	0.065	42%	0.416	C	S	.	.	S	Bend	trans	-98.4	55.3	-174.4	-59.3	91.6	0	0	0	112.1	Y116 N117 Y125	Y116-H121 HydrophobicContact CD2-CB 3.75Å; Y116-H121 HydrophobicContact CE2-CB 3.43Å; Y116-H121 VanDerWaalsContact CE2-CB 3.43Å; N117-H121 PolarHBondContact N-ND1 3.02Å; N117-H121 VanDerWaalsContact N-ND1 3.12Å; N117-H121 VanDerWaalsContact O-CB 3.27Å; N117-H121 WeakPolarHBondContact O-CB 3.5Å; N117-H121 PolarHBondContact O-N 3.17Å; N117-H121 PolarHBondContact O-ND1 3.08Å; H121-Y125 HydrophobicContact CB-CD1 3.66Å; H121-Y125 HydrophobicContact CB-CD2 4.48Å; H121-Y125 HydrophobicContact CB-CE1 3.78Å; H121-Y125 HydrophobicContact CB-CG 4.03Å; H121-Y125 AromaticContact CD2-CD2 3.55Å; H121-Y125 AromaticContact CD2-CE2 3.63Å; H121-Y125 AromaticContact CD2-CG 3.87Å
122	S	64.5	Low	74	Confident	81 Å²	81	71.9 Å²	71.9	57%	0.566	41%	0.414	S	S	*	.			trans	-64	168.5	175.4	68.5	0	0	0	0	112.9	E120 G124 Y125	E120-S122 PolarHBondContact O-N 3.39Å; S122-G124 VanDerWaalsContact C-N 3.29Å; S122-G124 PolarHBondContact O-N 3.11Å; S122-Y125 WeakPolarHBondContact O-CD1 3.49Å; S122-Y125 PolarHBondContact O-N 3.47Å; S122-Y125 VanDerWaalsContact O-N 3.16Å
123	S	57.6	Low	73.5	Confident	135 Å²	135	71.8 Å²	71.8	94%	0.944	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	78.8	-174.7	61.9	0	0	0	0	113.3
124	G	64.9	Low	73.1	Confident	40 Å²	40	74.9 Å²	74.9	41%	0.412	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	163.6	-19.7	-173.8	0	0	0	0	0	114.3	S122 L126 S127	S122-G124 VanDerWaalsContact C-N 3.29Å; S122-G124 PolarHBondContact O-N 3.11Å; G124-L126 PolarHBondContact O-N 2.88Å; G124-S127 WeakPolarHBondContact O-CB 3.4Å; G124-S127 PolarHBondContact O-N 3.19Å; G124-S127 PolarHBondContact O-OG 2.89Å
125	Y	76.8	Confident	72.8	Confident	35 Å²	35	76.7 Å²	76.7	14%	0.137	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.7	-174.3	83.6	-89.3	0	0	0	115.1	V109 L113 Y116 H121 S122 H147	V109-Y125 HydrophobicContact CG1-CE2 3.8Å; L113-Y125 HydrophobicContact CD1-CD2 3.63Å; L113-Y125 HydrophobicContact CD1-CE2 3.89Å; Y116-Y125 HydrophobicContact CE2-CE1 4.08Å; H121-Y125 HydrophobicContact CB-CD1 3.66Å; H121-Y125 HydrophobicContact CB-CD2 4.48Å; H121-Y125 HydrophobicContact CB-CE1 3.78Å; H121-Y125 HydrophobicContact CB-CG 4.03Å; H121-Y125 AromaticContact CD2-CD2 3.55Å; H121-Y125 AromaticContact CD2-CE2 3.63Å; H121-Y125 AromaticContact CD2-CG 3.87Å; S122-Y125 WeakPolarHBondContact O-CD1 3.49Å; S122-Y125 PolarHBondContact O-N 3.47Å; S122-Y125 VanDerWaalsContact O-N 3.16Å; Y125-H147 AromaticContact CZ-ND1 3.83Å; Y125-H147 PolarHBondContact OH-ND1 3.3Å
126	L	74.7	Confident	72.6	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.037	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.9	177.2	-63.7	172.1	0	0	0	114.2	V109 G124 E128 F129 F131 H140 V143	V109-L126 HydrophobicContact CG1-CD2 4.14Å; V109-L126 HydrophobicContact CG2-CD2 3.53Å; G124-L126 PolarHBondContact O-N 2.88Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 2.78Å; L126-F129 PolarHBondContact O-N 3.43Å; L126-F131 HydrophobicContact CD2-CE2 4.34Å; L126-F131 HydrophobicContact CD2-CZ 4.44Å; L126-H140 HydrophobicContact CB-CB 4.36Å; L126-H140 WeakPolarHBondContact CB-ND1 3.18Å; L126-H140 HydrophobicContact CD1-CB 4.23Å; L126-H140 WeakPolarHBondContact CD1-O 3.07Å; L126-H140 PolarHBondContact O-CE1 2.98Å; L126-H140 VanDerWaalsContact O-CE1 3.24Å; L126-H140 PolarHBondContact O-ND1 3.22Å; L126-V143 HydrophobicContact CD1-CB 3.94Å; L126-V143 HydrophobicContact CD1-CG1 3.74Å; L126-V143 HydrophobicContact CD2-CG1 3.99Å
127	S	69.6	Low	72.2	Confident	96 Å²	96	82.6 Å²	82.6	67%	0.671	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.4	-175	64.3	0	0	0	0	114.1	G124 F129	G124-S127 WeakPolarHBondContact O-CB 3.4Å; G124-S127 PolarHBondContact O-N 3.19Å; G124-S127 PolarHBondContact O-OG 2.89Å; S127-F129 VanDerWaalsContact C-N 3.31Å
128	E	68.9	Low	72.4	Confident	181 Å²	181	83.7 Å²	83.7	85%	0.846	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	174.8	-59.3	-167.6	160.3	0	0	112.5	L126	L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 2.78Å
129	F	75.1	Confident	72.9	Confident	49 Å²	49	76 Å²	76	22%	0.215	45%	0.446	C	S	.	.			trans	-98.3	115.3	-176.4	-64.3	-88.3	0	0	0	112.2	E112 L113 L126 S127 F131	E112-F129 WeakPolarHBondContact OE2-CE1 3.38Å; L113-F129 HydrophobicContact CD1-CE2 4.22Å; L113-F129 HydrophobicContact CD1-CZ 4.38Å; L113-F129 HydrophobicContact CD2-CZ 4.23Å; L113-F129 HydrophobicContact CG-CZ 4.42Å; L126-F129 PolarHBondContact O-N 3.43Å; S127-F129 VanDerWaalsContact C-N 3.31Å; F129-F131 HydrophobicContact CB-CD2 4.1Å; F129-F131 HydrophobicContact CB-CE1 4.07Å; F129-F131 HydrophobicContact CB-CE2 3.32Å; F129-F131 HydrophobicContact CB-CZ 3.29Å; F129-F131 HydrophobicContact CD1-CZ 4.19Å; F129-F131 HydrophobicContact CG-CE2 4.27Å; F129-F131 AromaticContact CG-CZ 3.82Å; F129-F131 HydrophobicContact CG-CZ 3.82Å
130	C	76.8	Confident	73.9	Confident	79 Å²	79	74.8 Å²	74.8	53%	0.534	43%	0.425	S	S	.	.			trans	-93.3	107.3	169.4	-163.3	0	0	0	0	109.9	L90	L90-C130 HydrophobicContact CD1-CB 4.11Å; L90-C130 WeakPolarHBondContact CD1-O 3.49Å; L90-C130 VanDerWaalsContact CD1-SG 3.56Å
131	F	78.1	Confident	74.7	Confident	18 Å²	18	74.9 Å²	74.9	8%	0.079	42%	0.423	C	S	.	.			trans	-96.6	-33.5	-179.7	-59.2	-77.5	0	0	0	113.5	A105 A108 V109 L126 F129 F139	A105-F131 HydrophobicContact CB-CB 3.99Å; A105-F131 HydrophobicContact CB-CD1 3.58Å; A105-F131 HydrophobicContact CB-CD2 3.91Å; A105-F131 HydrophobicContact CB-CE1 3.99Å; A105-F131 HydrophobicContact CB-CE2 4.27Å; A105-F131 HydrophobicContact CB-CG 3.54Å; A105-F131 HydrophobicContact CB-CZ 4.31Å; A108-F131 HydrophobicContact CB-CE1 4.27Å; V109-F131 HydrophobicContact CG2-CE1 3.99Å; V109-F131 HydrophobicContact CG2-CE2 4.3Å; V109-F131 HydrophobicContact CG2-CZ 3.4Å; V109-F131 VanDerWaalsContact CG2-CZ 3.4Å; L126-F131 HydrophobicContact CD2-CE2 4.34Å; L126-F131 HydrophobicContact CD2-CZ 4.44Å; F129-F131 HydrophobicContact CB-CD2 4.1Å; F129-F131 HydrophobicContact CB-CE1 4.07Å; F129-F131 HydrophobicContact CB-CE2 3.32Å; F129-F131 HydrophobicContact CB-CZ 3.29Å; F129-F131 HydrophobicContact CD1-CZ 4.19Å; F129-F131 HydrophobicContact CG-CE2 4.27Å; F129-F131 AromaticContact CG-CZ 3.82Å; F129-F131 HydrophobicContact CG-CZ 3.82Å; F131-F139 HydrophobicContact CB-CE1 4.09Å; F131-F139 HydrophobicContact CB-CZ 4.41Å; F131-F139 HydrophobicContact CD2-CE1 4.11Å; F131-F139 HydrophobicContact CG-CE1 4.47Å
132	I	81.8	Confident	75.4	Confident	15 Å²	15	77.7 Å²	77.7	8%	0.077	44%	0.436	C	S	.	.	S	Bend	trans	-138.6	148.9	-178.2	51	173.6	0	0	0	109.6	I89 A101 N134 P135 F139	I89-I132 HydrophobicContact CG2-CG2 3.81Å; A101-I132 HydrophobicContact CB-CG2 3.86Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.19Å; I132-P135 HydrophobicContact CD1-CB 4.15Å; I132-P135 HydrophobicContact CG1-CB 3.99Å; I132-F139 HydrophobicContact CD1-CD1 4.36Å; I132-F139 HydrophobicContact CD1-CD2 3.82Å; I132-F139 HydrophobicContact CD1-CE1 4.15Å; I132-F139 HydrophobicContact CD1-CE2 3.56Å; I132-F139 HydrophobicContact CD1-CG 4.22Å; I132-F139 HydrophobicContact CD1-CZ 3.74Å; I132-F139 HydrophobicContact CG1-CE1 4.13Å; I132-F139 HydrophobicContact CG1-CE2 4.35Å; I132-F139 HydrophobicContact CG1-CZ 4.02Å
133	P	73.8	Confident	76.4	Confident	73 Å²	73	73.9 Å²	73.9	47%	0.474	41%	0.409	S	S	.	.	S	Bend	trans	-67.5	-24.1	-170.7	20.5	-28.6	0	0	0	114.5	L90	L90-P133 WeakPolarHBondContact O-CD 3.27Å
134	N	76.8	Confident	77.7	Confident	139 Å²	139	68.5 Å²	68.5	74%	0.743	37%	0.372	S	S	*	.	S	Bend	trans	-138.1	86.9	175.9	-70.8	-41.3	0	0	0	109.7	I132	I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.19Å
135	P	77.3	Confident	78.8	Confident	66 Å²	66	72.8 Å²	72.8	43%	0.429	38%	0.379	S	S	.	.			trans	-74.9	133.5	-179.9	28.6	-32.4	0	0	0	112.2	I132 F139	I132-P135 HydrophobicContact CD1-CB 4.15Å; I132-P135 HydrophobicContact CG1-CB 3.99Å; P135-F139 HydrophobicContact CB-CB 4.24Å; P135-F139 HydrophobicContact CB-CD1 4.13Å; P135-F139 HydrophobicContact CB-CG 4.29Å
136	P	78.4	Confident	79.4	Confident	54 Å²	54	73.6 Å²	73.6	35%	0.351	38%	0.384	S	S	.	.			trans	-68.2	156.6	170	25.1	-29.6	0	0	0	111.5	H98 D138 F139	H98-P136 HydrophobicContact CB-CG 4.49Å; P136-D138 PolarHBondContact O-N 2.88Å; P136-D138 VanDerWaalsContact O-N 3.11Å; P136-F139 HydrophobicContact CG-CB 4.01Å; P136-F139 HydrophobicContact CG-CD2 4.37Å; P136-F139 WeakPolarHBondContact O-CB 3.35Å; P136-F139 PolarHBondContact O-N 2.86Å
137	Q	73.4	Confident	79.9	Confident	193 Å²	193	73.2 Å²	73.2	90%	0.902	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.8	-170.2	-71.3	-175.3	-15.7	0	0	114.6
138	D	80.7	Confident	80.7	Confident	88 Å²	88	73.4 Å²	73.4	47%	0.471	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	178.5	-68	-58.7	0	0	0	114.2	P136 H140 K141 E142	P136-D138 PolarHBondContact O-N 2.88Å; P136-D138 VanDerWaalsContact O-N 3.11Å; D138-H140 VanDerWaalsContact C-N 3.34Å; D138-H140 PolarHBondContact O-N 2.75Å; D138-K141 WeakPolarHBondContact O-CA 3.25Å; D138-K141 WeakPolarHBondContact O-CB 3.42Å; D138-K141 PolarHBondContact O-N 3.49Å; D138-K141 WeakPolarHBondContact OD1-CD 3.5Å; D138-K141 WeakPolarHBondContact OD1-CE 3.36Å; D138-K141 IonicContact OD1-NZ 3.91Å; D138-K141 PolarHBondContact OD1-NZ 2.97Å; D138-E142 PolarHBondContact O-N 2.98Å; D138-E142 VanDerWaalsContact O-N 3.17Å
139	F	83.2	Confident	81.6	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	36%	0.359	C	S	.	.	H	α-helix	trans	-53.3	-46.7	-174.2	-173	-104	0	0	0	113.1	A101 A102 A105 F131 I132 P135 P136 K141 E142 V143	A101-F139 HydrophobicContact CB-CE2 4Å; A101-F139 HydrophobicContact CB-CZ 4.22Å; A102-F139 HydrophobicContact CB-CD2 4.16Å; A102-F139 HydrophobicContact CB-CE2 3.78Å; A102-F139 HydrophobicContact CB-CZ 4.38Å; A105-F139 HydrophobicContact CB-CE1 4.31Å; A105-F139 HydrophobicContact CB-CZ 4.15Å; F131-F139 HydrophobicContact CB-CE1 4.09Å; F131-F139 HydrophobicContact CB-CZ 4.41Å; F131-F139 HydrophobicContact CD2-CE1 4.11Å; F131-F139 HydrophobicContact CG-CE1 4.47Å; I132-F139 HydrophobicContact CD1-CD1 4.36Å; I132-F139 HydrophobicContact CD1-CD2 3.82Å; I132-F139 HydrophobicContact CD1-CE1 4.15Å; I132-F139 HydrophobicContact CD1-CE2 3.56Å; I132-F139 HydrophobicContact CD1-CG 4.22Å; I132-F139 HydrophobicContact CD1-CZ 3.74Å; I132-F139 HydrophobicContact CG1-CE1 4.13Å; I132-F139 HydrophobicContact CG1-CE2 4.35Å; I132-F139 HydrophobicContact CG1-CZ 4.02Å; P135-F139 HydrophobicContact CB-CB 4.24Å; P135-F139 HydrophobicContact CB-CD1 4.13Å; P135-F139 HydrophobicContact CB-CG 4.29Å; P136-F139 HydrophobicContact CG-CB 4.01Å; P136-F139 HydrophobicContact CG-CD2 4.37Å; P136-F139 WeakPolarHBondContact O-CB 3.35Å; P136-F139 PolarHBondContact O-N 2.86Å; F139-K141 PolarHBondContact O-N 3.38Å; F139-E142 PolarHBondContact O-N 2.96Å; F139-V143 HydrophobicContact CD1-CG2 4.04Å; F139-V143 HydrophobicContact CE1-CG2 3.73Å; F139-V143 HydrophobicContact CZ-CG2 4.02Å; F139-V143 WeakPolarHBondContact O-CG2 3.41Å; F139-V143 PolarHBondContact O-N 3.33Å
140	H	83.6	Confident	82.1	Confident	64 Å²	64	69.2 Å²	69.2	30%	0.296	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-27.3	-179.9	-63.9	-93.9	0	0	0	112.6	L126 D138 S144	L126-H140 HydrophobicContact CB-CB 4.36Å; L126-H140 WeakPolarHBondContact CB-ND1 3.18Å; L126-H140 HydrophobicContact CD1-CB 4.23Å; L126-H140 WeakPolarHBondContact CD1-O 3.07Å; L126-H140 PolarHBondContact O-CE1 2.98Å; L126-H140 VanDerWaalsContact O-CE1 3.24Å; L126-H140 PolarHBondContact O-ND1 3.22Å; D138-H140 VanDerWaalsContact C-N 3.34Å; D138-H140 PolarHBondContact O-N 2.75Å; H140-S144 WeakPolarHBondContact O-CB 3.39Å; H140-S144 PolarHBondContact O-N 2.78Å; H140-S144 VanDerWaalsContact O-N 3.1Å
141	K	83	Confident	82.4	Confident	143 Å²	143	69.3 Å²	69.3	62%	0.622	36%	0.355	S	S	*	.	H	α-helix	trans	-72.4	-42.1	174.4	-57.2	175.3	-171.3	161.4	0	110.9	D138 F139 S144 K145	D138-K141 WeakPolarHBondContact O-CA 3.25Å; D138-K141 WeakPolarHBondContact O-CB 3.42Å; D138-K141 PolarHBondContact O-N 3.49Å; D138-K141 WeakPolarHBondContact OD1-CD 3.5Å; D138-K141 WeakPolarHBondContact OD1-CE 3.36Å; D138-K141 IonicContact OD1-NZ 3.91Å; D138-K141 PolarHBondContact OD1-NZ 2.97Å; F139-K141 PolarHBondContact O-N 3.38Å; K141-S144 PolarHBondContact O-N 2.7Å; K141-K145 WeakPolarHBondContact O-CB 3.41Å; K141-K145 PolarHBondContact O-N 2.87Å
142	E	84.8	Confident	82.6	Confident	74 Å²	74	71.2 Å²	71.2	35%	0.346	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.3	-63.2	-172.2	139.9	0	0	111.7	A102 D138 F139 S144 K145 H146	A102-E142 HydrophobicContact CB-CB 3.98Å; D138-E142 PolarHBondContact O-N 2.98Å; D138-E142 VanDerWaalsContact O-N 3.17Å; F139-E142 PolarHBondContact O-N 2.96Å; E142-S144 PolarHBondContact O-N 3.05Å; E142-K145 PolarHBondContact O-N 2.82Å; E142-H146 PolarHBondContact O-CD2 3.22Å; E142-H146 VanDerWaalsContact O-CD2 3.27Å; E142-H146 PolarHBondContact O-N 2.8Å
143	V	86	Confident	82.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-59.3	-46.7	174.5	174	0	0	0	0	111.3	A102 A105 V109 L126 F139 H146 H147	A102-V143 HydrophobicContact CB-CG2 4.04Å; A105-V143 HydrophobicContact CB-CG1 4.15Å; A105-V143 HydrophobicContact CB-CG2 3.7Å; V109-V143 HydrophobicContact CG2-CG1 4.14Å; L126-V143 HydrophobicContact CD1-CB 3.94Å; L126-V143 HydrophobicContact CD1-CG1 3.74Å; L126-V143 HydrophobicContact CD2-CG1 3.99Å; F139-V143 HydrophobicContact CD1-CG2 4.04Å; F139-V143 HydrophobicContact CE1-CG2 3.73Å; F139-V143 HydrophobicContact CZ-CG2 4.02Å; F139-V143 WeakPolarHBondContact O-CG2 3.41Å; F139-V143 PolarHBondContact O-N 3.33Å; V143-H146 PolarHBondContact O-N 2.77Å; V143-H147 WeakPolarHBondContact O-CB 3.49Å; V143-H147 PolarHBondContact O-N 2.93Å
144	S	85.1	Confident	83.5	Confident	22 Å²	22	71.7 Å²	71.7	15%	0.154	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-40.9	178	-178.5	0	0	0	0	112.4	H140 K141 E142 H146 H147 Q148	H140-S144 WeakPolarHBondContact O-CB 3.39Å; H140-S144 PolarHBondContact O-N 2.78Å; H140-S144 VanDerWaalsContact O-N 3.1Å; K141-S144 PolarHBondContact O-N 2.7Å; E142-S144 PolarHBondContact O-N 3.05Å; S144-H146 PolarHBondContact O-N 3.16Å; S144-H147 WeakPolarHBondContact O-CB 3.42Å; S144-H147 PolarHBondContact O-N 3.37Å; S144-Q148 WeakPolarHBondContact O-CG 3.47Å; S144-Q148 PolarHBondContact O-N 3.18Å; S144-Q148 VanDerWaalsContact O-N 3.08Å
145	K	87.3	Confident	83.9	Confident	131 Å²	131	67.8 Å²	67.8	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-40.9	175	-178.4	-175.2	176.6	-174.2	0	112.5	K141 E142 Q149	K141-K145 WeakPolarHBondContact O-CB 3.41Å; K141-K145 PolarHBondContact O-N 2.87Å; E142-K145 PolarHBondContact O-N 2.82Å; K145-Q149 WeakPolarHBondContact O-CG 3.13Å
146	H	88.4	Confident	84.1	Confident	51 Å²	51	66 Å²	66	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-73.6	-35.5	175.3	-74.1	-55.5	0	0	0	112.3	S106 E142 V143 S144 Q148 Q149 H150	S106-H146 VanDerWaalsContact CB-CB 3.5Å; S106-H146 WeakPolarHBondContact OG-CB 3.45Å; E142-H146 PolarHBondContact O-CD2 3.22Å; E142-H146 VanDerWaalsContact O-CD2 3.27Å; E142-H146 PolarHBondContact O-N 2.8Å; V143-H146 PolarHBondContact O-N 2.77Å; S144-H146 PolarHBondContact O-N 3.16Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.28Å; H146-Q149 PolarHBondContact ND1-OE1 2.98Å; H146-Q149 WeakPolarHBondContact O-CB 3.04Å; H146-Q149 PolarHBondContact O-N 2.99Å; H146-H150 PolarHBondContact O-CD2 3.38Å
147	H	86.9	Confident	84.4	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-41.3	175.1	-173.1	-147.1	0	0	0	112	Q110 G114 Y116 Y125 V143 S144 Q149 H150	Q110-H147 PolarHBondContact OE1-CD2 2.85Å; G114-H147 PolarHBondContact O-NE2 3.11Å; Y116-H147 AromaticContact CD2-ND1 3.59Å; Y125-H147 AromaticContact CZ-ND1 3.83Å; Y125-H147 PolarHBondContact OH-ND1 3.3Å; V143-H147 WeakPolarHBondContact O-CB 3.49Å; V143-H147 PolarHBondContact O-N 2.93Å; S144-H147 WeakPolarHBondContact O-CB 3.42Å; S144-H147 PolarHBondContact O-N 3.37Å; H147-Q149 PolarHBondContact O-N 2.84Å; H147-H150 PolarHBondContact O-N 3.35Å; H147-H150 VanDerWaalsContact O-N 3.11Å
148	Q	86.4	Confident	85	Confident	100 Å²	100	58.9 Å²	58.9	47%	0.467	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.7	-25.6	172.8	-72.5	169.7	2.4	0	0	114.1	Y116 S144 H146 H150	Y116-Q148 HydrophobicContact CD1-CG 3.44Å; Y116-Q148 VanDerWaalsContact CD1-CG 3.44Å; Y116-Q148 HydrophobicContact CD2-CG 4.29Å; Y116-Q148 HydrophobicContact CE1-CG 3.73Å; Y116-Q148 HydrophobicContact CG-CG 3.73Å; S144-Q148 WeakPolarHBondContact O-CG 3.47Å; S144-Q148 PolarHBondContact O-N 3.18Å; S144-Q148 VanDerWaalsContact O-N 3.08Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.28Å; Q148-H150 VanDerWaalsContact C-N 3.34Å
149	Q	86.9	Confident	85.3	Confident	121 Å²	121	54.8 Å²	54.8	57%	0.565	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-84.7	-7.5	-179.6	-62.7	174.6	-28	0	0	113.2	K145 H146 H147	K145-Q149 WeakPolarHBondContact O-CG 3.13Å; H146-Q149 PolarHBondContact ND1-OE1 2.98Å; H146-Q149 WeakPolarHBondContact O-CB 3.04Å; H146-Q149 PolarHBondContact O-N 2.99Å; H147-Q149 PolarHBondContact O-N 2.84Å
150	H	86.1	Confident	85.4	Confident	21 Å²	21	56.6 Å²	56.6	10%	0.097	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-105.7	7.4	-170.7	-63.8	-25.2	0	0	0	114.2	L103 S106 Y107 Q110 H146 H147 Q148 G152 L153	L103-H150 VanDerWaalsContact CD1-NE2 3.27Å; L103-H150 WeakPolarHBondContact CD1-NE2 3.37Å; S106-H150 WeakPolarHBondContact CB-NE2 3.33Å; S106-H150 PolarHBondContact OG-CD2 3.39Å; S106-H150 PolarHBondContact OG-NE2 3.36Å; Y107-H150 AromaticContact CD1-CD2 3.8Å; Y107-H150 AromaticContact CD1-NE2 3.89Å; Y107-H150 AromaticContact CE1-CD2 3.87Å; Y107-H150 AromaticContact CE1-CE1 3.65Å; Y107-H150 AromaticContact CE1-ND1 3.77Å; Y107-H150 AromaticContact CE1-NE2 3.77Å; Y107-H150 AromaticContact CZ-CE1 3.63Å; Y107-H150 AromaticContact CZ-NE2 3.98Å; Y107-H150 PolarHBondContact OH-CE1 3.06Å; Q110-H150 HydrophobicContact CB-CB 4.45Å; Q110-H150 HydrophobicContact CG-CB 4.07Å; Q110-H150 PolarHBondContact NE2-O 3.35Å; Q110-H150 PolarHBondContact OE1-O 3.46Å; H146-H150 PolarHBondContact O-CD2 3.38Å; H147-H150 PolarHBondContact O-N 3.35Å; H147-H150 VanDerWaalsContact O-N 3.11Å; Q148-H150 VanDerWaalsContact C-N 3.34Å; H150-G152 PolarHBondContact O-N 2.82Å; H150-L153 HydrophobicContact CB-CD1 4.02Å; H150-L153 VanDerWaalsContact O-CB 3.3Å; H150-L153 WeakPolarHBondContact O-CB 3.39Å; H150-L153 WeakPolarHBondContact O-CG 3.44Å; H150-L153 PolarHBondContact O-N 3.02Å; H150-L153 VanDerWaalsContact O-N 3.11Å
151	S	82.2	Confident	85.6	Confident	80 Å²	80	55.5 Å²	55.5	56%	0.559	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.2	-180	175.4	0	0	0	0	112.3	D115	D115-S151 WeakPolarHBondContact OD1-CA 3.38Å; D115-S151 PolarHBondContact OD2-OG 2.66Å
152	G	82.8	Confident	85.9	Confident	58 Å²	58	49 Å²	49	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-0.6	-175.6	0	0	0	0	0	114.9	D115 H150	D115-G152 VanDerWaalsContact CG-N 3.31Å; D115-G152 PolarHBondContact OD1-N 2.96Å; D115-G152 PolarHBondContact OD2-N 3.2Å; H150-G152 PolarHBondContact O-N 2.82Å
153	L	87	Confident	86	Confident	47 Å²	47	45.5 Å²	45.5	25%	0.246	26%	0.255	C	S	.	.			trans	-80.6	122.1	171.4	-68.5	-176.1	0	0	0	111.4	Y107 Q110 H150 Q157	Y107-L153 HydrophobicContact CE1-CD1 4.2Å; Q110-L153 HydrophobicContact CG-CB 4.19Å; Q110-L153 PolarHBondContact NE2-O 2.69Å; H150-L153 HydrophobicContact CB-CD1 4.02Å; H150-L153 VanDerWaalsContact O-CB 3.3Å; H150-L153 WeakPolarHBondContact O-CB 3.39Å; H150-L153 WeakPolarHBondContact O-CG 3.44Å; H150-L153 PolarHBondContact O-N 3.02Å; H150-L153 VanDerWaalsContact O-N 3.11Å; L153-Q157 HydrophobicContact CD2-CB 4.44Å
154	S	87.1	Confident	86	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	27%	0.27	S	S	.	.			trans	-68.5	153.2	171.2	65.5	0	0	0	0	111.9	A156 Q157 S158	S154-A156 VanDerWaalsContact C-N 3.3Å; S154-A156 PolarHBondContact O-N 3.18Å; S154-Q157 WeakPolarHBondContact O-CA 3.37Å; S154-Q157 WeakPolarHBondContact O-CB 3.4Å; S154-Q157 PolarHBondContact O-N 2.98Å; S154-Q157 WeakPolarHBondContact OG-CG 3.48Å; S154-Q157 PolarHBondContact OG-OE1 3.04Å; S154-S158 PolarHBondContact O-N 2.92Å; S154-S158 PolarHBondContact O-OG 2.91Å
155	P	84.8	Confident	86.1	Confident	58 Å²	58	48.6 Å²	48.6	38%	0.377	27%	0.27	S	S	.	.	H	α-helix	trans	-50.9	-45.8	179.9	-30.6	36.7	0	0	0	113.7	Q157 S158 E159	P155-Q157 PolarHBondContact O-N 3.09Å; P155-S158 WeakPolarHBondContact O-CB 3.25Å; P155-S158 PolarHBondContact O-N 3.2Å; P155-S158 VanDerWaalsContact O-N 3.09Å; P155-E159 WeakPolarHBondContact O-CG 3.46Å; P155-E159 PolarHBondContact O-N 3.33Å
156	A	82.2	Confident	86.1	Confident	29 Å²	29	42.3 Å²	42.3	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-25.3	178.6	0	0	0	0	0	114.4	Y75 S154 F160	Y75-A156 HydrophobicContact CD2-CB 4.49Å; Y75-A156 HydrophobicContact CE2-CB 4.21Å; S154-A156 VanDerWaalsContact C-N 3.3Å; S154-A156 PolarHBondContact O-N 3.18Å; A156-F160 WeakPolarHBondContact O-CB 3.23Å; A156-F160 PolarHBondContact O-N 3.3Å
157	Q	83.9	Confident	85.9	Confident	96 Å²	96	45.8 Å²	45.8	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-82.2	-39.6	173	-71	165	-43.4	0	0	111	L153 S154 P155 F160 N161	L153-Q157 HydrophobicContact CD2-CB 4.44Å; S154-Q157 WeakPolarHBondContact O-CA 3.37Å; S154-Q157 WeakPolarHBondContact O-CB 3.4Å; S154-Q157 PolarHBondContact O-N 2.98Å; S154-Q157 WeakPolarHBondContact OG-CG 3.48Å; S154-Q157 PolarHBondContact OG-OE1 3.04Å; P155-Q157 PolarHBondContact O-N 3.09Å; Q157-F160 PolarHBondContact O-N 2.84Å; Q157-N161 WeakPolarHBondContact O-CB 3.25Å; Q157-N161 VanDerWaalsContact O-CG 3.28Å; Q157-N161 PolarHBondContact O-N 3.22Å; Q157-N161 PolarHBondContact O-ND2 3.36Å
158	S	87.8	Confident	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-45.9	174.1	-58.9	0	0	0	0	111.6	Q110 S154 P155 F160 N161 Y162	Q110-S158 WeakPolarHBondContact CG-OG 3.27Å; S154-S158 PolarHBondContact O-N 2.92Å; S154-S158 PolarHBondContact O-OG 2.91Å; P155-S158 WeakPolarHBondContact O-CB 3.25Å; P155-S158 PolarHBondContact O-N 3.2Å; P155-S158 VanDerWaalsContact O-N 3.09Å; S158-F160 VanDerWaalsContact C-N 3.35Å; S158-F160 PolarHBondContact O-N 3.2Å; S158-N161 PolarHBondContact O-N 2.84Å; S158-Y162 VanDerWaalsContact O-CB 3.32Å; S158-Y162 WeakPolarHBondContact O-CB 3.4Å; S158-Y162 PolarHBondContact O-N 2.88Å
159	E	86.6	Confident	85.7	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-42.7	171.1	-71.1	172.1	-157.9	0	0	112.6	Y79 F82 P155 Y162 L163	Y79-E159 WeakPolarHBondContact CD2-OE1 3.3Å; F82-E159 HydrophobicContact CB-CG 4.49Å; F82-E159 HydrophobicContact CD1-CG 4.36Å; F82-E159 HydrophobicContact CD2-CG 4.46Å; F82-E159 HydrophobicContact CG-CG 4.19Å; P155-E159 WeakPolarHBondContact O-CG 3.46Å; P155-E159 PolarHBondContact O-N 3.33Å; E159-Y162 WeakPolarHBondContact O-CB 3.46Å; E159-Y162 PolarHBondContact O-N 2.83Å; E159-L163 WeakPolarHBondContact O-CG 3.17Å; E159-L163 PolarHBondContact O-N 2.68Å
160	F	84.9	Confident	85.4	Confident	41 Å²	41	45.2 Å²	45.2	18%	0.18	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-44.1	178.4	179.3	-99.6	0	0	0	111.6	P68 A156 Q157 S158 Y162 L163 N164	P68-F160 HydrophobicContact CB-CE2 4.12Å; A156-F160 WeakPolarHBondContact O-CB 3.23Å; A156-F160 PolarHBondContact O-N 3.3Å; Q157-F160 PolarHBondContact O-N 2.84Å; S158-F160 VanDerWaalsContact C-N 3.35Å; S158-F160 PolarHBondContact O-N 3.2Å; F160-Y162 VanDerWaalsContact C-N 3.33Å; F160-Y162 PolarHBondContact O-N 3.02Å; F160-L163 PolarHBondContact O-N 3Å; F160-N164 HydrophobicContact CE1-CB 4.49Å; F160-N164 VanDerWaalsContact O-CB 3.25Å; F160-N164 WeakPolarHBondContact O-CB 3.32Å; F160-N164 PolarHBondContact O-N 2.85Å
161	N	87.1	Confident	85.3	Confident	41 Å²	41	45.1 Å²	45.1	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-37.5	176.6	-71.6	-17.4	0	0	0	111.6	Y107 Q157 S158 N164 T165	Y107-N161 HydrophobicContact CD1-CB 4.08Å; Y107-N161 HydrophobicContact CD2-CB 4.39Å; Y107-N161 HydrophobicContact CE1-CB 3.81Å; Y107-N161 HydrophobicContact CE2-CB 4.12Å; Y107-N161 HydrophobicContact CG-CB 4.38Å; Q157-N161 WeakPolarHBondContact O-CB 3.25Å; Q157-N161 VanDerWaalsContact O-CG 3.28Å; Q157-N161 PolarHBondContact O-N 3.22Å; Q157-N161 PolarHBondContact O-ND2 3.36Å; S158-N161 PolarHBondContact O-N 2.84Å; N161-N164 PolarHBondContact O-N 3.31Å; N161-T165 VanDerWaalsContact O-CB 3.31Å; N161-T165 WeakPolarHBondContact O-CB 3.21Å; N161-T165 PolarHBondContact O-N 3.26Å; N161-T165 PolarHBondContact O-OG1 3.49Å
162	Y	90	Very high	85.4	Confident	7 Å²	7	42.6 Å²	42.6	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-52.8	170.8	-175.1	-77.5	0	0	0	111.1	F82 I85 K86 L104 A108 S158 E159 F160 T165 A166	F82-Y162 AromaticContact CD2-CD1 3.55Å; F82-Y162 HydrophobicContact CD2-CD1 3.55Å; F82-Y162 HydrophobicContact CD2-CD2 4.06Å; F82-Y162 AromaticContact CD2-CE1 3.91Å; F82-Y162 HydrophobicContact CD2-CE1 3.91Å; F82-Y162 HydrophobicContact CD2-CE2 4.38Å; F82-Y162 AromaticContact CD2-CG 3.65Å; F82-Y162 HydrophobicContact CD2-CG 3.65Å; F82-Y162 HydrophobicContact CE2-CD1 4.03Å; F82-Y162 AromaticContact CE2-CD2 3.66Å; F82-Y162 HydrophobicContact CE2-CD2 3.66Å; F82-Y162 HydrophobicContact CE2-CE1 4.24Å; F82-Y162 AromaticContact CE2-CE2 3.9Å; F82-Y162 HydrophobicContact CE2-CE2 3.9Å; F82-Y162 AromaticContact CE2-CG 3.74Å; F82-Y162 HydrophobicContact CE2-CG 3.74Å; I85-Y162 HydrophobicContact CB-CE1 4.03Å; I85-Y162 HydrophobicContact CG2-CE1 3.63Å; K86-Y162 WeakPolarHBondContact CA-OH 3.5Å; K86-Y162 PolarHBondContact N-OH 3.11Å; L104-Y162 HydrophobicContact CB-CD2 4.05Å; L104-Y162 HydrophobicContact CB-CE2 3.65Å; L104-Y162 HydrophobicContact CD2-CD1 4.15Å; L104-Y162 HydrophobicContact CD2-CD2 3.78Å; L104-Y162 HydrophobicContact CD2-CE1 4.32Å; L104-Y162 HydrophobicContact CD2-CE2 3.98Å; L104-Y162 HydrophobicContact CD2-CG 3.86Å; L104-Y162 VanDerWaalsContact CD2-O 3.3Å; L104-Y162 WeakPolarHBondContact CD2-O 3.44Å; L104-Y162 HydrophobicContact CG-CE2 4.36Å; L104-Y162 WeakPolarHBondContact O-CD2 3.3Å; L104-Y162 WeakPolarHBondContact O-CE2 3.44Å; A108-Y162 HydrophobicContact CB-CD2 4.41Å; A108-Y162 HydrophobicContact CB-CE2 4.19Å; S158-Y162 VanDerWaalsContact O-CB 3.32Å; S158-Y162 WeakPolarHBondContact O-CB 3.4Å; S158-Y162 PolarHBondContact O-N 2.88Å; E159-Y162 WeakPolarHBondContact O-CB 3.46Å; E159-Y162 PolarHBondContact O-N 2.83Å; F160-Y162 VanDerWaalsContact C-N 3.33Å; F160-Y162 PolarHBondContact O-N 3.02Å; Y162-T165 PolarHBondContact O-N 3.12Å; Y162-A166 WeakPolarHBondContact O-CB 3.34Å; Y162-A166 PolarHBondContact O-N 2.91Å
163	L	87.6	Confident	85.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-39	179.7	-69.8	174.3	0	0	0	112.7	P68 L71 R78 I85 E159 F160 T165 A166 R167	P68-L163 HydrophobicContact CB-CB 4.1Å; P68-L163 HydrophobicContact CG-CB 4.19Å; L71-L163 HydrophobicContact CD1-CD1 4.29Å; R78-L163 HydrophobicContact CG-CD1 3.74Å; I85-L163 HydrophobicContact CG1-CD2 4.18Å; E159-L163 WeakPolarHBondContact O-CG 3.17Å; E159-L163 PolarHBondContact O-N 2.68Å; F160-L163 PolarHBondContact O-N 3Å; L163-T165 VanDerWaalsContact C-N 3.28Å; L163-T165 PolarHBondContact O-N 3.44Å; L163-A166 PolarHBondContact O-N 3.49Å; L163-R167 PolarHBondContact O-N 3.22Å; L163-R167 VanDerWaalsContact O-N 3.08Å
164	N	85.9	Confident	85.3	Confident	58 Å²	58	38.9 Å²	38.9	31%	0.31	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-28.9	176.1	-175.3	38.7	0	0	0	112.5	F160 N161 R167	F160-N164 HydrophobicContact CE1-CB 4.49Å; F160-N164 VanDerWaalsContact O-CB 3.25Å; F160-N164 WeakPolarHBondContact O-CB 3.32Å; F160-N164 PolarHBondContact O-N 2.85Å; N161-N164 PolarHBondContact O-N 3.31Å; N164-R167 WeakPolarHBondContact O-CG 3.26Å; N164-R167 PolarHBondContact O-NE 3.06Å; N164-R167 PolarHBondContact OD1-NE 3.31Å; N164-R167 PolarHBondContact OD1-NH2 3.27Å
165	T	86.9	Confident	85.2	Confident	28 Å²	28	38.1 Å²	38.1	17%	0.172	20%	0.202	C	C	.	.	H	α-helix	trans	-78.9	-45.1	171.9	-55.2	0	0	0	0	110.8	T100 L103 L104 N161 Y162 L163 R167 S168	T100-T165 HydrophobicContact CG2-CG2 4.24Å; L103-T165 HydrophobicContact CD2-CG2 4.22Å; L104-T165 HydrophobicContact CD2-CG2 3.87Å; L104-T165 HydrophobicContact CG-CG2 4.25Å; N161-T165 VanDerWaalsContact O-CB 3.31Å; N161-T165 WeakPolarHBondContact O-CB 3.21Å; N161-T165 PolarHBondContact O-N 3.26Å; N161-T165 PolarHBondContact O-OG1 3.49Å; Y162-T165 PolarHBondContact O-N 3.12Å; L163-T165 VanDerWaalsContact C-N 3.28Å; L163-T165 PolarHBondContact O-N 3.44Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.43Å; T165-S168 PolarHBondContact O-N 2.77Å; T165-S168 PolarHBondContact O-OG 3.48Å
166	A	86.8	Confident	85.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-25.8	-177.6	0	0	0	0	0	113.9	I85 L104 Y162 L163 S168 L169 Y172	I85-A166 HydrophobicContact CG2-CB 3.76Å; L104-A166 HydrophobicContact CD1-CB 4.45Å; L104-A166 HydrophobicContact CD2-CB 4.21Å; Y162-A166 WeakPolarHBondContact O-CB 3.34Å; Y162-A166 PolarHBondContact O-N 2.91Å; L163-A166 PolarHBondContact O-N 3.49Å; A166-S168 PolarHBondContact O-N 2.99Å; A166-L169 HydrophobicContact CB-CD1 4.46Å; A166-L169 WeakPolarHBondContact O-CB 3.46Å; A166-L169 WeakPolarHBondContact O-CG 3.41Å; A166-L169 PolarHBondContact O-N 2.75Å; A166-Y172 HydrophobicContact CB-CD2 4.46Å; A166-Y172 WeakPolarHBondContact O-CD2 3.43Å
167	R	84.8	Confident	85.6	Confident	123 Å²	123	37.7 Å²	37.7	46%	0.464	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.6	177.8	84.3	-170.1	170.1	90.1	2.4	114.5	L163 N164 T165 L169 Y172	L163-R167 PolarHBondContact O-N 3.22Å; L163-R167 VanDerWaalsContact O-N 3.08Å; N164-R167 WeakPolarHBondContact O-CG 3.26Å; N164-R167 PolarHBondContact O-NE 3.06Å; N164-R167 PolarHBondContact OD1-NE 3.31Å; N164-R167 PolarHBondContact OD1-NH2 3.27Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.43Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-Y172 HydrophobicContact CB-CD1 4.21Å; R167-Y172 HydrophobicContact CB-CE1 4.13Å; R167-Y172 HydrophobicContact CB-CG 4.46Å
168	S	84	Confident	85.8	Confident	94 Å²	94	41.2 Å²	41.2	66%	0.657	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.4	176.6	69.1	0	0	0	0	113.3	T165 A166	T165-S168 PolarHBondContact O-N 2.77Å; T165-S168 PolarHBondContact O-OG 3.48Å; A166-S168 PolarHBondContact O-N 2.99Å
169	L	84.9	Confident	85.8	Confident	15 Å²	15	41.4 Å²	41.4	8%	0.079	20%	0.204	C	C	.	.	S	Bend	trans	-72.2	131.4	176.7	-60.7	173.4	0	0	0	110.4	I89 L94 C96 T100 L104 A166 R167 L171 Y172	I89-L169 HydrophobicContact CD1-CD1 4.34Å; L94-L169 HydrophobicContact CD1-CB 4.03Å; L94-L169 HydrophobicContact CD1-CD1 4.37Å; L94-L169 HydrophobicContact CD2-CD1 3.84Å; L94-L169 HydrophobicContact CG-CD1 3.99Å; C96-L169 HydrophobicContact CB-CD1 4.36Å; C96-L169 HydrophobicContact CB-CD2 4.47Å; T100-L169 HydrophobicContact CG2-CD2 4.15Å; L104-L169 HydrophobicContact CD1-CD1 4.22Å; A166-L169 HydrophobicContact CB-CD1 4.46Å; A166-L169 WeakPolarHBondContact O-CB 3.46Å; A166-L169 WeakPolarHBondContact O-CG 3.41Å; A166-L169 PolarHBondContact O-N 2.75Å; R167-L169 VanDerWaalsContact C-N 3.31Å; L169-L171 PolarHBondContact O-N 3.18Å; L169-Y172 VanDerWaalsContact O-CB 3.22Å; L169-Y172 WeakPolarHBondContact O-CB 3.48Å; L169-Y172 PolarHBondContact O-N 2.69Å
170	E	80.2	Confident	85.8	Confident	101 Å²	101	46.1 Å²	46.1	47%	0.472	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.8	-170.1	-166.6	-175.2	168.6	0	0	114.8	Y199 R204	E170-Y199 HydrophobicContact CG-CE1 4.11Å; E170-Y199 PolarHBondContact O-OH 3.36Å; E170-Y199 VanDerWaalsContact O-OH 3.1Å; E170-R204 WeakPolarHBondContact OE1-CB 3.43Å; E170-R204 PolarHBondContact OE1-N 2.68Å
171	L	83.9	Confident	85.6	Confident	19 Å²	19	46 Å²	46	10%	0.099	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	12.9	179.1	-65.6	177.2	0	0	0	113.6	L94 P95 L169 G173 V174 L176 Y199	L94-L171 HydrophobicContact CD1-CB 3.86Å; P95-L171 HydrophobicContact CG-CD1 4.03Å; L169-L171 PolarHBondContact O-N 3.18Å; L171-G173 PolarHBondContact O-N 3.11Å; L171-V174 HydrophobicContact CD2-CB 4.42Å; L171-V174 HydrophobicContact CD2-CG1 4.48Å; L171-V174 PolarHBondContact O-N 3.29Å; L171-L176 HydrophobicContact CD1-CD1 4.29Å; L171-L176 HydrophobicContact CD2-CD1 4.22Å; L171-L176 HydrophobicContact CD2-CD2 4.12Å; L171-Y199 HydrophobicContact CD2-CD1 4.13Å; L171-Y199 HydrophobicContact CD2-CD2 4.47Å; L171-Y199 HydrophobicContact CD2-CE1 3.55Å; L171-Y199 HydrophobicContact CD2-CE2 3.93Å; L171-Y199 VanDerWaalsContact CD2-CZ 3.44Å
172	Y	84.4	Confident	85	Confident	26 Å²	26	50.2 Å²	50.2	10%	0.102	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	118.9	176.2	174	-93.5	0	0	0	111	F64 V65 I85 A166 R167 L169 V174	F64-Y172 HydrophobicContact CD1-CE2 4.47Å; V65-Y172 PolarHBondContact O-OH 2.93Å; I85-Y172 HydrophobicContact CD1-CD2 3.76Å; I85-Y172 HydrophobicContact CD1-CE2 3.64Å; I85-Y172 HydrophobicContact CG1-CE2 4.11Å; A166-Y172 HydrophobicContact CB-CD2 4.46Å; A166-Y172 WeakPolarHBondContact O-CD2 3.43Å; R167-Y172 HydrophobicContact CB-CD1 4.21Å; R167-Y172 HydrophobicContact CB-CE1 4.13Å; R167-Y172 HydrophobicContact CB-CG 4.46Å; L169-Y172 VanDerWaalsContact O-CB 3.22Å; L169-Y172 WeakPolarHBondContact O-CB 3.48Å; L169-Y172 PolarHBondContact O-N 2.69Å; Y172-V174 VanDerWaalsContact C-N 3.26Å; Y172-V174 PolarHBondContact O-N 3.47Å
173	G	81.8	Confident	84.5	Confident	13 Å²	13	54.3 Å²	54.3	13%	0.134	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	17.5	176.8	0	0	0	0	0	116.1	F64 L171	F64-G173 VanDerWaalsContact CD2-CA 3.45Å; L171-G173 PolarHBondContact O-N 3.11Å
174	V	84.8	Confident	84.1	Confident	14 Å²	14	58.9 Å²	58.9	9%	0.085	30%	0.295	C	S	.	.			trans	-92.2	123.2	-178.6	-176.2	0	0	0	0	111.3	L171 Y172 L176 G190 M192 Y199	L171-V174 HydrophobicContact CD2-CB 4.42Å; L171-V174 HydrophobicContact CD2-CG1 4.48Å; L171-V174 PolarHBondContact O-N 3.29Å; Y172-V174 VanDerWaalsContact C-N 3.26Å; Y172-V174 PolarHBondContact O-N 3.47Å; V174-L176 HydrophobicContact CG1-CD2 3.73Å; V174-L176 HydrophobicContact CG1-CG 4.15Å; V174-G190 VanDerWaalsContact CG1-CA 3.46Å; V174-M192 HydrophobicContact CG2-CB 4.4Å; V174-Y199 HydrophobicContact CG1-CE2 4.09Å
175	E	85.9	Confident	84	Confident	35 Å²	35	57.3 Å²	57.3	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	107	169.2	-167	175.2	178.6	0	0	110	H177 G190 V191 H259	E175-H177 IonicContact OE1-CE1 2.82Å; E175-H177 IonicContact OE1-NE2 2.7Å; E175-G190 CarbonylContact O-C 3.6Å; E175-G190 WeakPolarHBondContact O-CA 3.5Å; E175-V191 HydrophobicContact CB-CB 4.46Å; E175-V191 PolarHBondContact N-O 2.96Å; E175-V191 PolarHBondContact O-N 3.46Å; E175-H259 IonicContact OE2-CE1 2.71Å
176	L	86.9	Confident	84	Confident	55 Å²	55	62.1 Å²	62.1	29%	0.288	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.3	-175.8	-65.2	170.7	0	0	0	112.6	L171 V174 L188 Y199	L171-L176 HydrophobicContact CD1-CD1 4.29Å; L171-L176 HydrophobicContact CD2-CD1 4.22Å; L171-L176 HydrophobicContact CD2-CD2 4.12Å; V174-L176 HydrophobicContact CG1-CD2 3.73Å; V174-L176 HydrophobicContact CG1-CG 4.15Å; L176-L188 HydrophobicContact CD2-CB 4.15Å; L176-Y199 HydrophobicContact CD2-CD2 3.85Å; L176-Y199 HydrophobicContact CD2-CE2 3.97Å
177	H	87.4	Confident	84.2	Confident	24 Å²	24	62.5 Å²	62.5	11%	0.111	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.5	175.7	-57.9	-82.4	0	0	0	111.6	E175 A179 L188 I189 M243 L252	E175-H177 IonicContact OE1-CE1 2.82Å; E175-H177 IonicContact OE1-NE2 2.7Å; H177-A179 PolarHBondContact O-N 3.11Å; H177-L188 WeakPolarHBondContact O-CA 3.23Å; H177-I189 PolarHBondContact N-O 3.16Å; H177-I189 PolarHBondContact O-N 2.94Å; H177-M243 HydrophobicContact CB-CE 4.03Å; H177-L252 HydrophobicContact CB-CB 4.4Å; H177-L252 HydrophobicContact CB-CD1 4.26Å; H177-L252 WeakPolarHBondContact CD2-CD1 3.46Å
178	Y	88.4	Confident	84.4	Confident	169 Å²	169	57.8 Å²	57.8	66%	0.663	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.3	177.6	-69.5	-89.9	0	0	0	112.8	L188 M243	Y178-L188 HydrophobicContact CD1-CD2 3.54Å; Y178-L188 HydrophobicContact CD2-CD2 4.19Å; Y178-L188 HydrophobicContact CE1-CD2 3.61Å; Y178-L188 HydrophobicContact CE2-CD2 4.22Å; Y178-L188 HydrophobicContact CG-CD2 3.85Å; Y178-M243 VanDerWaalsContact O-CE 3.29Å; Y178-M243 WeakPolarHBondContact O-CE 3.41Å
179	A	88.1	Confident	84.7	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	176.1	178.2	0	0	0	0	0	111.4	H177 I187 I189 N242 M243	H177-A179 PolarHBondContact O-N 3.11Å; A179-I187 HydrophobicContact CB-CD1 4.11Å; A179-I187 HydrophobicContact CB-CG1 3.99Å; A179-I187 PolarHBondContact N-O 3.48Å; A179-I187 WeakPolarHBondContact O-CG1 3.37Å; A179-I187 PolarHBondContact O-N 2.97Å; A179-I189 HydrophobicContact CB-CD1 3.55Å; A179-I189 HydrophobicContact CB-CG1 3.84Å; A179-N242 CarbonylContact C-O 3.23Å; A179-N242 WeakPolarHBondContact CA-O 3.41Å; A179-M243 HydrophobicContact CB-CE 4.46Å; A179-M243 HydrophobicContact CB-SD 3.53Å; A179-M243 VanDerWaalsContact CB-SD 3.53Å
180	R	86.6	Confident	85	Confident	100 Å²	100	52.6 Å²	52.6	38%	0.377	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.2	168.4	-62.1	-172.5	180	155.2	-3.2	110.1	N184 A185 E186 N242	R180-N184 WeakPolarHBondContact CD-OD1 3.39Å; R180-A185 WeakPolarHBondContact CA-O 3.21Å; R180-E186 HydrophobicContact CG-CG 4.4Å; R180-E186 IonicContact CZ-OE1 3.38Å; R180-E186 IonicContact NE-OE1 3.16Å; R180-E186 PolarHBondContact NE-OE1 3.47Å; R180-E186 VanDerWaalsContact NE-OE1 3.16Å; R180-E186 IonicContact NH2-OE1 2.75Å; R180-E186 PolarHBondContact NH2-OE1 3.29Å; R180-N242 PolarHBondContact N-O 3.35Å; R180-N242 PolarHBondContact O-N 2.89Å
181	D	81.3	Confident	85.4	Confident	40 Å²	40	47.8 Å²	47.8	21%	0.214	24%	0.239	C	C	.	.			trans	-79.1	-176.1	177.3	68.4	20.8	0	0	0	112.5	S183 N184 A185 I187	D181-S183 VanDerWaalsContact CG-OG 3.3Å; D181-S183 PolarHBondContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-C 3.31Å; D181-S183 VanDerWaalsContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CA 3.46Å; D181-S183 WeakPolarHBondContact OD1-CB 3.07Å; D181-S183 PolarHBondContact OD1-N 3.04Å; D181-S183 PolarHBondContact OD1-OG 3.12Å; D181-S183 PolarHBondContact OD2-OG 3.29Å; D181-N184 WeakPolarHBondContact O-CA 3.41Å; D181-N184 PolarHBondContact O-N 3.29Å; D181-N184 PolarHBondContact OD1-N 3.33Å; D181-N184 VanDerWaalsContact OD1-N 3.07Å; D181-A185 PolarHBondContact N-O 2.95Å; D181-A185 PolarHBondContact OD1-N 2.58Å; D181-I187 HydrophobicContact CB-CD1 4.2Å
182	Q	75.3	Confident	85.5	Confident	128 Å²	128	49 Å²	49	60%	0.598	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.1	177.7	-55.1	-166.1	39.3	0	0	112.9	N184 E236	Q182-N184 PolarHBondContact O-N 3.12Å; Q182-E236 PolarHBondContact NE2-OE2 2.82Å
183	S	78	Confident	85.4	Confident	93 Å²	93	48.8 Å²	48.8	65%	0.65	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	3.7	174.3	77.1	0	0	0	0	113.4	D181 A185	D181-S183 VanDerWaalsContact CG-OG 3.3Å; D181-S183 PolarHBondContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-C 3.31Å; D181-S183 VanDerWaalsContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CA 3.46Å; D181-S183 WeakPolarHBondContact OD1-CB 3.07Å; D181-S183 PolarHBondContact OD1-N 3.04Å; D181-S183 PolarHBondContact OD1-OG 3.12Å; D181-S183 PolarHBondContact OD2-OG 3.29Å; S183-A185 PolarHBondContact O-N 3.34Å
184	N	78.8	Confident	85.4	Confident	97 Å²	97	50 Å²	50	52%	0.519	26%	0.256	S	S	.	.			trans	61.3	19.9	-173.9	-172.5	64.9	0	0	0	113.8	R180 D181 Q182	R180-N184 WeakPolarHBondContact CD-OD1 3.39Å; D181-N184 WeakPolarHBondContact O-CA 3.41Å; D181-N184 PolarHBondContact O-N 3.29Å; D181-N184 PolarHBondContact OD1-N 3.33Å; D181-N184 VanDerWaalsContact OD1-N 3.07Å; Q182-N184 PolarHBondContact O-N 3.12Å
185	A	84.1	Confident	85.5	Confident	24 Å²	24	49.3 Å²	49.3	20%	0.198	25%	0.252	C	S	.	.			trans	-76.5	146.1	171.1	0	0	0	0	0	110.7	R180 D181 S183	R180-A185 WeakPolarHBondContact CA-O 3.21Å; D181-A185 PolarHBondContact N-O 2.95Å; D181-A185 PolarHBondContact OD1-N 2.58Å; S183-A185 PolarHBondContact O-N 3.34Å
186	E	87.8	Confident	85.7	Confident	130 Å²	130	47.7 Å²	47.7	61%	0.607	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.9	-176.3	-53.4	-157	133.4	0	0	111.7	R180	R180-E186 HydrophobicContact CG-CG 4.4Å; R180-E186 IonicContact CZ-OE1 3.38Å; R180-E186 IonicContact NE-OE1 3.16Å; R180-E186 PolarHBondContact NE-OE1 3.47Å; R180-E186 VanDerWaalsContact NE-OE1 3.16Å; R180-E186 IonicContact NH2-OE1 2.75Å; R180-E186 PolarHBondContact NH2-OE1 3.29Å
187	I	90.8	Very high	85.8	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.6	-175.2	55.5	159.6	0	0	0	110.5	A179 D181 I189 V198 Y199 K200 F241	A179-I187 HydrophobicContact CB-CD1 4.11Å; A179-I187 HydrophobicContact CB-CG1 3.99Å; A179-I187 PolarHBondContact N-O 3.48Å; A179-I187 WeakPolarHBondContact O-CG1 3.37Å; A179-I187 PolarHBondContact O-N 2.97Å; D181-I187 HydrophobicContact CB-CD1 4.2Å; I187-I189 HydrophobicContact CD1-CG1 4.37Å; I187-V198 HydrophobicContact CB-CG1 4.07Å; I187-V198 HydrophobicContact CD1-CG1 3.84Å; I187-V198 HydrophobicContact CG2-CG1 4.28Å; I187-Y199 CarbonylContact C-O 3.53Å; I187-Y199 WeakPolarHBondContact CA-O 3.31Å; I187-Y199 WeakPolarHBondContact CB-O 3.27Å; I187-K200 HydrophobicContact CG2-CB 4.39Å; I187-F241 HydrophobicContact CD1-CD1 3.44Å; I187-F241 VanDerWaalsContact CD1-CD1 3.44Å; I187-F241 HydrophobicContact CD1-CE1 3.68Å; I187-F241 HydrophobicContact CD1-CG 4.49Å
188	L	89.5	Confident	85.9	Confident	25 Å²	25	44.2 Å²	44.2	13%	0.131	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	172.3	-66.3	164	0	0	0	108.9	L176 H177 Y178 V198 Y199	L176-L188 HydrophobicContact CD2-CB 4.15Å; H177-L188 WeakPolarHBondContact O-CA 3.23Å; Y178-L188 HydrophobicContact CD1-CD2 3.54Å; Y178-L188 HydrophobicContact CD2-CD2 4.19Å; Y178-L188 HydrophobicContact CE1-CD2 3.61Å; Y178-L188 HydrophobicContact CE2-CD2 4.22Å; Y178-L188 HydrophobicContact CG-CD2 3.85Å; L188-V198 WeakPolarHBondContact O-CA 3.46Å; L188-Y199 PolarHBondContact N-O 3.08Å; L188-Y199 PolarHBondContact O-N 3.16Å
189	I	90.3	Very high	85.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.7	172.1	-59.5	175.6	0	0	0	107.5	H177 A179 I187 I196 V197 F223 F241 M243 L252	H177-I189 PolarHBondContact N-O 3.16Å; H177-I189 PolarHBondContact O-N 2.94Å; A179-I189 HydrophobicContact CB-CD1 3.55Å; A179-I189 HydrophobicContact CB-CG1 3.84Å; I187-I189 HydrophobicContact CD1-CG1 4.37Å; I189-I196 HydrophobicContact CG2-CG2 3.55Å; I189-V197 CarbonylContact C-O 3.51Å; I189-V197 WeakPolarHBondContact CA-O 3.33Å; I189-F223 HydrophobicContact CD1-CD1 4.45Å; I189-F241 HydrophobicContact CD1-CB 3.79Å; I189-F241 HydrophobicContact CD1-CD1 4.17Å; I189-F241 HydrophobicContact CD1-CD2 3.85Å; I189-F241 HydrophobicContact CD1-CE2 4.4Å; I189-F241 HydrophobicContact CD1-CG 3.68Å; I189-M243 HydrophobicContact CD1-SD 4.22Å; I189-L252 HydrophobicContact CB-CD1 4.42Å; I189-L252 HydrophobicContact CB-CD2 4.31Å; I189-L252 HydrophobicContact CD1-CD2 3.79Å; I189-L252 HydrophobicContact CG2-CD1 3.81Å; I189-L252 HydrophobicContact CG2-CD2 4.12Å
190	G	89.8	Confident	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.8	173.4	0	0	0	0	0	111.5	V174 E175 I196 V197	V174-G190 VanDerWaalsContact CG1-CA 3.46Å; E175-G190 CarbonylContact O-C 3.6Å; E175-G190 WeakPolarHBondContact O-CA 3.5Å; G190-I196 CarbonylContact O-C 3.49Å; G190-I196 WeakPolarHBondContact O-CA 3.25Å; G190-V197 PolarHBondContact N-O 3.03Å; G190-V197 PolarHBondContact O-N 2.92Å
191	V	89	Confident	85.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.8	166.3	-173	0	0	0	0	108.2	E175 W210 L252 A255 C256 H259	E175-V191 HydrophobicContact CB-CB 4.46Å; E175-V191 PolarHBondContact N-O 2.96Å; E175-V191 PolarHBondContact O-N 3.46Å; V191-W210 HydrophobicContact CG1-CH2 4.02Å; V191-W210 HydrophobicContact CG1-CZ2 3.91Å; V191-L252 HydrophobicContact CG2-CD1 3.68Å; V191-A255 HydrophobicContact CG2-CB 4.37Å; V191-C256 VanDerWaalsContact CG2-SG 3.57Å; V191-H259 HydrophobicContact CG1-CB 3.86Å
192	M	86.8	Confident	85.1	Confident	44 Å²	44	46.6 Å²	46.6	22%	0.217	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	168.3	176.8	73.3	-176.9	-142.8	0	0	111.2	V174 A194 G195 V197 Y207 W210	V174-M192 HydrophobicContact CG2-CB 4.4Å; M192-A194 VanDerWaalsContact C-N 3.25Å; M192-A194 HydrophobicContact CE-CB 3.83Å; M192-A194 PolarHBondContact O-N 2.93Å; M192-G195 WeakPolarHBondContact CG-O 3.23Å; M192-G195 PolarHBondContact N-O 3Å; M192-G195 PolarHBondContact O-N 2.84Å; M192-V197 HydrophobicContact CE-CG2 4.38Å; M192-V197 HydrophobicContact CG-CG2 4.08Å; M192-V197 HydrophobicContact SD-CG2 3.43Å; M192-V197 WeakPolarHBondContact SD-CG2 3.28Å; M192-Y207 HydrophobicContact CE-CD2 4.2Å; M192-Y207 HydrophobicContact CE-CE2 3.47Å; M192-Y207 VanDerWaalsContact CE-CE2 3.47Å; M192-W210 WeakPolarHBondContact O-CZ2 3.31Å; M192-W210 PolarHBondContact O-NE1 3.39Å
193	S	82.6	Confident	85.2	Confident	22 Å²	22	45 Å²	45	15%	0.154	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.6	-175.1	43.1	0	0	0	0	114.6	F64 T66 W210 F263	F64-S193 WeakPolarHBondContact O-CB 3.41Å; F64-S193 PolarHBondContact O-OG 3.13Å; T66-S193 WeakPolarHBondContact CG2-OG 3.47Å; S193-W210 VanDerWaalsContact O-CD1 3.25Å; S193-W210 PolarHBondContact O-NE1 3.16Å; S193-W210 VanDerWaalsContact O-NE1 3.07Å; S193-F263 VanDerWaalsContact CB-CE2 3.43Å
194	A	81.1	Confident	85.5	Confident	38 Å²	38	47.4 Å²	47.4	31%	0.314	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-12.6	177.2	0	0	0	0	0	115.6	M192 Y207 P209 W210	M192-A194 VanDerWaalsContact C-N 3.25Å; M192-A194 HydrophobicContact CE-CB 3.83Å; M192-A194 PolarHBondContact O-N 2.93Å; A194-Y207 WeakPolarHBondContact CB-OH 3.37Å; A194-Y207 PolarHBondContact O-OH 3.18Å; A194-P209 WeakPolarHBondContact O-CA 3.23Å; A194-W210 VanDerWaalsContact O-CD1 3.31Å; A194-W210 PolarHBondContact O-N 3.1Å
195	G	86.6	Confident	85.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-161.8	179	0	0	0	0	0	115.6	M192 F208 W210	M192-G195 WeakPolarHBondContact CG-O 3.23Å; M192-G195 PolarHBondContact N-O 3Å; M192-G195 PolarHBondContact O-N 2.84Å; G195-F208 CarbonylContact C-O 3.54Å; G195-F208 VanDerWaalsContact CA-O 3.27Å; G195-F208 WeakPolarHBondContact CA-O 3.45Å; G195-W210 VanDerWaalsContact N-NE1 3.19Å
196	I	89.7	Confident	85.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.6	171.1	-59.3	177.6	0	0	0	108.6	I189 G190 F208 W210 I213 I216 F223 I225	I189-I196 HydrophobicContact CG2-CG2 3.55Å; G190-I196 CarbonylContact O-C 3.49Å; G190-I196 WeakPolarHBondContact O-CA 3.25Å; I196-F208 HydrophobicContact CB-CB 4.44Å; I196-F208 PolarHBondContact N-O 2.99Å; I196-F208 PolarHBondContact O-N 3.18Å; I196-W210 HydrophobicContact CD1-CH2 4.07Å; I196-W210 HydrophobicContact CD1-CZ3 3.79Å; I196-W210 HydrophobicContact CG1-CE3 4.47Å; I196-W210 HydrophobicContact CG1-CH2 3.53Å; I196-W210 HydrophobicContact CG1-CZ2 4.41Å; I196-W210 HydrophobicContact CG1-CZ3 3.58Å; I196-I213 HydrophobicContact CD1-CD1 4.06Å; I196-I213 HydrophobicContact CG1-CD1 4.23Å; I196-I216 HydrophobicContact CD1-CD1 3.96Å; I196-F223 HydrophobicContact CD1-CE1 4.45Å; I196-F223 HydrophobicContact CD1-CZ 4.41Å; I196-I225 HydrophobicContact CB-CD1 4.44Å; I196-I225 HydrophobicContact CD1-CD1 3.86Å; I196-I225 HydrophobicContact CD1-CG1 4.44Å; I196-I225 HydrophobicContact CG2-CD1 4.11Å
197	V	89.9	Confident	85.7	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.3	179.3	-169.6	0	0	0	0	109	I189 G190 M192 Y199 R204 N206 Y207	I189-V197 CarbonylContact C-O 3.51Å; I189-V197 WeakPolarHBondContact CA-O 3.33Å; G190-V197 PolarHBondContact N-O 3.03Å; G190-V197 PolarHBondContact O-N 2.92Å; M192-V197 HydrophobicContact CE-CG2 4.38Å; M192-V197 HydrophobicContact CG-CG2 4.08Å; M192-V197 HydrophobicContact SD-CG2 3.43Å; M192-V197 WeakPolarHBondContact SD-CG2 3.28Å; V197-Y199 HydrophobicContact CB-CD2 4.39Å; V197-Y199 HydrophobicContact CB-CE2 3.66Å; V197-Y199 HydrophobicContact CG1-CD2 4Å; V197-Y199 HydrophobicContact CG1-CE1 4.24Å; V197-Y199 HydrophobicContact CG1-CE2 3.38Å; V197-R204 HydrophobicContact CG1-CB 4.43Å; V197-R204 HydrophobicContact CG1-CG 3.6Å; V197-N206 CarbonylContact C-O 3.6Å; V197-N206 WeakPolarHBondContact CA-O 3.45Å; V197-N206 WeakPolarHBondContact CG1-O 3.32Å; V197-Y207 HydrophobicContact CG2-CD2 3.9Å; V197-Y207 HydrophobicContact CG2-CE2 4.5Å
198	V	89.1	Confident	85.5	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126	171.5	-176.9	0	0	0	0	109.5	I187 L188 I205 N206 F208 F241	I187-V198 HydrophobicContact CB-CG1 4.07Å; I187-V198 HydrophobicContact CD1-CG1 3.84Å; I187-V198 HydrophobicContact CG2-CG1 4.28Å; L188-V198 WeakPolarHBondContact O-CA 3.46Å; V198-I205 PolarHBondContact O-N 2.95Å; V198-N206 HydrophobicContact CB-CB 4.24Å; V198-N206 PolarHBondContact N-O 2.88Å; V198-N206 PolarHBondContact O-N 3.14Å; V198-F208 HydrophobicContact CG2-CD2 4.48Å; V198-F208 HydrophobicContact CG2-CE2 3.82Å; V198-F241 HydrophobicContact CG2-CE1 4.05Å; V198-F241 HydrophobicContact CG2-CZ 3.72Å
199	Y	86.6	Confident	85.3	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.4	176.8	-56.8	-100.2	0	0	0	111	E170 L171 V174 L176 I187 L188 V197 V203 R204	E170-Y199 HydrophobicContact CG-CE1 4.11Å; E170-Y199 PolarHBondContact O-OH 3.36Å; E170-Y199 VanDerWaalsContact O-OH 3.1Å; L171-Y199 HydrophobicContact CD2-CD1 4.13Å; L171-Y199 HydrophobicContact CD2-CD2 4.47Å; L171-Y199 HydrophobicContact CD2-CE1 3.55Å; L171-Y199 HydrophobicContact CD2-CE2 3.93Å; L171-Y199 VanDerWaalsContact CD2-CZ 3.44Å; V174-Y199 HydrophobicContact CG1-CE2 4.09Å; L176-Y199 HydrophobicContact CD2-CD2 3.85Å; L176-Y199 HydrophobicContact CD2-CE2 3.97Å; I187-Y199 CarbonylContact C-O 3.53Å; I187-Y199 WeakPolarHBondContact CA-O 3.31Å; I187-Y199 WeakPolarHBondContact CB-O 3.27Å; L188-Y199 PolarHBondContact N-O 3.08Å; L188-Y199 PolarHBondContact O-N 3.16Å; V197-Y199 HydrophobicContact CB-CD2 4.39Å; V197-Y199 HydrophobicContact CB-CE2 3.66Å; V197-Y199 HydrophobicContact CG1-CD2 4Å; V197-Y199 HydrophobicContact CG1-CE1 4.24Å; V197-Y199 HydrophobicContact CG1-CE2 3.38Å; Y199-V203 CarbonylContact C-O 3.59Å; Y199-V203 WeakPolarHBondContact CA-O 3.45Å; Y199-R204 HydrophobicContact CD1-CB 3.94Å; Y199-R204 HydrophobicContact CE1-CB 3.79Å
200	K	84.9	Confident	85	Confident	80 Å²	80	49.6 Å²	49.6	35%	0.348	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133	168.9	-172.7	174.6	-174.8	169.9	0	107.6	I187 R202 V203 I205	I187-K200 HydrophobicContact CG2-CB 4.39Å; K200-R202 PolarHBondContact O-N 2.95Å; K200-R202 VanDerWaalsContact O-N 3.11Å; K200-V203 PolarHBondContact N-O 3.45Å; K200-V203 PolarHBondContact O-N 3.24Å; K200-I205 HydrophobicContact CB-CD1 3.35Å; K200-I205 HydrophobicContact CB-CG1 3.95Å; K200-I205 HydrophobicContact CD-CD1 3.67Å; K200-I205 HydrophobicContact CG-CD1 4.17Å
201	N	80.8	Confident	84.5	Confident	145 Å²	145	56 Å²	56	78%	0.775	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34.7	-173	-57.4	-13	0	0	0	113.2	V203	N201-V203 PolarHBondContact O-N 3.33Å
202	R	75.4	Confident	84	Confident	134 Å²	134	62.5 Å²	62.5	51%	0.506	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	1.8	-173.2	-58.1	178.9	175.7	-109.4	6.6	116.8	K200	K200-R202 PolarHBondContact O-N 2.95Å; K200-R202 VanDerWaalsContact O-N 3.11Å
203	V	77.9	Confident	83.8	Confident	94 Å²	94	60.8 Å²	60.8	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	133	171.9	-177.9	0	0	0	0	109.9	Y199 K200 N201 I205	Y199-V203 CarbonylContact C-O 3.59Å; Y199-V203 WeakPolarHBondContact CA-O 3.45Å; K200-V203 PolarHBondContact N-O 3.45Å; K200-V203 PolarHBondContact O-N 3.24Å; N201-V203 PolarHBondContact O-N 3.33Å; V203-I205 PolarHBondContact O-N 3.01Å
204	R	83.4	Confident	83.5	Confident	145 Å²	145	62.2 Å²	62.2	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	119.1	173.6	179.3	174.9	71.5	-170.7	2.8	111.4	E170 V197 Y199	E170-R204 WeakPolarHBondContact OE1-CB 3.43Å; E170-R204 PolarHBondContact OE1-N 2.68Å; V197-R204 HydrophobicContact CG1-CB 4.43Å; V197-R204 HydrophobicContact CG1-CG 3.6Å; Y199-R204 HydrophobicContact CD1-CB 3.94Å; Y199-R204 HydrophobicContact CE1-CB 3.79Å
205	I	84.7	Confident	83.5	Confident	91 Å²	91	62.2 Å²	62.2	47%	0.467	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-55.7	170.2	-61.4	-173.2	0	0	0	110.7	V198 K200 V203	V198-I205 PolarHBondContact O-N 2.95Å; K200-I205 HydrophobicContact CB-CD1 3.35Å; K200-I205 HydrophobicContact CB-CG1 3.95Å; K200-I205 HydrophobicContact CD-CD1 3.67Å; K200-I205 HydrophobicContact CG-CD1 4.17Å; V203-I205 PolarHBondContact O-N 3.01Å
206	N	82.9	Confident	83.5	Confident	77 Å²	77	62.4 Å²	62.4	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.6	-169.6	-76.2	-43.2	0	0	0	111.4	V197 V198 F208	V197-N206 CarbonylContact C-O 3.6Å; V197-N206 WeakPolarHBondContact CA-O 3.45Å; V197-N206 WeakPolarHBondContact CG1-O 3.32Å; V198-N206 HydrophobicContact CB-CB 4.24Å; V198-N206 PolarHBondContact N-O 2.88Å; V198-N206 PolarHBondContact O-N 3.14Å; N206-F208 HydrophobicContact CB-CE1 4.34Å; N206-F208 HydrophobicContact CB-CE2 3.93Å; N206-F208 HydrophobicContact CB-CZ 3.67Å
207	Y	87.9	Confident	83.2	Confident	93 Å²	93	63.1 Å²	63.1	37%	0.365	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.8	174.2	171.4	-132.7	0	0	0	110.6	M192 A194 V197 P209	M192-Y207 HydrophobicContact CE-CD2 4.2Å; M192-Y207 HydrophobicContact CE-CE2 3.47Å; M192-Y207 VanDerWaalsContact CE-CE2 3.47Å; A194-Y207 WeakPolarHBondContact CB-OH 3.37Å; A194-Y207 PolarHBondContact O-OH 3.18Å; V197-Y207 HydrophobicContact CG2-CD2 3.9Å; V197-Y207 HydrophobicContact CG2-CE2 4.5Å; Y207-P209 HydrophobicContact CD1-CG 4.25Å; Y207-P209 HydrophobicContact CE1-CG 3.73Å; Y207-P209 HydrophobicContact CE2-CG 4.48Å
208	F	87	Confident	83	Confident	28 Å²	28	63.2 Å²	63.2	12%	0.123	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	94.4	-177.7	-54.3	-60.3	0	0	0	109.2	G195 I196 V198 N206 I213 I225 F227 L239 F241	G195-F208 CarbonylContact C-O 3.54Å; G195-F208 VanDerWaalsContact CA-O 3.27Å; G195-F208 WeakPolarHBondContact CA-O 3.45Å; I196-F208 HydrophobicContact CB-CB 4.44Å; I196-F208 PolarHBondContact N-O 2.99Å; I196-F208 PolarHBondContact O-N 3.18Å; V198-F208 HydrophobicContact CG2-CD2 4.48Å; V198-F208 HydrophobicContact CG2-CE2 3.82Å; N206-F208 HydrophobicContact CB-CE1 4.34Å; N206-F208 HydrophobicContact CB-CE2 3.93Å; N206-F208 HydrophobicContact CB-CZ 3.67Å; F208-I213 HydrophobicContact CB-CD1 4.05Å; F208-I213 HydrophobicContact CB-CG1 4.44Å; F208-I225 HydrophobicContact CD2-CD1 4.16Å; F208-F227 HydrophobicContact CB-CE1 4.11Å; F208-F227 AromaticContact CD1-CE1 3.47Å; F208-F227 HydrophobicContact CD1-CE1 3.47Å; F208-F227 VanDerWaalsContact CD1-CE1 3.47Å; F208-F227 AromaticContact CD1-CZ 3.43Å; F208-F227 HydrophobicContact CD1-CZ 3.43Å; F208-F227 VanDerWaalsContact CD1-CZ 3.43Å; F208-F227 HydrophobicContact CE1-CE1 4.09Å; F208-F227 HydrophobicContact CE1-CE2 4.42Å; F208-F227 AromaticContact CE1-CZ 3.57Å; F208-F227 HydrophobicContact CE1-CZ 3.57Å; F208-F227 AromaticContact CG-CE1 3.9Å; F208-F227 HydrophobicContact CG-CE1 3.9Å; F208-F227 AromaticContact CG-CZ 3.95Å; F208-F227 HydrophobicContact CG-CZ 3.95Å; F208-F227 HydrophobicContact CZ-CZ 4.18Å; F208-L239 HydrophobicContact CE1-CD2 4.13Å; F208-L239 HydrophobicContact CE2-CD2 3.7Å; F208-L239 HydrophobicContact CZ-CD2 3.32Å; F208-F241 HydrophobicContact CE2-CZ 4.32Å
209	P	84.6	Confident	82.6	Confident	29 Å²	29	67.6 Å²	67.6	19%	0.188	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	144.7	176.3	-20.7	29.9	0	0	0	111.4	A194 Y207 L211 K212	A194-P209 WeakPolarHBondContact O-CA 3.23Å; Y207-P209 HydrophobicContact CD1-CG 4.25Å; Y207-P209 HydrophobicContact CE1-CG 3.73Å; Y207-P209 HydrophobicContact CE2-CG 4.48Å; P209-L211 PolarHBondContact O-N 3.34Å; P209-K212 PolarHBondContact O-N 3.36Å
210	W	84.5	Confident	82.6	Confident	10 Å²	10	70.5 Å²	70.5	4%	0.038	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-54.9	-27.9	176.6	-65.6	127.1	0	0	0	113.4	V191 M192 S193 A194 G195 I196 K212 I213 I216 C256 H259 H260	V191-W210 HydrophobicContact CG1-CH2 4.02Å; V191-W210 HydrophobicContact CG1-CZ2 3.91Å; M192-W210 WeakPolarHBondContact O-CZ2 3.31Å; M192-W210 PolarHBondContact O-NE1 3.39Å; S193-W210 VanDerWaalsContact O-CD1 3.25Å; S193-W210 PolarHBondContact O-NE1 3.16Å; S193-W210 VanDerWaalsContact O-NE1 3.07Å; A194-W210 VanDerWaalsContact O-CD1 3.31Å; A194-W210 PolarHBondContact O-N 3.1Å; G195-W210 VanDerWaalsContact N-NE1 3.19Å; I196-W210 HydrophobicContact CD1-CH2 4.07Å; I196-W210 HydrophobicContact CD1-CZ3 3.79Å; I196-W210 HydrophobicContact CG1-CE3 4.47Å; I196-W210 HydrophobicContact CG1-CH2 3.53Å; I196-W210 HydrophobicContact CG1-CZ2 4.41Å; I196-W210 HydrophobicContact CG1-CZ3 3.58Å; W210-K212 VanDerWaalsContact C-N 3.3Å; W210-K212 PolarHBondContact O-N 2.9Å; W210-I213 HydrophobicContact CE3-CD1 4.02Å; W210-I213 HydrophobicContact CZ3-CD1 4.29Å; W210-I213 PolarHBondContact O-N 3.33Å; W210-I216 HydrophobicContact CZ3-CD1 3.82Å; W210-C256 HydrophobicContact CH2-CB 3.95Å; W210-C256 HydrophobicContact CZ3-CB 4.29Å; W210-H259 HydrophobicContact CZ2-CB 4.11Å; W210-H260 HydrophobicContact CD2-CB 4.42Å; W210-H260 HydrophobicContact CE3-CB 4.36Å
211	L	78.1	Confident	82.7	Confident	135 Å²	135	71.7 Å²	71.7	71%	0.707	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64	-28.3	175.9	-74.2	161.5	0	0	0	114	P209	P209-L211 PolarHBondContact O-N 3.34Å
212	K	79.5	Confident	82.8	Confident	136 Å²	136	69.3 Å²	69.3	59%	0.591	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-91.8	-5.5	-177.9	-63.2	-166.6	177.6	-173.4	0	113.3	P209 W210 F227 V228	P209-K212 PolarHBondContact O-N 3.36Å; W210-K212 VanDerWaalsContact C-N 3.3Å; W210-K212 PolarHBondContact O-N 2.9Å; K212-F227 WeakPolarHBondContact O-CA 2.98Å; K212-V228 PolarHBondContact O-N 3.43Å
213	I	81.8	Confident	83.4	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.8	-173.1	-59.1	171	0	0	0	109.9	I196 F208 W210 I216 I225 F227	I196-I213 HydrophobicContact CD1-CD1 4.06Å; I196-I213 HydrophobicContact CG1-CD1 4.23Å; F208-I213 HydrophobicContact CB-CD1 4.05Å; F208-I213 HydrophobicContact CB-CG1 4.44Å; W210-I213 HydrophobicContact CE3-CD1 4.02Å; W210-I213 HydrophobicContact CZ3-CD1 4.29Å; W210-I213 PolarHBondContact O-N 3.33Å; I213-I216 HydrophobicContact CG2-CD1 4.07Å; I213-I216 HydrophobicContact CG2-CG1 3.58Å; I213-I225 HydrophobicContact CB-CG2 4.39Å; I213-I225 HydrophobicContact CD1-CG2 4.05Å; I213-I225 HydrophobicContact CG1-CG2 3.8Å; I213-I225 HydrophobicContact CG2-CG2 3.81Å; I213-F227 HydrophobicContact CG1-CD1 4.46Å; I213-F227 HydrophobicContact CG1-CE1 4.27Å
214	V	77.6	Confident	83.8	Confident	52 Å²	52	60.3 Å²	60.3	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-39.9	176.6	176.5	0	0	0	0	111.1	H226 V228 L342	V214-H226 PolarHBondContact N-O 3.14Å; V214-V228 HydrophobicContact CG2-CB 4.15Å; V214-V228 HydrophobicContact CG2-CG2 3.51Å; V214-L342 WeakPolarHBondContact O-CB 3.34Å; V214-L342 WeakPolarHBondContact O-CG 3.28Å
215	K	80.1	Confident	83.9	Confident	38 Å²	38	53.4 Å²	53.4	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	132.4	-167.7	168.1	152.5	-166.6	163.7	0	112.7	H226 S339 I340 S341	K215-H226 HydrophobicContact CB-CB 3.95Å; K215-H226 PolarHBondContact N-O 3.05Å; K215-H226 PolarHBondContact O-N 2.88Å; K215-H226 PolarHBondContact O-ND1 2.93Å; K215-H226 VanDerWaalsContact O-ND1 3.14Å; K215-S339 WeakPolarHBondContact CE-OG 3.37Å; K215-S339 PolarHBondContact NZ-OG 2.71Å; K215-I340 VanDerWaalsContact CD-O 3.22Å; K215-I340 WeakPolarHBondContact CD-O 3.41Å; K215-I340 WeakPolarHBondContact CE-O 3.45Å; K215-I340 WeakPolarHBondContact CG-O 3.44Å; K215-S341 PolarHBondContact NZ-OG 2.89Å; K215-S341 VanDerWaalsContact NZ-OG 3.16Å
216	I	87.3	Confident	83.7	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	172.9	-52.8	177.1	0	0	0	108.2	I196 W210 I213 F223 F224 C256 I340	I196-I216 HydrophobicContact CD1-CD1 3.96Å; W210-I216 HydrophobicContact CZ3-CD1 3.82Å; I213-I216 HydrophobicContact CG2-CD1 4.07Å; I213-I216 HydrophobicContact CG2-CG1 3.58Å; I216-F223 HydrophobicContact CG2-CD2 4.41Å; I216-F223 HydrophobicContact CG2-CE1 4.22Å; I216-F223 HydrophobicContact CG2-CE2 3.37Å; I216-F223 HydrophobicContact CG2-CZ 3.26Å; I216-F224 WeakPolarHBondContact CA-O 3.43Å; I216-C256 HydrophobicContact CD1-CB 3.9Å; I216-I340 WeakPolarHBondContact O-CG1 3.38Å
217	S	83.8	Confident	83.6	Confident	15 Å²	15	49.9 Å²	49.9	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.1	-179.8	69.4	0	0	0	0	111.2	F224 H226 N338	S217-F224 PolarHBondContact N-O 2.91Å; S217-F224 PolarHBondContact O-N 3.48Å; S217-H226 PolarHBondContact OG-CE1 3.17Å; S217-N338 WeakPolarHBondContact CB-O 3.41Å
218	F	85.9	Confident	82.7	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.2	174.3	75.3	-78.1	0	0	0	113	Q222 F223 Y246 C249 K250 W253 N338	F218-Q222 CarbonylContact C-O 3.55Å; F218-Q222 VanDerWaalsContact CA-O 3.27Å; F218-Q222 WeakPolarHBondContact CA-O 3.28Å; F218-Q222 WeakPolarHBondContact CB-O 3.42Å; F218-F223 HydrophobicContact CB-CD2 4.42Å; F218-Y246 HydrophobicContact CD2-CE2 4.46Å; F218-Y246 HydrophobicContact CE2-CD2 4.1Å; F218-Y246 AromaticContact CE2-CE2 3.6Å; F218-Y246 HydrophobicContact CE2-CE2 3.6Å; F218-Y246 HydrophobicContact CZ-CE2 4.42Å; F218-C249 VanDerWaalsContact CB-SG 3.51Å; F218-C249 HydrophobicContact CD2-CB 4.31Å; F218-K250 HydrophobicContact CE2-CB 3.92Å; F218-K250 HydrophobicContact CE2-CG 4.41Å; F218-K250 HydrophobicContact CZ-CB 3.87Å; F218-K250 HydrophobicContact CZ-CD 4.31Å; F218-K250 HydrophobicContact CZ-CG 3.88Å; F218-W253 HydrophobicContact CD1-CB 3.77Å; F218-W253 AromaticContact CD1-CD1 3.79Å; F218-W253 AromaticContact CD1-CD2 3.99Å; F218-W253 HydrophobicContact CD1-CD2 3.99Å; F218-W253 AromaticContact CD1-CG 3.54Å; F218-W253 HydrophobicContact CD1-CG 3.54Å; F218-W253 HydrophobicContact CE1-CB 4.05Å; F218-W253 AromaticContact CE1-CD2 3.7Å; F218-W253 HydrophobicContact CE1-CD2 3.7Å; F218-W253 AromaticContact CE1-CE3 3.94Å; F218-W253 HydrophobicContact CE1-CE3 3.94Å; F218-W253 AromaticContact CE1-CG 3.73Å; F218-W253 HydrophobicContact CE1-CG 3.73Å; F218-W253 HydrophobicContact CG-CB 4.48Å; F218-N338 HydrophobicContact CD1-CB 3.98Å; F218-N338 HydrophobicContact CE1-CB 3.6Å; F218-N338 HydrophobicContact CZ-CB 4.05Å; F218-N338 VanDerWaalsContact CZ-ND2 3.26Å; F218-N338 WeakPolarHBondContact CZ-ND2 3.32Å; F218-N338 PolarHBondContact N-O 3.38Å; F218-N338 VanDerWaalsContact N-O 3.12Å; F218-N338 PolarHBondContact O-N 2.06Å
219	K	80.9	Confident	81.2	Confident	97 Å²	97	52.6 Å²	52.6	42%	0.422	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	115.5	178.9	-167.9	-177.9	-179.6	-177.4	0	109.3	K221 Q222 F224 A337	K219-K221 PolarHBondContact O-N 3.44Å; K219-Q222 PolarHBondContact N-O 3.47Å; K219-Q222 PolarHBondContact O-N 2.95Å; K219-F224 HydrophobicContact CB-CE2 4.07Å; K219-A337 HydrophobicContact CG-CB 4.32Å
220	C	86.4	Confident	79.5	Confident	65 Å²	65	56.2 Å²	56.2	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-107	-176.6	-60	0	0	0	0	112.2	Y246	C220-Y246 WeakPolarHBondContact O-CA 3.43Å; C220-Y246 WeakPolarHBondContact O-CD2 3.34Å
221	K	86.4	Confident	77.7	Confident	105 Å²	105	65.5 Å²	65.5	46%	0.457	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-13.8	176.1	-64.9	-165.7	-178.4	-163.2	0	113.6	K219 M243 V244	K219-K221 PolarHBondContact O-N 3.44Å; K221-M243 VanDerWaalsContact O-CB 3.25Å; K221-M243 WeakPolarHBondContact O-CB 3.27Å; K221-M243 WeakPolarHBondContact O-CG 3.39Å; K221-M243 PolarHBondContact O-N 3.03Å; K221-V244 WeakPolarHBondContact CE-O 3.44Å; K221-V244 PolarHBondContact NZ-O 2.85Å
222	Q	82.6	Confident	76.1	Confident	95 Å²	95	63.5 Å²	63.5	44%	0.444	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.4	-175.4	-65.7	171.1	-46.8	0	0	111.2	F218 K219 F224 F241 C249	F218-Q222 CarbonylContact C-O 3.55Å; F218-Q222 VanDerWaalsContact CA-O 3.27Å; F218-Q222 WeakPolarHBondContact CA-O 3.28Å; F218-Q222 WeakPolarHBondContact CB-O 3.42Å; K219-Q222 PolarHBondContact N-O 3.47Å; K219-Q222 PolarHBondContact O-N 2.95Å; Q222-F224 HydrophobicContact CB-CD2 4.43Å; Q222-F224 HydrophobicContact CB-CE1 4.48Å; Q222-F224 HydrophobicContact CB-CE2 3.54Å; Q222-F224 HydrophobicContact CB-CZ 3.57Å; Q222-F224 HydrophobicContact CG-CZ 4.36Å; Q222-F241 CarbonylContact C-O 3.6Å; Q222-F241 VanDerWaalsContact CA-O 3.27Å; Q222-F241 WeakPolarHBondContact CA-O 3.16Å; Q222-C249 PolarHBondContact O-SG 2.96Å
223	F	88.8	Confident	74.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.2	174.9	-178.3	-102.9	0	0	0	108.7	I189 I196 I216 F218 I225 G240 F241 M243 L252 W253	I189-F223 HydrophobicContact CD1-CD1 4.45Å; I196-F223 HydrophobicContact CD1-CE1 4.45Å; I196-F223 HydrophobicContact CD1-CZ 4.41Å; I216-F223 HydrophobicContact CG2-CD2 4.41Å; I216-F223 HydrophobicContact CG2-CE1 4.22Å; I216-F223 HydrophobicContact CG2-CE2 3.37Å; I216-F223 HydrophobicContact CG2-CZ 3.26Å; F218-F223 HydrophobicContact CB-CD2 4.42Å; F223-I225 HydrophobicContact CD1-CG1 4.3Å; F223-I225 HydrophobicContact CE1-CD1 4.13Å; F223-I225 HydrophobicContact CE1-CG1 3.74Å; F223-G240 WeakPolarHBondContact O-CA 3.37Å; F223-F241 HydrophobicContact CD1-CD2 4.12Å; F223-F241 PolarHBondContact N-O 3.39Å; F223-F241 PolarHBondContact O-N 3Å; F223-M243 HydrophobicContact CB-CG 4.22Å; F223-L252 HydrophobicContact CB-CD2 4.33Å; F223-L252 HydrophobicContact CD1-CD2 3.7Å; F223-L252 HydrophobicContact CD2-CD2 3.88Å; F223-L252 HydrophobicContact CD2-CG 4.13Å; F223-L252 HydrophobicContact CE1-CD2 3.86Å; F223-L252 HydrophobicContact CE1-CG 4.26Å; F223-L252 HydrophobicContact CE2-CD2 4.03Å; F223-L252 HydrophobicContact CE2-CG 3.87Å; F223-L252 HydrophobicContact CG-CD2 3.71Å; F223-L252 HydrophobicContact CG-CG 4.44Å; F223-L252 HydrophobicContact CZ-CD2 4Å; F223-L252 HydrophobicContact CZ-CG 3.92Å; F223-W253 HydrophobicContact CD2-CB 4.45Å; F223-W253 HydrophobicContact CE2-CB 4.06Å
224	F	85.3	Confident	72.4	Confident	40 Å²	40	69.9 Å²	69.9	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.7	-171.9	-64.9	-77.7	0	0	0	111.7	I216 S217 K219 Q222 L238 L239	I216-F224 WeakPolarHBondContact CA-O 3.43Å; S217-F224 PolarHBondContact N-O 2.91Å; S217-F224 PolarHBondContact O-N 3.48Å; K219-F224 HydrophobicContact CB-CE2 4.07Å; Q222-F224 HydrophobicContact CB-CD2 4.43Å; Q222-F224 HydrophobicContact CB-CE1 4.48Å; Q222-F224 HydrophobicContact CB-CE2 3.54Å; Q222-F224 HydrophobicContact CB-CZ 3.57Å; Q222-F224 HydrophobicContact CG-CZ 4.36Å; F224-L238 HydrophobicContact CB-CD1 3.83Å; F224-L238 HydrophobicContact CD1-CD1 3.82Å; F224-L238 HydrophobicContact CD1-CD2 4.47Å; F224-L238 HydrophobicContact CD1-CG 4.26Å; F224-L238 HydrophobicContact CG-CD1 4.19Å; F224-L239 WeakPolarHBondContact CA-O 3.44Å
225	I	86.8	Confident	71.1	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.9	171.5	-51.2	-178.5	0	0	0	107.6	I196 F208 I213 F223 F227 L239 F241	I196-I225 HydrophobicContact CB-CD1 4.44Å; I196-I225 HydrophobicContact CD1-CD1 3.86Å; I196-I225 HydrophobicContact CD1-CG1 4.44Å; I196-I225 HydrophobicContact CG2-CD1 4.11Å; F208-I225 HydrophobicContact CD2-CD1 4.16Å; I213-I225 HydrophobicContact CB-CG2 4.39Å; I213-I225 HydrophobicContact CD1-CG2 4.05Å; I213-I225 HydrophobicContact CG1-CG2 3.8Å; I213-I225 HydrophobicContact CG2-CG2 3.81Å; F223-I225 HydrophobicContact CD1-CG1 4.3Å; F223-I225 HydrophobicContact CE1-CD1 4.13Å; F223-I225 HydrophobicContact CE1-CG1 3.74Å; I225-F227 HydrophobicContact CB-CZ 4.21Å; I225-F227 HydrophobicContact CG2-CD1 4.25Å; I225-F227 HydrophobicContact CG2-CE1 3.61Å; I225-F227 HydrophobicContact CG2-CE2 4.43Å; I225-F227 HydrophobicContact CG2-CZ 3.72Å; I225-L239 PolarHBondContact N-O 2.86Å; I225-L239 PolarHBondContact O-N 2.87Å; I225-F241 HydrophobicContact CD1-CE2 3.81Å; I225-F241 HydrophobicContact CG1-CE2 4.26Å
226	H	80.4	Confident	69.8	Low	53 Å²	53	80.4 Å²	80.4	25%	0.245	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.7	174.3	-54.3	56.3	0	0	0	108.5	V214 K215 S217 T237 L238	V214-H226 PolarHBondContact N-O 3.14Å; K215-H226 HydrophobicContact CB-CB 3.95Å; K215-H226 PolarHBondContact N-O 3.05Å; K215-H226 PolarHBondContact O-N 2.88Å; K215-H226 PolarHBondContact O-ND1 2.93Å; K215-H226 VanDerWaalsContact O-ND1 3.14Å; S217-H226 PolarHBondContact OG-CE1 3.17Å; H226-T237 WeakPolarHBondContact CA-O 3.43Å; H226-L238 VanDerWaalsContact CE1-CD1 3.44Å; H226-L238 WeakPolarHBondContact CE1-CD1 3.46Å
227	F	80.2	Confident	68.8	Low	41 Å²	41	83.3 Å²	83.3	18%	0.18	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	163.9	-179.4	-59	-68.7	0	0	0	112	F208 K212 I213 I225 T229 T237 L239	F208-F227 HydrophobicContact CB-CE1 4.11Å; F208-F227 AromaticContact CD1-CE1 3.47Å; F208-F227 HydrophobicContact CD1-CE1 3.47Å; F208-F227 VanDerWaalsContact CD1-CE1 3.47Å; F208-F227 AromaticContact CD1-CZ 3.43Å; F208-F227 HydrophobicContact CD1-CZ 3.43Å; F208-F227 VanDerWaalsContact CD1-CZ 3.43Å; F208-F227 HydrophobicContact CE1-CE1 4.09Å; F208-F227 HydrophobicContact CE1-CE2 4.42Å; F208-F227 AromaticContact CE1-CZ 3.57Å; F208-F227 HydrophobicContact CE1-CZ 3.57Å; F208-F227 AromaticContact CG-CE1 3.9Å; F208-F227 HydrophobicContact CG-CE1 3.9Å; F208-F227 AromaticContact CG-CZ 3.95Å; F208-F227 HydrophobicContact CG-CZ 3.95Å; F208-F227 HydrophobicContact CZ-CZ 4.18Å; K212-F227 WeakPolarHBondContact O-CA 2.98Å; I213-F227 HydrophobicContact CG1-CD1 4.46Å; I213-F227 HydrophobicContact CG1-CE1 4.27Å; I225-F227 HydrophobicContact CB-CZ 4.21Å; I225-F227 HydrophobicContact CG2-CD1 4.25Å; I225-F227 HydrophobicContact CG2-CE1 3.61Å; I225-F227 HydrophobicContact CG2-CE2 4.43Å; I225-F227 HydrophobicContact CG2-CZ 3.72Å; F227-T229 PolarHBondContact O-N 3.29Å; F227-T237 PolarHBondContact N-O 2.7Å; F227-L239 HydrophobicContact CE2-CB 3.72Å; F227-L239 HydrophobicContact CE2-CD2 4.32Å; F227-L239 HydrophobicContact CZ-CB 4.28Å; F227-L239 HydrophobicContact CZ-CD2 4.27Å
228	V	68.2	Low	68.6	Low	82 Å²	82	86 Å²	86	50%	0.497	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-66.7	121.4	170.5	-178.1	0	0	0	0	108.7	K212 V214 V230	K212-V228 PolarHBondContact O-N 3.43Å; V214-V228 HydrophobicContact CG2-CB 4.15Å; V214-V228 HydrophobicContact CG2-CG2 3.51Å; V228-V230 PolarHBondContact O-N 2.84Å
229	T	56.4	Low	68.4	Low	96 Å²	96	87.3 Å²	87.3	59%	0.589	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-75.6	116.5	173.9	-49.4	0	0	0	0	109.8	F227 T237	F227-T229 PolarHBondContact O-N 3.29Å; T229-T237 HydrophobicContact CG2-CG2 4.01Å; T229-T237 WeakPolarHBondContact OG1-CG2 3.49Å
230	V	49.4	Very low	68.6	Low	104 Å²	104	83.6 Å²	83.6	63%	0.63	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-94.6	132.4	167.3	-175.7	0	0	0	0	107.9	V228 A232 E233	V228-V230 PolarHBondContact O-N 2.84Å; V230-A232 PolarHBondContact O-N 3.46Å; V230-E233 PolarHBondContact O-N 3.5Å
231	Q	45.7	Very low	68.7	Low	206 Å²	206	81 Å²	81	96%	0.963	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	20.6	-170	-75	-172.8	-17	0	0	116.1
232	A	44.4	Very low	68.7	Low	92 Å²	92	79 Å²	79	76%	0.76	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-8.7	-178.3	0	0	0	0	0	115.5	V230	V230-A232 PolarHBondContact O-N 3.46Å
233	E	43.8	Very low	68.8	Low	121 Å²	121	74.6 Å²	74.6	57%	0.565	40%	0.4	S	S	*	.			trans	-116.1	125	179.4	-72	-160.4	155.4	0	0	113.1	V230 R235	V230-E233 PolarHBondContact O-N 3.5Å; E233-R235 PolarHBondContact O-N 3.35Å; E233-R235 IonicContact OE1-NH1 3.45Å; E233-R235 PolarHBondContact OE1-NH1 3.44Å; E233-R235 WeakPolarHBondContact OE2-CD 3.36Å; E233-R235 IonicContact OE2-NH1 3.66Å
234	T	39.8	Very low	68.5	Low	157 Å²	157	79.1 Å²	79.1	96%	0.963	43%	0.427	S	S	*	.			trans	-78.8	34.8	172.6	46.7	0	0	0	0	113.3
235	R	50.6	Low	68.3	Low	181 Å²	181	80.3 Å²	80.3	68%	0.683	44%	0.435	S	S	*	.	S	Bend	trans	-92.2	151.2	179	-76.4	-177.9	166.1	157.7	-6.5	111.9	E233 T237	E233-R235 PolarHBondContact O-N 3.35Å; E233-R235 IonicContact OE1-NH1 3.45Å; E233-R235 PolarHBondContact OE1-NH1 3.44Å; E233-R235 WeakPolarHBondContact OE2-CD 3.36Å; E233-R235 IonicContact OE2-NH1 3.66Å; R235-T237 PolarHBondContact O-N 2.83Å
236	E	52.9	Low	68	Low	130 Å²	130	85.5 Å²	85.5	61%	0.607	46%	0.456	S	S	*	.			trans	-57.7	108.5	-175.9	-65.3	-171.1	158.3	0	0	111.6	Q182 L238	Q182-E236 PolarHBondContact NE2-OE2 2.82Å; E236-L238 PolarHBondContact O-N 3.29Å; E236-L238 VanDerWaalsContact O-N 3.14Å
237	T	66.9	Low	67.9	Low	67 Å²	67	89.7 Å²	89.7	41%	0.411	47%	0.469	S	S	.	.	S	Bend	trans	-70.9	-4	178.1	53.8	0	0	0	0	113.5	H226 F227 T229 R235	H226-T237 WeakPolarHBondContact CA-O 3.43Å; F227-T237 PolarHBondContact N-O 2.7Å; T229-T237 HydrophobicContact CG2-CG2 4.01Å; T229-T237 WeakPolarHBondContact OG1-CG2 3.49Å; R235-T237 PolarHBondContact O-N 2.83Å
238	L	77.9	Confident	67.9	Low	70 Å²	70	88.2 Å²	88.2	37%	0.366	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	112.3	-174.3	174.5	59.7	0	0	0	110.2	F224 H226 E236	F224-L238 HydrophobicContact CB-CD1 3.83Å; F224-L238 HydrophobicContact CD1-CD1 3.82Å; F224-L238 HydrophobicContact CD1-CD2 4.47Å; F224-L238 HydrophobicContact CD1-CG 4.26Å; F224-L238 HydrophobicContact CG-CD1 4.19Å; H226-L238 VanDerWaalsContact CE1-CD1 3.44Å; H226-L238 WeakPolarHBondContact CE1-CD1 3.46Å; E236-L238 PolarHBondContact O-N 3.29Å; E236-L238 VanDerWaalsContact O-N 3.14Å
239	L	82.9	Confident	68.6	Low	31 Å²	31	84.3 Å²	84.3	16%	0.162	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.7	175.6	-176.2	61.8	0	0	0	110.8	F208 F224 I225 F227 F241	F208-L239 HydrophobicContact CE1-CD2 4.13Å; F208-L239 HydrophobicContact CE2-CD2 3.7Å; F208-L239 HydrophobicContact CZ-CD2 3.32Å; F224-L239 WeakPolarHBondContact CA-O 3.44Å; I225-L239 PolarHBondContact N-O 2.86Å; I225-L239 PolarHBondContact O-N 2.87Å; F227-L239 HydrophobicContact CE2-CB 3.72Å; F227-L239 HydrophobicContact CE2-CD2 4.32Å; F227-L239 HydrophobicContact CZ-CB 4.28Å; F227-L239 HydrophobicContact CZ-CD2 4.27Å; L239-F241 HydrophobicContact CD1-CZ 4.44Å; L239-F241 HydrophobicContact CD2-CE1 4.28Å; L239-F241 HydrophobicContact CD2-CE2 3.76Å; L239-F241 HydrophobicContact CD2-CZ 3.38Å; L239-F241 HydrophobicContact CG-CE1 4.32Å; L239-F241 HydrophobicContact CG-CE2 3.75Å; L239-F241 HydrophobicContact CG-CZ 3.66Å
240	G	84.6	Confident	69.8	Low	19 Å²	19	84.2 Å²	84.2	20%	0.196	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136	-179.8	0	0	0	0	0	113.4	F223	F223-G240 WeakPolarHBondContact O-CA 3.37Å
241	F	87.9	Confident	71.3	Confident	11 Å²	11	81.6 Å²	81.6	5%	0.048	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.2	174.8	-58.2	-77.4	0	0	0	110.9	I187 I189 V198 F208 Q222 F223 I225 L239	I187-F241 HydrophobicContact CD1-CD1 3.44Å; I187-F241 VanDerWaalsContact CD1-CD1 3.44Å; I187-F241 HydrophobicContact CD1-CE1 3.68Å; I187-F241 HydrophobicContact CD1-CG 4.49Å; I189-F241 HydrophobicContact CD1-CB 3.79Å; I189-F241 HydrophobicContact CD1-CD1 4.17Å; I189-F241 HydrophobicContact CD1-CD2 3.85Å; I189-F241 HydrophobicContact CD1-CE2 4.4Å; I189-F241 HydrophobicContact CD1-CG 3.68Å; V198-F241 HydrophobicContact CG2-CE1 4.05Å; V198-F241 HydrophobicContact CG2-CZ 3.72Å; F208-F241 HydrophobicContact CE2-CZ 4.32Å; Q222-F241 CarbonylContact C-O 3.6Å; Q222-F241 VanDerWaalsContact CA-O 3.27Å; Q222-F241 WeakPolarHBondContact CA-O 3.16Å; F223-F241 HydrophobicContact CD1-CD2 4.12Å; F223-F241 PolarHBondContact N-O 3.39Å; F223-F241 PolarHBondContact O-N 3Å; I225-F241 HydrophobicContact CD1-CE2 3.81Å; I225-F241 HydrophobicContact CG1-CE2 4.26Å; L239-F241 HydrophobicContact CD1-CZ 4.44Å; L239-F241 HydrophobicContact CD2-CE1 4.28Å; L239-F241 HydrophobicContact CD2-CE2 3.76Å; L239-F241 HydrophobicContact CD2-CZ 3.38Å; L239-F241 HydrophobicContact CG-CE1 4.32Å; L239-F241 HydrophobicContact CG-CE2 3.75Å; L239-F241 HydrophobicContact CG-CZ 3.66Å
242	N	86.3	Confident	73.2	Confident	62 Å²	62	71.8 Å²	71.8	33%	0.332	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.8	-179.7	-169.6	20.5	0	0	0	111.3	A179 R180	A179-N242 CarbonylContact C-O 3.23Å; A179-N242 WeakPolarHBondContact CA-O 3.41Å; R180-N242 PolarHBondContact N-O 3.35Å; R180-N242 PolarHBondContact O-N 2.89Å
243	M	86.1	Confident	75.2	Confident	4 Å²	4	69 Å²	69	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	154.5	-178.6	-53.9	-64.6	-67.5	0	0	111.3	H177 Y178 A179 I189 K221 F223 N245 A248 C249 L252	H177-M243 HydrophobicContact CB-CE 4.03Å; Y178-M243 VanDerWaalsContact O-CE 3.29Å; Y178-M243 WeakPolarHBondContact O-CE 3.41Å; A179-M243 HydrophobicContact CB-CE 4.46Å; A179-M243 HydrophobicContact CB-SD 3.53Å; A179-M243 VanDerWaalsContact CB-SD 3.53Å; I189-M243 HydrophobicContact CD1-SD 4.22Å; K221-M243 VanDerWaalsContact O-CB 3.25Å; K221-M243 WeakPolarHBondContact O-CB 3.27Å; K221-M243 WeakPolarHBondContact O-CG 3.39Å; K221-M243 PolarHBondContact O-N 3.03Å; F223-M243 HydrophobicContact CB-CG 4.22Å; M243-N245 PolarHBondContact O-N 3Å; M243-N245 VanDerWaalsContact O-N 3.12Å; M243-A248 HydrophobicContact CE-CB 4.4Å; M243-C249 HydrophobicContact CB-CB 3.83Å; M243-C249 HydrophobicContact CG-CB 3.65Å; M243-L252 HydrophobicContact CE-CB 4.02Å; M243-L252 HydrophobicContact CE-CD2 3.66Å; M243-L252 HydrophobicContact CE-CG 4.48Å; M243-L252 HydrophobicContact SD-CD2 3.69Å
244	V	81.6	Confident	77	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.576	33%	0.327	S	S	*	.	S	Bend	trans	-52.7	-40.5	179.9	-172.6	0	0	0	0	112.3	K221	K221-V244 WeakPolarHBondContact CE-O 3.44Å; K221-V244 PolarHBondContact NZ-O 2.85Å
245	N	82.2	Confident	79.2	Confident	64 Å²	64	59.3 Å²	59.3	34%	0.342	28%	0.282	S	S	.	.	S	Bend	trans	-155.3	167.9	177.1	63.6	68	0	0	0	112.7	M243 R247 A248 C249	M243-N245 PolarHBondContact O-N 3Å; M243-N245 VanDerWaalsContact O-N 3.12Å; N245-R247 VanDerWaalsContact C-N 3.26Å; N245-R247 PolarHBondContact O-N 2.91Å; N245-R247 WeakPolarHBondContact OD1-CA 3.23Å; N245-R247 WeakPolarHBondContact OD1-CB 3.39Å; N245-R247 PolarHBondContact OD1-N 3.03Å; N245-A248 PolarHBondContact O-N 2.6Å; N245-A248 PolarHBondContact OD1-N 2.99Å; N245-C249 PolarHBondContact O-N 3.11Å
246	Y	80.3	Confident	80.8	Confident	110 Å²	110	50.7 Å²	50.7	43%	0.431	25%	0.25	S	C	.	.	H	α-helix	trans	-56.4	-35.4	178.9	167.5	-90	0	0	0	113.5	F218 C220 C249 K250	F218-Y246 HydrophobicContact CD2-CE2 4.46Å; F218-Y246 HydrophobicContact CE2-CD2 4.1Å; F218-Y246 AromaticContact CE2-CE2 3.6Å; F218-Y246 HydrophobicContact CE2-CE2 3.6Å; F218-Y246 HydrophobicContact CZ-CE2 4.42Å; C220-Y246 WeakPolarHBondContact O-CA 3.43Å; C220-Y246 WeakPolarHBondContact O-CD2 3.34Å; Y246-C249 PolarHBondContact O-N 2.89Å; Y246-K250 HydrophobicContact CE1-CD 4.11Å; Y246-K250 WeakPolarHBondContact O-CB 3.32Å; Y246-K250 PolarHBondContact O-N 3.28Å
247	R	77.9	Confident	82.2	Confident	140 Å²	140	46 Å²	46	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-70.3	-42.5	179.6	-179.3	-179.4	-74.5	158.9	-2.2	110.9	N245 C249 K250 N251	N245-R247 VanDerWaalsContact C-N 3.26Å; N245-R247 PolarHBondContact O-N 2.91Å; N245-R247 WeakPolarHBondContact OD1-CA 3.23Å; N245-R247 WeakPolarHBondContact OD1-CB 3.39Å; N245-R247 PolarHBondContact OD1-N 3.03Å; R247-C249 VanDerWaalsContact C-N 3.32Å; R247-C249 PolarHBondContact O-N 2.95Å; R247-K250 PolarHBondContact O-N 3.2Å; R247-N251 WeakPolarHBondContact O-CB 3.25Å; R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 PolarHBondContact O-OD1 2.98Å
248	A	80.3	Confident	82.9	Confident	10 Å²	10	45.2 Å²	45.2	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-43	173.3	0	0	0	0	0	111.5	M243 N245 N251 L252	M243-A248 HydrophobicContact CE-CB 4.4Å; N245-A248 PolarHBondContact O-N 2.6Å; N245-A248 PolarHBondContact OD1-N 2.99Å; A248-N251 PolarHBondContact O-N 2.65Å; A248-L252 PolarHBondContact O-N 3.22Å
249	C	83.3	Confident	83.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-45.5	175.7	-162.1	0	0	0	0	113	F218 Q222 M243 N245 Y246 R247 N251 L252 W253	F218-C249 VanDerWaalsContact CB-SG 3.51Å; F218-C249 HydrophobicContact CD2-CB 4.31Å; Q222-C249 PolarHBondContact O-SG 2.96Å; M243-C249 HydrophobicContact CB-CB 3.83Å; M243-C249 HydrophobicContact CG-CB 3.65Å; N245-C249 PolarHBondContact O-N 3.11Å; Y246-C249 PolarHBondContact O-N 2.89Å; R247-C249 VanDerWaalsContact C-N 3.32Å; R247-C249 PolarHBondContact O-N 2.95Å; C249-N251 VanDerWaalsContact C-N 3.32Å; C249-N251 PolarHBondContact O-N 2.89Å; C249-L252 PolarHBondContact O-N 3.39Å; C249-W253 WeakPolarHBondContact O-CB 3.4Å; C249-W253 PolarHBondContact O-N 2.91Å
250	K	80.1	Confident	82.9	Confident	94 Å²	94	42.6 Å²	42.6	41%	0.409	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-34.1	174.8	-174.6	169.3	-173.3	165	0	112.9	F218 Y246 R247 K254	F218-K250 HydrophobicContact CE2-CB 3.92Å; F218-K250 HydrophobicContact CE2-CG 4.41Å; F218-K250 HydrophobicContact CZ-CB 3.87Å; F218-K250 HydrophobicContact CZ-CD 4.31Å; F218-K250 HydrophobicContact CZ-CG 3.88Å; Y246-K250 HydrophobicContact CE1-CD 4.11Å; Y246-K250 WeakPolarHBondContact O-CB 3.32Å; Y246-K250 PolarHBondContact O-N 3.28Å; R247-K250 PolarHBondContact O-N 3.2Å; K250-K254 VanDerWaalsContact O-CB 3.29Å; K250-K254 WeakPolarHBondContact O-CB 3.3Å; K250-K254 PolarHBondContact O-N 3.46Å
251	N	82.4	Confident	82.4	Confident	50 Å²	50	44 Å²	44	27%	0.267	21%	0.211	S	C	.	.	H	α-helix	trans	-68.2	-49.3	176.2	-73.3	2.6	0	0	0	110.9	R247 A248 C249 W253 K254 A255	R247-N251 WeakPolarHBondContact O-CB 3.25Å; R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 PolarHBondContact O-OD1 2.98Å; A248-N251 PolarHBondContact O-N 2.65Å; C249-N251 VanDerWaalsContact C-N 3.32Å; C249-N251 PolarHBondContact O-N 2.89Å; N251-W253 PolarHBondContact O-N 3.16Å; N251-K254 PolarHBondContact O-N 2.85Å; N251-K254 VanDerWaalsContact O-N 3.16Å; N251-A255 WeakPolarHBondContact O-CB 3.25Å; N251-A255 PolarHBondContact O-N 3.03Å
252	L	85.2	Confident	81.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-48.7	174.3	169.9	63.8	0	0	0	111.2	H177 I189 V191 F223 M243 A248 C249 K254 A255 C256	H177-L252 HydrophobicContact CB-CB 4.4Å; H177-L252 HydrophobicContact CB-CD1 4.26Å; H177-L252 WeakPolarHBondContact CD2-CD1 3.46Å; I189-L252 HydrophobicContact CB-CD1 4.42Å; I189-L252 HydrophobicContact CB-CD2 4.31Å; I189-L252 HydrophobicContact CD1-CD2 3.79Å; I189-L252 HydrophobicContact CG2-CD1 3.81Å; I189-L252 HydrophobicContact CG2-CD2 4.12Å; V191-L252 HydrophobicContact CG2-CD1 3.68Å; F223-L252 HydrophobicContact CB-CD2 4.33Å; F223-L252 HydrophobicContact CD1-CD2 3.7Å; F223-L252 HydrophobicContact CD2-CD2 3.88Å; F223-L252 HydrophobicContact CD2-CG 4.13Å; F223-L252 HydrophobicContact CE1-CD2 3.86Å; F223-L252 HydrophobicContact CE1-CG 4.26Å; F223-L252 HydrophobicContact CE2-CD2 4.03Å; F223-L252 HydrophobicContact CE2-CG 3.87Å; F223-L252 HydrophobicContact CG-CD2 3.71Å; F223-L252 HydrophobicContact CG-CG 4.44Å; F223-L252 HydrophobicContact CZ-CD2 4Å; F223-L252 HydrophobicContact CZ-CG 3.92Å; M243-L252 HydrophobicContact CE-CB 4.02Å; M243-L252 HydrophobicContact CE-CD2 3.66Å; M243-L252 HydrophobicContact CE-CG 4.48Å; M243-L252 HydrophobicContact SD-CD2 3.69Å; A248-L252 PolarHBondContact O-N 3.22Å; C249-L252 PolarHBondContact O-N 3.39Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 2.94Å; L252-A255 PolarHBondContact O-N 2.98Å; L252-C256 PolarHBondContact O-N 3.11Å; L252-C256 PolarHBondContact O-SG 3.06Å
253	W	86.6	Confident	81	Confident	33 Å²	33	45.1 Å²	45.1	13%	0.125	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-43.9	175.6	176.3	83.5	0	0	0	112.3	F218 F223 C249 N251 C256 V257 I340	F218-W253 HydrophobicContact CD1-CB 3.77Å; F218-W253 AromaticContact CD1-CD1 3.79Å; F218-W253 AromaticContact CD1-CD2 3.99Å; F218-W253 HydrophobicContact CD1-CD2 3.99Å; F218-W253 AromaticContact CD1-CG 3.54Å; F218-W253 HydrophobicContact CD1-CG 3.54Å; F218-W253 HydrophobicContact CE1-CB 4.05Å; F218-W253 AromaticContact CE1-CD2 3.7Å; F218-W253 HydrophobicContact CE1-CD2 3.7Å; F218-W253 AromaticContact CE1-CE3 3.94Å; F218-W253 HydrophobicContact CE1-CE3 3.94Å; F218-W253 AromaticContact CE1-CG 3.73Å; F218-W253 HydrophobicContact CE1-CG 3.73Å; F218-W253 HydrophobicContact CG-CB 4.48Å; F223-W253 HydrophobicContact CD2-CB 4.45Å; F223-W253 HydrophobicContact CE2-CB 4.06Å; C249-W253 WeakPolarHBondContact O-CB 3.4Å; C249-W253 PolarHBondContact O-N 2.91Å; N251-W253 PolarHBondContact O-N 3.16Å; W253-C256 PolarHBondContact O-N 3.18Å; W253-V257 HydrophobicContact CD2-CG2 4.27Å; W253-V257 HydrophobicContact CH2-CG2 4.48Å; W253-V257 HydrophobicContact CZ2-CG2 3.98Å; W253-V257 WeakPolarHBondContact O-CG2 3.41Å; W253-V257 PolarHBondContact O-N 3.5Å; W253-I340 HydrophobicContact CZ2-CD1 4.04Å; W253-I340 HydrophobicContact CZ2-CG1 4.33Å; W253-I340 HydrophobicContact CZ2-CG2 3.98Å
254	K	82.1	Confident	79.9	Confident	71 Å²	71	50 Å²	50	31%	0.309	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-43	176.4	-175	179.3	170.5	-173.7	0	111.4	D40 K250 N251 L252 V257 E258	D40-K254 IonicContact OD2-NZ 3.72Å; K250-K254 VanDerWaalsContact O-CB 3.29Å; K250-K254 WeakPolarHBondContact O-CB 3.3Å; K250-K254 PolarHBondContact O-N 3.46Å; N251-K254 PolarHBondContact O-N 2.85Å; N251-K254 VanDerWaalsContact O-N 3.16Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 2.94Å; K254-V257 PolarHBondContact O-N 2.88Å; K254-E258 WeakPolarHBondContact CE-OE1 3.2Å; K254-E258 HydrophobicContact CG-CG 4.3Å; K254-E258 IonicContact NZ-OE1 3.89Å; K254-E258 PolarHBondContact NZ-OE1 3.49Å; K254-E258 WeakPolarHBondContact O-CB 3.39Å; K254-E258 WeakPolarHBondContact O-CG 3.49Å; K254-E258 PolarHBondContact O-N 3.45Å
255	A	84	Confident	78.4	Confident	4 Å²	4	50 Å²	50	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-45.5	177.5	0	0	0	0	0	111.6	V191 N251 L252 V257 E258 H259	V191-A255 HydrophobicContact CG2-CB 4.37Å; N251-A255 WeakPolarHBondContact O-CB 3.25Å; N251-A255 PolarHBondContact O-N 3.03Å; L252-A255 PolarHBondContact O-N 2.98Å; A255-V257 PolarHBondContact O-N 3.19Å; A255-E258 PolarHBondContact O-N 3.01Å; A255-H259 WeakPolarHBondContact O-CB 3.45Å; A255-H259 PolarHBondContact O-N 2.7Å; A255-H259 PolarHBondContact O-ND1 3.4Å
256	C	85.9	Confident	76.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-45.3	175.4	-65.1	0	0	0	0	112.5	V191 W210 I216 L252 W253 H260	V191-C256 VanDerWaalsContact CG2-SG 3.57Å; W210-C256 HydrophobicContact CH2-CB 3.95Å; W210-C256 HydrophobicContact CZ3-CB 4.29Å; I216-C256 HydrophobicContact CD1-CB 3.9Å; L252-C256 PolarHBondContact O-N 3.11Å; L252-C256 PolarHBondContact O-SG 3.06Å; W253-C256 PolarHBondContact O-N 3.18Å; C256-H260 VanDerWaalsContact O-CB 3.24Å; C256-H260 WeakPolarHBondContact O-CB 3.23Å; C256-H260 PolarHBondContact O-N 3.49Å
257	V	81.6	Confident	74	Confident	30 Å²	30	57.5 Å²	57.5	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-46.5	177.7	171.5	0	0	0	0	111	W253 K254 A255 T261 I340	W253-V257 HydrophobicContact CD2-CG2 4.27Å; W253-V257 HydrophobicContact CH2-CG2 4.48Å; W253-V257 HydrophobicContact CZ2-CG2 3.98Å; W253-V257 WeakPolarHBondContact O-CG2 3.41Å; W253-V257 PolarHBondContact O-N 3.5Å; K254-V257 PolarHBondContact O-N 2.88Å; A255-V257 PolarHBondContact O-N 3.19Å; V257-T261 WeakPolarHBondContact O-CB 3.4Å; V257-T261 PolarHBondContact O-N 3Å; V257-T261 PolarHBondContact O-OG1 3.42Å; V257-I340 HydrophobicContact CG2-CD1 3.53Å
258	E	81.4	Confident	71.7	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-42.8	179.7	-73.6	-176.8	155.3	0	0	111.8	K62 F63 K254 A255 F262	K62-E258 VanDerWaalsContact CE-OE2 3.3Å; K62-E258 WeakPolarHBondContact CE-OE2 3.49Å; K62-E258 IonicContact NZ-OE1 3.51Å; K62-E258 PolarHBondContact NZ-OE1 3.31Å; K62-E258 IonicContact NZ-OE2 2.68Å; K62-E258 PolarHBondContact NZ-OE2 3.19Å; F63-E258 HydrophobicContact CE1-CB 4.17Å; F63-E258 HydrophobicContact CZ-CB 4.14Å; K254-E258 WeakPolarHBondContact CE-OE1 3.2Å; K254-E258 HydrophobicContact CG-CG 4.3Å; K254-E258 IonicContact NZ-OE1 3.89Å; K254-E258 PolarHBondContact NZ-OE1 3.49Å; K254-E258 WeakPolarHBondContact O-CB 3.39Å; K254-E258 WeakPolarHBondContact O-CG 3.49Å; K254-E258 PolarHBondContact O-N 3.45Å; A255-E258 PolarHBondContact O-N 3.01Å; E258-F262 WeakPolarHBondContact O-CB 3.08Å; E258-F262 PolarHBondContact O-N 3.19Å
259	H	81.7	Confident	69.2	Low	4 Å²	4	58 Å²	58	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-47.2	176.4	-78.1	79.4	0	0	0	112.6	F63 E175 V191 W210 A255 T261 F262 F263	F63-H259 AromaticContact CD1-CD2 3.9Å; F63-H259 AromaticContact CD1-NE2 3.89Å; E175-H259 IonicContact OE2-CE1 2.71Å; V191-H259 HydrophobicContact CG1-CB 3.86Å; W210-H259 HydrophobicContact CZ2-CB 4.11Å; A255-H259 WeakPolarHBondContact O-CB 3.45Å; A255-H259 PolarHBondContact O-N 2.7Å; A255-H259 PolarHBondContact O-ND1 3.4Å; H259-T261 PolarHBondContact O-N 3.36Å; H259-F262 PolarHBondContact O-N 3.28Å; H259-F263 AromaticContact CD2-CE2 3.98Å; H259-F263 WeakPolarHBondContact O-CD2 3.5Å; H259-F263 PolarHBondContact O-N 3.07Å
260	H	78.6	Confident	66.7	Low	41 Å²	41	62.7 Å²	62.7	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-45.8	177.8	177.2	-85.8	0	0	0	111.5	W210 C256 R264	W210-H260 HydrophobicContact CD2-CB 4.42Å; W210-H260 HydrophobicContact CE3-CB 4.36Å; C256-H260 VanDerWaalsContact O-CB 3.24Å; C256-H260 WeakPolarHBondContact O-CB 3.23Å; C256-H260 PolarHBondContact O-N 3.49Å; H260-R264 PolarHBondContact NE2-NH1 2.7Å; H260-R264 VanDerWaalsContact O-CB 3.31Å; H260-R264 WeakPolarHBondContact O-CB 3.07Å; H260-R264 PolarHBondContact O-N 3.44Å
261	T	74.2	Confident	64.5	Low	48 Å²	48	60.8 Å²	60.8	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-48.4	176.5	-60.2	0	0	0	0	111.1	V257 H259 L265	V257-T261 WeakPolarHBondContact O-CB 3.4Å; V257-T261 PolarHBondContact O-N 3Å; V257-T261 PolarHBondContact O-OG1 3.42Å; H259-T261 PolarHBondContact O-N 3.36Å; T261-L265 HydrophobicContact CG2-CD1 3.64Å; T261-L265 HydrophobicContact CG2-CG 4.25Å; T261-L265 WeakPolarHBondContact O-CB 3.49Å; T261-L265 WeakPolarHBondContact O-CG 3.38Å; T261-L265 PolarHBondContact O-N 3.34Å
262	F	74.6	Confident	61.9	Low	35 Å²	35	66.2 Å²	66.2	15%	0.154	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-40.1	-175.2	-176.7	-98.6	0	0	0	113.6	D22 Y23 F63 E258 H259	D22-F262 HydrophobicContact CB-CE2 3.8Å; D22-F262 HydrophobicContact CB-CZ 4.46Å; Y23-F262 AromaticContact CD1-CE1 3.65Å; Y23-F262 HydrophobicContact CD1-CE1 3.65Å; Y23-F262 AromaticContact CD1-CZ 3.48Å; Y23-F262 HydrophobicContact CD1-CZ 3.48Å; Y23-F262 VanDerWaalsContact CD1-CZ 3.48Å; Y23-F262 HydrophobicContact CD2-CZ 4.43Å; Y23-F262 AromaticContact CE1-CE1 3.4Å; Y23-F262 HydrophobicContact CE1-CE1 3.4Å; Y23-F262 AromaticContact CE1-CZ 3.32Å; Y23-F262 HydrophobicContact CE1-CZ 3.32Å; Y23-F262 HydrophobicContact CE2-CZ 4.3Å; Y23-F262 HydrophobicContact CG-CZ 4.03Å; Y23-F262 AromaticContact CZ-CZ 3.74Å; F63-F262 HydrophobicContact CB-CD1 3.56Å; F63-F262 HydrophobicContact CB-CE1 3.37Å; F63-F262 HydrophobicContact CB-CG 4.37Å; F63-F262 HydrophobicContact CB-CZ 4.06Å; F63-F262 HydrophobicContact CD1-CB 4.21Å; F63-F262 AromaticContact CD1-CD1 3.94Å; F63-F262 HydrophobicContact CD1-CD1 3.94Å; F63-F262 HydrophobicContact CD1-CG 4.09Å; F63-F262 HydrophobicContact CD2-CB 4.41Å; F63-F262 AromaticContact CD2-CD1 3.7Å; F63-F262 HydrophobicContact CD2-CD1 3.7Å; F63-F262 AromaticContact CD2-CD2 3.67Å; F63-F262 HydrophobicContact CD2-CD2 3.67Å; F63-F262 AromaticContact CD2-CE1 3.76Å; F63-F262 HydrophobicContact CD2-CE1 3.76Å; F63-F262 AromaticContact CD2-CE2 3.73Å; F63-F262 HydrophobicContact CD2-CE2 3.73Å; F63-F262 AromaticContact CD2-CG 3.64Å; F63-F262 HydrophobicContact CD2-CG 3.64Å; F63-F262 AromaticContact CD2-CZ 3.77Å; F63-F262 HydrophobicContact CD2-CZ 3.77Å; F63-F262 HydrophobicContact CE1-CB 3.99Å; F63-F262 HydrophobicContact CE1-CG 4.22Å; F63-F262 HydrophobicContact CE2-CB 4.2Å; F63-F262 HydrophobicContact CE2-CD1 4.31Å; F63-F262 AromaticContact CE2-CD2 3.66Å; F63-F262 HydrophobicContact CE2-CD2 3.66Å; F63-F262 HydrophobicContact CE2-CE2 4.07Å; F63-F262 AromaticContact CE2-CG 3.79Å; F63-F262 HydrophobicContact CE2-CG 3.79Å; F63-F262 HydrophobicContact CG-CB 4.41Å; F63-F262 AromaticContact CG-CD1 3.47Å; F63-F262 HydrophobicContact CG-CD1 3.47Å; F63-F262 VanDerWaalsContact CG-CD1 3.47Å; F63-F262 HydrophobicContact CG-CD2 4.29Å; F63-F262 AromaticContact CG-CE1 3.69Å; F63-F262 HydrophobicContact CG-CE1 3.69Å; F63-F262 HydrophobicContact CG-CE2 4.47Å; F63-F262 AromaticContact CG-CG 3.79Å; F63-F262 HydrophobicContact CG-CG 3.79Å; F63-F262 HydrophobicContact CG-CZ 4.18Å; F63-F262 HydrophobicContact CZ-CB 3.97Å; F63-F262 HydrophobicContact CZ-CD2 4.27Å; F63-F262 HydrophobicContact CZ-CG 4.06Å; E258-F262 WeakPolarHBondContact O-CB 3.08Å; E258-F262 PolarHBondContact O-N 3.19Å; H259-F262 PolarHBondContact O-N 3.28Å
263	F	70.8	Confident	59.5	Low	62 Å²	62	75.1 Å²	75.1	27%	0.272	36%	0.363	S	S	.	.	H	α-helix	trans	-90.2	0.2	-177.9	-70.7	-69.9	0	0	0	114.4	F63 F64 S193 H259	F63-F263 HydrophobicContact CB-CE2 3.92Å; F63-F263 HydrophobicContact CB-CZ 3.74Å; F63-F263 HydrophobicContact CD1-CE2 4.18Å; F63-F263 HydrophobicContact CG-CE2 4.43Å; F64-F263 VanDerWaalsContact O-CZ 3.28Å; F64-F263 WeakPolarHBondContact O-CZ 3.42Å; S193-F263 VanDerWaalsContact CB-CE2 3.43Å; H259-F263 AromaticContact CD2-CE2 3.98Å; H259-F263 WeakPolarHBondContact O-CD2 3.5Å; H259-F263 PolarHBondContact O-N 3.07Å
264	R	64	Low	57.1	Low	107 Å²	107	79.4 Å²	79.4	40%	0.404	39%	0.388	S	S	.	.	H	α-helix	trans	-124.4	-24.4	177.1	-70.7	-174.2	156	-159	-4.5	116.3	H260	H260-R264 PolarHBondContact NE2-NH1 2.7Å; H260-R264 VanDerWaalsContact O-CB 3.31Å; H260-R264 WeakPolarHBondContact O-CB 3.07Å; H260-R264 PolarHBondContact O-N 3.44Å
265	L	48.8	Very low	54.7	Low	95 Å²	95	80.1 Å²	80.1	50%	0.497	39%	0.391	S	S	.	.	S	Bend	trans	-86	129.1	173	-60.4	-173.5	0	0	0	109.6	T261 R267	T261-L265 HydrophobicContact CG2-CD1 3.64Å; T261-L265 HydrophobicContact CG2-CG 4.25Å; T261-L265 WeakPolarHBondContact O-CB 3.49Å; T261-L265 WeakPolarHBondContact O-CG 3.38Å; T261-L265 PolarHBondContact O-N 3.34Å; L265-R267 PolarHBondContact O-N 2.82Å
266	E	36.7	Very low	52.3	Low	166 Å²	166	86.8 Å²	86.8	78%	0.776	42%	0.419	S	S	*	.	S	Bend	trans	-65.9	-4.6	-175.9	-64.3	-170.5	147	0	0	114.4
267	R	33	Very low	49.9	Very low	165 Å²	165	90 Å²	90	62%	0.623	45%	0.447	S	S	*	.	S	Bend	trans	-150.5	147.4	164.9	-72.3	-171	171	169.3	-6	112.6	L265	L265-R267 PolarHBondContact O-N 2.82Å
268	P	30.6	Very low	47.4	Very low	71 Å²	71	96.6 Å²	96.6	46%	0.461	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-72.6	127	159.1	29.2	-28.9	0	0	0	110.3	D22	D22-P268 HydrophobicContact CB-CG 4.05Å; D22-P268 VanDerWaalsContact CG-CG 3.48Å; D22-P268 WeakPolarHBondContact OD2-CG 3.37Å
269	I	28.6	Very low	45.1	Very low	90 Å²	90	101.6 Å²	101.6	46%	0.462	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-84.2	135.2	177.1	-59.7	169.5	0	0	0	108.8	F275	I269-F275 HydrophobicContact CB-CE2 4.32Å
270	P	29.6	Very low	42.8	Very low	98 Å²	98	104.9 Å²	104.9	64%	0.636	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-57.3	132.3	174.6	-22.3	32.4	0	0	0	110.5	Q272	P270-Q272 VanDerWaalsContact C-N 3.27Å; P270-Q272 PolarHBondContact O-N 3.11Å
271	P	33.2	Very low	40.3	Very low	55 Å²	55	108.5 Å²	108.5	36%	0.357	54%	0.537	S	S	.	.			trans	-77.3	76.2	-173	31.8	-37.2	0	0	0	111.9	N42	N42-P271 WeakPolarHBondContact ND2-CB 3.49Å; N42-P271 WeakPolarHBondContact OD1-CB 3.41Å; N42-P271 WeakPolarHBondContact OD1-CG 3.43Å
272	Q	29.7	Very low	38.1	Very low	164 Å²	164	113.3 Å²	113.3	77%	0.766	56%	0.56	S	S	*	*			trans	-65.2	150.8	165.3	-71.5	-164.7	-13.1	0	0	110.6	P270 N274 F275	P270-Q272 VanDerWaalsContact C-N 3.27Å; P270-Q272 PolarHBondContact O-N 3.11Å; Q272-N274 PolarHBondContact O-N 3.01Å; Q272-F275 PolarHBondContact O-N 2.97Å
273	K	34.4	Very low	35.8	Very low	187 Å²	187	115.4 Å²	115.4	81%	0.813	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	131.7	177.8	-69.7	173.2	179.7	169	0	109.1
274	N	34.8	Very low	33.7	Very low	122 Å²	122	117.3 Å²	117.3	65%	0.652	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.5	19.9	-178.6	-48.6	-18.2	0	0	0	117.2	Q272 F276 A277	Q272-N274 PolarHBondContact O-N 3.01Å; N274-F276 PolarHBondContact O-N 2.69Å; N274-A277 HydrophobicContact CB-CB 4.21Å; N274-A277 PolarHBondContact O-N 3.24Å
275	F	32.5	Very low	32	Very low	86 Å²	86	122 Å²	122	38%	0.377	64%	0.636	S	S	.	*	H	α-helix	trans	-44.1	-35.9	169.7	-161.7	-88.1	0	0	0	114.8	I269 Q272	I269-F275 HydrophobicContact CB-CE2 4.32Å; Q272-F275 PolarHBondContact O-N 2.97Å
276	F	34.5	Very low	30.8	Very low	144 Å²	144	125 Å²	125	63%	0.632	65%	0.652	S	S	*	*	H	α-helix	trans	-79.5	-21.2	178.7	-72.2	-79.9	0	0	0	114.9	N274 F280	N274-F276 PolarHBondContact O-N 2.69Å; F276-F280 PolarHBondContact O-N 3.21Å; F276-F280 VanDerWaalsContact O-O 3.13Å
277	A	33.7	Very low	30.2	Very low	69 Å²	69	123.9 Å²	123.9	57%	0.57	66%	0.657	S	S	*	*	H	α-helix	trans	-88.3	-29	-173.5	0	0	0	0	0	113.3	N274	N274-A277 HydrophobicContact CB-CB 4.21Å; N274-A277 PolarHBondContact O-N 3.24Å
278	H	31	Very low	29.8	Very low	168 Å²	168	125.8 Å²	125.8	78%	0.778	67%	0.67	S	S	*	*	H	α-helix	trans	-80.2	-24.1	-176.8	-102.1	-76.1	0	0	0	114.6
279	Y	32.4	Very low	29.4	Very low	156 Å²	156	131.4 Å²	131.4	61%	0.612	69%	0.69	S	S	*	*	H	α-helix	trans	-115.3	-13.8	-179.7	-74.8	-82.8	0	0	0	114.3
280	F	33.4	Very low	29.1	Very low	74 Å²	74	134.1 Å²	134.1	33%	0.325	71%	0.711	S	S	.	*			trans	-134.1	93.3	-179.1	-57.6	-74.1	0	0	0	111.1	F276 L282 I340	F276-F280 PolarHBondContact O-N 3.21Å; F276-F280 VanDerWaalsContact O-O 3.13Å; F280-L282 PolarHBondContact O-N 2.72Å; F280-I340 HydrophobicContact CD1-CB 4.17Å; F280-I340 HydrophobicContact CD1-CG2 3.7Å; F280-I340 HydrophobicContact CE1-CB 3.96Å; F280-I340 HydrophobicContact CE1-CG2 3.81Å; F280-I340 HydrophobicContact CG-CG2 4.3Å; F280-I340 HydrophobicContact CZ-CG2 4.49Å
281	S	25.1	Very low	28.8	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	72%	0.715	S	S	*	*			trans	-63.9	116	172.8	-177	0	0	0	0	110.6	G283	S281-G283 PolarHBondContact O-N 3.48Å; S281-G283 VanDerWaalsContact O-N 3.16Å
282	L	29.6	Very low	28.4	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	74%	0.742	S	S	*	*			trans	-78.1	96.6	169.3	-132.7	90.2	0	0	0	108.2	F280 S284	F280-L282 PolarHBondContact O-N 2.72Å; L282-S284 PolarHBondContact O-N 3.07Å
283	G	25.5	Very low	27.9	Very low	79 Å²	79	140.3 Å²	140.3	81%	0.814	75%	0.75	S	S	*	*			trans	-62.6	94	-179.1	0	0	0	0	0	113	S281	S281-G283 PolarHBondContact O-N 3.48Å; S281-G283 VanDerWaalsContact O-N 3.16Å
284	S	27.2	Very low	27.3	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	75%	0.753	S	S	*	*			trans	-116.5	93.7	170.8	-174.7	0	0	0	0	109.4	L282 N286	L282-S284 PolarHBondContact O-N 3.07Å; S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.1Å
285	K	27.2	Very low	26.6	Very low	204 Å²	204	143 Å²	143	89%	0.887	76%	0.764	S	S	*	*			trans	-65	108.1	169.5	-73.8	-173.5	175	-173.7	0	108.8
286	N	24.7	Very low	26.1	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	78%	0.782	S	S	*	*			trans	-169.9	73.8	158.3	-96.9	-23.4	0	0	0	110.5	S284	S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.1Å
287	T	24.2	Very low	25.5	Very low	143 Å²	143	147 Å²	147	88%	0.877	79%	0.79	S	S	*	*			trans	-98.8	107.5	161.8	3	0	0	0	0	108
288	K	23.5	Very low	25	Very low	206 Å²	206	151 Å²	151	90%	0.896	80%	0.802	S	S	*	*			trans	-81.4	127.4	157.7	-87.7	-173.5	172	-175.3	0	107.6
289	E	22.4	Very low	24.7	Very low	188 Å²	188	150.8 Å²	150.8	88%	0.879	81%	0.806	S	S	*	*			trans	-63.5	137.7	172.3	-58.1	171.8	122.6	0	0	110.8
290	T	23.1	Very low	24.2	Very low	147 Å²	147	145.7 Å²	145.7	90%	0.902	80%	0.801	S	S	*	*			trans	-145.3	105.4	139.4	27.8	0	0	0	0	106.7
291	G	22.3	Very low	23.7	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	82%	0.822	S	S	*	*			trans	-80.8	165	-175	0	0	0	0	0	113.4
292	S	24.4	Very low	23.5	Very low	132 Å²	132	153.1 Å²	153.1	92%	0.923	82%	0.823	S	S	*	*			trans	-150.7	143.3	147.2	-85.8	0	0	0	0	110.3
293	R	20.2	Very low	23.2	Very low	246 Å²	246	153.1 Å²	153.1	93%	0.928	82%	0.823	S	S	*	*			trans	-104.8	124.3	-162.3	-177.9	-173.5	-171	-179	4	108.3
294	C	21.3	Very low	23	Very low	131 Å²	131	160.3 Å²	160.3	89%	0.885	83%	0.825	S	S	*	*			trans	-122.8	139.8	170.1	-73.9	0	0	0	0	110.5
295	R	20.9	Very low	23.3	Very low	235 Å²	235	160.2 Å²	160.2	89%	0.887	82%	0.822	S	S	*	*			trans	-98.4	163.1	-178.7	-125	176.3	-179.7	177.5	-2.5	109.3
296	N	22	Very low	23.1	Very low	142 Å²	142	155.6 Å²	155.6	76%	0.759	82%	0.816	S	S	*	*			trans	-29.4	147.6	163	-45.4	-1.6	0	0	0	113.1
297	E	21.9	Very low	23.1	Very low	171 Å²	171	152.8 Å²	152.8	80%	0.799	81%	0.809	S	S	*	*				-166.8	153.4	66.5	-87.1	179.7	153.8	0	0	114.9
298	L	23.1	Very low	23.1	Very low	154 Å²	154	152.6 Å²	152.6	81%	0.806	81%	0.807	S	S	*	*			trans	23.5	131.6	141.9	-74.7	154.5	0	0	0	124.2
299	D	23.6	Very low	23.1	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	79%	0.793	S	S	*	*			trans	78.9	157.9	131.6	-156.9	24.2	0	0	0	121.1
300	G	21.8	Very low	23.2	Very low	49 Å²	49	144.9 Å²	144.9	51%	0.505	79%	0.79	S	S	.	*			trans	112.6	59.5	144.4	0	0	0	0	0	120.2
301	T	22.8	Very low	23.3	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	78%	0.781	S	S	*	*			trans	45.4	134.4	138.1	48.3	0	0	0	0	124.1
302	R	22.6	Very low	23.5	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	78%	0.779	S	S	*	*				97.8	137.1	127.4	-89	178.7	-176.3	-157.4	2.5	122.8
303	L	22.3	Very low	23.5	Very low	148 Å²	148	145.8 Å²	145.8	78%	0.775	77%	0.765	S	S	*	*			trans	83.8	93.7	145	-69.3	161.8	0	0	0	121.2
304	R	20.9	Very low	23.8	Very low	231 Å²	231	141.5 Å²	141.5	87%	0.872	76%	0.755	S	S	*	*				4	163.5	112.1	-97.3	-172.9	-175.8	178.6	2.8	118.7
305	P	34.8	Very low	23.9	Very low	99 Å²	99	141.2 Å²	141.2	64%	0.643	75%	0.749	S	S	*	*			cis	-140.8	-171.7	-4.7	37.3	-16.9	0	0	0	115.7
306	S	22.1	Very low	24.1	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	74%	0.742	S	S	*	*			trans	71	152.1	149.5	72.6	0	0	0	0	117.9
307	S	24.7	Very low	24.2	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	75%	0.746	S	S	*	*			cis	-169.4	157.5	-17.7	43.5	0	0	0	0	108.7
308	V	24	Very low	24.2	Very low	138 Å²	138	134.5 Å²	134.5	84%	0.836	74%	0.741	S	S	*	*			trans	29	117.4	149.1	-174.1	0	0	0	0	116.6
309	G	23.5	Very low	24.2	Very low	60 Å²	60	132.6 Å²	132.6	62%	0.619	74%	0.74	S	S	*	*			cis	143.5	-166.8	28.4	0	0	0	0	0	108.1
310	H	25.5	Very low	24.7	Very low	172 Å²	172	130.8 Å²	130.8	80%	0.796	74%	0.737	S	S	*	*			trans	64.4	157.3	177.8	-69.2	73.3	0	0	0	115.8
311	L	25.6	Very low	24.8	Very low	138 Å²	138	133.9 Å²	133.9	72%	0.723	75%	0.751	S	S	*	*			cis	-155.2	151.4	-39.5	-148.4	107.3	0	0	0	106.4
312	V	25.7	Very low	24.9	Very low	112 Å²	112	135.7 Å²	135.7	68%	0.679	76%	0.755	S	S	*	*			trans	4.1	135	149	-169	0	0	0	0	116.1
313	D	24.1	Very low	25.2	Very low	118 Å²	118	130.7 Å²	130.7	63%	0.631	75%	0.752	S	S	*	*				-176.2	-179.6	53.3	-145.4	-31	0	0	0	114
314	H	25.8	Very low	25.3	Very low	156 Å²	156	129.3 Å²	129.3	72%	0.722	75%	0.749	S	S	*	*			trans	76.6	118.7	155.1	-59.3	-19	0	0	0	117.9
315	V	25.2	Very low	25.4	Very low	125 Å²	125	127.3 Å²	127.3	76%	0.758	75%	0.747	S	S	*	*			cis	91.8	141.7	38.8	-178.1	0	0	0	0	112.5
316	I	25.1	Very low	24.8	Very low	142 Å²	142	128 Å²	128	73%	0.728	75%	0.754	S	S	*	*			trans	111.1	104.8	164.6	-58.3	-161.7	0	0	0	118.6
317	H	23.4	Very low	24.7	Very low	182 Å²	182	127.8 Å²	127.8	84%	0.843	75%	0.752	S	S	*	*			trans	54.4	157.7	137.4	-71.8	-110.7	0	0	0	121.5
318	A	21.7	Very low	24.6	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	75%	0.754	S	S	*	*			cis	-160.8	170.4	-13.7	0	0	0	0	0	111
319	S	23.1	Very low	24.7	Very low	114 Å²	114	131 Å²	131	80%	0.797	75%	0.752	S	S	*	*			trans	-68.3	178.1	165.2	-37	0	0	0	0	111.8
320	P	34.5	Very low	24.6	Very low	123 Å²	123	138.2 Å²	138.2	80%	0.799	77%	0.766	S	S	*	*			cis	-129.7	-169.5	24.3	36.4	-12.2	0	0	0	113.3
321	S	23.3	Very low	24.6	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	77%	0.769	S	S	*	*			cis	-170.6	170.8	49.8	53.8	0	0	0	0	114.6
322	L	25.4	Very low	24.5	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	77%	0.771	S	S	*	*			trans	-89.3	162.2	176.2	-72.4	158.7	0	0	0	111.9
323	P	29.3	Very low	24.6	Very low	119 Å²	119	134 Å²	134	77%	0.773	78%	0.778	S	S	*	*				-151.6	138.1	91.6	35.8	-15.6	0	0	0	119
324	V	23.7	Very low	24.7	Very low	118 Å²	118	133 Å²	133	72%	0.715	78%	0.78	S	S	*	*				45.8	116.8	126.1	175	0	0	0	0	122.6
325	F	23.1	Very low	24.7	Very low	190 Å²	190	129.8 Å²	129.8	83%	0.833	77%	0.772	S	S	*	*			trans	42.9	134.4	141.9	-71.9	-101.6	0	0	0	120.8
326	S	21.5	Very low	24.8	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	77%	0.77	S	S	*	*			cis	-150.6	-163.3	31.8	-52	0	0	0	0	111
327	S	21.5	Very low	25	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	76%	0.759	S	S	*	*			cis	-156.3	178	3.1	70.3	0	0	0	0	113.2
328	N	22	Very low	25.9	Very low	135 Å²	135	121.9 Å²	121.9	72%	0.722	74%	0.736	S	S	*	*			trans	43.3	104.5	155.4	-72.5	1.2	0	0	0	123.7
329	H	25.1	Very low	26.6	Very low	171 Å²	171	121.1 Å²	121.1	79%	0.792	73%	0.726	S	S	*	*				42.4	111.9	126.7	-67.8	-80	0	0	0	120.8
330	K	22.8	Very low	27.5	Very low	210 Å²	210	116.6 Å²	116.6	91%	0.913	69%	0.692	S	S	*	*				-157.8	132.5	116.9	-109.6	164.1	-172.3	176.3	0	111.8
331	S	25.3	Very low	27.6	Very low	123 Å²	123	113.8 Å²	113.8	86%	0.86	68%	0.676	S	S	*	*			trans	-71.4	130.9	177.7	-48.1	0	0	0	0	110.8
332	A	22.3	Very low	28.6	Very low	94 Å²	94	110.4 Å²	110.4	78%	0.777	65%	0.649	S	S	*	*			trans	-122.2	99.7	170.5	0	0	0	0	0	109.9
333	S	28.8	Very low	28.8	Very low	116 Å²	116	108.9 Å²	108.9	81%	0.811	64%	0.641	S	S	*	*			trans	-77.3	117.9	162.9	-179.4	0	0	0	0	108.4
334	S	26.1	Very low	28.6	Very low	98 Å²	98	108.1 Å²	108.1	69%	0.685	64%	0.639	S	S	*	*			trans	-136.8	80.9	169.3	59.5	0	0	0	0	111	Q336	S334-Q336 VanDerWaalsContact C-N 3.27Å; S334-Q336 PolarHBondContact O-N 2.97Å
335	T	25.6	Very low	28.7	Very low	89 Å²	89	108.9 Å²	108.9	55%	0.546	64%	0.644	S	S	.	*			trans	-69.8	84.6	165.4	46.8	0	0	0	0	110.3
336	Q	27.3	Very low	28.7	Very low	155 Å²	155	105.9 Å²	105.9	72%	0.724	64%	0.644	S	S	*	*			trans	-66.4	133.6	162.3	-68.5	-173.6	-13.8	0	0	109.2	S334	S334-Q336 VanDerWaalsContact C-N 3.27Å; S334-Q336 PolarHBondContact O-N 2.97Å
337	A	29.8	Very low	28.9	Very low	60 Å²	60	106.2 Å²	106.2	50%	0.496	65%	0.646	S	S	.	*			trans	-87.1	133.3	177.6	0	0	0	0	0	110	K219 S339	K219-A337 HydrophobicContact CG-CB 4.32Å; A337-S339 PolarHBondContact O-N 3.02Å
338	N	40.9	Very low	29.2	Very low	68 Å²	68	107.9 Å²	107.9	36%	0.364	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	114.1	176.5	-63.9	-48.5	0	0	0	108.5	S217 F218	S217-N338 WeakPolarHBondContact CB-O 3.41Å; F218-N338 HydrophobicContact CD1-CB 3.98Å; F218-N338 HydrophobicContact CE1-CB 3.6Å; F218-N338 HydrophobicContact CZ-CB 4.05Å; F218-N338 VanDerWaalsContact CZ-ND2 3.26Å; F218-N338 WeakPolarHBondContact CZ-ND2 3.32Å; F218-N338 PolarHBondContact N-O 3.38Å; F218-N338 VanDerWaalsContact N-O 3.12Å; F218-N338 PolarHBondContact O-N 2.06Å
339	S	37.5	Very low	29.1	Very low	68 Å²	68	110.2 Å²	110.2	48%	0.476	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.5	133.1	-177.5	107.8	0	0	0	0	110	K215 A337	K215-S339 WeakPolarHBondContact CE-OG 3.37Å; K215-S339 PolarHBondContact NZ-OG 2.71Å; A337-S339 PolarHBondContact O-N 3.02Å
340	I	40.9	Very low	29	Very low	18 Å²	18	108.9 Å²	108.9	9%	0.092	66%	0.662	C	S	.	*			trans	-116.6	136.7	167.8	53.2	170.7	0	0	0	108.1	K215 I216 W253 V257 F280 L342	K215-I340 VanDerWaalsContact CD-O 3.22Å; K215-I340 WeakPolarHBondContact CD-O 3.41Å; K215-I340 WeakPolarHBondContact CE-O 3.45Å; K215-I340 WeakPolarHBondContact CG-O 3.44Å; I216-I340 WeakPolarHBondContact O-CG1 3.38Å; W253-I340 HydrophobicContact CZ2-CD1 4.04Å; W253-I340 HydrophobicContact CZ2-CG1 4.33Å; W253-I340 HydrophobicContact CZ2-CG2 3.98Å; V257-I340 HydrophobicContact CG2-CD1 3.53Å; F280-I340 HydrophobicContact CD1-CB 4.17Å; F280-I340 HydrophobicContact CD1-CG2 3.7Å; F280-I340 HydrophobicContact CE1-CB 3.96Å; F280-I340 HydrophobicContact CE1-CG2 3.81Å; F280-I340 HydrophobicContact CG-CG2 4.3Å; F280-I340 HydrophobicContact CZ-CG2 4.49Å; I340-L342 HydrophobicContact CD1-CD2 4.08Å
341	S	38.1	Very low	28.9	Very low	65 Å²	65	105.6 Å²	105.6	46%	0.455	66%	0.66	S	S	.	*			trans	-94	146.8	161.5	-65	0	0	0	0	107.5	K215	K215-S341 PolarHBondContact NZ-OG 2.89Å; K215-S341 VanDerWaalsContact NZ-OG 3.16Å
342	L	44.7	Very low	28.9	Very low	44 Å²	44	105.6 Å²	105.6	23%	0.23	66%	0.66	C	S	.	*			trans	-95.1	2.1	-176.8	-60.6	175.5	0	0	0	113.3	V214 I340	V214-L342 WeakPolarHBondContact O-CB 3.34Å; V214-L342 WeakPolarHBondContact O-CG 3.28Å; I340-L342 HydrophobicContact CD1-CD2 4.08Å
343	D	29.5	Very low	28.8	Very low	130 Å²	130	106.9 Å²	106.9	70%	0.695	66%	0.663	S	S	*	*			trans	-84.5	147.8	173.5	-62.1	-45.4	0	0	0	112.2
344	S	24.6	Very low	28.5	Very low	103 Å²	103	107.4 Å²	107.4	72%	0.72	67%	0.667	S	S	*	*			trans	-138.2	91.4	-179.6	-68.1	0	0	0	0	112
345	T	24.8	Very low	28.3	Very low	133 Å²	133	108.7 Å²	108.7	82%	0.816	68%	0.676	S	S	*	*			trans	-152.2	138.6	159.3	36.9	0	0	0	0	109.8
346	P	24.1	Very low	28.2	Very low	128 Å²	128	108.4 Å²	108.4	83%	0.831	69%	0.69	S	S	*	*			trans	-87.8	137.6	176.7	34.3	-31.9	0	0	0	111.6
347	S	24.1	Very low	27.9	Very low	119 Å²	119	110.6 Å²	110.6	83%	0.832	70%	0.697	S	S	*	*			trans	-105	134.2	173.1	42.3	0	0	0	0	111.7
348	V	27.9	Very low	27.5	Very low	138 Å²	138	114.4 Å²	114.4	84%	0.836	72%	0.715	S	S	*	*			trans	-91.6	136.2	176.5	174.7	0	0	0	0	109.3
349	E	20.4	Very low	26.6	Very low	184 Å²	184	116.3 Å²	116.3	86%	0.86	73%	0.733	S	S	*	*			trans	-73.7	132.4	173.9	-66.2	-178.6	145.7	0	0	111
350	T	23.9	Very low	25.7	Very low	144 Å²	144	117.6 Å²	117.6	88%	0.883	75%	0.748	S	S	*	*			trans	-126.7	126.8	160	22.3	0	0	0	0	110.4
351	T	20.4	Very low	24.8	Very low	141 Å²	141	124.6 Å²	124.6	87%	0.865	78%	0.784	S	S	*	*			trans	-88.2	133.5	-178	49.9	0	0	0	0	112.1
352	S	24.3	Very low	24	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	79%	0.794	S	S	*	*			trans	-148.3	124.2	152.1	61.8	0	0	0	0	111
353	S	20.8	Very low	22.8	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	82%	0.821	S	S	*	*			trans	-89.6	139.8	-176.4	53.4	0	0	0	0	113.3
354	S	23.5	Very low	22.4	Very low	127 Å²	127	136 Å²	136	89%	0.888	82%	0.824	S	S	*	*			trans	-150.4	155.5	141.5	68.3	0	0	0	0	110.6
355	S	21.9	Very low	22.3	Very low	125 Å²	125	136 Å²	136	87%	0.874	82%	0.824	S	S	*	*			trans	-109.9	138	-158.5	55	0	0	0	0	114.3
356	G	23.1	Very low	22.1	Very low	82 Å²	82	137.1 Å²	137.1	85%	0.845	82%	0.823	S	S	*	*			trans	-157.3	112.7	163.9	0	0	0	0	0	111.4
357	K	21.1	Very low	21.9	Very low	202 Å²	202	137.9 Å²	137.9	88%	0.878	82%	0.82	S	S	*	*			trans	-107	132.9	175.7	-76.7	-179.5	177.4	175.8	0	110.6
358	T	21	Very low	21.9	Very low	140 Å²	140	141 Å²	141	86%	0.859	82%	0.819	S	S	*	*			trans	167.7	155.8	137	39.8	0	0	0	0	108
359	S	21.3	Very low	21.5	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	82%	0.817	S	S	*	*			cis	-157.5	153.2	-24	44	0	0	0	0	107.3
360	A	20.2	Very low	21.6	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	82%	0.815	S	S	*	*			trans	-68	160.7	-178.8	0	0	0	0	0	113.3
361	L	22	Very low	21.7	Very low	165 Å²	165	137 Å²	137	86%	0.864	82%	0.815	S	S	*	*				-164.6	143.5	129.2	-101.7	165.7	0	0	0	111.9
362	T	20	Very low	21.9	Very low	107 Å²	107	138.9 Å²	138.9	66%	0.656	81%	0.814	S	S	*	*			trans	-80.2	170.1	177.4	38.3	0	0	0	0	113.2
363	W	20.1	Very low	21.8	Very low	212 Å²	212	140.2 Å²	140.2	80%	0.803	81%	0.811	S	S	*	*				-173.3	177.1	117.6	-91.5	115.3	0	0	0	112.5
364	Q	20.8	Very low	21.8	Very low	159 Å²	159	140 Å²	140	74%	0.743	81%	0.809	S	S	*	*			trans	-114	157.4	-150.9	-66.5	167	-27.5	0	0	116
365	S	21.9	Very low	21.7	Very low	104 Å²	104	142.9 Å²	142.9	73%	0.727	81%	0.809	S	S	*	*			trans	-12.5	139.7	153.6	-174.9	0	0	0	0	120.1
366	I	21.1	Very low	22.2	Very low	156 Å²	156	142.4 Å²	142.4	80%	0.8	80%	0.803	S	S	*	*			trans	-138.3	133	154.2	-62.9	-176	0	0	0	110.8
367	N	21.1	Very low	22.1	Very low	145 Å²	145	147 Å²	147	78%	0.775	81%	0.807	S	S	*	*			trans	-97.1	149.2	171.9	-77.9	-32.5	0	0	0	112.2
368	K	23	Very low	22	Very low	185 Å²	185	143.4 Å²	143.4	80%	0.804	80%	0.802	S	S	*	*			trans	-153.2	105.2	154.1	-76	-159.3	179.5	176.9	0	110.1
369	T	20.8	Very low	22.2	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	80%	0.8	S	S	*	*				77.6	120.3	84.8	55.8	0	0	0	0	116.7
370	S	21.6	Very low	22.3	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	80%	0.804	S	S	*	*			trans	-92.7	174.1	167.1	-46.9	0	0	0	0	112.5
371	P	26.9	Very low	22.9	Very low	134 Å²	134	144.2 Å²	144.2	87%	0.87	81%	0.81	S	S	*	*				-137.9	175.4	127.4	30.8	-13.5	0	0	0	115
372	Q	22.7	Very low	23	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	80%	0.802	S	S	*	*			trans	-97	161.3	-168.9	-55.1	162.8	-39.8	0	0	113.3
373	N	22.5	Very low	23.6	Very low	152 Å²	152	145 Å²	145	81%	0.813	82%	0.816	S	S	*	*				-179.9	164.6	107.3	-123.4	-22.4	0	0	0	117.9
374	S	22	Very low	23.9	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	82%	0.815	S	S	*	*			trans	87.8	144.5	159	73.5	0	0	0	0	121.1
375	Q	21.6	Very low	24.2	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	81%	0.812	S	S	*	*			trans	-117.4	-149.9	-167.4	-59.1	-176.9	-45.2	0	0	112.7
376	P	31.9	Very low	24.6	Very low	115 Å²	115	142.9 Å²	142.9	75%	0.747	82%	0.817	S	S	*	*				-120.1	168	-114.8	37.8	-18	0	0	0	115.1
377	L	20.5	Very low	25	Very low	178 Å²	178	138.7 Å²	138.7	93%	0.932	80%	0.801	S	S	*	*			trans	-137.1	148	169.2	-91.4	165.5	0	0	0	112.3
378	T	19.6	Very low	25.5	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	79%	0.791	S	S	*	*			trans	-104.3	144.1	-168.2	32.4	0	0	0	0	113.9
379	C	23.9	Very low	25.8	Very low	119 Å²	119	133 Å²	133	80%	0.804	78%	0.782	S	S	*	*			trans	16.2	141.1	153.7	-53.4	0	0	0	0	120.3
380	P	23.8	Very low	26.3	Very low	130 Å²	130	133.8 Å²	133.8	84%	0.844	78%	0.777	S	S	*	*				-138.8	162.7	86	37.7	-25.2	0	0	0	115.6
381	A	33.9	Very low	26.9	Very low	109 Å²	109	134 Å²	134	90%	0.901	77%	0.769	S	S	*	*			trans	-77.3	139	173.4	0	0	0	0	0	111.7
382	G	23.5	Very low	27.2	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	75%	0.754	S	S	*	*			trans	-143.4	133.8	170.7	0	0	0	0	0	110
383	K	33.3	Very low	28	Very low	220 Å²	220	128.8 Å²	128.8	96%	0.957	74%	0.739	S	S	*	*			trans	-66.1	136.4	174.4	-67.8	175.3	175.6	179.4	0	109.1
384	V	25.5	Very low	28.7	Very low	127 Å²	127	126.2 Å²	126.2	77%	0.77	72%	0.721	S	S	*	*			trans	-109.8	122.2	168.9	179.1	0	0	0	0	107.7
385	D	27	Very low	29.5	Very low	126 Å²	126	123.8 Å²	123.8	67%	0.674	70%	0.704	S	S	*	*			trans	-68.2	135.4	176.2	-99.8	-47.1	0	0	0	111.2	S387	D385-S387 VanDerWaalsContact C-N 3.31Å; D385-S387 PolarHBondContact O-N 3.2Å
386	Q	29.3	Very low	30.4	Very low	178 Å²	178	123.5 Å²	123.5	83%	0.832	69%	0.694	S	S	*	*	S	Bend	trans	-84.5	-5	-171.5	-149	167.3	6.6	0	0	113.3
387	S	31.1	Very low	30.9	Very low	69 Å²	69	121 Å²	121	48%	0.483	68%	0.677	S	S	.	*	S	Bend	trans	-83	-33.6	-177.3	48.5	0	0	0	0	114.4	D385 L389 Q390	D385-S387 VanDerWaalsContact C-N 3.31Å; D385-S387 PolarHBondContact O-N 3.2Å; S387-L389 VanDerWaalsContact C-N 3.3Å; S387-L389 PolarHBondContact O-N 2.82Å; S387-Q390 PolarHBondContact O-N 3.02Å
388	V	30.7	Very low	31.9	Very low	93 Å²	93	115.8 Å²	115.8	56%	0.564	65%	0.65	S	S	*	*	H	α-helix	trans	-76.6	-16.2	-170.9	-175.1	0	0	0	0	113.2
389	L	29	Very low	32.9	Very low	118 Å²	118	117.6 Å²	117.6	62%	0.618	64%	0.642	S	S	*	*	H	α-helix	trans	-83.8	-11.3	178.9	-79.7	165.8	0	0	0	114.3	S387 N393	S387-L389 VanDerWaalsContact C-N 3.3Å; S387-L389 PolarHBondContact O-N 2.82Å; L389-N393 PolarHBondContact O-ND2 3.32Å
390	Q	32.8	Very low	33.8	Very low	145 Å²	145	115.3 Å²	115.3	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-86.5	-46.2	179.8	-115.5	166	-18.5	0	0	112	S387 L392 N393 F394	S387-Q390 PolarHBondContact O-N 3.02Å; Q390-L392 VanDerWaalsContact C-N 3.3Å; Q390-L392 PolarHBondContact O-N 3.28Å; Q390-N393 PolarHBondContact O-N 2.87Å; Q390-N393 VanDerWaalsContact O-N 3.11Å; Q390-F394 PolarHBondContact O-N 3.32Å
391	D	33.1	Very low	34.7	Very low	123 Å²	123	114.7 Å²	114.7	66%	0.658	62%	0.62	S	S	*	*	H	α-helix	trans	-64	-32.2	-177.8	-65	-23.6	0	0	0	113.6	N393 S395	D391-N393 VanDerWaalsContact C-N 3.25Å; D391-N393 PolarHBondContact O-N 3.46Å; D391-S395 PolarHBondContact O-N 3.24Å; D391-S395 PolarHBondContact O-OG 3.17Å
392	L	32.4	Very low	35.1	Very low	104 Å²	104	114.8 Å²	114.8	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-70.4	-16.1	177.4	-76.6	169.7	0	0	0	114	Q390 R396	Q390-L392 VanDerWaalsContact C-N 3.3Å; Q390-L392 PolarHBondContact O-N 3.28Å; L392-R396 WeakPolarHBondContact O-CD 3.46Å; L392-R396 VanDerWaalsContact O-CG 3.25Å; L392-R396 WeakPolarHBondContact O-CG 2.94Å
393	N	40.6	Very low	35.7	Very low	100 Å²	100	117.5 Å²	117.5	54%	0.535	60%	0.604	S	S	.	*	H	α-helix	trans	-95.2	-40.9	174.7	-76.2	-32.6	0	0	0	111.7	L389 Q390 D391 S395 R396 V397	L389-N393 PolarHBondContact O-ND2 3.32Å; Q390-N393 PolarHBondContact O-N 2.87Å; Q390-N393 VanDerWaalsContact O-N 3.11Å; D391-N393 VanDerWaalsContact C-N 3.25Å; D391-N393 PolarHBondContact O-N 3.46Å; N393-S395 PolarHBondContact O-N 2.82Å; N393-R396 PolarHBondContact O-N 3.07Å; N393-R396 VanDerWaalsContact O-N 3.13Å; N393-V397 PolarHBondContact O-N 2.81Å
394	F	37.3	Very low	35.8	Very low	98 Å²	98	109.2 Å²	109.2	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-61.1	-44.1	179.5	-161.8	-104.8	0	0	0	112.1	Q390 R396 V397 L398	Q390-F394 PolarHBondContact O-N 3.32Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 3.13Å; F394-V397 PolarHBondContact O-N 3.13Å; F394-L398 HydrophobicContact CD1-CD1 4.01Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 PolarHBondContact O-N 2.95Å; F394-L398 VanDerWaalsContact O-N 3.11Å
395	S	38.2	Very low	36	Very low	64 Å²	64	108.8 Å²	108.8	45%	0.448	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-25.4	176.1	51.9	0	0	0	0	114.2	D391 N393 R399	D391-S395 PolarHBondContact O-N 3.24Å; D391-S395 PolarHBondContact O-OG 3.17Å; N393-S395 PolarHBondContact O-N 2.82Å; S395-R399 WeakPolarHBondContact O-CB 3.32Å; S395-R399 PolarHBondContact O-N 3.5Å
396	R	40	Very low	36.3	Very low	182 Å²	182	110.8 Å²	110.8	69%	0.687	59%	0.59	S	S	*	*	H	α-helix	trans	-77.6	-34.1	174.6	-68.9	174.8	84.1	175.7	6.9	112.5	L392 N393 F394 A400	L392-R396 WeakPolarHBondContact O-CD 3.46Å; L392-R396 VanDerWaalsContact O-CG 3.25Å; L392-R396 WeakPolarHBondContact O-CG 2.94Å; N393-R396 PolarHBondContact O-N 3.07Å; N393-R396 VanDerWaalsContact O-N 3.13Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 3.13Å; R396-A400 WeakPolarHBondContact O-CB 3.29Å; R396-A400 PolarHBondContact O-N 2.82Å
397	V	43.3	Very low	36.6	Very low	64 Å²	64	109.6 Å²	109.6	39%	0.388	59%	0.589	S	S	.	*	H	α-helix	trans	-66.9	-47	173.6	175.7	0	0	0	0	110.4	N393 F394 R399 A400 I401	N393-V397 PolarHBondContact O-N 2.81Å; F394-V397 PolarHBondContact O-N 3.13Å; V397-R399 VanDerWaalsContact C-N 3.3Å; V397-R399 PolarHBondContact O-N 3.41Å; V397-A400 PolarHBondContact O-N 3.45Å; V397-I401 HydrophobicContact CG1-CD1 3.87Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 2.92Å; V397-I401 VanDerWaalsContact O-N 3.11Å
398	L	42.1	Very low	36.9	Very low	68 Å²	68	117.2 Å²	117.2	36%	0.356	61%	0.609	S	S	.	*	H	α-helix	trans	-55.8	-43.5	174.5	-109.5	148.1	0	0	0	112.3	F394 I401 V402	F394-L398 HydrophobicContact CD1-CD1 4.01Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 PolarHBondContact O-N 2.95Å; F394-L398 VanDerWaalsContact O-N 3.11Å; L398-I401 PolarHBondContact O-N 3.28Å; L398-V402 WeakPolarHBondContact O-CG2 3.41Å; L398-V402 PolarHBondContact O-N 3.1Å
399	R	39.1	Very low	37.1	Very low	165 Å²	165	117 Å²	117	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-66.7	-38	177.6	-166.2	174.1	-173.5	161.9	11.9	113.4	S395 V397 I401 V402 E403	S395-R399 WeakPolarHBondContact O-CB 3.32Å; S395-R399 PolarHBondContact O-N 3.5Å; V397-R399 VanDerWaalsContact C-N 3.3Å; V397-R399 PolarHBondContact O-N 3.41Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 2.95Å; R399-V402 PolarHBondContact O-N 3.27Å; R399-E403 HydrophobicContact CG-CG 4.49Å; R399-E403 WeakPolarHBondContact CG-OE2 3.5Å; R399-E403 IonicContact CZ-OE2 3.31Å; R399-E403 VanDerWaalsContact CZ-OE2 3.31Å; R399-E403 IonicContact NE-OE2 2.71Å; R399-E403 PolarHBondContact NE-OE2 3.17Å; R399-E403 IonicContact NH2-OE1 3.89Å; R399-E403 IonicContact NH2-OE2 3Å; R399-E403 PolarHBondContact NH2-OE2 3.26Å; R399-E403 PolarHBondContact O-N 3.18Å
400	A	42.8	Very low	37.3	Very low	71 Å²	71	118.4 Å²	118.4	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-66.7	-29.8	176.9	0	0	0	0	0	113	R396 V397	R396-A400 WeakPolarHBondContact O-CB 3.29Å; R396-A400 PolarHBondContact O-N 2.82Å; V397-A400 PolarHBondContact O-N 3.45Å
401	I	43.7	Very low	38	Very low	116 Å²	116	118.8 Å²	118.8	60%	0.595	63%	0.625	S	S	*	*	H	α-helix	trans	-78.8	-29.1	177.2	-66.5	166.7	0	0	0	111.9	V397 L398 R399	V397-I401 HydrophobicContact CG1-CD1 3.87Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 2.92Å; V397-I401 VanDerWaalsContact O-N 3.11Å; L398-I401 PolarHBondContact O-N 3.28Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 2.95Å
402	V	41.5	Very low	38.5	Very low	111 Å²	111	115.3 Å²	115.3	67%	0.673	61%	0.606	S	S	*	*	H	α-helix	trans	-95.8	-31.4	-174.1	175.5	0	0	0	0	114.1	L398 R399	L398-V402 WeakPolarHBondContact O-CG2 3.41Å; L398-V402 PolarHBondContact O-N 3.1Å; R399-V402 PolarHBondContact O-N 3.27Å
403	E	36	Very low	39.6	Very low	126 Å²	126	111.7 Å²	111.7	59%	0.589	59%	0.593	S	S	*	*	S	Bend	trans	-113.7	6.8	-172.1	-61.1	-172.4	148.2	0	0	114.8	R399	R399-E403 HydrophobicContact CG-CG 4.49Å; R399-E403 WeakPolarHBondContact CG-OE2 3.5Å; R399-E403 IonicContact CZ-OE2 3.31Å; R399-E403 VanDerWaalsContact CZ-OE2 3.31Å; R399-E403 IonicContact NE-OE2 2.71Å; R399-E403 PolarHBondContact NE-OE2 3.17Å; R399-E403 IonicContact NH2-OE1 3.89Å; R399-E403 IonicContact NH2-OE2 3Å; R399-E403 PolarHBondContact NH2-OE2 3.26Å; R399-E403 PolarHBondContact O-N 3.18Å
404	G	35.7	Very low	40	Very low	46 Å²	46	111.8 Å²	111.8	47%	0.474	60%	0.597	S	S	.	*	S	Bend	trans	-83.3	139.2	-178.7	0	0	0	0	0	114.1
405	P	30.6	Very low	40.9	Very low	118 Å²	118	109.2 Å²	109.2	77%	0.766	59%	0.59	S	S	*	*			trans	-65.5	142.6	173	27.2	-32.8	0	0	0	111.5	L407	P405-L407 PolarHBondContact O-N 2.66Å
406	L	33.9	Very low	41.2	Very low	167 Å²	167	111.6 Å²	111.6	87%	0.874	60%	0.604	S	S	*	*	S	Bend	trans	-54.4	75.7	-168	-62.9	167.4	0	0	0	115.7
407	L	35	Very low	41.5	Very low	153 Å²	153	109.3 Å²	109.3	80%	0.801	60%	0.6	S	S	*	*	S	Bend	trans	-140.1	8.8	178.6	-93.5	164.5	0	0	0	114.7	P405	P405-L407 PolarHBondContact O-N 2.66Å
408	Y	37.1	Very low	41.9	Very low	229 Å²	229	112 Å²	112	90%	0.898	61%	0.613	S	S	*	*	S	Bend	trans	-142.8	73.2	173.3	-84.7	-88.2	0	0	0	110.7
409	C	34.3	Very low	42.8	Very low	90 Å²	90	115.2 Å²	115.2	61%	0.608	63%	0.63	S	S	*	*			trans	-144.6	6.8	178.7	-93.8	0	0	0	0	116.5
410	D	34.2	Very low	44.5	Very low	146 Å²	146	108 Å²	108	78%	0.781	60%	0.604	S	S	*	*	S	Bend	trans	-112	2.6	-169.7	-64.3	-43.9	0	0	0	115.8
411	L	46.5	Very low	46.2	Very low	154 Å²	154	105 Å²	105	81%	0.806	58%	0.578	S	S	*	*			trans	-127.7	132.2	175.1	-74.6	96.3	0	0	0	113.2
412	N	43.8	Very low	48	Very low	50 Å²	50	102.4 Å²	102.4	27%	0.267	57%	0.565	S	S	.	*			trans	-72.2	146.5	160.6	-78.1	-17.4	0	0	0	110.3	K424 V462	N412-K424 PolarHBondContact ND2-N 3.38Å; N412-K424 PolarHBondContact ND2-O 3.4Å; N412-K424 VanDerWaalsContact ND2-O 3.09Å; N412-K424 WeakPolarHBondContact OD1-CA 3.44Å; N412-K424 WeakPolarHBondContact OD1-CB 3.5Å; N412-K424 PolarHBondContact OD1-N 3.12Å; N412-V462 WeakPolarHBondContact CB-O 3.31Å; N412-V462 PolarHBondContact ND2-O 3.28Å
413	G	55.6	Low	50	Low	27 Å²	27	97.1 Å²	97.1	28%	0.278	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-174.3	179.7	0	0	0	0	0	115.7	L422	G413-L422 PolarHBondContact N-O 3.2Å; G413-L422 PolarHBondContact O-N 2.88Å
414	V	50.4	Low	52.3	Low	102 Å²	102	93.8 Å²	93.8	62%	0.618	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.3	-180	-178.9	0	0	0	0	109.9	V421	V414-V421 HydrophobicContact CG2-CG2 4.48Å
415	V	54.7	Low	54.7	Low	44 Å²	44	92 Å²	92	27%	0.267	50%	0.497	S	S	.	.			trans	-72	135.6	170.7	-176.5	0	0	0	0	108	H417 L420 L505	V415-H417 PolarHBondContact O-N 3.25Å; V415-L420 PolarHBondContact N-O 3.41Å; V415-L505 HydrophobicContact CG2-CD1 3.78Å
416	P	44.1	Very low	57.3	Low	114 Å²	114	94.5 Å²	94.5	74%	0.74	49%	0.49	S	S	*	.	S	Bend	trans	-62.4	2.3	-170.9	-26.9	35.5	0	0	0	117.6
417	H	46.1	Very low	59.6	Low	134 Å²	134	88.4 Å²	88.4	62%	0.62	46%	0.461	S	S	*	.	S	Bend	trans	-138.5	142.4	179.9	-60.7	81.9	0	0	0	110.2	V415	V415-H417 PolarHBondContact O-N 3.25Å
418	D	52.1	Low	61.7	Low	120 Å²	120	82.8 Å²	82.8	64%	0.642	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	28.2	169.9	-63	-13.5	0	0	0	120.1	L420	D418-L420 HydrophobicContact CB-CG 4.48Å; D418-L420 PolarHBondContact O-N 2.91Å; D418-L420 VanDerWaalsContact O-N 3.11Å
419	N	62.1	Low	63.5	Low	137 Å²	137	81.3 Å²	81.3	73%	0.733	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	28.9	175.6	-68.4	-12.7	0	0	0	113.7	P508	N419-P508 WeakPolarHBondContact O-CD 3.42Å
420	L	73.9	Confident	65.3	Low	14 Å²	14	83.7 Å²	83.7	7%	0.073	44%	0.435	C	S	.	.			trans	-94.2	141.9	178.5	-61	179.6	0	0	0	110.9	V415 D418 V472 L505 V506 R507	V415-L420 PolarHBondContact N-O 3.41Å; D418-L420 HydrophobicContact CB-CG 4.48Å; D418-L420 PolarHBondContact O-N 2.91Å; D418-L420 VanDerWaalsContact O-N 3.11Å; L420-V472 HydrophobicContact CD2-CG2 4.19Å; L420-L505 HydrophobicContact CB-CD1 3.94Å; L420-L505 HydrophobicContact CB-CD2 4.42Å; L420-L505 HydrophobicContact CB-CG 4.13Å; L420-L505 HydrophobicContact CD1-CD2 3.76Å; L420-L505 HydrophobicContact CD1-CG 4.25Å; L420-V506 WeakPolarHBondContact CA-O 3.45Å; L420-R507 HydrophobicContact CD2-CB 3.73Å; L420-R507 HydrophobicContact CD2-CG 4.3Å
421	V	79.4	Confident	67.1	Low	7 Å²	7	78.5 Å²	78.5	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.8	-178.4	-179.1	0	0	0	0	109.1	V414 I423 P463 V506 P508 Y512	V414-V421 HydrophobicContact CG2-CG2 4.48Å; V421-I423 HydrophobicContact CG1-CD1 4.5Å; V421-I423 HydrophobicContact CG1-CG1 4.02Å; V421-P463 HydrophobicContact CG1-CG 3.42Å; V421-P463 VanDerWaalsContact CG1-CG 3.42Å; V421-V506 HydrophobicContact CB-CG2 4.05Å; V421-V506 PolarHBondContact N-O 3.24Å; V421-V506 PolarHBondContact O-N 3.27Å; V421-P508 HydrophobicContact CG2-CG 3.65Å; V421-Y512 HydrophobicContact CG2-CD2 4.42Å; V421-Y512 HydrophobicContact CG2-CE2 4.47Å
422	L	82	Confident	68.7	Low	61 Å²	61	78 Å²	78	32%	0.319	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.4	173.8	-166.2	75.3	0	0	0	109.6	G413 I503 L505	G413-L422 PolarHBondContact N-O 3.2Å; G413-L422 PolarHBondContact O-N 2.88Å; L422-I503 HydrophobicContact CD1-CG2 3.62Å; L422-I503 HydrophobicContact CG-CG2 4.13Å; L422-L505 HydrophobicContact CB-CD1 4.3Å; L422-L505 HydrophobicContact CD1-CB 4.41Å; L422-L505 HydrophobicContact CD1-CD1 3.99Å
423	I	83.2	Confident	70.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.3	-179.4	-58.3	178.6	0	0	0	109.2	V421 M425 C461 P463 L465 L504 V506	V421-I423 HydrophobicContact CG1-CD1 4.5Å; V421-I423 HydrophobicContact CG1-CG1 4.02Å; I423-M425 HydrophobicContact CG2-CE 3.61Å; I423-C461 HydrophobicContact CG2-CB 4.4Å; I423-P463 HydrophobicContact CG1-CG 4.19Å; I423-L465 HydrophobicContact CD1-CB 4.37Å; I423-L465 HydrophobicContact CD1-CD1 3.59Å; I423-L504 PolarHBondContact N-O 3.26Å; I423-L504 PolarHBondContact O-N 2.91Å; I423-V506 HydrophobicContact CD1-CG1 4.42Å; I423-V506 HydrophobicContact CD1-CG2 3.6Å; I423-V506 HydrophobicContact CG1-CG2 4.22Å
424	K	83.5	Confident	72	Confident	57 Å²	57	75.7 Å²	75.7	25%	0.248	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.2	172.7	-172.6	175.6	178.1	-178.5	0	109.7	N412 E501 L502 I503	N412-K424 PolarHBondContact ND2-N 3.38Å; N412-K424 PolarHBondContact ND2-O 3.4Å; N412-K424 VanDerWaalsContact ND2-O 3.09Å; N412-K424 WeakPolarHBondContact OD1-CA 3.44Å; N412-K424 WeakPolarHBondContact OD1-CB 3.5Å; N412-K424 PolarHBondContact OD1-N 3.12Å; K424-E501 WeakPolarHBondContact CE-OE1 3.45Å; K424-E501 WeakPolarHBondContact CE-OE2 3.29Å; K424-E501 IonicContact NZ-OE1 3.67Å; K424-E501 IonicContact NZ-OE2 2.89Å; K424-E501 PolarHBondContact NZ-OE2 3.43Å; K424-L502 CarbonylContact C-O 3.58Å; K424-L502 WeakPolarHBondContact CA-O 3.22Å; K424-I503 HydrophobicContact CB-CG1 4.45Å; K424-I503 HydrophobicContact CD-CG1 4.48Å; K424-I503 HydrophobicContact CG-CG1 4.05Å
425	M	86.3	Confident	73.9	Confident	9 Å²	9	72 Å²	72	4%	0.044	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.7	178.9	60.3	178.3	74.2	0	0	112.1	I423 F433 F435 A458 C461 L465 L502 L504	I423-M425 HydrophobicContact CG2-CE 3.61Å; M425-F433 HydrophobicContact CG-CD1 3.75Å; M425-F433 HydrophobicContact CG-CE1 4.26Å; M425-F433 HydrophobicContact SD-CB 3.91Å; M425-F433 HydrophobicContact SD-CD1 3.9Å; M425-F433 HydrophobicContact SD-CG 4.23Å; M425-F435 HydrophobicContact SD-CD1 4.29Å; M425-F435 HydrophobicContact SD-CE1 3.99Å; M425-A458 HydrophobicContact CE-CB 3.98Å; M425-A458 HydrophobicContact SD-CB 4Å; M425-C461 HydrophobicContact CB-CB 4.23Å; M425-C461 HydrophobicContact CE-CB 4.47Å; M425-L465 HydrophobicContact CE-CB 4.34Å; M425-L465 HydrophobicContact CE-CD2 4.17Å; M425-L502 HydrophobicContact CG-CB 4.13Å; M425-L502 HydrophobicContact CG-CD2 4.17Å; M425-L502 HydrophobicContact CG-CG 4.47Å; M425-L502 PolarHBondContact N-O 3.36Å; M425-L502 PolarHBondContact O-N 2.56Å; M425-L502 HydrophobicContact SD-CD2 4.11Å; M425-L504 HydrophobicContact CE-CD1 4.34Å
426	R	84.8	Confident	75.5	Confident	169 Å²	169	74.8 Å²	74.8	64%	0.638	38%	0.378	S	S	*	.			trans	-102.8	148.1	173.8	-72.1	178.5	-176.1	177.1	0.7	110.3	S457 E501	R426-S457 WeakPolarHBondContact O-CB 3.45Å; R426-S457 PolarHBondContact O-OG 3.21Å; R426-E501 HydrophobicContact CG-CG 3.68Å; R426-E501 IonicContact CZ-OE1 3.21Å; R426-E501 IonicContact NE-OE1 2.83Å; R426-E501 PolarHBondContact NE-OE1 2.83Å; R426-E501 IonicContact NH2-OE1 2.73Å; R426-E501 PolarHBondContact NH2-OE1 3.49Å
427	P	82.9	Confident	77.6	Confident	39 Å²	39	70.1 Å²	70.1	25%	0.253	35%	0.347	S	S	.	.			trans	-67.1	158.2	176.4	29.1	-33.8	0	0	0	111.6	F433 G500	P427-F433 HydrophobicContact CB-CD1 4.31Å; P427-F433 HydrophobicContact CB-CE1 3.9Å; P427-F433 HydrophobicContact CB-CZ 4Å; P427-F433 HydrophobicContact CG-CE1 4.27Å; P427-F433 HydrophobicContact CG-CZ 4.29Å; P427-F433 VanDerWaalsContact N-CE1 3.33Å; P427-G500 WeakPolarHBondContact CD-O 3.21Å
428	D	78.9	Confident	79.5	Confident	36 Å²	36	70 Å²	70	19%	0.193	35%	0.345	C	S	.	.			trans	-66.8	174	169.2	74	1.6	0	0	0	111.8	H430 G431 R432	D428-H430 PolarHBondContact O-N 3.24Å; D428-H430 VanDerWaalsContact OD1-CA 3.27Å; D428-H430 WeakPolarHBondContact OD1-CA 3.17Å; D428-H430 WeakPolarHBondContact OD1-CB 3.14Å; D428-H430 PolarHBondContact OD1-N 3.49Å; D428-G431 PolarHBondContact O-N 3.36Å; D428-G431 PolarHBondContact OD1-N 2.83Å; D428-R432 PolarHBondContact N-O 3.26Å; D428-R432 WeakPolarHBondContact OD1-CB 3.33Å; D428-R432 PolarHBondContact OD1-N 2.81Å; D428-R432 IonicContact OD1-NE 2.75Å; D428-R432 IonicContact OD2-CZ 3.58Å; D428-R432 VanDerWaalsContact OD2-CZ 3.31Å; D428-R432 IonicContact OD2-NE 3.48Å; D428-R432 PolarHBondContact OD2-NE 2.73Å; D428-R432 IonicContact OD2-NH2 3.55Å; D428-R432 PolarHBondContact OD2-NH2 2.9Å
429	E	74.1	Confident	81.2	Confident	197 Å²	197	64.5 Å²	64.5	92%	0.921	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-12.4	176.1	-62.3	-177.6	158.3	0	0	114
430	H	72.3	Confident	82.4	Confident	140 Å²	140	58.1 Å²	58.1	65%	0.648	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	11.1	-180	-60.1	71.1	0	0	0	112.5	D428	D428-H430 PolarHBondContact O-N 3.24Å; D428-H430 VanDerWaalsContact OD1-CA 3.27Å; D428-H430 WeakPolarHBondContact OD1-CA 3.17Å; D428-H430 WeakPolarHBondContact OD1-CB 3.14Å; D428-H430 PolarHBondContact OD1-N 3.49Å
431	G	72.4	Confident	82.8	Confident	38 Å²	38	59.7 Å²	59.7	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	77.9	21.8	177.4	0	0	0	0	0	114.9	D428 C495	D428-G431 PolarHBondContact O-N 3.36Å; D428-G431 PolarHBondContact OD1-N 2.83Å; G431-C495 PolarHBondContact O-SG 2.67Å
432	R	79.6	Confident	83	Confident	142 Å²	142	63.5 Å²	63.5	54%	0.536	32%	0.318	S	S	.	.			trans	-119	141.9	-173.6	-51.1	172.7	-59	-172.1	1.8	112.1	D428	D428-R432 PolarHBondContact N-O 3.26Å; D428-R432 WeakPolarHBondContact OD1-CB 3.33Å; D428-R432 PolarHBondContact OD1-N 2.81Å; D428-R432 IonicContact OD1-NE 2.75Å; D428-R432 IonicContact OD2-CZ 3.58Å; D428-R432 VanDerWaalsContact OD2-CZ 3.31Å; D428-R432 IonicContact OD2-NE 3.48Å; D428-R432 PolarHBondContact OD2-NE 2.73Å; D428-R432 IonicContact OD2-NH2 3.55Å; D428-R432 PolarHBondContact OD2-NH2 2.9Å
433	F	84.2	Confident	83	Confident	11 Å²	11	65.1 Å²	65.1	5%	0.048	32%	0.324	C	S	.	.			trans	-89.9	-19.3	174.9	-60.1	-76	0	0	0	113.9	M425 P427 F435 A458 I491 C495 L502	M425-F433 HydrophobicContact CG-CD1 3.75Å; M425-F433 HydrophobicContact CG-CE1 4.26Å; M425-F433 HydrophobicContact SD-CB 3.91Å; M425-F433 HydrophobicContact SD-CD1 3.9Å; M425-F433 HydrophobicContact SD-CG 4.23Å; P427-F433 HydrophobicContact CB-CD1 4.31Å; P427-F433 HydrophobicContact CB-CE1 3.9Å; P427-F433 HydrophobicContact CB-CZ 4Å; P427-F433 HydrophobicContact CG-CE1 4.27Å; P427-F433 HydrophobicContact CG-CZ 4.29Å; P427-F433 VanDerWaalsContact N-CE1 3.33Å; F433-F435 HydrophobicContact CB-CD1 3.74Å; F433-F435 HydrophobicContact CB-CE1 3.58Å; F433-F435 HydrophobicContact CG-CE1 4.34Å; F433-A458 WeakPolarHBondContact O-CB 3.43Å; F433-A458 PolarHBondContact O-N 3.44Å; F433-I491 HydrophobicContact CD2-CG2 3.94Å; F433-I491 HydrophobicContact CE2-CG2 4.34Å; F433-I491 WeakPolarHBondContact CE2-O 3.32Å; F433-C495 WeakPolarHBondContact CE2-SG 3.33Å; F433-L502 HydrophobicContact CB-CD2 4.4Å; F433-L502 HydrophobicContact CD1-CB 4.02Å; F433-L502 HydrophobicContact CD1-CD2 3.94Å; F433-L502 HydrophobicContact CD2-CD2 3.83Å; F433-L502 HydrophobicContact CE1-CB 3.43Å; F433-L502 VanDerWaalsContact CE1-CB 3.43Å; F433-L502 HydrophobicContact CE1-CD2 4.14Å; F433-L502 HydrophobicContact CE1-CG 4.44Å; F433-L502 HydrophobicContact CE2-CB 4.12Å; F433-L502 HydrophobicContact CE2-CD2 4.05Å; F433-L502 HydrophobicContact CG-CD2 3.77Å; F433-L502 HydrophobicContact CZ-CB 3.5Å; F433-L502 HydrophobicContact CZ-CD2 4.21Å; F433-L502 HydrophobicContact CZ-CG 4.42Å
434	G	84.6	Confident	82.8	Confident	19 Å²	19	74.3 Å²	74.3	20%	0.196	36%	0.364	C	S	.	.			trans	84.2	17.1	172.2	0	0	0	0	0	116.9	A453 T456	G434-A453 WeakPolarHBondContact O-CB 3.48Å; G434-A453 PolarHBondContact O-N 3.37Å; G434-T456 WeakPolarHBondContact CA-OG1 3.34Å; G434-T456 PolarHBondContact O-OG1 3.49Å
435	F	90.6	Very high	82.7	Confident	25 Å²	25	76.8 Å²	76.8	11%	0.11	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.4	172.8	72.9	-79.5	0	0	0	112.4	M425 F433 V437 V449 R451 V452 A458 L465 I491 L502 L504	M425-F435 HydrophobicContact SD-CD1 4.29Å; M425-F435 HydrophobicContact SD-CE1 3.99Å; F433-F435 HydrophobicContact CB-CD1 3.74Å; F433-F435 HydrophobicContact CB-CE1 3.58Å; F433-F435 HydrophobicContact CG-CE1 4.34Å; F435-V437 HydrophobicContact CD2-CG1 4.04Å; F435-V437 HydrophobicContact CE2-CG1 3.68Å; F435-V449 HydrophobicContact CB-CG1 4.42Å; F435-V449 HydrophobicContact CD2-CG1 4.36Å; F435-V449 HydrophobicContact CD2-CG2 4.35Å; F435-R451 CarbonylContact C-O 3.49Å; F435-R451 VanDerWaalsContact CA-O 3.24Å; F435-R451 WeakPolarHBondContact CA-O 3.29Å; F435-R451 WeakPolarHBondContact CB-O 3.21Å; F435-V452 HydrophobicContact CB-CG2 4.14Å; F435-A458 HydrophobicContact CB-CB 3.9Å; F435-A458 HydrophobicContact CD1-CB 3.77Å; F435-A458 HydrophobicContact CG-CB 4.2Å; F435-L465 HydrophobicContact CB-CD2 3.92Å; F435-L465 HydrophobicContact CD1-CD2 3.94Å; F435-L465 HydrophobicContact CD2-CD2 3.7Å; F435-L465 HydrophobicContact CE1-CD2 4.37Å; F435-L465 HydrophobicContact CE2-CD2 4.16Å; F435-L465 HydrophobicContact CG-CD2 3.58Å; F435-L465 HydrophobicContact CZ-CD2 4.48Å; F435-I491 HydrophobicContact CE1-CG2 4.49Å; F435-I491 HydrophobicContact CE2-CD1 4.14Å; F435-I491 HydrophobicContact CZ-CD1 4.06Å; F435-I491 HydrophobicContact CZ-CG1 4.47Å; F435-I491 HydrophobicContact CZ-CG2 4.18Å; F435-L502 HydrophobicContact CE1-CD2 3.74Å; F435-L502 HydrophobicContact CZ-CD2 3.89Å; F435-L504 HydrophobicContact CE1-CD1 4.34Å; F435-L504 HydrophobicContact CE2-CD1 4.25Å; F435-L504 HydrophobicContact CZ-CD1 3.77Å
436	N	87.5	Confident	82.6	Confident	101 Å²	101	79.2 Å²	79.2	54%	0.54	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.9	177.5	-73.3	49.1	0	0	0	110.2	S450 R451	N436-S450 WeakPolarHBondContact O-CA 3.23Å; N436-S450 PolarHBondContact O-N 3.47Å; N436-S450 PolarHBondContact O-OG 3.07Å; N436-R451 HydrophobicContact CB-CB 4.11Å; N436-R451 PolarHBondContact N-O 2.85Å; N436-R451 PolarHBondContact O-N 2.93Å
437	V	89.7	Confident	82.7	Confident	16 Å²	16	71.5 Å²	71.5	10%	0.097	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	158.5	172.3	-65.8	0	0	0	0	112.5	F435 I447 I448 H484 V488 I491	F435-V437 HydrophobicContact CD2-CG1 4.04Å; F435-V437 HydrophobicContact CE2-CG1 3.68Å; V437-I447 HydrophobicContact CB-CG2 4.09Å; V437-I447 HydrophobicContact CG1-CG2 4.08Å; V437-I448 CarbonylContact C-O 3.59Å; V437-I448 WeakPolarHBondContact CA-O 3.36Å; V437-H484 PolarHBondContact O-CE1 3.2Å; V437-V488 HydrophobicContact CG2-CG2 3.94Å; V437-I491 HydrophobicContact CG1-CD1 4.13Å; V437-I491 HydrophobicContact CG2-CD1 4.25Å
438	K	86	Confident	83	Confident	133 Å²	133	72.1 Å²	72.1	58%	0.578	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.7	169.1	-75.9	175.3	-170.4	165.8	0	109.9	I447 I448 S450	K438-I447 WeakPolarHBondContact O-CA 3.21Å; K438-I448 PolarHBondContact N-O 2.79Å; K438-I448 PolarHBondContact O-N 3.08Å; K438-S450 VanDerWaalsContact CD-CB 3.41Å; K438-S450 VanDerWaalsContact CG-CB 3.5Å
439	G	87.6	Confident	83.5	Confident	4 Å²	4	70.4 Å²	70.4	4%	0.041	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-173.1	-175.3	0	0	0	0	0	112.7	I447 H484	G439-I447 VanDerWaalsContact C-CD1 3.42Å; G439-I447 WeakPolarHBondContact O-CD1 3.4Å; G439-H484 WeakPolarHBondContact O-CB 3.36Å; G439-H484 PolarHBondContact O-ND1 3.1Å
440	G	86.6	Confident	84.1	Confident	3 Å²	3	62.4 Å²	62.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.9	159.3	-172	0	0	0	0	0	110.6	D442 Q443 K444 M445	G440-D442 WeakPolarHBondContact CA-OD1 3.35Å; G440-D442 PolarHBondContact O-N 3.33Å; G440-Q443 CarbonylContact O-C 3.56Å; G440-Q443 WeakPolarHBondContact O-CA 3.36Å; G440-Q443 PolarHBondContact O-N 3.33Å; G440-K444 PolarHBondContact O-N 3.01Å; G440-K444 VanDerWaalsContact O-N 3.13Å; G440-M445 CarbonylContact C-O 3.51Å; G440-M445 PolarHBondContact N-O 3.48Å; G440-M445 PolarHBondContact O-N 2.92Å
441	A	83	Confident	84.6	Confident	46 Å²	46	63.8 Å²	63.8	38%	0.38	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-58.6	-34.2	178.6	0	0	0	0	0	112.4	Q443 K444 H482	A441-Q443 VanDerWaalsContact C-N 3.27Å; A441-Q443 PolarHBondContact O-N 3.08Å; A441-K444 PolarHBondContact O-N 3.37Å; A441-H482 WeakPolarHBondContact CB-O 3.34Å; A441-H482 PolarHBondContact N-O 3.28Å
442	D	83.8	Confident	85.3	Confident	88 Å²	88	62.6 Å²	62.6	47%	0.471	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-59.9	-33.3	172	57.2	-63.5	0	0	0	113.4	G440 T483 H484	G440-D442 WeakPolarHBondContact CA-OD1 3.35Å; G440-D442 PolarHBondContact O-N 3.33Å; D442-T483 HydrophobicContact CB-CG2 4.17Å; D442-T483 VanDerWaalsContact OD1-CA 3.23Å; D442-T483 WeakPolarHBondContact OD1-CA 3.41Å; D442-T483 WeakPolarHBondContact OD1-CB 3.37Å; D442-H484 PolarHBondContact OD1-N 3.15Å
443	Q	80.8	Confident	85.4	Confident	94 Å²	94	57.8 Å²	57.8	44%	0.439	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-95.4	-2	-179	-75.4	158.6	54.2	0	0	113.2	G440 A441 M445	G440-Q443 CarbonylContact O-C 3.56Å; G440-Q443 WeakPolarHBondContact O-CA 3.36Å; G440-Q443 PolarHBondContact O-N 3.33Å; A441-Q443 VanDerWaalsContact C-N 3.27Å; A441-Q443 PolarHBondContact O-N 3.08Å; Q443-M445 HydrophobicContact CB-CB 4.44Å; Q443-M445 PolarHBondContact O-N 2.87Å; Q443-M445 VanDerWaalsContact O-N 3.14Å
444	K	80.8	Confident	85.1	Confident	194 Å²	194	62.8 Å²	62.8	84%	0.843	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	28.9	-172.7	-58.3	-175.5	179.6	-178.9	0	113.8	G440 A441	G440-K444 PolarHBondContact O-N 3.01Å; G440-K444 VanDerWaalsContact O-N 3.13Å; A441-K444 PolarHBondContact O-N 3.37Å
445	M	80.2	Confident	84.6	Confident	109 Å²	109	64.4 Å²	64.4	54%	0.537	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.4	-178.9	-75.8	-67.9	-67.1	0	0	108.4	G440 Q443	G440-M445 CarbonylContact C-O 3.51Å; G440-M445 PolarHBondContact N-O 3.48Å; G440-M445 PolarHBondContact O-N 2.92Å; Q443-M445 HydrophobicContact CB-CB 4.44Å; Q443-M445 PolarHBondContact O-N 2.87Å; Q443-M445 VanDerWaalsContact O-N 3.14Å
446	P	83.9	Confident	84.3	Confident	59 Å²	59	64.5 Å²	64.5	38%	0.383	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	152.3	174.7	27.8	-34.7	0	0	0	110.6	I448 Q470	P446-I448 HydrophobicContact CG-CD1 4.08Å; P446-I448 HydrophobicContact CG-CG1 4.38Å; P446-I448 PolarHBondContact O-N 3.5Å; P446-Q470 HydrophobicContact CB-CG 4.21Å; P446-Q470 VanDerWaalsContact CB-NE2 3.35Å
447	I	88.2	Confident	84.1	Confident	8 Å²	8	61 Å²	61	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	119.4	175.4	-64.5	-71.8	0	0	0	109.2	V437 K438 G439 Q470 V471 I479 V487	V437-I447 HydrophobicContact CB-CG2 4.09Å; V437-I447 HydrophobicContact CG1-CG2 4.08Å; K438-I447 WeakPolarHBondContact O-CA 3.21Å; G439-I447 VanDerWaalsContact C-CD1 3.42Å; G439-I447 WeakPolarHBondContact O-CD1 3.4Å; I447-Q470 CarbonylContact O-C 3.55Å; I447-Q470 WeakPolarHBondContact O-CA 3.33Å; I447-V471 HydrophobicContact CB-CB 4.43Å; I447-V471 HydrophobicContact CG2-CB 3.84Å; I447-V471 HydrophobicContact CG2-CG2 3.99Å; I447-V471 PolarHBondContact O-N 3.47Å; I447-I479 HydrophobicContact CB-CD1 3.81Å; I447-I479 HydrophobicContact CG1-CD1 3.93Å; I447-I479 HydrophobicContact CG2-CD1 4.01Å; I447-V487 HydrophobicContact CD1-CB 4.05Å; I447-V487 HydrophobicContact CD1-CG1 3.92Å; I447-V487 HydrophobicContact CD1-CG2 3.95Å; I447-V487 HydrophobicContact CG1-CB 4.49Å; I447-V487 HydrophobicContact CG1-CG1 4.12Å; I447-V487 HydrophobicContact CG1-CG2 4.05Å; I447-V487 HydrophobicContact CG2-CG1 4.05Å
448	I	87.4	Confident	83.8	Confident	51 Å²	51	60.2 Å²	60.2	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138	-177.7	-67.8	166.1	0	0	0	109.7	V437 K438 P446 S450 D469	V437-I448 CarbonylContact C-O 3.59Å; V437-I448 WeakPolarHBondContact CA-O 3.36Å; K438-I448 PolarHBondContact N-O 2.79Å; K438-I448 PolarHBondContact O-N 3.08Å; P446-I448 HydrophobicContact CG-CD1 4.08Å; P446-I448 HydrophobicContact CG-CG1 4.38Å; P446-I448 PolarHBondContact O-N 3.5Å; I448-S450 PolarHBondContact O-N 2.93Å; I448-D469 CarbonylContact C-O 3.55Å; I448-D469 WeakPolarHBondContact CA-O 3.33Å
449	V	89.9	Confident	83.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	113.1	169	-179.1	0	0	0	0	108.7	F435 V452 L465 N466 G468 D469 V471	F435-V449 HydrophobicContact CB-CG1 4.42Å; F435-V449 HydrophobicContact CD2-CG1 4.36Å; F435-V449 HydrophobicContact CD2-CG2 4.35Å; V449-V452 HydrophobicContact CG1-CG2 3.67Å; V449-L465 HydrophobicContact CG1-CD2 4.07Å; V449-L465 HydrophobicContact CG1-CG 4.24Å; V449-L465 HydrophobicContact CG2-CD1 3.95Å; V449-L465 HydrophobicContact CG2-CD2 3.86Å; V449-L465 HydrophobicContact CG2-CG 3.97Å; V449-N466 WeakPolarHBondContact CB-O 3.48Å; V449-N466 WeakPolarHBondContact CG1-O 3.18Å; V449-G468 PolarHBondContact O-N 3.35Å; V449-D469 HydrophobicContact CG2-CB 4.32Å; V449-D469 PolarHBondContact N-O 2.77Å; V449-V471 HydrophobicContact CG2-CG2 4.1Å
450	S	86.1	Confident	83.2	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.203	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-17.1	-173	71.7	0	0	0	0	114.8	N436 K438 I448	N436-S450 WeakPolarHBondContact O-CA 3.23Å; N436-S450 PolarHBondContact O-N 3.47Å; N436-S450 PolarHBondContact O-OG 3.07Å; K438-S450 VanDerWaalsContact CD-CB 3.41Å; K438-S450 VanDerWaalsContact CG-CB 3.5Å; I448-S450 PolarHBondContact O-N 2.93Å
451	R	83	Confident	82.8	Confident	169 Å²	169	61.2 Å²	61.2	64%	0.638	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.6	145.2	173.3	-151	179	-159.6	171.9	7.3	111.4	F435 N436 E467	F435-R451 CarbonylContact C-O 3.49Å; F435-R451 VanDerWaalsContact CA-O 3.24Å; F435-R451 WeakPolarHBondContact CA-O 3.29Å; F435-R451 WeakPolarHBondContact CB-O 3.21Å; N436-R451 HydrophobicContact CB-CB 4.11Å; N436-R451 PolarHBondContact N-O 2.85Å; N436-R451 PolarHBondContact O-N 2.93Å; R451-E467 WeakPolarHBondContact CA-OE1 3.26Å; R451-E467 WeakPolarHBondContact CG-OE1 3.12Å
452	V	87.3	Confident	81.9	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.085	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	168.2	-177.6	0	0	0	0	108.9	F435 V449 A458 D459 E467	F435-V452 HydrophobicContact CB-CG2 4.14Å; V449-V452 HydrophobicContact CG1-CG2 3.67Å; V452-A458 HydrophobicContact CG1-CB 4.07Å; V452-D459 HydrophobicContact CG1-CB 3.99Å; V452-E467 HydrophobicContact CB-CG 4.38Å; V452-E467 HydrophobicContact CG2-CG 4.17Å; V452-E467 PolarHBondContact N-OE1 3.27Å
453	A	81.8	Confident	81.5	Confident	40 Å²	40	60.7 Å²	60.7	33%	0.331	34%	0.335	S	S	.	.			trans	-86.2	127.1	-176.6	0	0	0	0	0	111.1	G434 G455 T456 D459	G434-A453 WeakPolarHBondContact O-CB 3.48Å; G434-A453 PolarHBondContact O-N 3.37Å; A453-G455 PolarHBondContact O-N 3.37Å; A453-T456 HydrophobicContact CB-CG2 3.72Å; A453-T456 WeakPolarHBondContact O-CB 3.31Å; A453-T456 WeakPolarHBondContact O-CG2 3.3Å; A453-T456 PolarHBondContact O-N 2.99Å; A453-T456 PolarHBondContact O-OG1 3.42Å; A453-D459 WeakPolarHBondContact O-CB 3.08Å
454	P	77.4	Confident	81.4	Confident	116 Å²	116	62.3 Å²	62.3	75%	0.753	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	138.2	-178.7	-27.2	35.2	0	0	0	113.5	T456 D459	P454-T456 VanDerWaalsContact C-N 3.3Å; P454-T456 PolarHBondContact O-N 3.19Å; P454-D459 VanDerWaalsContact CA-OD2 3.32Å; P454-D459 WeakPolarHBondContact CA-OD2 3.17Å
455	G	75.3	Confident	81.7	Confident	54 Å²	54	53.1 Å²	53.1	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	13.7	178.9	0	0	0	0	0	115.5	A453 D459	A453-G455 PolarHBondContact O-N 3.37Å; G455-D459 PolarHBondContact N-OD2 3.29Å
456	T	83.9	Confident	81.8	Confident	27 Å²	27	50.1 Å²	50.1	17%	0.166	28%	0.284	C	S	.	.	S	Bend	trans	-100.2	169.6	175.5	65.9	0	0	0	0	112.4	G434 A453 P454 A458 D459 L460	G434-T456 WeakPolarHBondContact CA-OG1 3.34Å; G434-T456 PolarHBondContact O-OG1 3.49Å; A453-T456 HydrophobicContact CB-CG2 3.72Å; A453-T456 WeakPolarHBondContact O-CB 3.31Å; A453-T456 WeakPolarHBondContact O-CG2 3.3Å; A453-T456 PolarHBondContact O-N 2.99Å; A453-T456 PolarHBondContact O-OG1 3.42Å; P454-T456 VanDerWaalsContact C-N 3.3Å; P454-T456 PolarHBondContact O-N 3.19Å; T456-A458 PolarHBondContact O-N 3.46Å; T456-A458 VanDerWaalsContact O-N 3.14Å; T456-D459 WeakPolarHBondContact O-CA 3.37Å; T456-D459 WeakPolarHBondContact O-CB 3.45Å; T456-D459 PolarHBondContact O-N 3.08Å; T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 2.96Å
457	S	83.2	Confident	81.9	Confident	27 Å²	27	52.6 Å²	52.6	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-54.7	-33.6	-177.8	-55	0	0	0	0	115	R426 C461	R426-S457 WeakPolarHBondContact O-CB 3.45Å; R426-S457 PolarHBondContact O-OG 3.21Å; S457-C461 WeakPolarHBondContact O-CB 3.39Å; S457-C461 PolarHBondContact O-N 3.09Å
458	A	84.6	Confident	81.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-77.5	-22	175.5	0	0	0	0	0	113.9	M425 F433 F435 V452 T456 C461 L465	M425-A458 HydrophobicContact CE-CB 3.98Å; M425-A458 HydrophobicContact SD-CB 4Å; F433-A458 WeakPolarHBondContact O-CB 3.43Å; F433-A458 PolarHBondContact O-N 3.44Å; F435-A458 HydrophobicContact CB-CB 3.9Å; F435-A458 HydrophobicContact CD1-CB 3.77Å; F435-A458 HydrophobicContact CG-CB 4.2Å; V452-A458 HydrophobicContact CG1-CB 4.07Å; T456-A458 PolarHBondContact O-N 3.46Å; T456-A458 VanDerWaalsContact O-N 3.14Å; A458-C461 PolarHBondContact O-SG 2.91Å; A458-C461 VanDerWaalsContact O-SG 3.33Å; A458-L465 HydrophobicContact CB-CB 4.36Å; A458-L465 HydrophobicContact CB-CD2 4.08Å; A458-L465 PolarHBondContact O-N 3.39Å
459	D	82.8	Confident	81.5	Confident	26 Å²	26	50.8 Å²	50.8	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-82.9	-30	174.3	-167.7	51.4	0	0	0	112.1	V452 A453 P454 G455 T456 R464	V452-D459 HydrophobicContact CG1-CB 3.99Å; A453-D459 WeakPolarHBondContact O-CB 3.08Å; P454-D459 VanDerWaalsContact CA-OD2 3.32Å; P454-D459 WeakPolarHBondContact CA-OD2 3.17Å; G455-D459 PolarHBondContact N-OD2 3.29Å; T456-D459 WeakPolarHBondContact O-CA 3.37Å; T456-D459 WeakPolarHBondContact O-CB 3.45Å; T456-D459 PolarHBondContact O-N 3.08Å; D459-R464 VanDerWaalsContact O-CD 3.3Å; D459-R464 WeakPolarHBondContact O-CD 3.38Å; D459-R464 WeakPolarHBondContact O-CG 3.34Å; D459-R464 PolarHBondContact O-NE 3.49Å; D459-R464 IonicContact OD1-CZ 2.68Å; D459-R464 IonicContact OD1-NE 2.69Å; D459-R464 PolarHBondContact OD1-NE 2.86Å; D459-R464 IonicContact OD1-NH2 3.18Å; D459-R464 PolarHBondContact OD1-NH2 2.97Å
460	L	77.2	Confident	81.4	Confident	121 Å²	121	53.4 Å²	53.4	63%	0.634	30%	0.298	S	S	*	.	H	α-helix	trans	-99.3	-7	-176.1	-61.1	175.5	0	0	0	114	T456	T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 2.96Å
461	C	77.6	Confident	81.5	Confident	14 Å²	14	52.2 Å²	52.2	10%	0.095	29%	0.29	C	S	.	.	S	Bend	trans	-68.6	151.2	176	67.5	0	0	0	0	111.2	I423 M425 S457 A458 P463 R464 L465	I423-C461 HydrophobicContact CG2-CB 4.4Å; M425-C461 HydrophobicContact CB-CB 4.23Å; M425-C461 HydrophobicContact CE-CB 4.47Å; S457-C461 WeakPolarHBondContact O-CB 3.39Å; S457-C461 PolarHBondContact O-N 3.09Å; A458-C461 PolarHBondContact O-SG 2.91Å; A458-C461 VanDerWaalsContact O-SG 3.33Å; C461-P463 CarbonylContact O-C 3.52Å; C461-P463 VanDerWaalsContact O-C 3.23Å; C461-P463 PolarHBondContact SG-O 3.05Å; C461-R464 WeakPolarHBondContact O-CA 3.49Å; C461-R464 PolarHBondContact O-N 3.07Å; C461-R464 VanDerWaalsContact O-N 3.08Å; C461-L465 PolarHBondContact SG-N 3.32Å
462	V	65.6	Low	81.7	Confident	95 Å²	95	45.3 Å²	45.3	58%	0.576	27%	0.266	S	S	*	.	S	Bend	trans	-119.6	118.9	175.6	-178.2	0	0	0	0	108.3	N412	N412-V462 WeakPolarHBondContact CB-O 3.31Å; N412-V462 PolarHBondContact ND2-O 3.28Å
463	P	74.3	Confident	81.6	Confident	27 Å²	27	45.7 Å²	45.7	18%	0.175	27%	0.268	C	S	.	.	S	Bend	cis	-72	149.9	-3.3	33.5	-32.9	0	0	0	111.4	V421 I423 C461 Y512	V421-P463 HydrophobicContact CG1-CG 3.42Å; V421-P463 VanDerWaalsContact CG1-CG 3.42Å; I423-P463 HydrophobicContact CG1-CG 4.19Å; C461-P463 CarbonylContact O-C 3.52Å; C461-P463 VanDerWaalsContact O-C 3.23Å; C461-P463 PolarHBondContact SG-O 3.05Å; P463-Y512 HydrophobicContact CB-CD1 3.86Å; P463-Y512 HydrophobicContact CB-CE1 3.69Å; P463-Y512 HydrophobicContact CG-CE1 4.38Å
464	R	80.1	Confident	81.9	Confident	129 Å²	129	44 Å²	44	49%	0.487	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.3	127.5	-173.4	177.6	172.5	178.1	-132.2	6	111.6	D459 C461 N466 Y512	D459-R464 VanDerWaalsContact O-CD 3.3Å; D459-R464 WeakPolarHBondContact O-CD 3.38Å; D459-R464 WeakPolarHBondContact O-CG 3.34Å; D459-R464 PolarHBondContact O-NE 3.49Å; D459-R464 IonicContact OD1-CZ 2.68Å; D459-R464 IonicContact OD1-NE 2.69Å; D459-R464 PolarHBondContact OD1-NE 2.86Å; D459-R464 IonicContact OD1-NH2 3.18Å; D459-R464 PolarHBondContact OD1-NH2 2.97Å; C461-R464 WeakPolarHBondContact O-CA 3.49Å; C461-R464 PolarHBondContact O-N 3.07Å; C461-R464 VanDerWaalsContact O-N 3.08Å; R464-N466 PolarHBondContact O-N 3.23Å; R464-N466 PolarHBondContact O-ND2 3.28Å; R464-Y512 VanDerWaalsContact O-CE1 3.23Å; R464-Y512 WeakPolarHBondContact O-CE1 3.3Å; R464-Y512 PolarHBondContact O-OH 3.1Å
465	L	85.3	Confident	82.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.7	129.1	175.7	-169.6	71.7	0	0	0	109.5	I423 M425 F435 V449 A458 C461 L504 V506	I423-L465 HydrophobicContact CD1-CB 4.37Å; I423-L465 HydrophobicContact CD1-CD1 3.59Å; M425-L465 HydrophobicContact CE-CB 4.34Å; M425-L465 HydrophobicContact CE-CD2 4.17Å; F435-L465 HydrophobicContact CB-CD2 3.92Å; F435-L465 HydrophobicContact CD1-CD2 3.94Å; F435-L465 HydrophobicContact CD2-CD2 3.7Å; F435-L465 HydrophobicContact CE1-CD2 4.37Å; F435-L465 HydrophobicContact CE2-CD2 4.16Å; F435-L465 HydrophobicContact CG-CD2 3.58Å; F435-L465 HydrophobicContact CZ-CD2 4.48Å; V449-L465 HydrophobicContact CG1-CD2 4.07Å; V449-L465 HydrophobicContact CG1-CG 4.24Å; V449-L465 HydrophobicContact CG2-CD1 3.95Å; V449-L465 HydrophobicContact CG2-CD2 3.86Å; V449-L465 HydrophobicContact CG2-CG 3.97Å; A458-L465 HydrophobicContact CB-CB 4.36Å; A458-L465 HydrophobicContact CB-CD2 4.08Å; A458-L465 PolarHBondContact O-N 3.39Å; C461-L465 PolarHBondContact SG-N 3.32Å; L465-L504 HydrophobicContact CD1-CD1 4.34Å; L465-L504 HydrophobicContact CD2-CD1 4.36Å; L465-V506 HydrophobicContact CD1-CG1 4.08Å
466	N	83.4	Confident	82.2	Confident	46 Å²	46	41.3 Å²	41.3	25%	0.246	23%	0.23	C	C	.	.			trans	-108.4	151.8	-177.2	-66.4	-75.1	0	0	0	112.9	V449 R464 G468 D469 Y512	V449-N466 WeakPolarHBondContact CB-O 3.48Å; V449-N466 WeakPolarHBondContact CG1-O 3.18Å; R464-N466 PolarHBondContact O-N 3.23Å; R464-N466 PolarHBondContact O-ND2 3.28Å; N466-G468 PolarHBondContact O-N 3.46Å; N466-D469 PolarHBondContact N-OD2 3.43Å; N466-D469 VanDerWaalsContact N-OD2 3.12Å; N466-D469 PolarHBondContact O-N 2.99Å; N466-Y512 WeakPolarHBondContact ND2-CE1 3.45Å; N466-Y512 PolarHBondContact ND2-OH 3.37Å
467	E	85.7	Confident	82	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	124.8	169.3	-59.8	-170.1	172.1	0	0	109.9	R451 V452	R451-E467 WeakPolarHBondContact CA-OE1 3.26Å; R451-E467 WeakPolarHBondContact CG-OE1 3.12Å; V452-E467 HydrophobicContact CB-CG 4.38Å; V452-E467 HydrophobicContact CG2-CG 4.17Å; V452-E467 PolarHBondContact N-OE1 3.27Å
468	G	80.3	Confident	82	Confident	20 Å²	20	48 Å²	48	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.5	-15.5	-174.3	0	0	0	0	0	114.8	V449 N466 Q470 N509	V449-G468 PolarHBondContact O-N 3.35Å; N466-G468 PolarHBondContact O-N 3.46Å; G468-Q470 PolarHBondContact O-N 3.21Å; G468-N509 WeakPolarHBondContact O-CB 3.37Å
469	D	86.3	Confident	82.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.1	132.9	-179	-73.8	-13.6	0	0	0	111.8	I448 V449 N466 V506 P508 N509 Y512	I448-D469 CarbonylContact C-O 3.55Å; I448-D469 WeakPolarHBondContact CA-O 3.33Å; V449-D469 HydrophobicContact CG2-CB 4.32Å; V449-D469 PolarHBondContact N-O 2.77Å; N466-D469 PolarHBondContact N-OD2 3.43Å; N466-D469 VanDerWaalsContact N-OD2 3.12Å; N466-D469 PolarHBondContact O-N 2.99Å; D469-V506 HydrophobicContact CB-CB 4.47Å; D469-P508 WeakPolarHBondContact OD1-CA 3.48Å; D469-N509 PolarHBondContact OD1-N 2.65Å; D469-Y512 PolarHBondContact OD2-OH 3.4Å
470	Q	88.1	Confident	81.9	Confident	55 Å²	55	50.7 Å²	50.7	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.6	178.3	176.2	-173.8	18.8	0	0	109.6	P446 I447 G468 V506 R507	P446-Q470 HydrophobicContact CB-CG 4.21Å; P446-Q470 VanDerWaalsContact CB-NE2 3.35Å; I447-Q470 CarbonylContact O-C 3.55Å; I447-Q470 WeakPolarHBondContact O-CA 3.33Å; G468-Q470 PolarHBondContact O-N 3.21Å; Q470-V506 CarbonylContact O-C 3.53Å; Q470-V506 WeakPolarHBondContact O-CA 3.27Å; Q470-R507 HydrophobicContact CB-CB 4.26Å; Q470-R507 PolarHBondContact N-O 3.35Å; Q470-R507 PolarHBondContact O-N 3.2Å
471	V	88.3	Confident	82.2	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.7	173.3	-168.1	0	0	0	0	109.1	I447 V449 I474 I479 L504 V506	I447-V471 HydrophobicContact CB-CB 4.43Å; I447-V471 HydrophobicContact CG2-CB 3.84Å; I447-V471 HydrophobicContact CG2-CG2 3.99Å; I447-V471 PolarHBondContact O-N 3.47Å; V449-V471 HydrophobicContact CG2-CG2 4.1Å; V471-I474 HydrophobicContact CG1-CD1 4.24Å; V471-I474 HydrophobicContact CG1-CG1 3.85Å; V471-I479 HydrophobicContact CB-CD1 3.82Å; V471-I479 HydrophobicContact CG1-CD1 3.66Å; V471-L504 HydrophobicContact CG1-CD2 4.14Å; V471-V506 HydrophobicContact CG2-CG1 4.36Å
472	V	86.6	Confident	82.7	Confident	24 Å²	24	53.2 Å²	53.2	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-46.3	-178	-176	0	0	0	0	111.1	L420 I479 L505 R507	L420-V472 HydrophobicContact CD2-CG2 4.19Å; V472-I479 WeakPolarHBondContact O-CG1 3.47Å; V472-I479 PolarHBondContact O-N 3.43Å; V472-L505 WeakPolarHBondContact CA-O 3.44Å; V472-L505 WeakPolarHBondContact CB-O 3.43Å; V472-L505 PolarHBondContact N-O 3.37Å; V472-R507 HydrophobicContact CG2-CB 4.31Å
473	L	86.9	Confident	83.8	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	174.5	-50.6	178.5	0	0	0	111.4	R477 D478 L504 L505	L473-R477 CarbonylContact C-O 3.56Å; L473-R477 VanDerWaalsContact CA-O 3.25Å; L473-R477 WeakPolarHBondContact CA-O 3.33Å; L473-D478 HydrophobicContact CD2-CB 3.91Å; L473-L504 WeakPolarHBondContact O-CA 3.37Å; L473-L505 HydrophobicContact CB-CB 3.8Å; L473-L505 HydrophobicContact CD1-CB 4.13Å; L473-L505 HydrophobicContact CD1-CD2 3.6Å; L473-L505 HydrophobicContact CG-CB 3.98Å; L473-L505 HydrophobicContact CG-CD2 3.91Å; L473-L505 PolarHBondContact N-O 3.24Å; L473-L505 PolarHBondContact O-N 3.23Å
474	I	87.4	Confident	84.3	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.6	169.5	-56	-171.6	0	0	0	108.8	V471 G476 R477 I479 V487 F490 I491 L502 I503 L504	V471-I474 HydrophobicContact CG1-CD1 4.24Å; V471-I474 HydrophobicContact CG1-CG1 3.85Å; I474-G476 PolarHBondContact O-N 2.98Å; I474-R477 PolarHBondContact N-O 3.39Å; I474-R477 WeakPolarHBondContact O-CB 3.39Å; I474-R477 PolarHBondContact O-N 3.08Å; I474-I479 HydrophobicContact CB-CG2 4.21Å; I474-I479 HydrophobicContact CD1-CD1 4.23Å; I474-I479 HydrophobicContact CD1-CG2 4.03Å; I474-I479 HydrophobicContact CG1-CD1 4.22Å; I474-I479 HydrophobicContact CG1-CG2 3.87Å; I474-V487 HydrophobicContact CD1-CG1 3.78Å; I474-F490 HydrophobicContact CG2-CB 4.3Å; I474-I491 HydrophobicContact CD1-CD1 4.11Å; I474-I491 HydrophobicContact CD1-CG1 3.75Å; I474-L502 HydrophobicContact CG2-CD1 3.82Å; I474-I503 CarbonylContact C-O 3.52Å; I474-I503 WeakPolarHBondContact CA-O 3.21Å; I474-L504 HydrophobicContact CB-CD2 4.41Å; I474-L504 HydrophobicContact CD1-CD2 4.26Å; I474-L504 HydrophobicContact CG1-CD2 3.84Å; I474-L504 HydrophobicContact CG2-CD2 4.23Å
475	N	83.9	Confident	84.6	Confident	70 Å²	70	51.3 Å²	51.3	37%	0.374	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	42.3	-174.5	-59.4	-18.3	0	0	0	113.2	R477 S494 I503	N475-R477 VanDerWaalsContact C-N 3.26Å; N475-R477 PolarHBondContact O-N 3.48Å; N475-S494 PolarHBondContact ND2-OG 2.66Å; N475-I503 PolarHBondContact N-O 3.27Å; N475-I503 PolarHBondContact OD1-N 3.01Å; N475-I503 PolarHBondContact OD1-O 3.11Å
476	G	74.1	Confident	84.6	Confident	43 Å²	43	55.1 Å²	55.1	44%	0.443	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-2.5	-177.9	0	0	0	0	0	115.7	I474	I474-G476 PolarHBondContact O-N 2.98Å
477	R	79.9	Confident	84.8	Confident	135 Å²	135	52.9 Å²	52.9	51%	0.509	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.5	173.5	-176.2	-178.7	-64.4	-142.5	-0.5	110.9	L473 I474 N475	L473-R477 CarbonylContact C-O 3.56Å; L473-R477 VanDerWaalsContact CA-O 3.25Å; L473-R477 WeakPolarHBondContact CA-O 3.33Å; I474-R477 PolarHBondContact N-O 3.39Å; I474-R477 WeakPolarHBondContact O-CB 3.39Å; I474-R477 PolarHBondContact O-N 3.08Å; N475-R477 VanDerWaalsContact C-N 3.26Å; N475-R477 PolarHBondContact O-N 3.48Å
478	D	83.4	Confident	84.8	Confident	61 Å²	61	49.4 Å²	49.4	33%	0.326	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.4	170	-165.2	-32.6	0	0	0	110.8	L473 S480 H482	L473-D478 HydrophobicContact CD2-CB 3.91Å; D478-S480 VanDerWaalsContact OD1-CB 3.25Å; D478-S480 WeakPolarHBondContact OD1-CB 3.47Å; D478-S480 PolarHBondContact OD1-N 2.92Å; D478-S480 PolarHBondContact OD1-OG 2.97Å; D478-H482 PolarHBondContact O-CE1 2.82Å; D478-H482 PolarHBondContact O-ND1 3.48Å
479	I	86.3	Confident	85.1	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	29%	0.287	C	S	.	.			trans	-109.2	3.5	-176.8	54	151.4	0	0	0	114	I447 V471 V472 I474 D481 H482 V487 F490	I447-I479 HydrophobicContact CB-CD1 3.81Å; I447-I479 HydrophobicContact CG1-CD1 3.93Å; I447-I479 HydrophobicContact CG2-CD1 4.01Å; V471-I479 HydrophobicContact CB-CD1 3.82Å; V471-I479 HydrophobicContact CG1-CD1 3.66Å; V472-I479 WeakPolarHBondContact O-CG1 3.47Å; V472-I479 PolarHBondContact O-N 3.43Å; I474-I479 HydrophobicContact CB-CG2 4.21Å; I474-I479 HydrophobicContact CD1-CD1 4.23Å; I474-I479 HydrophobicContact CD1-CG2 4.03Å; I474-I479 HydrophobicContact CG1-CD1 4.22Å; I474-I479 HydrophobicContact CG1-CG2 3.87Å; I479-D481 PolarHBondContact O-N 3.29Å; I479-H482 PolarHBondContact O-N 3.34Å; I479-H482 VanDerWaalsContact O-N 3.17Å; I479-V487 HydrophobicContact CB-CG2 4.08Å; I479-V487 HydrophobicContact CD1-CG1 4.38Å; I479-V487 HydrophobicContact CG2-CG2 4.23Å; I479-F490 HydrophobicContact CG2-CD2 4.27Å
480	S	79.5	Confident	85.1	Confident	78 Å²	78	55.1 Å²	55.1	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-44.6	-178.4	49.6	0	0	0	0	114.1	D478	D478-S480 VanDerWaalsContact OD1-CB 3.25Å; D478-S480 WeakPolarHBondContact OD1-CB 3.47Å; D478-S480 PolarHBondContact OD1-N 2.92Å; D478-S480 PolarHBondContact OD1-OG 2.97Å
481	D	83.6	Confident	85	Confident	145 Å²	145	53.5 Å²	53.5	78%	0.775	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	5.9	-179.7	-70.1	-34.9	0	0	0	114.5	I479	I479-D481 PolarHBondContact O-N 3.29Å
482	H	88	Confident	84.6	Confident	42 Å²	42	60.1 Å²	60.1	19%	0.194	32%	0.315	C	S	.	.			trans	-94.9	147.4	-174.4	-70.5	87.9	0	0	0	113.1	A441 D478 I479 Q486 V487 F490	A441-H482 WeakPolarHBondContact CB-O 3.34Å; A441-H482 PolarHBondContact N-O 3.28Å; D478-H482 PolarHBondContact O-CE1 2.82Å; D478-H482 PolarHBondContact O-ND1 3.48Å; I479-H482 PolarHBondContact O-N 3.34Å; I479-H482 VanDerWaalsContact O-N 3.17Å; H482-Q486 HydrophobicContact CB-CB 4.38Å; H482-V487 HydrophobicContact CB-CG2 3.86Å; H482-F490 HydrophobicContact CB-CE2 4.43Å; H482-F490 AromaticContact CD2-CE2 3.4Å; H482-F490 VanDerWaalsContact CD2-CE2 3.4Å; H482-F490 WeakPolarHBondContact CD2-CE2 3.39Å; H482-F490 AromaticContact CD2-CZ 3.59Å; H482-F490 AromaticContact CG-CE2 3.86Å; H482-F490 AromaticContact NE2-CE2 3.65Å; H482-F490 AromaticContact NE2-CZ 3.66Å
483	T	88.7	Confident	84.3	Confident	46 Å²	46	61.2 Å²	61.2	28%	0.282	33%	0.327	S	S	.	.			trans	-75.6	158.8	176.1	67.1	0	0	0	0	111.9	D442 D485 Q486 V487	D442-T483 HydrophobicContact CB-CG2 4.17Å; D442-T483 VanDerWaalsContact OD1-CA 3.23Å; D442-T483 WeakPolarHBondContact OD1-CA 3.41Å; D442-T483 WeakPolarHBondContact OD1-CB 3.37Å; T483-D485 VanDerWaalsContact C-N 3.31Å; T483-D485 PolarHBondContact O-N 2.95Å; T483-Q486 WeakPolarHBondContact O-CB 3.38Å; T483-Q486 PolarHBondContact O-N 2.85Å; T483-Q486 VanDerWaalsContact O-N 3.1Å; T483-Q486 VanDerWaalsContact OG1-CD 3.31Å; T483-Q486 VanDerWaalsContact OG1-CG 3.3Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.26Å; T483-Q486 PolarHBondContact OG1-OE1 2.96Å; T483-V487 WeakPolarHBondContact O-CG2 3.25Å; T483-V487 PolarHBondContact O-N 3.21Å
484	H	84.9	Confident	84	Confident	42 Å²	42	60.2 Å²	60.2	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-47.8	-50.9	178.1	-174.4	76	0	0	0	113.1	V437 G439 D442 Q486 V487 V488	V437-H484 PolarHBondContact O-CE1 3.2Å; G439-H484 WeakPolarHBondContact O-CB 3.36Å; G439-H484 PolarHBondContact O-ND1 3.1Å; D442-H484 PolarHBondContact OD1-N 3.15Å; H484-Q486 VanDerWaalsContact C-N 3.34Å; H484-Q486 PolarHBondContact O-N 3.1Å; H484-V487 PolarHBondContact O-N 3.2Å; H484-V488 WeakPolarHBondContact O-CG2 3.32Å; H484-V488 PolarHBondContact O-N 3.15Å
485	D	86	Confident	83	Confident	124 Å²	124	62.2 Å²	62.2	66%	0.663	34%	0.335	S	S	*	.	H	α-helix	trans	-66	-35.7	-177.6	-66.1	-28.8	0	0	0	112.5	T483 M489	T483-D485 VanDerWaalsContact C-N 3.31Å; T483-D485 PolarHBondContact O-N 2.95Å; D485-M489 VanDerWaalsContact O-CB 3.29Å; D485-M489 WeakPolarHBondContact O-CB 3.39Å; D485-M489 PolarHBondContact O-N 3.34Å
486	Q	86.3	Confident	81.8	Confident	80 Å²	80	67.1 Å²	67.1	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-40.3	175	-70.3	169.4	-21.3	0	0	111.4	H482 T483 H484 M489 F490	H482-Q486 HydrophobicContact CB-CB 4.38Å; T483-Q486 WeakPolarHBondContact O-CB 3.38Å; T483-Q486 PolarHBondContact O-N 2.85Å; T483-Q486 VanDerWaalsContact O-N 3.1Å; T483-Q486 VanDerWaalsContact OG1-CD 3.31Å; T483-Q486 VanDerWaalsContact OG1-CG 3.3Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.26Å; T483-Q486 PolarHBondContact OG1-OE1 2.96Å; H484-Q486 VanDerWaalsContact C-N 3.34Å; H484-Q486 PolarHBondContact O-N 3.1Å; Q486-M489 WeakPolarHBondContact O-CB 3.46Å; Q486-M489 PolarHBondContact O-N 3.36Å; Q486-F490 HydrophobicContact CB-CE2 4.4Å; Q486-F490 HydrophobicContact CB-CZ 4.42Å; Q486-F490 VanDerWaalsContact O-CD2 3.28Å; Q486-F490 WeakPolarHBondContact O-CD2 3.28Å; Q486-F490 VanDerWaalsContact O-CG 3.24Å; Q486-F490 WeakPolarHBondContact O-CG 3.33Å; Q486-F490 PolarHBondContact O-N 3.15Å
487	V	86.8	Confident	81	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-44.3	177.3	174.2	0	0	0	0	111.1	I447 I474 I479 H482 T483 H484 M489 F490 I491	I447-V487 HydrophobicContact CD1-CB 4.05Å; I447-V487 HydrophobicContact CD1-CG1 3.92Å; I447-V487 HydrophobicContact CD1-CG2 3.95Å; I447-V487 HydrophobicContact CG1-CB 4.49Å; I447-V487 HydrophobicContact CG1-CG1 4.12Å; I447-V487 HydrophobicContact CG1-CG2 4.05Å; I447-V487 HydrophobicContact CG2-CG1 4.05Å; I474-V487 HydrophobicContact CD1-CG1 3.78Å; I479-V487 HydrophobicContact CB-CG2 4.08Å; I479-V487 HydrophobicContact CD1-CG1 4.38Å; I479-V487 HydrophobicContact CG2-CG2 4.23Å; H482-V487 HydrophobicContact CB-CG2 3.86Å; T483-V487 WeakPolarHBondContact O-CG2 3.25Å; T483-V487 PolarHBondContact O-N 3.21Å; H484-V487 PolarHBondContact O-N 3.2Å; V487-M489 VanDerWaalsContact C-N 3.29Å; V487-M489 PolarHBondContact O-N 2.59Å; V487-F490 PolarHBondContact O-N 2.76Å; V487-I491 HydrophobicContact CG1-CD1 4.32Å; V487-I491 WeakPolarHBondContact O-CG1 3.24Å; V487-I491 PolarHBondContact O-N 2.97Å; V487-I491 VanDerWaalsContact O-N 3.1Å
488	V	86.4	Confident	79.6	Confident	38 Å²	38	70.8 Å²	70.8	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-37.6	173.3	172.9	0	0	0	0	111.3	V437 H484 I491 K492	V437-V488 HydrophobicContact CG2-CG2 3.94Å; H484-V488 WeakPolarHBondContact O-CG2 3.32Å; H484-V488 PolarHBondContact O-N 3.15Å; V488-I491 PolarHBondContact O-N 3.12Å; V488-K492 HydrophobicContact CG1-CD 4.21Å; V488-K492 WeakPolarHBondContact O-CG 3.45Å; V488-K492 PolarHBondContact O-N 3.02Å; V488-K492 VanDerWaalsContact O-N 3.07Å
489	M	85.1	Confident	78.6	Confident	108 Å²	108	71.1 Å²	71.1	53%	0.532	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174.5	-175.2	-173.3	71.3	0	0	112	D485 Q486 V487 I491 K492 A493	D485-M489 VanDerWaalsContact O-CB 3.29Å; D485-M489 WeakPolarHBondContact O-CB 3.39Å; D485-M489 PolarHBondContact O-N 3.34Å; Q486-M489 WeakPolarHBondContact O-CB 3.46Å; Q486-M489 PolarHBondContact O-N 3.36Å; V487-M489 VanDerWaalsContact C-N 3.29Å; V487-M489 PolarHBondContact O-N 2.59Å; M489-I491 PolarHBondContact O-N 3.06Å; M489-K492 PolarHBondContact O-N 2.78Å; M489-A493 VanDerWaalsContact O-CB 3.29Å; M489-A493 WeakPolarHBondContact O-CB 3.4Å; M489-A493 PolarHBondContact O-N 2.66Å
490	F	86.4	Confident	77.8	Confident	32 Å²	32	72.2 Å²	72.2	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176.9	-59.3	-34.5	0	0	0	112.7	I474 I479 H482 Q486 V487 S494	I474-F490 HydrophobicContact CG2-CB 4.3Å; I479-F490 HydrophobicContact CG2-CD2 4.27Å; H482-F490 HydrophobicContact CB-CE2 4.43Å; H482-F490 AromaticContact CD2-CE2 3.4Å; H482-F490 VanDerWaalsContact CD2-CE2 3.4Å; H482-F490 WeakPolarHBondContact CD2-CE2 3.39Å; H482-F490 AromaticContact CD2-CZ 3.59Å; H482-F490 AromaticContact CG-CE2 3.86Å; H482-F490 AromaticContact NE2-CE2 3.65Å; H482-F490 AromaticContact NE2-CZ 3.66Å; Q486-F490 HydrophobicContact CB-CE2 4.4Å; Q486-F490 HydrophobicContact CB-CZ 4.42Å; Q486-F490 VanDerWaalsContact O-CD2 3.28Å; Q486-F490 WeakPolarHBondContact O-CD2 3.28Å; Q486-F490 VanDerWaalsContact O-CG 3.24Å; Q486-F490 WeakPolarHBondContact O-CG 3.33Å; Q486-F490 PolarHBondContact O-N 3.15Å; V487-F490 PolarHBondContact O-N 2.76Å; F490-S494 PolarHBondContact O-N 2.79Å; F490-S494 PolarHBondContact O-OG 2.82Å
491	I	85.8	Confident	77.8	Confident	20 Å²	20	69.7 Å²	69.7	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-47.1	174.3	-66.4	163.5	0	0	0	110.2	F433 F435 V437 I474 V487 V488 M489 S494 L502	F433-I491 HydrophobicContact CD2-CG2 3.94Å; F433-I491 HydrophobicContact CE2-CG2 4.34Å; F433-I491 WeakPolarHBondContact CE2-O 3.32Å; F435-I491 HydrophobicContact CE1-CG2 4.49Å; F435-I491 HydrophobicContact CE2-CD1 4.14Å; F435-I491 HydrophobicContact CZ-CD1 4.06Å; F435-I491 HydrophobicContact CZ-CG1 4.47Å; F435-I491 HydrophobicContact CZ-CG2 4.18Å; V437-I491 HydrophobicContact CG1-CD1 4.13Å; V437-I491 HydrophobicContact CG2-CD1 4.25Å; I474-I491 HydrophobicContact CD1-CD1 4.11Å; I474-I491 HydrophobicContact CD1-CG1 3.75Å; V487-I491 HydrophobicContact CG1-CD1 4.32Å; V487-I491 WeakPolarHBondContact O-CG1 3.24Å; V487-I491 PolarHBondContact O-N 2.97Å; V487-I491 VanDerWaalsContact O-N 3.1Å; V488-I491 PolarHBondContact O-N 3.12Å; M489-I491 PolarHBondContact O-N 3.06Å; I491-S494 VanDerWaalsContact O-CB 3.27Å; I491-S494 WeakPolarHBondContact O-CB 3.19Å; I491-S494 PolarHBondContact O-N 3.32Å; I491-S494 PolarHBondContact O-OG 3.42Å; I491-L502 HydrophobicContact CG2-CD2 4.07Å
492	K	81.4	Confident	77.9	Confident	144 Å²	144	62.8 Å²	62.8	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-66.5	-42.9	178.9	-71	175.6	179.8	178.5	0	113.1	V488 M489 S494 C495	V488-K492 HydrophobicContact CG1-CD 4.21Å; V488-K492 WeakPolarHBondContact O-CG 3.45Å; V488-K492 PolarHBondContact O-N 3.02Å; V488-K492 VanDerWaalsContact O-N 3.07Å; M489-K492 PolarHBondContact O-N 2.78Å; K492-S494 PolarHBondContact O-N 2.88Å; K492-S494 VanDerWaalsContact O-N 3.12Å; K492-C495 WeakPolarHBondContact O-CB 3.31Å; K492-C495 PolarHBondContact O-N 3.44Å
493	A	80.4	Confident	77.8	Confident	47 Å²	47	63.4 Å²	63.4	39%	0.388	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-16.3	177.4	0	0	0	0	0	113.2	M489 C495 E496 S497	M489-A493 VanDerWaalsContact O-CB 3.29Å; M489-A493 WeakPolarHBondContact O-CB 3.4Å; M489-A493 PolarHBondContact O-N 2.66Å; A493-C495 PolarHBondContact O-N 2.66Å; A493-E496 PolarHBondContact O-N 2.97Å; A493-E496 VanDerWaalsContact O-N 3.09Å; A493-S497 PolarHBondContact O-N 2.92Å
494	S	78.9	Confident	77.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15	172.6	-55.3	0	0	0	0	113.3	N475 F490 I491 K492 S497 L502	N475-S494 PolarHBondContact ND2-OG 2.66Å; F490-S494 PolarHBondContact O-N 2.79Å; F490-S494 PolarHBondContact O-OG 2.82Å; I491-S494 VanDerWaalsContact O-CB 3.27Å; I491-S494 WeakPolarHBondContact O-CB 3.19Å; I491-S494 PolarHBondContact O-N 3.32Å; I491-S494 PolarHBondContact O-OG 3.42Å; K492-S494 PolarHBondContact O-N 2.88Å; K492-S494 VanDerWaalsContact O-N 3.12Å; S494-S497 PolarHBondContact O-OG 3.5Å; S494-L502 VanDerWaalsContact OG-CD1 3.3Å; S494-L502 WeakPolarHBondContact OG-CD1 3.38Å
495	C	66.2	Low	77.8	Confident	46 Å²	46	60.2 Å²	60.2	31%	0.311	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.5	170.6	-59.4	0	0	0	0	113.3	G431 F433 K492 A493	G431-C495 PolarHBondContact O-SG 2.67Å; F433-C495 WeakPolarHBondContact CE2-SG 3.33Å; K492-C495 WeakPolarHBondContact O-CB 3.31Å; K492-C495 PolarHBondContact O-N 3.44Å; A493-C495 PolarHBondContact O-N 2.66Å
496	E	59.3	Low	77.9	Confident	173 Å²	173	54.3 Å²	54.3	81%	0.808	29%	0.289	S	S	*	.	S	Bend	trans	-107.3	-0.1	-176.2	-62.7	176.9	-175.8	0	0	112.5	A493	A493-E496 PolarHBondContact O-N 2.97Å; A493-E496 VanDerWaalsContact O-N 3.09Å
497	S	58.2	Low	77.8	Confident	43 Å²	43	55.5 Å²	55.5	30%	0.301	29%	0.29	S	S	.	.	S	Bend	trans	-76.9	156.6	178.3	71	0	0	0	0	111.8	A493 S494 S499 G500	A493-S497 PolarHBondContact O-N 2.92Å; S494-S497 PolarHBondContact O-OG 3.5Å; S497-S499 PolarHBondContact O-N 3.11Å; S497-S499 PolarHBondContact OG-OG 3.23Å; S497-G500 PolarHBondContact O-N 3.39Å; S497-G500 VanDerWaalsContact O-N 3.12Å; S497-G500 PolarHBondContact OG-N 2.84Å
498	H	51.1	Low	77.3	Confident	212 Å²	212	57.3 Å²	57.3	98%	0.981	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.5	178.1	-82.5	53.7	0	0	0	114.4
499	S	61.4	Low	76.1	Confident	68 Å²	68	61.4 Å²	61.4	48%	0.476	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-22.6	176.5	56.2	0	0	0	0	114.1	S497 E501	S497-S499 PolarHBondContact O-N 3.11Å; S497-S499 PolarHBondContact OG-OG 3.23Å; S499-E501 WeakPolarHBondContact O-CG 3.22Å; S499-E501 PolarHBondContact O-N 3.18Å; S499-E501 VanDerWaalsContact O-N 3.17Å
500	G	69.3	Low	74.3	Confident	27 Å²	27	59.1 Å²	59.1	28%	0.278	32%	0.321	S	S	.	.			trans	59.8	20.2	-173.8	0	0	0	0	0	114.4	P427 S497	P427-G500 WeakPolarHBondContact CD-O 3.21Å; S497-G500 PolarHBondContact O-N 3.39Å; S497-G500 VanDerWaalsContact O-N 3.12Å; S497-G500 PolarHBondContact OG-N 2.84Å
501	E	79.8	Confident	72.3	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.117	35%	0.353	C	S	.	.			trans	-129.7	134.2	-169.1	-76.1	172.9	154.8	0	0	110.5	K424 R426 S499	K424-E501 WeakPolarHBondContact CE-OE1 3.45Å; K424-E501 WeakPolarHBondContact CE-OE2 3.29Å; K424-E501 IonicContact NZ-OE1 3.67Å; K424-E501 IonicContact NZ-OE2 2.89Å; K424-E501 PolarHBondContact NZ-OE2 3.43Å; R426-E501 HydrophobicContact CG-CG 3.68Å; R426-E501 IonicContact CZ-OE1 3.21Å; R426-E501 IonicContact NE-OE1 2.83Å; R426-E501 PolarHBondContact NE-OE1 2.83Å; R426-E501 IonicContact NH2-OE1 2.73Å; R426-E501 PolarHBondContact NH2-OE1 3.49Å; S499-E501 WeakPolarHBondContact O-CG 3.22Å; S499-E501 PolarHBondContact O-N 3.18Å; S499-E501 VanDerWaalsContact O-N 3.17Å
502	L	85.8	Confident	70	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.1	172.4	176.9	70.9	0	0	0	109.2	K424 M425 F433 F435 I474 I491 S494 L504	K424-L502 CarbonylContact C-O 3.58Å; K424-L502 WeakPolarHBondContact CA-O 3.22Å; M425-L502 HydrophobicContact CG-CB 4.13Å; M425-L502 HydrophobicContact CG-CD2 4.17Å; M425-L502 HydrophobicContact CG-CG 4.47Å; M425-L502 PolarHBondContact N-O 3.36Å; M425-L502 PolarHBondContact O-N 2.56Å; M425-L502 HydrophobicContact SD-CD2 4.11Å; F433-L502 HydrophobicContact CB-CD2 4.4Å; F433-L502 HydrophobicContact CD1-CB 4.02Å; F433-L502 HydrophobicContact CD1-CD2 3.94Å; F433-L502 HydrophobicContact CD2-CD2 3.83Å; F433-L502 HydrophobicContact CE1-CB 3.43Å; F433-L502 VanDerWaalsContact CE1-CB 3.43Å; F433-L502 HydrophobicContact CE1-CD2 4.14Å; F433-L502 HydrophobicContact CE1-CG 4.44Å; F433-L502 HydrophobicContact CE2-CB 4.12Å; F433-L502 HydrophobicContact CE2-CD2 4.05Å; F433-L502 HydrophobicContact CG-CD2 3.77Å; F433-L502 HydrophobicContact CZ-CB 3.5Å; F433-L502 HydrophobicContact CZ-CD2 4.21Å; F433-L502 HydrophobicContact CZ-CG 4.42Å; F435-L502 HydrophobicContact CE1-CD2 3.74Å; F435-L502 HydrophobicContact CZ-CD2 3.89Å; I474-L502 HydrophobicContact CG2-CD1 3.82Å; I491-L502 HydrophobicContact CG2-CD2 4.07Å; S494-L502 VanDerWaalsContact OG-CD1 3.3Å; S494-L502 WeakPolarHBondContact OG-CD1 3.38Å; L502-L504 HydrophobicContact CD1-CD2 3.93Å; L502-L504 HydrophobicContact CD2-CD1 4.3Å; L502-L504 HydrophobicContact CD2-CD2 4.14Å; L502-L504 HydrophobicContact CD2-CG 4.22Å; L502-L504 HydrophobicContact CG-CD2 3.97Å; L502-L504 HydrophobicContact CG-CG 4.11Å
503	I	86.3	Confident	67.7	Low	56 Å²	56	66.5 Å²	66.5	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	176.1	-56.6	173.1	0	0	0	108.1	L422 K424 I474 N475	L422-I503 HydrophobicContact CD1-CG2 3.62Å; L422-I503 HydrophobicContact CG-CG2 4.13Å; K424-I503 HydrophobicContact CB-CG1 4.45Å; K424-I503 HydrophobicContact CD-CG1 4.48Å; K424-I503 HydrophobicContact CG-CG1 4.05Å; I474-I503 CarbonylContact C-O 3.52Å; I474-I503 WeakPolarHBondContact CA-O 3.21Å; N475-I503 PolarHBondContact N-O 3.27Å; N475-I503 PolarHBondContact OD1-N 3.01Å; N475-I503 PolarHBondContact OD1-O 3.11Å
504	L	87.8	Confident	65.4	Low	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.2	175.4	-55.6	178.1	0	0	0	109.3	I423 M425 F435 L465 V471 L473 I474 L502 V506	I423-L504 PolarHBondContact N-O 3.26Å; I423-L504 PolarHBondContact O-N 2.91Å; M425-L504 HydrophobicContact CE-CD1 4.34Å; F435-L504 HydrophobicContact CE1-CD1 4.34Å; F435-L504 HydrophobicContact CE2-CD1 4.25Å; F435-L504 HydrophobicContact CZ-CD1 3.77Å; L465-L504 HydrophobicContact CD1-CD1 4.34Å; L465-L504 HydrophobicContact CD2-CD1 4.36Å; V471-L504 HydrophobicContact CG1-CD2 4.14Å; L473-L504 WeakPolarHBondContact O-CA 3.37Å; I474-L504 HydrophobicContact CB-CD2 4.41Å; I474-L504 HydrophobicContact CD1-CD2 4.26Å; I474-L504 HydrophobicContact CG1-CD2 3.84Å; I474-L504 HydrophobicContact CG2-CD2 4.23Å; L502-L504 HydrophobicContact CD1-CD2 3.93Å; L502-L504 HydrophobicContact CD2-CD1 4.3Å; L502-L504 HydrophobicContact CD2-CD2 4.14Å; L502-L504 HydrophobicContact CD2-CG 4.22Å; L502-L504 HydrophobicContact CG-CD2 3.97Å; L502-L504 HydrophobicContact CG-CG 4.11Å; L504-V506 HydrophobicContact CB-CG1 3.98Å
505	L	85.8	Confident	63	Low	21 Å²	21	74.7 Å²	74.7	11%	0.11	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.7	160.8	-169.9	68.6	0	0	0	107.4	V415 L420 L422 V472 L473	V415-L505 HydrophobicContact CG2-CD1 3.78Å; L420-L505 HydrophobicContact CB-CD1 3.94Å; L420-L505 HydrophobicContact CB-CD2 4.42Å; L420-L505 HydrophobicContact CB-CG 4.13Å; L420-L505 HydrophobicContact CD1-CD2 3.76Å; L420-L505 HydrophobicContact CD1-CG 4.25Å; L422-L505 HydrophobicContact CB-CD1 4.3Å; L422-L505 HydrophobicContact CD1-CB 4.41Å; L422-L505 HydrophobicContact CD1-CD1 3.99Å; V472-L505 WeakPolarHBondContact CA-O 3.44Å; V472-L505 WeakPolarHBondContact CB-O 3.43Å; V472-L505 PolarHBondContact N-O 3.37Å; L473-L505 HydrophobicContact CB-CB 3.8Å; L473-L505 HydrophobicContact CD1-CB 4.13Å; L473-L505 HydrophobicContact CD1-CD2 3.6Å; L473-L505 HydrophobicContact CG-CB 3.98Å; L473-L505 HydrophobicContact CG-CD2 3.91Å; L473-L505 PolarHBondContact N-O 3.24Å; L473-L505 PolarHBondContact O-N 3.23Å
506	V	86.9	Confident	61.3	Low	0 Å²	0	80.4 Å²	80.4	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.3	-175.5	-54.5	0	0	0	0	112.1	L420 V421 I423 L465 D469 Q470 V471 L504	L420-V506 WeakPolarHBondContact CA-O 3.45Å; V421-V506 HydrophobicContact CB-CG2 4.05Å; V421-V506 PolarHBondContact N-O 3.24Å; V421-V506 PolarHBondContact O-N 3.27Å; I423-V506 HydrophobicContact CD1-CG1 4.42Å; I423-V506 HydrophobicContact CD1-CG2 3.6Å; I423-V506 HydrophobicContact CG1-CG2 4.22Å; L465-V506 HydrophobicContact CD1-CG1 4.08Å; D469-V506 HydrophobicContact CB-CB 4.47Å; Q470-V506 CarbonylContact O-C 3.53Å; Q470-V506 WeakPolarHBondContact O-CA 3.27Å; V471-V506 HydrophobicContact CG2-CG1 4.36Å; L504-V506 HydrophobicContact CB-CG1 3.98Å
507	R	84.3	Confident	59.8	Low	105 Å²	105	78.6 Å²	78.6	40%	0.396	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116	165.8	-177.3	177.4	-68.5	121.2	-1.2	108.2	L420 Q470 V472	L420-R507 HydrophobicContact CD2-CB 3.73Å; L420-R507 HydrophobicContact CD2-CG 4.3Å; Q470-R507 HydrophobicContact CB-CB 4.26Å; Q470-R507 PolarHBondContact N-O 3.35Å; Q470-R507 PolarHBondContact O-N 3.2Å; V472-R507 HydrophobicContact CG2-CB 4.31Å
508	P	76.8	Confident	58.2	Low	37 Å²	37	83.7 Å²	83.7	24%	0.24	44%	0.439	C	S	.	.			trans	-61.3	140.3	-178.7	-25.8	36.1	0	0	0	113.7	N419 V421 D469 A510 Y512	N419-P508 WeakPolarHBondContact O-CD 3.42Å; V421-P508 HydrophobicContact CG2-CG 3.65Å; D469-P508 WeakPolarHBondContact OD1-CA 3.48Å; P508-A510 WeakPolarHBondContact CB-O 3.41Å; P508-Y512 HydrophobicContact CB-CD2 3.62Å; P508-Y512 HydrophobicContact CB-CE2 3.56Å; P508-Y512 HydrophobicContact CG-CD2 3.56Å; P508-Y512 HydrophobicContact CG-CE2 3.52Å
509	N	60.5	Low	56.9	Low	124 Å²	124	79.3 Å²	79.3	66%	0.663	43%	0.427	S	S	*	.	S	Bend	trans	-96.4	-18.2	169.2	-174.5	49.7	0	0	0	113.1	G468 D469	G468-N509 WeakPolarHBondContact O-CB 3.37Å; D469-N509 PolarHBondContact OD1-N 2.65Å
510	A	48.8	Very low	55.2	Low	61 Å²	61	81.5 Å²	81.5	50%	0.504	43%	0.433	S	S	.	.	S	Bend	trans	-115.7	155.4	166.8	0	0	0	0	0	109.8	P508 Y512	P508-A510 WeakPolarHBondContact CB-O 3.41Å; A510-Y512 PolarHBondContact O-N 3.49Å; A510-Y512 VanDerWaalsContact O-N 3.13Å
511	I	43	Very low	53.1	Low	158 Å²	158	84.6 Å²	84.6	81%	0.81	45%	0.451	S	S	*	.			trans	-64	117.7	167.7	-63.2	171.2	0	0	0	106.5	D513	I511-D513 VanDerWaalsContact C-N 3.35Å; I511-D513 PolarHBondContact O-N 3.03Å
512	Y	38.4	Very low	50.4	Low	45 Å²	45	90.3 Å²	90.3	18%	0.176	48%	0.478	C	S	.	.			trans	-61	104.7	161	-79.6	-99.9	0	0	0	106.2	V421 P463 R464 N466 D469 P508 A510 V514	V421-Y512 HydrophobicContact CG2-CD2 4.42Å; V421-Y512 HydrophobicContact CG2-CE2 4.47Å; P463-Y512 HydrophobicContact CB-CD1 3.86Å; P463-Y512 HydrophobicContact CB-CE1 3.69Å; P463-Y512 HydrophobicContact CG-CE1 4.38Å; R464-Y512 VanDerWaalsContact O-CE1 3.23Å; R464-Y512 WeakPolarHBondContact O-CE1 3.3Å; R464-Y512 PolarHBondContact O-OH 3.1Å; N466-Y512 WeakPolarHBondContact ND2-CE1 3.45Å; N466-Y512 PolarHBondContact ND2-OH 3.37Å; D469-Y512 PolarHBondContact OD2-OH 3.4Å; P508-Y512 HydrophobicContact CB-CD2 3.62Å; P508-Y512 HydrophobicContact CB-CE2 3.56Å; P508-Y512 HydrophobicContact CG-CD2 3.56Å; P508-Y512 HydrophobicContact CG-CE2 3.52Å; A510-Y512 PolarHBondContact O-N 3.49Å; A510-Y512 VanDerWaalsContact O-N 3.13Å; Y512-V514 VanDerWaalsContact C-N 3.3Å; Y512-V514 PolarHBondContact O-N 3.19Å
513	D	32.3	Very low	47.7	Very low	147 Å²	147	95.2 Å²	95.2	79%	0.786	51%	0.509	S	S	*	.			trans	-59.4	105.2	162.2	-118.5	-19.3	0	0	0	104.7	I511 V515	I511-D513 VanDerWaalsContact C-N 3.35Å; I511-D513 PolarHBondContact O-N 3.03Å; D513-V515 PolarHBondContact O-N 2.95Å
514	V	33.4	Very low	44.8	Very low	109 Å²	109	101.8 Å²	101.8	66%	0.661	54%	0.539	S	S	*	.			trans	-70.7	81.4	168.6	-175.7	0	0	0	0	105.2	Y512 E516	Y512-V514 VanDerWaalsContact C-N 3.3Å; Y512-V514 PolarHBondContact O-N 3.19Å; V514-E516 VanDerWaalsContact C-N 3.25Å; V514-E516 HydrophobicContact CG1-CG 4.23Å; V514-E516 PolarHBondContact O-N 3.36Å
515	V	29.1	Very low	42	Very low	111 Å²	111	108.5 Å²	108.5	67%	0.673	57%	0.568	S	S	*	*			trans	-51.5	108.2	143.8	-171.6	0	0	0	0	103.5	D513 E517	D513-V515 PolarHBondContact O-N 2.95Å; V515-E517 HydrophobicContact CG1-CG 4.03Å; V515-E517 PolarHBondContact O-N 2.97Å
516	E	29.1	Very low	39.2	Very low	166 Å²	166	116.1 Å²	116.1	78%	0.776	60%	0.603	S	S	*	*			trans	-65.8	72.3	159.5	-72.6	-175.2	163.4	0	0	106.6	V514 K518	V514-E516 VanDerWaalsContact C-N 3.25Å; V514-E516 HydrophobicContact CG1-CG 4.23Å; V514-E516 PolarHBondContact O-N 3.36Å; E516-K518 PolarHBondContact O-N 3.39Å
517	E	27.2	Very low	36.4	Very low	136 Å²	136	126 Å²	126	64%	0.636	64%	0.642	S	S	*	*			trans	-62.3	81.8	140.5	-77.6	-165.2	156.9	0	0	105.4	V515 V519	V515-E517 HydrophobicContact CG1-CG 4.03Å; V515-E517 PolarHBondContact O-N 2.97Å; E517-V519 PolarHBondContact O-N 3.17Å
518	K	25.1	Very low	33.8	Very low	150 Å²	150	125.6 Å²	125.6	65%	0.652	65%	0.647	S	S	*	*				-48.7	96.7	128.5	-73.4	-177.2	160.7	-150.9	0	106.4	E516 D520	E516-K518 PolarHBondContact O-N 3.39Å; K518-D520 PolarHBondContact O-N 3.42Å
519	V	24.8	Very low	31.5	Very low	120 Å²	120	127.9 Å²	127.9	73%	0.727	66%	0.662	S	S	*	*			trans	-55.9	87.8	132.4	-178.6	0	0	0	0	104.3	E517 S521	E517-V519 PolarHBondContact O-N 3.17Å; V519-S521 PolarHBondContact O-N 3.25Å
520	D	24.8	Very low	30.1	Very low	113 Å²	113	130.6 Å²	130.6	60%	0.604	67%	0.67	S	S	*	*			trans	-62.7	86.6	152.1	-74.3	-34.7	0	0	0	103.8	K518 E522	K518-D520 PolarHBondContact O-N 3.42Å; D520-E522 VanDerWaalsContact C-N 3.29Å; D520-E522 PolarHBondContact O-N 2.99Å; D520-E522 VanDerWaalsContact O-N 3.09Å
521	S	24.9	Very low	29.3	Very low	93 Å²	93	137 Å²	137	65%	0.65	69%	0.687	S	S	*	*			trans	-48	112.8	137.2	52.2	0	0	0	0	104	V519 P523	V519-S521 PolarHBondContact O-N 3.25Å; S521-P523 VanDerWaalsContact O-N 3.08Å
522	E	24.2	Very low	28.5	Very low	145 Å²	145	132.8 Å²	132.8	68%	0.678	67%	0.671	S	S	*	*			trans	-48.2	126.5	175	-71.7	-161.9	142.5	0	0	106.8	D520 E524	D520-E522 VanDerWaalsContact C-N 3.29Å; D520-E522 PolarHBondContact O-N 2.99Å; D520-E522 VanDerWaalsContact O-N 3.09Å; E522-E524 PolarHBondContact O-N 3.1Å; E522-E524 VanDerWaalsContact O-N 3.09Å
523	P	27.7	Very low	28.4	Very low	103 Å²	103	139.6 Å²	139.6	67%	0.669	71%	0.71	S	S	*	*			trans	-56.7	124.9	167.7	25.7	-31.8	0	0	0	105.8	S521 F525	S521-P523 VanDerWaalsContact O-N 3.08Å; P523-F525 PolarHBondContact O-N 3.07Å
524	E	25.1	Very low	28.5	Very low	193 Å²	193	140.3 Å²	140.3	90%	0.902	71%	0.708	S	S	*	*			trans	-46.7	113.6	178.9	-166.8	171.6	-148.4	0	0	108.3	E522 Q526	E522-E524 PolarHBondContact O-N 3.1Å; E522-E524 VanDerWaalsContact O-N 3.09Å; E524-Q526 PolarHBondContact O-N 3.14Å
525	F	30.3	Very low	28.3	Very low	141 Å²	141	141.1 Å²	141.1	62%	0.618	71%	0.709	S	S	*	*			trans	-67.4	96.3	-166.1	-92.4	-86.4	0	0	0	110.4	P523	P523-F525 PolarHBondContact O-N 3.07Å
526	Q	27.1	Very low	28.6	Very low	181 Å²	181	142 Å²	142	85%	0.846	72%	0.717	S	S	*	*			trans	-132.1	101.1	165	-112.1	174.9	23.8	0	0	106.9	E524	E524-Q526 PolarHBondContact O-N 3.14Å
527	Y	27.8	Very low	29	Very low	207 Å²	207	139.4 Å²	139.4	81%	0.812	71%	0.713	S	S	*	*	S	Bend		-145.4	94	50.6	-155.3	-93.2	0	0	0	113.1	P529	Y527-P529 HydrophobicContact CE1-CG 4.4Å
528	I	30.1	Very low	29.6	Very low	97 Å²	97	141.5 Å²	141.5	50%	0.497	72%	0.722	S	S	.	*	S	Bend	trans	-119	129.9	140.3	-61.2	177.7	0	0	0	104	E530	I528-E530 PolarHBondContact O-N 3.44Å
529	P	29	Very low	30.8	Very low	85 Å²	85	139.8 Å²	139.8	55%	0.552	72%	0.72	S	S	*	*			trans	-56.2	117.4	176.8	-24.7	34.3	0	0	0	109.9	Y527 K531	Y527-P529 HydrophobicContact CE1-CG 4.4Å; P529-K531 PolarHBondContact O-N 3.2Å
530	E	29.4	Very low	32.4	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	71%	0.71	S	S	*	*			trans	-55.3	128.5	167.8	-75.7	-169.2	127.3	0	0	108	I528 S532	I528-E530 PolarHBondContact O-N 3.44Å; E530-S532 PolarHBondContact O-N 3.32Å
531	K	32.4	Very low	33.9	Very low	196 Å²	196	141.9 Å²	141.9	85%	0.852	72%	0.721	S	S	*	*			trans	-64.9	94.3	167.4	-75.1	-175.2	177.7	-179.2	0	107.9	P529 L533	P529-K531 PolarHBondContact O-N 3.2Å; K531-L533 PolarHBondContact O-N 2.92Å
532	S	25.7	Very low	36.3	Very low	68 Å²	68	142.3 Å²	142.3	48%	0.476	71%	0.713	S	S	.	*			trans	-46.7	141.4	150.6	66	0	0	0	0	108.3	E530 Q534	E530-S532 PolarHBondContact O-N 3.32Å; S532-Q534 PolarHBondContact O-N 2.75Å; S532-Q534 WeakPolarHBondContact OG-CG 3.3Å
533	L	36.5	Very low	39.2	Very low	189 Å²	189	136.5 Å²	136.5	99%	0.99	69%	0.69	S	S	*	*	S	Bend	trans	-69.1	79.1	175.5	-74.4	163.4	0	0	0	108.9	K531	K531-L533 PolarHBondContact O-N 2.92Å
534	Q	34.1	Very low	42	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.752	66%	0.663	S	S	*	*			trans	-128.8	154	177.8	-67.1	-173.3	2.6	0	0	108.8	S532	S532-Q534 PolarHBondContact O-N 2.75Å; S532-Q534 WeakPolarHBondContact OG-CG 3.3Å
535	D	29.8	Very low	45	Very low	127 Å²	127	130.1 Å²	130.1	68%	0.679	65%	0.646	S	S	*	*			trans	-44.8	140.9	-162.4	-120.4	-37.9	0	0	0	115	T537	D535-T537 PolarHBondContact O-N 2.94Å
536	P	36.3	Very low	47.8	Very low	129 Å²	129	127.6 Å²	127.6	84%	0.838	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	8.8	178.1	-22.5	34.4	0	0	0	116.3
537	T	36.7	Very low	50.9	Low	112 Å²	112	119.1 Å²	119.1	69%	0.687	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	1.4	-165.7	57.5	0	0	0	0	114.7	D535	D535-T537 PolarHBondContact O-N 2.94Å
538	Q	39.8	Very low	54	Low	179 Å²	179	109.4 Å²	109.4	84%	0.836	56%	0.561	S	S	*	*			trans	-114.7	90	169.8	-64.9	-160.4	5.1	0	0	111.9	D540	Q538-D540 PolarHBondContact O-N 3.37Å
539	L	50.7	Low	56.9	Low	115 Å²	115	108.1 Å²	108.1	60%	0.602	56%	0.557	S	S	*	*			trans	-64.7	115.8	160.8	-81.8	150.3	0	0	0	108.8	Q541	L539-Q541 PolarHBondContact O-N 2.77Å
540	D	57.1	Low	59.8	Low	98 Å²	98	106.5 Å²	106.5	52%	0.524	55%	0.552	S	S	.	*			trans	-64.7	103.7	174.7	-174.8	-2.6	0	0	0	109.8	Q538 H542 A543	Q538-D540 PolarHBondContact O-N 3.37Å; D540-H542 PolarHBondContact O-N 3.4Å; D540-H542 PolarHBondContact OD1-N 2.86Å; D540-A543 HydrophobicContact CB-CB 4.3Å; D540-A543 PolarHBondContact O-N 3.2Å
541	Q	56.8	Low	62.8	Low	178 Å²	178	98.1 Å²	98.1	83%	0.832	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-10	-169.4	-63.4	-176.1	-0.4	0	0	113.7	L539	L539-Q541 PolarHBondContact O-N 2.77Å
542	H	76.8	Confident	65.6	Low	102 Å²	102	93.8 Å²	93.8	47%	0.472	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-16.7	-178.7	-69.8	-88.2	0	0	0	114.4	D540 L544 R545 D546	D540-H542 PolarHBondContact O-N 3.4Å; D540-H542 PolarHBondContact OD1-N 2.86Å; H542-L544 VanDerWaalsContact C-N 3.34Å; H542-L544 PolarHBondContact O-N 3.15Å; H542-L544 VanDerWaalsContact O-N 3.17Å; H542-R545 WeakPolarHBondContact O-CA 3.41Å; H542-R545 VanDerWaalsContact O-CB 3.31Å; H542-R545 WeakPolarHBondContact O-CB 3.42Å; H542-R545 PolarHBondContact O-N 3.21Å; H542-D546 PolarHBondContact O-N 3.27Å
543	A	83.4	Confident	68.6	Low	24 Å²	24	96.5 Å²	96.5	20%	0.198	50%	0.499	C	S	.	.	H	α-helix	trans	-55.9	-40.8	-173.1	0	0	0	0	0	114.5	D540 D546 S547	D540-A543 HydrophobicContact CB-CB 4.3Å; D540-A543 PolarHBondContact O-N 3.2Å; A543-D546 PolarHBondContact O-N 3Å; A543-S547 PolarHBondContact O-N 2.97Å
544	L	87.8	Confident	71	Confident	21 Å²	21	87.9 Å²	87.9	11%	0.11	46%	0.456	C	S	.	.	H	α-helix	trans	-62.1	-45.7	173.6	170.4	60.3	0	0	0	111.7	H542 D546 S547 M548 M777 Q781 V783 Y817	H542-L544 VanDerWaalsContact C-N 3.34Å; H542-L544 PolarHBondContact O-N 3.15Å; H542-L544 VanDerWaalsContact O-N 3.17Å; L544-D546 VanDerWaalsContact C-N 3.33Å; L544-D546 PolarHBondContact O-N 3.25Å; L544-S547 PolarHBondContact O-N 3.46Å; L544-S547 PolarHBondContact O-OG 3.27Å; L544-M548 HydrophobicContact CD1-CE 3.63Å; L544-M548 HydrophobicContact CD1-CG 4.27Å; L544-M548 WeakPolarHBondContact O-CG 3.39Å; L544-M548 PolarHBondContact O-N 2.8Å; L544-M548 VanDerWaalsContact O-N 3.15Å; L544-M777 HydrophobicContact CD1-CG 4.14Å; L544-Q781 WeakPolarHBondContact CD1-O 3.16Å; L544-V783 HydrophobicContact CD1-CG2 4.07Å; L544-Y817 HydrophobicContact CD1-CD2 4.49Å; L544-Y817 HydrophobicContact CD1-CE2 4.35Å; L544-Y817 HydrophobicContact CD2-CE2 4.1Å; L544-Y817 HydrophobicContact CG-CD2 4.49Å; L544-Y817 HydrophobicContact CG-CE2 3.91Å
545	R	88.3	Confident	73.6	Confident	141 Å²	141	81.5 Å²	81.5	53%	0.532	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-45.1	177.9	178.5	-171.6	-65.5	-92.4	-3.1	110.9	H542 S547 M548 V549 Y817	H542-R545 WeakPolarHBondContact O-CA 3.41Å; H542-R545 VanDerWaalsContact O-CB 3.31Å; H542-R545 WeakPolarHBondContact O-CB 3.42Å; H542-R545 PolarHBondContact O-N 3.21Å; R545-S547 PolarHBondContact O-N 3.27Å; R545-M548 PolarHBondContact O-N 3.25Å; R545-M548 VanDerWaalsContact O-N 3.11Å; R545-V549 WeakPolarHBondContact O-CG2 3.48Å; R545-V549 PolarHBondContact O-N 3.11Å; R545-Y817 WeakPolarHBondContact CA-OH 3.14Å
546	D	88.4	Confident	76.3	Confident	88 Å²	88	80.4 Å²	80.4	47%	0.471	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-37.9	-177.1	-60.4	-18.4	0	0	0	111.2	H542 A543 L544 M548 V549 A550	H542-D546 PolarHBondContact O-N 3.27Å; A543-D546 PolarHBondContact O-N 3Å; L544-D546 VanDerWaalsContact C-N 3.33Å; L544-D546 PolarHBondContact O-N 3.25Å; D546-M548 VanDerWaalsContact C-N 3.29Å; D546-M548 PolarHBondContact O-N 3.2Å; D546-V549 PolarHBondContact O-N 3.35Å; D546-A550 WeakPolarHBondContact O-CB 3.39Å; D546-A550 PolarHBondContact O-N 3.4Å
547	S	92.8	Very high	78.7	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.014	42%	0.416	C	S	.	.	H	α-helix	trans	-61	-35.4	171.4	75.5	0	0	0	0	113	A543 L544 R545 L551 V783	A543-S547 PolarHBondContact O-N 2.97Å; L544-S547 PolarHBondContact O-N 3.46Å; L544-S547 PolarHBondContact O-OG 3.27Å; R545-S547 PolarHBondContact O-N 3.27Å; S547-L551 VanDerWaalsContact O-CB 3.29Å; S547-L551 WeakPolarHBondContact O-CB 3.42Å; S547-L551 PolarHBondContact O-N 3.21Å; S547-V783 PolarHBondContact OG-N 2.95Å
548	M	93.1	Very high	80.8	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.02	40%	0.397	C	S	.	.	H	α-helix	trans	-75.7	-35.5	177.6	-65	-65.5	158.5	0	0	112.7	L544 R545 D546 L551 K552 M777 V783 I813 L814 Y817	L544-M548 HydrophobicContact CD1-CE 3.63Å; L544-M548 HydrophobicContact CD1-CG 4.27Å; L544-M548 WeakPolarHBondContact O-CG 3.39Å; L544-M548 PolarHBondContact O-N 2.8Å; L544-M548 VanDerWaalsContact O-N 3.15Å; R545-M548 PolarHBondContact O-N 3.25Å; R545-M548 VanDerWaalsContact O-N 3.11Å; D546-M548 VanDerWaalsContact C-N 3.29Å; D546-M548 PolarHBondContact O-N 3.2Å; M548-L551 PolarHBondContact O-N 2.87Å; M548-L551 HydrophobicContact SD-CD2 4.03Å; M548-K552 WeakPolarHBondContact O-CB 3.42Å; M548-K552 PolarHBondContact O-N 2.78Å; M548-M777 HydrophobicContact CE-CE 3.5Å; M548-M777 HydrophobicContact CE-CG 4.21Å; M548-M777 HydrophobicContact SD-CE 4.38Å; M548-V783 HydrophobicContact CE-CB 3.57Å; M548-V783 HydrophobicContact CE-CG1 4.37Å; M548-V783 HydrophobicContact CE-CG2 3.55Å; M548-I813 HydrophobicContact CE-CG2 3.96Å; M548-I813 HydrophobicContact SD-CG2 4.07Å; M548-L814 HydrophobicContact CB-CD2 4.34Å; M548-L814 HydrophobicContact SD-CD2 4.08Å; M548-Y817 HydrophobicContact CB-CD1 3.78Å; M548-Y817 HydrophobicContact CB-CE1 3.74Å; M548-Y817 HydrophobicContact CB-CG 4.23Å; M548-Y817 HydrophobicContact CE-CD2 4.44Å; M548-Y817 HydrophobicContact CG-CD1 3.66Å; M548-Y817 HydrophobicContact CG-CD2 3.71Å; M548-Y817 HydrophobicContact CG-CE1 3.84Å; M548-Y817 HydrophobicContact CG-CE2 3.9Å; M548-Y817 HydrophobicContact CG-CG 3.58Å; M548-Y817 HydrophobicContact SD-CD1 4.34Å; M548-Y817 HydrophobicContact SD-CD2 4.31Å; M548-Y817 HydrophobicContact SD-CG 3.93Å
549	V	90.4	Very high	82.9	Confident	69 Å²	69	67.7 Å²	67.7	42%	0.418	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-50.2	171	173.4	0	0	0	0	109.9	R545 D546 L551 K552 E553	R545-V549 WeakPolarHBondContact O-CG2 3.48Å; R545-V549 PolarHBondContact O-N 3.11Å; D546-V549 PolarHBondContact O-N 3.35Å; V549-L551 VanDerWaalsContact C-N 3.29Å; V549-L551 PolarHBondContact O-N 3.11Å; V549-K552 WeakPolarHBondContact O-CB 3.42Å; V549-K552 PolarHBondContact O-N 2.9Å; V549-K552 VanDerWaalsContact O-N 3.1Å; V549-E553 HydrophobicContact CG1-CG 4.43Å; V549-E553 WeakPolarHBondContact O-CG 3.3Å; V549-E553 PolarHBondContact O-N 2.9Å
550	A	90	Very high	84.6	Confident	52 Å²	52	62.8 Å²	62.8	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-38	176.3	0	0	0	0	0	112.6	D546 G554	D546-A550 WeakPolarHBondContact O-CB 3.39Å; D546-A550 PolarHBondContact O-N 3.4Å; A550-G554 PolarHBondContact O-N 2.93Å
551	L	92.3	Very high	86	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-41.1	174.9	-176.4	59.6	0	0	0	112.2	S547 M548 V549 L555 I560 P785 C810 I813 L814	S547-L551 VanDerWaalsContact O-CB 3.29Å; S547-L551 WeakPolarHBondContact O-CB 3.42Å; S547-L551 PolarHBondContact O-N 3.21Å; M548-L551 PolarHBondContact O-N 2.87Å; M548-L551 HydrophobicContact SD-CD2 4.03Å; V549-L551 VanDerWaalsContact C-N 3.29Å; V549-L551 PolarHBondContact O-N 3.11Å; L551-L555 WeakPolarHBondContact O-CB 3.44Å; L551-L555 WeakPolarHBondContact O-CG 3.46Å; L551-L555 PolarHBondContact O-N 3.48Å; L551-I560 HydrophobicContact CD1-CD1 3.61Å; L551-I560 WeakPolarHBondContact O-CD1 3.49Å; L551-P785 HydrophobicContact CD1-CG 3.9Å; L551-P785 HydrophobicContact CD2-CG 4.39Å; L551-C810 HydrophobicContact CD1-CB 3.86Å; L551-I813 HydrophobicContact CD2-CB 4.16Å; L551-I813 HydrophobicContact CD2-CG2 3.44Å; L551-I813 VanDerWaalsContact CD2-CG2 3.44Å; L551-L814 HydrophobicContact CB-CD2 4.1Å; L551-L814 HydrophobicContact CD2-CD2 3.81Å; L551-L814 HydrophobicContact CD2-CG 3.81Å; L551-L814 HydrophobicContact CG-CD1 4.28Å; L551-L814 HydrophobicContact CG-CD2 3.95Å; L551-L814 HydrophobicContact CG-CG 3.91Å
552	K	91.8	Very high	87.2	Confident	105 Å²	105	54 Å²	54	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-71.1	-41.9	179.3	-161.7	165.2	-167.6	153.7	0	112.4	M548 V549 S556 L814 D818	M548-K552 WeakPolarHBondContact O-CB 3.42Å; M548-K552 PolarHBondContact O-N 2.78Å; V549-K552 WeakPolarHBondContact O-CB 3.42Å; V549-K552 PolarHBondContact O-N 2.9Å; V549-K552 VanDerWaalsContact O-N 3.1Å; K552-S556 WeakPolarHBondContact O-CB 3.31Å; K552-S556 PolarHBondContact O-N 2.95Å; K552-S556 VanDerWaalsContact O-N 3.1Å; K552-S556 PolarHBondContact O-OG 3.35Å; K552-L814 HydrophobicContact CB-CD1 3.96Å; K552-L814 HydrophobicContact CB-CD2 4.25Å; K552-L814 HydrophobicContact CG-CD1 4.13Å; K552-D818 IonicContact NZ-OD1 3.62Å; K552-D818 IonicContact NZ-OD2 3.33Å; K552-D818 PolarHBondContact NZ-OD2 2.98Å
553	E	88.9	Confident	87.6	Confident	125 Å²	125	53.4 Å²	53.4	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-66.9	-41.6	172.9	-69.6	-177.4	175.6	0	0	111.7	V549 L555 S556 S557	V549-E553 HydrophobicContact CG1-CG 4.43Å; V549-E553 WeakPolarHBondContact O-CG 3.3Å; V549-E553 PolarHBondContact O-N 2.9Å; E553-L555 PolarHBondContact O-N 3.44Å; E553-S556 WeakPolarHBondContact CA-OG 3.31Å; E553-S556 PolarHBondContact O-N 2.99Å; E553-S556 PolarHBondContact O-OG 2.93Å; E553-S556 VanDerWaalsContact O-OG 3.09Å; E553-S557 VanDerWaalsContact O-CB 3.27Å; E553-S557 WeakPolarHBondContact O-CB 3.43Å; E553-S557 PolarHBondContact O-N 2.99Å; E553-S557 PolarHBondContact O-OG 3.2Å
554	G	85.8	Confident	87.9	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-31.5	177.5	0	0	0	0	0	114.4	A550 S557 G558 A559 I560	A550-G554 PolarHBondContact O-N 2.93Å; G554-S557 WeakPolarHBondContact CA-OG 3.31Å; G554-S557 PolarHBondContact O-OG 2.87Å; G554-G558 CarbonylContact O-C 3.59Å; G554-G558 PolarHBondContact O-N 3.41Å; G554-A559 PolarHBondContact O-N 2.93Å; G554-A559 VanDerWaalsContact O-N 3.11Å; G554-I560 PolarHBondContact O-N 3.49Å
555	L	88.8	Confident	87.7	Confident	26 Å²	26	56.1 Å²	56.1	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-74.6	-42.1	172.6	-86.2	170.1	0	0	0	112.5	L551 E553 G558 R807 C810 E811 L814	L551-L555 WeakPolarHBondContact O-CB 3.44Å; L551-L555 WeakPolarHBondContact O-CG 3.46Å; L551-L555 PolarHBondContact O-N 3.48Å; E553-L555 PolarHBondContact O-N 3.44Å; L555-G558 PolarHBondContact O-N 3.36Å; L555-R807 HydrophobicContact CD2-CG 4.09Å; L555-C810 HydrophobicContact CD1-CB 3.8Å; L555-C810 HydrophobicContact CD2-CB 4.02Å; L555-C810 HydrophobicContact CG-CB 4.15Å; L555-E811 HydrophobicContact CD1-CG 3.91Å; L555-E811 HydrophobicContact CD2-CG 4.28Å; L555-L814 HydrophobicContact CD1-CD1 3.57Å; L555-L814 HydrophobicContact CD1-CG 4.45Å
556	S	86.8	Confident	87.5	Confident	105 Å²	105	57 Å²	57	73%	0.734	33%	0.332	S	S	*	.	H	α-helix	trans	-72.9	-33.4	179.8	51.6	0	0	0	0	113.4	K552 E553	K552-S556 WeakPolarHBondContact O-CB 3.31Å; K552-S556 PolarHBondContact O-N 2.95Å; K552-S556 VanDerWaalsContact O-N 3.1Å; K552-S556 PolarHBondContact O-OG 3.35Å; E553-S556 WeakPolarHBondContact CA-OG 3.31Å; E553-S556 PolarHBondContact O-N 2.99Å; E553-S556 PolarHBondContact O-OG 2.93Å; E553-S556 VanDerWaalsContact O-OG 3.09Å
557	S	85.5	Confident	87.5	Confident	81 Å²	81	53.8 Å²	53.8	57%	0.566	32%	0.315	S	S	*	.	S	Bend	trans	-79.9	-16.7	172	60.9	0	0	0	0	114.1	E553 G554 A559	E553-S557 VanDerWaalsContact O-CB 3.27Å; E553-S557 WeakPolarHBondContact O-CB 3.43Å; E553-S557 PolarHBondContact O-N 2.99Å; E553-S557 PolarHBondContact O-OG 3.2Å; G554-S557 WeakPolarHBondContact CA-OG 3.31Å; G554-S557 PolarHBondContact O-OG 2.87Å; S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 WeakPolarHBondContact OG-CB 3.41Å; S557-A559 PolarHBondContact OG-N 3.13Å
558	G	82.4	Confident	87.2	Confident	28 Å²	28	56.9 Å²	56.9	29%	0.289	33%	0.327	S	S	.	.	S	Bend	trans	74.5	1.2	-172.2	0	0	0	0	0	114.9	G554 L555 I560 L561 A562	G554-G558 CarbonylContact O-C 3.59Å; G554-G558 PolarHBondContact O-N 3.41Å; L555-G558 PolarHBondContact O-N 3.36Å; G558-I560 PolarHBondContact O-N 3.04Å; G558-L561 PolarHBondContact O-N 3.39Å; G558-L561 VanDerWaalsContact O-N 3.14Å; G558-A562 PolarHBondContact O-N 3.01Å
559	A	82.8	Confident	87	Confident	43 Å²	43	64.4 Å²	64.4	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-36	-178.9	0	0	0	0	0	112.8	G554 S557 L561 A562 Q563	G554-A559 PolarHBondContact O-N 2.93Å; G554-A559 VanDerWaalsContact O-N 3.11Å; S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 WeakPolarHBondContact OG-CB 3.41Å; S557-A559 PolarHBondContact OG-N 3.13Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.19Å; A559-A562 WeakPolarHBondContact O-CB 3.33Å; A559-A562 PolarHBondContact O-N 3.04Å; A559-A562 VanDerWaalsContact O-N 3.17Å; A559-Q563 WeakPolarHBondContact O-CG 3.4Å; A559-Q563 PolarHBondContact O-N 3.45Å
560	I	85.8	Confident	87	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-63	-34.5	179	-80.2	178.1	0	0	0	112.5	L551 G554 G558 F564 Y806	L551-I560 HydrophobicContact CD1-CD1 3.61Å; L551-I560 WeakPolarHBondContact O-CD1 3.49Å; G554-I560 PolarHBondContact O-N 3.49Å; G558-I560 PolarHBondContact O-N 3.04Å; I560-F564 WeakPolarHBondContact O-CB 3.4Å; I560-F564 PolarHBondContact O-N 3.45Å; I560-Y806 HydrophobicContact CG2-CD1 4.13Å; I560-Y806 HydrophobicContact CG2-CE1 3.36Å; I560-Y806 WeakPolarHBondContact O-CE1 3.27Å
561	L	87.1	Confident	86.9	Confident	45 Å²	45	68 Å²	68	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-72.3	-38.2	175.9	-61.8	175.2	0	0	0	111.3	G558 A559 F564 D565 P803 Y806 R807	G558-L561 PolarHBondContact O-N 3.39Å; G558-L561 VanDerWaalsContact O-N 3.14Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.19Å; L561-F564 PolarHBondContact O-N 2.85Å; L561-D565 PolarHBondContact O-N 2.9Å; L561-P803 HydrophobicContact CD2-CB 4.29Å; L561-Y806 HydrophobicContact CD2-CD1 4.29Å; L561-R807 HydrophobicContact CD2-CB 4.07Å
562	A	82.8	Confident	86.5	Confident	47 Å²	47	72.9 Å²	72.9	39%	0.388	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-40	174.8	0	0	0	0	0	112.3	G558 A559 D565 Q566	G558-A562 PolarHBondContact O-N 3.01Å; A559-A562 WeakPolarHBondContact O-CB 3.33Å; A559-A562 PolarHBondContact O-N 3.04Å; A559-A562 VanDerWaalsContact O-N 3.17Å; A562-D565 PolarHBondContact O-N 2.79Å; A562-Q566 WeakPolarHBondContact O-CG 3.44Å; A562-Q566 PolarHBondContact O-N 3.28Å; A562-Q566 VanDerWaalsContact O-N 3.17Å
563	Q	84	Confident	86.1	Confident	89 Å²	89	72 Å²	72	42%	0.416	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-40.7	173.4	-71.3	171.7	-10.5	0	0	112	A559 Q566 L567 L786	A559-Q563 WeakPolarHBondContact O-CG 3.4Å; A559-Q563 PolarHBondContact O-N 3.45Å; Q563-Q566 PolarHBondContact O-N 3.14Å; Q563-L567 PolarHBondContact O-N 3.37Å; Q563-L786 HydrophobicContact CB-CD1 4.22Å; Q563-L786 HydrophobicContact CB-CD2 3.92Å
564	F	90.3	Very high	86.2	Confident	9 Å²	9	67.7 Å²	67.7	4%	0.039	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-35.8	176.3	174.9	-93.1	0	0	0	113.7	I560 L561 Q566 L567 L786 V789 I800 P803 Y806	I560-F564 WeakPolarHBondContact O-CB 3.4Å; I560-F564 PolarHBondContact O-N 3.45Å; L561-F564 PolarHBondContact O-N 2.85Å; F564-Q566 VanDerWaalsContact C-N 3.29Å; F564-L567 PolarHBondContact O-N 2.87Å; F564-L786 HydrophobicContact CB-CD1 4.41Å; F564-V789 HydrophobicContact CE2-CG1 4.27Å; F564-I800 HydrophobicContact CE2-CB 4.11Å; F564-I800 HydrophobicContact CE2-CG2 3.84Å; F564-I800 HydrophobicContact CZ-CB 4.32Å; F564-I800 HydrophobicContact CZ-CG2 3.81Å; F564-I800 WeakPolarHBondContact CZ-O 3.44Å; F564-P803 HydrophobicContact CD1-CG 4.5Å; F564-P803 HydrophobicContact CE1-CG 4.36Å; F564-Y806 HydrophobicContact CB-CD1 3.41Å; F564-Y806 VanDerWaalsContact CB-CD1 3.41Å; F564-Y806 HydrophobicContact CB-CE1 3.48Å; F564-Y806 VanDerWaalsContact CB-CE1 3.48Å; F564-Y806 HydrophobicContact CB-CG 4.18Å; F564-Y806 HydrophobicContact CD1-CD1 4.29Å; F564-Y806 HydrophobicContact CD1-CG 4.44Å; F564-Y806 AromaticContact CD2-CD1 3.52Å; F564-Y806 HydrophobicContact CD2-CD1 3.52Å; F564-Y806 AromaticContact CD2-CD2 3.62Å; F564-Y806 HydrophobicContact CD2-CD2 3.62Å; F564-Y806 AromaticContact CD2-CE1 3.92Å; F564-Y806 HydrophobicContact CD2-CE1 3.92Å; F564-Y806 HydrophobicContact CD2-CE2 4.03Å; F564-Y806 AromaticContact CD2-CG 3.34Å; F564-Y806 HydrophobicContact CD2-CG 3.34Å; F564-Y806 HydrophobicContact CE2-CD1 4.33Å; F564-Y806 AromaticContact CE2-CD2 3.9Å; F564-Y806 HydrophobicContact CE2-CD2 3.9Å; F564-Y806 AromaticContact CE2-CG 3.73Å; F564-Y806 HydrophobicContact CE2-CG 3.73Å; F564-Y806 AromaticContact CG-CD1 3.48Å; F564-Y806 HydrophobicContact CG-CD1 3.48Å; F564-Y806 VanDerWaalsContact CG-CD1 3.48Å; F564-Y806 HydrophobicContact CG-CD2 4.43Å; F564-Y806 AromaticContact CG-CE1 3.96Å; F564-Y806 HydrophobicContact CG-CE1 3.96Å; F564-Y806 AromaticContact CG-CG 3.74Å; F564-Y806 HydrophobicContact CG-CG 3.74Å; F564-Y806 HydrophobicContact CZ-CG 4.42Å
565	D	83	Confident	86.5	Confident	93 Å²	93	70.7 Å²	70.7	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-69.3	-27.6	174.4	-81.8	-22.2	0	0	0	112.4	L561 A562	L561-D565 PolarHBondContact O-N 2.9Å; A562-D565 PolarHBondContact O-N 2.79Å
566	Q	85.4	Confident	86.7	Confident	159 Å²	159	70.7 Å²	70.7	74%	0.743	40%	0.401	S	S	*	.	H	α-helix	trans	-79.1	-30.8	172.8	-69.6	168	14.5	0	0	112.9	A562 Q563 F564 Y568	A562-Q566 WeakPolarHBondContact O-CG 3.44Å; A562-Q566 PolarHBondContact O-N 3.28Å; A562-Q566 VanDerWaalsContact O-N 3.17Å; Q563-Q566 PolarHBondContact O-N 3.14Å; F564-Q566 VanDerWaalsContact C-N 3.29Å; Q566-Y568 PolarHBondContact O-N 3.03Å
567	L	87.4	Confident	86.9	Confident	20 Å²	20	71 Å²	71	11%	0.105	39%	0.394	C	S	.	.	S	Bend	trans	-59.8	125.5	179.5	-178.6	65.2	0	0	0	111.1	Q563 F564 R569 L786 V789 R790 R793	Q563-L567 PolarHBondContact O-N 3.37Å; F564-L567 PolarHBondContact O-N 2.87Å; L567-R569 PolarHBondContact O-N 3.1Å; L567-L786 HydrophobicContact CB-CD1 4.22Å; L567-L786 HydrophobicContact CD2-CD1 4.03Å; L567-V789 HydrophobicContact CD2-CB 4.08Å; L567-V789 HydrophobicContact CD2-CG1 3.67Å; L567-R790 HydrophobicContact CD1-CB 4.03Å; L567-R790 HydrophobicContact CD1-CG 4.13Å; L567-R790 HydrophobicContact CD2-CB 4.47Å; L567-R793 PolarHBondContact O-NH1 3.26Å
568	Y	87.6	Confident	87.2	Confident	68 Å²	68	68.5 Å²	68.5	27%	0.267	38%	0.376	S	S	.	.			trans	-52.2	141	-179.5	57	-93.7	0	0	0	112	Q566 R571 R790 R793 D794	Q566-Y568 PolarHBondContact O-N 3.03Å; Y568-R571 HydrophobicContact CD2-CB 4.44Å; Y568-R571 HydrophobicContact CE2-CB 3.98Å; Y568-R571 HydrophobicContact CE2-CG 4.25Å; Y568-R790 HydrophobicContact CE1-CG 4.24Å; Y568-R790 VanDerWaalsContact OH-CG 3.29Å; Y568-R790 WeakPolarHBondContact OH-CG 3.47Å; Y568-R793 HydrophobicContact CE2-CB 4.26Å; Y568-R793 WeakPolarHBondContact O-CD 3.28Å; Y568-R793 PolarHBondContact O-NH1 2.98Å; Y568-D794 VanDerWaalsContact CE2-OD1 3.26Å; Y568-D794 WeakPolarHBondContact CE2-OD1 3.41Å; Y568-D794 VanDerWaalsContact CZ-OD1 3.28Å; Y568-D794 VanDerWaalsContact OH-CG 3.25Å; Y568-D794 PolarHBondContact OH-OD1 3.31Å; Y568-D794 PolarHBondContact OH-OD2 2.92Å
569	R	88.3	Confident	87.6	Confident	161 Å²	161	67.2 Å²	67.2	61%	0.608	36%	0.363	S	S	*	.	S	Bend	trans	-84.4	-25.8	177.1	-73.8	-177.1	-175.2	157.3	5.2	112.9	L567 M798	L567-R569 PolarHBondContact O-N 3.1Å; R569-M798 HydrophobicContact CB-CG 3.97Å; R569-M798 WeakPolarHBondContact O-CG 3.48Å; R569-M798 PolarHBondContact O-N 3.47Å
570	K	90	Very high	88	Confident	86 Å²	86	71.4 Å²	71.4	37%	0.374	37%	0.373	S	S	.	.	S	Bend	trans	-138.3	129.4	-178.9	-75.7	163.1	175.3	-179.2	0	106.6	P572 M576 Y596 A797	K570-P572 WeakPolarHBondContact O-CD 3.42Å; K570-M576 HydrophobicContact CD-CE 4.04Å; K570-M576 HydrophobicContact CG-CE 4.41Å; K570-Y596 WeakPolarHBondContact CA-OH 3.48Å; K570-A797 HydrophobicContact CG-CB 3.75Å
571	R	88.1	Confident	88.3	Confident	112 Å²	112	74.2 Å²	74.2	42%	0.423	39%	0.388	S	S	.	.			trans	-64.5	125.6	179.7	-169.7	-172.3	-169.4	179.6	-1.4	109	Y568 M574 Y596 D794	Y568-R571 HydrophobicContact CD2-CB 4.44Å; Y568-R571 HydrophobicContact CE2-CB 3.98Å; Y568-R571 HydrophobicContact CE2-CG 4.25Å; R571-M574 HydrophobicContact CB-CG 3.96Å; R571-M574 HydrophobicContact CB-SD 3.76Å; R571-M574 WeakPolarHBondContact CD-SD 3.37Å; R571-M574 HydrophobicContact CG-CG 4.2Å; R571-M574 HydrophobicContact CG-SD 4.17Å; R571-M574 PolarHBondContact O-N 3.31Å; R571-Y596 PolarHBondContact N-OH 3.39Å; R571-D794 WeakPolarHBondContact CD-OD1 3.33Å; R571-D794 VanDerWaalsContact CG-OD1 3.23Å; R571-D794 WeakPolarHBondContact CG-OD1 3.46Å; R571-D794 IonicContact CZ-OD2 3.9Å; R571-D794 IonicContact NE-OD1 3.83Å; R571-D794 IonicContact NE-OD2 3.53Å
572	P	83.7	Confident	88.5	Confident	107 Å²	107	77.5 Å²	77.5	70%	0.695	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	141	173.2	-25.8	35.5	0	0	0	111.2	K570 M574	K570-P572 WeakPolarHBondContact O-CD 3.42Å; P572-M574 VanDerWaalsContact C-N 3.33Å; P572-M574 PolarHBondContact O-N 3.39Å
573	G	84.7	Confident	88.9	Confident	85 Å²	85	80.6 Å²	80.6	88%	0.876	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-11.9	-179.8	0	0	0	0	0	116.7
574	M	89.4	Confident	89.4	Confident	35 Å²	35	76.4 Å²	76.4	17%	0.172	40%	0.399	C	S	.	.			trans	-84.1	130.5	176.8	-66.8	-168	86.2	0	0	113	R571 P572 Y596 A598 T599 D794	R571-M574 HydrophobicContact CB-CG 3.96Å; R571-M574 HydrophobicContact CB-SD 3.76Å; R571-M574 WeakPolarHBondContact CD-SD 3.37Å; R571-M574 HydrophobicContact CG-CG 4.2Å; R571-M574 HydrophobicContact CG-SD 4.17Å; R571-M574 PolarHBondContact O-N 3.31Å; P572-M574 VanDerWaalsContact C-N 3.33Å; P572-M574 PolarHBondContact O-N 3.39Å; M574-Y596 HydrophobicContact CB-CD1 3.52Å; M574-Y596 HydrophobicContact CB-CE1 3.71Å; M574-Y596 HydrophobicContact CB-CG 4.08Å; M574-Y596 HydrophobicContact CE-CD1 4.4Å; M574-Y596 HydrophobicContact CE-CD2 3.64Å; M574-Y596 HydrophobicContact CE-CE2 4.27Å; M574-Y596 HydrophobicContact CE-CG 3.72Å; M574-Y596 HydrophobicContact CG-CD1 4.45Å; M574-Y596 HydrophobicContact SD-CD1 4.14Å; M574-Y596 HydrophobicContact SD-CD2 3.68Å; M574-Y596 HydrophobicContact SD-CE1 4.17Å; M574-Y596 HydrophobicContact SD-CE2 3.69Å; M574-Y596 HydrophobicContact SD-CG 3.91Å; M574-A598 HydrophobicContact CE-CB 4.1Å; M574-T599 HydrophobicContact CE-CG2 4.18Å; M574-D794 WeakPolarHBondContact CE-O 3.29Å
575	T	92.1	Very high	89.5	Confident	72 Å²	72	79.5 Å²	79.5	44%	0.442	42%	0.418	S	S	.	.			trans	-85.1	153.5	179.5	62.8	0	0	0	0	112.3	Y596 D597	T575-Y596 CarbonylContact O-C 3.59Å; T575-Y596 VanDerWaalsContact O-CA 3.26Å; T575-Y596 WeakPolarHBondContact O-CA 3.46Å; T575-D597 WeakPolarHBondContact CB-OD2 3.31Å; T575-D597 PolarHBondContact O-N 2.76Å; T575-D597 PolarHBondContact OG1-OD2 2.75Å
576	M	93.3	Very high	90	Very high	27 Å²	27	78.8 Å²	78.8	13%	0.133	42%	0.42	C	S	.	.			trans	-141.2	46.5	176.1	-64.3	166.9	-80.8	0	0	109.1	K570 P595 Y596 D597	K570-M576 HydrophobicContact CD-CE 4.04Å; K570-M576 HydrophobicContact CG-CE 4.41Å; M576-P595 WeakPolarHBondContact CG-O 3.4Å; M576-Y596 HydrophobicContact CG-CD1 3.68Å; M576-Y596 HydrophobicContact CG-CE1 4.35Å; M576-Y596 HydrophobicContact SD-CD1 4.12Å; M576-Y596 HydrophobicContact SD-CE1 4.21Å; M576-D597 WeakPolarHBondContact CA-OD2 3.35Å; M576-D597 PolarHBondContact N-OD2 3.21Å; M576-D597 VanDerWaalsContact N-OD2 3.14Å
577	L	91.8	Very high	90.5	Very high	111 Å²	111	72.1 Å²	72.1	58%	0.581	39%	0.389	S	S	*	.			trans	-84.3	-39.5	-172.1	-63.5	176.7	0	0	0	111.9	A579 K580 L581 D597	L577-A579 PolarHBondContact O-N 2.93Å; L577-K580 PolarHBondContact O-N 3.31Å; L577-L581 PolarHBondContact O-N 2.83Å; L577-D597 VanDerWaalsContact N-CG 3.3Å; L577-D597 PolarHBondContact N-OD1 3.48Å; L577-D597 PolarHBondContact N-OD2 2.83Å
578	C	90.9	Very high	90.8	Very high	28 Å²	28	72.1 Å²	72.1	19%	0.189	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-57.9	-38.7	-179.4	-66.5	0	0	0	0	111.4	K580 L581 N584 D597 Y609	C578-K580 PolarHBondContact O-N 3.05Å; C578-L581 PolarHBondContact O-N 2.72Å; C578-N584 WeakPolarHBondContact O-CB 3.44Å; C578-N584 PolarHBondContact O-ND2 2.78Å; C578-D597 VanDerWaalsContact CB-OD1 3.29Å; C578-D597 WeakPolarHBondContact CB-OD1 3.4Å; C578-D597 PolarHBondContact N-OD1 2.79Å; C578-D597 PolarHBondContact SG-OD1 2.92Å; C578-Y609 HydrophobicContact CB-CD2 4.4Å
579	A	91.8	Very high	91.1	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.008	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.5	-20.4	177.6	0	0	0	0	0	114.6	L577 N588 P595 Y609	L577-A579 PolarHBondContact O-N 2.93Å; A579-N588 PolarHBondContact O-ND2 2.9Å; A579-P595 HydrophobicContact CB-CG 4.28Å; A579-Y609 WeakPolarHBondContact CA-OH 3.15Å; A579-Y609 HydrophobicContact CB-CE2 3.94Å; A579-Y609 WeakPolarHBondContact CB-OH 3.42Å
580	K	90.4	Very high	91.2	Very high	131 Å²	131	66.8 Å²	66.8	57%	0.57	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-101.7	-4.4	-176.5	-62.2	177.4	-175.2	177.6	0	113.3	L577 C578	L577-K580 PolarHBondContact O-N 3.31Å; C578-K580 PolarHBondContact O-N 3.05Å
581	L	91.5	Very high	91	Very high	72 Å²	72	74 Å²	74	38%	0.377	39%	0.394	S	S	.	.	S	Bend	trans	-61.6	139.8	175.1	-64	174.8	0	0	0	110.1	L577 C578 Q583 N584 V585	L577-L581 PolarHBondContact O-N 2.83Å; C578-L581 PolarHBondContact O-N 2.72Å; L581-Q583 PolarHBondContact O-N 2.89Å; L581-Q583 VanDerWaalsContact O-N 3.09Å; L581-N584 HydrophobicContact CB-CB 4.42Å; L581-N584 WeakPolarHBondContact O-CA 3.41Å; L581-N584 PolarHBondContact O-N 2.93Å; L581-V585 PolarHBondContact O-N 3.21Å; L581-V585 VanDerWaalsContact O-N 3.17Å
582	P	91.3	Very high	91	Very high	114 Å²	114	73.3 Å²	73.3	74%	0.74	40%	0.399	S	S	*	.	H	α-helix	trans	-51.8	-38.5	-172.5	-29.8	36.1	0	0	0	114.9	N584	P582-N584 VanDerWaalsContact C-N 3.31Å; P582-N584 PolarHBondContact O-N 2.78Å
583	Q	92.4	Very high	91.4	Very high	112 Å²	112	68.7 Å²	68.7	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-67.5	-26.7	176.9	65.8	-85	25.9	0	0	114	L581	L581-Q583 PolarHBondContact O-N 2.89Å; L581-Q583 VanDerWaalsContact O-N 3.09Å
584	N	93.9	Very high	91.9	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.011	33%	0.329	C	S	.	.	H	α-helix	trans	-97.2	-18.9	-173.6	-68.7	-15.4	0	0	0	113.4	C578 L581 P582 S586 K587 N588 Y609	C578-N584 WeakPolarHBondContact O-CB 3.44Å; C578-N584 PolarHBondContact O-ND2 2.78Å; L581-N584 HydrophobicContact CB-CB 4.42Å; L581-N584 WeakPolarHBondContact O-CA 3.41Å; L581-N584 PolarHBondContact O-N 2.93Å; P582-N584 VanDerWaalsContact C-N 3.31Å; P582-N584 PolarHBondContact O-N 2.78Å; N584-S586 VanDerWaalsContact C-N 3.28Å; N584-S586 PolarHBondContact O-N 2.89Å; N584-K587 WeakPolarHBondContact O-CB 3.12Å; N584-K587 PolarHBondContact O-N 2.84Å; N584-N588 PolarHBondContact O-ND2 3.04Å; N584-Y609 HydrophobicContact CB-CD1 3.64Å; N584-Y609 HydrophobicContact CB-CD2 4.43Å; N584-Y609 HydrophobicContact CB-CE1 4Å; N584-Y609 HydrophobicContact CB-CG 3.88Å; N584-Y609 VanDerWaalsContact CG-CB 3.46Å; N584-Y609 VanDerWaalsContact CG-CG 3.45Å; N584-Y609 WeakPolarHBondContact ND2-CB 3.34Å; N584-Y609 WeakPolarHBondContact OD1-CB 3.28Å
585	V	92.3	Very high	92.2	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-57	-41	-178	171.9	0	0	0	0	111.8	L581 K587 N588	L581-V585 PolarHBondContact O-N 3.21Å; L581-V585 VanDerWaalsContact O-N 3.17Å; V585-K587 PolarHBondContact O-N 3.35Å; V585-N588 PolarHBondContact O-N 2.96Å
586	S	93.8	Very high	92.4	Very high	77 Å²	77	60 Å²	60	54%	0.538	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.9	179.2	58.1	0	0	0	0	114.6	N584 N637	N584-S586 VanDerWaalsContact C-N 3.28Å; N584-S586 PolarHBondContact O-N 2.89Å; S586-N637 PolarHBondContact O-ND2 3.33Å; S586-N637 VanDerWaalsContact O-ND2 3.16Å
587	K	95.2	Very high	92.4	Very high	19 Å²	19	60.1 Å²	60.1	8%	0.083	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8	172.8	-62.7	-172.7	167.1	-157.2	0	112.7	N584 V585 D607 Y609 Q632 T638 D641	N584-K587 WeakPolarHBondContact O-CB 3.12Å; N584-K587 PolarHBondContact O-N 2.84Å; V585-K587 PolarHBondContact O-N 3.35Å; K587-D607 WeakPolarHBondContact CE-OD2 3.2Å; K587-D607 IonicContact NZ-OD1 3.21Å; K587-D607 PolarHBondContact NZ-OD1 3.06Å; K587-D607 IonicContact NZ-OD2 3.73Å; K587-D607 PolarHBondContact NZ-OD2 3.3Å; K587-Y609 HydrophobicContact CB-CD1 3.99Å; K587-Y609 HydrophobicContact CB-CE1 4.04Å; K587-Y609 HydrophobicContact CD-CD1 3.94Å; K587-Y609 WeakPolarHBondContact CD-O 3.46Å; K587-Y609 PolarHBondContact NZ-O 2.76Å; K587-Q632 PolarHBondContact O-NE2 3Å; K587-T638 HydrophobicContact CB-CG2 4.01Å; K587-T638 HydrophobicContact CG-CG2 4.12Å; K587-D641 WeakPolarHBondContact CE-OD2 3.38Å; K587-D641 IonicContact NZ-OD1 3.42Å; K587-D641 IonicContact NZ-OD2 3.91Å; K587-D641 PolarHBondContact NZ-OD2 3.35Å
588	N	94.7	Very high	92.6	Very high	21 Å²	21	58.9 Å²	58.9	11%	0.112	31%	0.307	C	S	.	.			trans	-93.5	125.4	177.6	-61.2	-52.5	0	0	0	111.1	A579 N584 V585 Y590 Y609 N611	A579-N588 PolarHBondContact O-ND2 2.9Å; N584-N588 PolarHBondContact O-ND2 3.04Å; V585-N588 PolarHBondContact O-N 2.96Å; N588-Y590 VanDerWaalsContact C-N 3.26Å; N588-Y590 PolarHBondContact O-N 3.14Å; N588-Y609 PolarHBondContact OD1-OH 3.15Å; N588-N611 PolarHBondContact OD1-ND2 3.24Å
589	R	92.9	Very high	92.8	Very high	40 Å²	40	59 Å²	59	15%	0.151	31%	0.307	C	S	.	.	S	Bend	trans	-66.1	-30.2	174.6	180	178.5	-72.9	-79.8	-1.6	112.4	G633 P634 L635 V666 K667 S758	R589-G633 VanDerWaalsContact CZ-O 3.31Å; R589-G633 PolarHBondContact NE-O 3.39Å; R589-G633 PolarHBondContact NH2-O 3.29Å; R589-P634 PolarHBondContact NH2-O 2.85Å; R589-L635 HydrophobicContact CB-CD2 4.13Å; R589-L635 HydrophobicContact CB-CG 4.37Å; R589-L635 HydrophobicContact CG-CD2 4.23Å; R589-V666 PolarHBondContact NH1-O 2.88Å; R589-K667 PolarHBondContact NE-O 2.9Å; R589-K667 PolarHBondContact NH1-O 3.09Å; R589-S758 WeakPolarHBondContact CD-O 2.77Å; R589-S758 WeakPolarHBondContact CD-OG 3.31Å
590	Y	90.7	Very high	93.1	Very high	76 Å²	76	60.6 Å²	60.6	30%	0.298	31%	0.313	S	S	.	.	S	Bend	trans	-134.1	132.3	-179.7	-59.8	-75.7	0	0	0	109.6	N588 D592 I593 S758 A759	N588-Y590 VanDerWaalsContact C-N 3.26Å; N588-Y590 PolarHBondContact O-N 3.14Å; Y590-D592 VanDerWaalsContact C-N 3.29Å; Y590-D592 PolarHBondContact O-N 3.32Å; Y590-I593 HydrophobicContact CD2-CG1 4.49Å; Y590-I593 HydrophobicContact CG-CG1 4.34Å; Y590-I593 PolarHBondContact O-N 3.43Å; Y590-S758 PolarHBondContact OH-OG 3.12Å; Y590-A759 HydrophobicContact CD2-CB 3.73Å; Y590-A759 HydrophobicContact CE2-CB 3.7Å
591	R	87.3	Confident	93.4	Very high	238 Å²	238	54.3 Å²	54.3	90%	0.898	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.9	-173.7	-176	178.8	176.8	-169.5	-0.5	113.4
592	D	86.5	Confident	93.6	Very high	98 Å²	98	54.3 Å²	54.3	52%	0.524	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.7	-176	60.7	-43.9	0	0	0	113.9	Y590	Y590-D592 VanDerWaalsContact C-N 3.29Å; Y590-D592 PolarHBondContact O-N 3.32Å
593	I	92.3	Very high	93.8	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.046	25%	0.254	C	S	.	.			trans	-103.7	93.3	-179.4	-46.2	-52.4	0	0	0	110.1	Y590 N611 A759 I761 M798	Y590-I593 HydrophobicContact CD2-CG1 4.49Å; Y590-I593 HydrophobicContact CG-CG1 4.34Å; Y590-I593 PolarHBondContact O-N 3.43Å; I593-N611 PolarHBondContact O-ND2 3.29Å; I593-A759 HydrophobicContact CG1-CB 4.42Å; I593-A759 HydrophobicContact CG2-CB 4.45Å; I593-I761 HydrophobicContact CD1-CD1 3.67Å; I593-I761 HydrophobicContact CG1-CD1 4.24Å; I593-I761 HydrophobicContact CG2-CD1 4.1Å; I593-I761 HydrophobicContact CG2-CG2 4.06Å; I593-M798 HydrophobicContact CD1-CE 3.49Å; I593-M798 VanDerWaalsContact CD1-CE 3.49Å; I593-M798 HydrophobicContact CD1-SD 4.13Å
594	S	94.8	Very high	93.6	Very high	10 Å²	10	52.2 Å²	52.2	7%	0.07	27%	0.266	C	S	.	.			trans	-112.8	143.6	179.5	-56.1	0	0	0	0	111.7
595	P	95.9	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.			trans	-68	150.8	167.2	32.3	-37.2	0	0	0	110.9	M576 A579 R600 Y609 N613	M576-P595 WeakPolarHBondContact CG-O 3.4Å; A579-P595 HydrophobicContact CB-CG 4.28Å; P595-R600 HydrophobicContact CB-CB 4.22Å; P595-Y609 WeakPolarHBondContact CD-OH 3.31Å; P595-Y609 HydrophobicContact CG-CE2 3.82Å; P595-Y609 WeakPolarHBondContact CG-OH 3.33Å; P595-N613 WeakPolarHBondContact CA-OD1 3.4Å; P595-N613 WeakPolarHBondContact CB-OD1 3.41Å
596	Y	96.8	Very high	92.1	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	30%	0.304	C	S	.	.			trans	-70.4	144.2	165.5	-57.1	-59.9	0	0	0	110.8	K570 R571 M574 T575 M576 A598 R600 N613 R793 Q795 A797	K570-Y596 WeakPolarHBondContact CA-OH 3.48Å; R571-Y596 PolarHBondContact N-OH 3.39Å; M574-Y596 HydrophobicContact CB-CD1 3.52Å; M574-Y596 HydrophobicContact CB-CE1 3.71Å; M574-Y596 HydrophobicContact CB-CG 4.08Å; M574-Y596 HydrophobicContact CE-CD1 4.4Å; M574-Y596 HydrophobicContact CE-CD2 3.64Å; M574-Y596 HydrophobicContact CE-CE2 4.27Å; M574-Y596 HydrophobicContact CE-CG 3.72Å; M574-Y596 HydrophobicContact CG-CD1 4.45Å; M574-Y596 HydrophobicContact SD-CD1 4.14Å; M574-Y596 HydrophobicContact SD-CD2 3.68Å; M574-Y596 HydrophobicContact SD-CE1 4.17Å; M574-Y596 HydrophobicContact SD-CE2 3.69Å; M574-Y596 HydrophobicContact SD-CG 3.91Å; T575-Y596 CarbonylContact O-C 3.59Å; T575-Y596 VanDerWaalsContact O-CA 3.26Å; T575-Y596 WeakPolarHBondContact O-CA 3.46Å; M576-Y596 HydrophobicContact CG-CD1 3.68Å; M576-Y596 HydrophobicContact CG-CE1 4.35Å; M576-Y596 HydrophobicContact SD-CD1 4.12Å; M576-Y596 HydrophobicContact SD-CE1 4.21Å; Y596-A598 VanDerWaalsContact C-N 3.31Å; Y596-A598 PolarHBondContact O-N 3Å; Y596-R600 WeakPolarHBondContact O-CB 3.05Å; Y596-R600 PolarHBondContact O-N 3.08Å; Y596-R600 VanDerWaalsContact O-N 3.13Å; Y596-N613 PolarHBondContact N-ND2 3.5Å; Y596-N613 PolarHBondContact O-ND2 2.96Å; Y596-R793 VanDerWaalsContact CE2-O 3.25Å; Y596-R793 WeakPolarHBondContact CE2-O 3.39Å; Y596-R793 PolarHBondContact OH-O 3.06Å; Y596-Q795 WeakPolarHBondContact CD2-O 3.02Å; Y596-A797 HydrophobicContact CE1-CB 4.04Å; Y596-A797 HydrophobicContact CE2-CB 4.38Å
597	D	93.9	Very high	91.7	Very high	29 Å²	29	56.6 Å²	56.6	16%	0.155	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.4	-178.1	-53.9	-45.4	0	0	0	112.4	T575 M576 L577 C578	T575-D597 WeakPolarHBondContact CB-OD2 3.31Å; T575-D597 PolarHBondContact O-N 2.76Å; T575-D597 PolarHBondContact OG1-OD2 2.75Å; M576-D597 WeakPolarHBondContact CA-OD2 3.35Å; M576-D597 PolarHBondContact N-OD2 3.21Å; M576-D597 VanDerWaalsContact N-OD2 3.14Å; L577-D597 VanDerWaalsContact N-CG 3.3Å; L577-D597 PolarHBondContact N-OD1 3.48Å; L577-D597 PolarHBondContact N-OD2 2.83Å; C578-D597 VanDerWaalsContact CB-OD1 3.29Å; C578-D597 WeakPolarHBondContact CB-OD1 3.4Å; C578-D597 PolarHBondContact N-OD1 2.79Å; C578-D597 PolarHBondContact SG-OD1 2.92Å
598	A	95.1	Very high	91.5	Very high	85 Å²	85	58.4 Å²	58.4	70%	0.702	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.9	-176.4	0	0	0	0	0	114.3	M574 Y596	M574-A598 HydrophobicContact CE-CB 4.1Å; Y596-A598 VanDerWaalsContact C-N 3.31Å; Y596-A598 PolarHBondContact O-N 3Å
599	T	96.5	Very high	91.6	Very high	30 Å²	30	57.4 Å²	57.4	18%	0.184	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	7.2	-174.2	58.6	0	0	0	0	112.8	M574 N613 Y614 Q795	M574-T599 HydrophobicContact CE-CG2 4.18Å; T599-N613 VanDerWaalsContact C-ND2 3.32Å; T599-N613 VanDerWaalsContact O-CA 3.25Å; T599-N613 WeakPolarHBondContact O-CA 3.48Å; T599-N613 PolarHBondContact O-ND2 3.25Å; T599-N613 PolarHBondContact OG1-ND2 3.41Å; T599-Y614 PolarHBondContact O-N 3.18Å; T599-Q795 PolarHBondContact OG1-O 3.17Å
600	R	96.6	Very high	91.9	Very high	34 Å²	34	55.9 Å²	55.9	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	152.5	178.5	70.1	-175.8	176.1	102.2	-5.9	111.1	P595 Y596 V602 D608 A612 N613	P595-R600 HydrophobicContact CB-CB 4.22Å; Y596-R600 WeakPolarHBondContact O-CB 3.05Å; Y596-R600 PolarHBondContact O-N 3.08Å; Y596-R600 VanDerWaalsContact O-N 3.13Å; R600-V602 HydrophobicContact CG-CG2 4.13Å; R600-D608 IonicContact CZ-OD2 3.74Å; R600-D608 PolarHBondContact NH1-O 2.95Å; R600-D608 IonicContact NH1-OD1 2.69Å; R600-D608 IonicContact NH1-OD2 3.65Å; R600-D608 PolarHBondContact NH1-OD2 2.91Å; R600-D608 IonicContact NH2-OD2 3.94Å; R600-D608 PolarHBondContact NH2-OD2 3.44Å; R600-A612 VanDerWaalsContact CA-O 3.27Å; R600-A612 WeakPolarHBondContact CA-O 3.24Å; R600-N613 WeakPolarHBondContact CA-ND2 3.46Å; R600-N613 PolarHBondContact N-ND2 2.79Å
601	V	97.2	Very high	92.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.5	164.3	-170.8	0	0	0	0	108.7	I610 A612 Y614 I629 M645 Q649	V601-I610 HydrophobicContact CB-CG2 4.15Å; V601-A612 HydrophobicContact CB-CB 4.12Å; V601-A612 HydrophobicContact CG2-CB 3.79Å; V601-A612 PolarHBondContact N-O 3.17Å; V601-Y614 HydrophobicContact CB-CE2 4.33Å; V601-Y614 HydrophobicContact CG2-CD1 4.34Å; V601-Y614 HydrophobicContact CG2-CD2 4.25Å; V601-Y614 HydrophobicContact CG2-CE1 4.06Å; V601-Y614 HydrophobicContact CG2-CE2 3.98Å; V601-Y614 HydrophobicContact CG2-CG 4.43Å; V601-I629 HydrophobicContact CG2-CG1 4.2Å; V601-I629 HydrophobicContact CG2-CG2 3.8Å; V601-M645 HydrophobicContact CG1-CG 3.89Å; V601-M645 HydrophobicContact CG2-SD 4.46Å; V601-Q649 HydrophobicContact CG1-CG 4.19Å
602	V	96.5	Very high	92.7	Very high	71 Å²	71	41 Å²	41	43%	0.43	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	-179.8	-172.7	0	0	0	0	107.9	R600 D608	R600-V602 HydrophobicContact CG-CG2 4.13Å; V602-D608 HydrophobicContact CG1-CB 4Å
603	L	94.1	Very high	93.3	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	21%	0.208	C	C	.	.			trans	-83.8	142	-179.4	-60.8	-178.2	0	0	0	111.5	S605 D608 I610 D641 R644 M645	L603-S605 PolarHBondContact O-N 3.29Å; L603-D608 PolarHBondContact N-O 3.21Å; L603-D608 VanDerWaalsContact N-O 3.07Å; L603-I610 HydrophobicContact CD1-CB 4.18Å; L603-I610 HydrophobicContact CD1-CG2 4.35Å; L603-I610 HydrophobicContact CD2-CG2 4.05Å; L603-I610 HydrophobicContact CG-CB 4.41Å; L603-I610 HydrophobicContact CG-CG2 4.04Å; L603-D641 HydrophobicContact CD1-CB 3.81Å; L603-R644 HydrophobicContact CD2-CG 4.43Å; L603-M645 HydrophobicContact CD2-CB 3.88Å
604	K	88.8	Confident	93.5	Very high	176 Å²	176	39 Å²	39	77%	0.765	22%	0.218	S	C	*	.	S	Bend	trans	-83.9	60.8	174	-61.7	174.4	-177.2	173.4	0	111.1	E648	K604-E648 WeakPolarHBondContact CB-OE1 3.43Å; K604-E648 PolarHBondContact N-OE1 2.97Å; K604-E648 VanDerWaalsContact N-OE1 3.09Å; K604-E648 PolarHBondContact N-OE2 3.44Å
605	S	80.4	Confident	93.7	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	22%	0.215	S	C	.	.	S	Bend	trans	-137.9	178.4	179.5	106.7	0	0	0	0	112.5	L603 D607 R644	L603-S605 PolarHBondContact O-N 3.29Å; S605-D607 PolarHBondContact O-N 2.9Å; S605-D607 PolarHBondContact OG-N 2.91Å; S605-D607 VanDerWaalsContact OG-N 3.1Å; S605-D607 PolarHBondContact OG-O 3Å; S605-R644 VanDerWaalsContact CB-NH1 3.26Å; S605-R644 PolarHBondContact OG-NH1 3.47Å
606	T	74.3	Confident	93.7	Very high	162 Å²	162	41.2 Å²	41.2	99%	0.994	23%	0.229	S	C	*	.	S	Bend	trans	-60.1	-22.7	172.5	46.7	0	0	0	0	113.1
607	D	84.4	Confident	93.5	Very high	45 Å²	45	41.4 Å²	41.4	24%	0.241	23%	0.23	C	C	.	.	S	Bend	trans	-119.2	122.4	171	-173.4	-44	0	0	0	108.1	K587 S605 Y609	K587-D607 WeakPolarHBondContact CE-OD2 3.2Å; K587-D607 IonicContact NZ-OD1 3.21Å; K587-D607 PolarHBondContact NZ-OD1 3.06Å; K587-D607 IonicContact NZ-OD2 3.73Å; K587-D607 PolarHBondContact NZ-OD2 3.3Å; S605-D607 PolarHBondContact O-N 2.9Å; S605-D607 PolarHBondContact OG-N 2.91Å; S605-D607 VanDerWaalsContact OG-N 3.1Å; S605-D607 PolarHBondContact OG-O 3Å; D607-Y609 PolarHBondContact OD1-N 3.47Å; D607-Y609 VanDerWaalsContact OD1-N 3.12Å
608	D	92.9	Very high	93.3	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	25%	0.254	S	S	.	.			trans	-95.2	-0.8	-169.2	83.6	-40.4	0	0	0	113.2	R600 V602 L603	R600-D608 IonicContact CZ-OD2 3.74Å; R600-D608 PolarHBondContact NH1-O 2.95Å; R600-D608 IonicContact NH1-OD1 2.69Å; R600-D608 IonicContact NH1-OD2 3.65Å; R600-D608 PolarHBondContact NH1-OD2 2.91Å; R600-D608 IonicContact NH2-OD2 3.94Å; R600-D608 PolarHBondContact NH2-OD2 3.44Å; V602-D608 HydrophobicContact CG1-CB 4Å; L603-D608 PolarHBondContact N-O 3.21Å; L603-D608 VanDerWaalsContact N-O 3.07Å
609	Y	96.6	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.8	-165.3	-176.7	-97.1	0	0	0	114.2	C578 A579 N584 K587 N588 P595 D607	C578-Y609 HydrophobicContact CB-CD2 4.4Å; A579-Y609 WeakPolarHBondContact CA-OH 3.15Å; A579-Y609 HydrophobicContact CB-CE2 3.94Å; A579-Y609 WeakPolarHBondContact CB-OH 3.42Å; N584-Y609 HydrophobicContact CB-CD1 3.64Å; N584-Y609 HydrophobicContact CB-CD2 4.43Å; N584-Y609 HydrophobicContact CB-CE1 4Å; N584-Y609 HydrophobicContact CB-CG 3.88Å; N584-Y609 VanDerWaalsContact CG-CB 3.46Å; N584-Y609 VanDerWaalsContact CG-CG 3.45Å; N584-Y609 WeakPolarHBondContact ND2-CB 3.34Å; N584-Y609 WeakPolarHBondContact OD1-CB 3.28Å; K587-Y609 HydrophobicContact CB-CD1 3.99Å; K587-Y609 HydrophobicContact CB-CE1 4.04Å; K587-Y609 HydrophobicContact CD-CD1 3.94Å; K587-Y609 WeakPolarHBondContact CD-O 3.46Å; K587-Y609 PolarHBondContact NZ-O 2.76Å; N588-Y609 PolarHBondContact OD1-OH 3.15Å; P595-Y609 WeakPolarHBondContact CD-OH 3.31Å; P595-Y609 HydrophobicContact CG-CE2 3.82Å; P595-Y609 WeakPolarHBondContact CG-OH 3.33Å; D607-Y609 PolarHBondContact OD1-N 3.47Å; D607-Y609 VanDerWaalsContact OD1-N 3.12Å
610	I	97.5	Very high	92	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.3	163.1	-175	163.8	0	0	0	109.4	V601 L603 A612 D641 F642 M645	V601-I610 HydrophobicContact CB-CG2 4.15Å; L603-I610 HydrophobicContact CD1-CB 4.18Å; L603-I610 HydrophobicContact CD1-CG2 4.35Å; L603-I610 HydrophobicContact CD2-CG2 4.05Å; L603-I610 HydrophobicContact CG-CB 4.41Å; L603-I610 HydrophobicContact CG-CG2 4.04Å; I610-A612 HydrophobicContact CG1-CB 4.45Å; I610-A612 HydrophobicContact CG2-CB 4.08Å; I610-A612 PolarHBondContact O-N 3.29Å; I610-D641 HydrophobicContact CD1-CB 4.16Å; I610-F642 HydrophobicContact CD1-CB 4.49Å; I610-M645 HydrophobicContact CD1-CB 4.12Å; I610-M645 HydrophobicContact CD1-SD 3.84Å; I610-M645 HydrophobicContact CG2-SD 4.31Å
611	N	97.6	Very high	90.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	76.4	175.1	-168	-40.8	0	0	0	110.7	N588 I593 C631 Q632 R796	N588-N611 PolarHBondContact OD1-ND2 3.24Å; I593-N611 PolarHBondContact O-ND2 3.29Å; N611-C631 WeakPolarHBondContact O-CA 3.46Å; N611-C631 WeakPolarHBondContact O-CB 3.27Å; N611-Q632 HydrophobicContact CB-CG 4.05Å; N611-Q632 PolarHBondContact O-N 2.89Å; N611-Q632 VanDerWaalsContact O-N 3.17Å; N611-R796 PolarHBondContact OD1-NH1 3.33Å; N611-R796 VanDerWaalsContact OD1-NH1 3.11Å; N611-R796 PolarHBondContact OD1-NH2 3.49Å
612	A	97.9	Very high	89.6	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.3	179.3	0	0	0	0	0	110.4	R600 V601 I610 I629 A630 C631 M645	R600-A612 VanDerWaalsContact CA-O 3.27Å; R600-A612 WeakPolarHBondContact CA-O 3.24Å; V601-A612 HydrophobicContact CB-CB 4.12Å; V601-A612 HydrophobicContact CG2-CB 3.79Å; V601-A612 PolarHBondContact N-O 3.17Å; I610-A612 HydrophobicContact CG1-CB 4.45Å; I610-A612 HydrophobicContact CG2-CB 4.08Å; I610-A612 PolarHBondContact O-N 3.29Å; A612-I629 HydrophobicContact CB-CG2 3.94Å; A612-A630 WeakPolarHBondContact CA-O 3.22Å; A612-C631 HydrophobicContact CB-CB 3.5Å; A612-C631 VanDerWaalsContact CB-CB 3.5Å; A612-M645 HydrophobicContact CB-SD 3.63Å
613	N	98.3	Very high	88.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.4	169.1	-65.5	95.3	0	0	0	110.4	P595 Y596 T599 R600 I629 A630 Q795 R796	P595-N613 WeakPolarHBondContact CA-OD1 3.4Å; P595-N613 WeakPolarHBondContact CB-OD1 3.41Å; Y596-N613 PolarHBondContact N-ND2 3.5Å; Y596-N613 PolarHBondContact O-ND2 2.96Å; T599-N613 VanDerWaalsContact C-ND2 3.32Å; T599-N613 VanDerWaalsContact O-CA 3.25Å; T599-N613 WeakPolarHBondContact O-CA 3.48Å; T599-N613 PolarHBondContact O-ND2 3.25Å; T599-N613 PolarHBondContact OG1-ND2 3.41Å; R600-N613 WeakPolarHBondContact CA-ND2 3.46Å; R600-N613 PolarHBondContact N-ND2 2.79Å; N613-I629 CarbonylContact O-C 3.54Å; N613-I629 WeakPolarHBondContact O-CA 3.42Å; N613-A630 PolarHBondContact N-O 3.34Å; N613-A630 PolarHBondContact O-N 3.22Å; N613-Q795 WeakPolarHBondContact CB-O 3.4Å; N613-R796 HydrophobicContact CB-CB 3.97Å; N613-R796 HydrophobicContact CB-CG 4.27Å; N613-R796 WeakPolarHBondContact OD1-CG 3.24Å; N613-R796 PolarHBondContact OD1-NH1 3.01Å
614	Y	98.1	Very high	88	Confident	66 Å²	66	54.4 Å²	54.4	26%	0.259	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.8	160.1	-56.7	-78.2	0	0	0	109.2	T599 V601 Y628 I629 Q649	T599-Y614 PolarHBondContact O-N 3.18Å; V601-Y614 HydrophobicContact CB-CE2 4.33Å; V601-Y614 HydrophobicContact CG2-CD1 4.34Å; V601-Y614 HydrophobicContact CG2-CD2 4.25Å; V601-Y614 HydrophobicContact CG2-CE1 4.06Å; V601-Y614 HydrophobicContact CG2-CE2 3.98Å; V601-Y614 HydrophobicContact CG2-CG 4.43Å; Y614-Y628 WeakPolarHBondContact CA-O 3.21Å; Y614-I629 HydrophobicContact CD1-CD1 4.47Å; Y614-I629 HydrophobicContact CD1-CG1 3.85Å; Y614-I629 HydrophobicContact CE1-CD1 4.21Å; Y614-I629 HydrophobicContact CE1-CG1 4.06Å; Y614-Q649 PolarHBondContact OH-NE2 3.02Å; Y614-Q649 VanDerWaalsContact OH-NE2 3.17Å; Y614-Q649 PolarHBondContact OH-OE1 2.89Å
615	I	97.6	Very high	88	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.9	165.7	-58.2	-175.6	0	0	0	106.1	M617 Y628 A630 I768 M792 Q795 R796 M799	I615-M617 HydrophobicContact CG2-CG 4.2Å; I615-M617 HydrophobicContact CG2-SD 3.75Å; I615-Y628 PolarHBondContact N-O 3.39Å; I615-Y628 WeakPolarHBondContact O-CA 3.45Å; I615-Y628 WeakPolarHBondContact O-CB 3.49Å; I615-Y628 WeakPolarHBondContact O-CD2 3.23Å; I615-Y628 PolarHBondContact O-N 3.36Å; I615-A630 HydrophobicContact CD1-CB 3.49Å; I615-A630 VanDerWaalsContact CD1-CB 3.49Å; I615-A630 HydrophobicContact CG1-CB 4.02Å; I615-I768 HydrophobicContact CD1-CD1 4.16Å; I615-M792 HydrophobicContact CG2-CG 4.15Å; I615-Q795 HydrophobicContact CG1-CB 4.09Å; I615-R796 HydrophobicContact CD1-CB 3.89Å; I615-R796 HydrophobicContact CG1-CB 4.3Å; I615-M799 HydrophobicContact CD1-CE 3.41Å; I615-M799 VanDerWaalsContact CD1-CE 3.41Å; I615-M799 HydrophobicContact CD1-CG 4.2Å; I615-M799 HydrophobicContact CD1-SD 3.85Å
616	N	95.7	Very high	88.6	Confident	56 Å²	56	47.1 Å²	47.1	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	176.6	-61.5	-35.9	0	0	0	107.7	I625 R627 Q795	N616-I625 HydrophobicContact CB-CG2 3.96Å; N616-R627 WeakPolarHBondContact OD1-CG 3.46Å; N616-Q795 PolarHBondContact O-NE2 3.1Å
617	M	93.9	Very high	89.6	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	106.2	179.2	-56.7	-57.5	-61.9	0	0	108.4	I615 N626 Y628 I768 T772 I788 T791 M792	I615-M617 HydrophobicContact CG2-CG 4.2Å; I615-M617 HydrophobicContact CG2-SD 3.75Å; M617-N626 HydrophobicContact CB-CB 4.39Å; M617-N626 PolarHBondContact N-O 3.05Å; M617-N626 PolarHBondContact O-N 2.94Å; M617-Y628 HydrophobicContact CB-CE2 4.21Å; M617-Y628 HydrophobicContact CG-CD2 4.27Å; M617-Y628 HydrophobicContact CG-CE2 3.77Å; M617-I768 HydrophobicContact CG-CG2 3.71Å; M617-I768 HydrophobicContact SD-CG2 4.26Å; M617-T772 HydrophobicContact CB-CG2 4.31Å; M617-T772 HydrophobicContact CE-CG2 4.01Å; M617-I788 HydrophobicContact CE-CG2 3.81Å; M617-T791 HydrophobicContact CE-CG2 4Å; M617-T791 HydrophobicContact SD-CG2 4.1Å; M617-M792 HydrophobicContact CE-CG 4.13Å; M617-M792 HydrophobicContact SD-CG 3.74Å
618	E	89.7	Confident	90.2	Very high	140 Å²	140	40.6 Å²	40.6	65%	0.654	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.7	-179.4	-55.3	-174	171.2	0	0	110.4	I625	E618-I625 HydrophobicContact CG-CD1 4.24Å; E618-I625 HydrophobicContact CG-CG1 4.09Å; E618-I625 HydrophobicContact CG-CG2 4.18Å
619	I	86.4	Confident	90.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	100.1	176.3	-50.5	-61.9	0	0	0	107.6	A621 S622 S623 L624 T772 C775 L776	I619-A621 VanDerWaalsContact C-N 3.27Å; I619-A621 PolarHBondContact O-N 3.36Å; I619-A621 VanDerWaalsContact O-N 3.09Å; I619-S622 VanDerWaalsContact CG2-OG 3.3Å; I619-S622 WeakPolarHBondContact CG2-OG 3.01Å; I619-S622 PolarHBondContact O-N 3.17Å; I619-S623 PolarHBondContact O-N 3.14Å; I619-L624 HydrophobicContact CB-CB 4.29Å; I619-L624 HydrophobicContact CG1-CB 4.36Å; I619-L624 HydrophobicContact CG1-CD2 4.48Å; I619-L624 PolarHBondContact N-O 3.26Å; I619-T772 HydrophobicContact CD1-CG2 3.97Å; I619-C775 HydrophobicContact CD1-CB 3.71Å; I619-C775 HydrophobicContact CG1-CB 3.91Å; I619-C775 HydrophobicContact CG2-CB 4.46Å; I619-L776 HydrophobicContact CD1-CD2 4.39Å; I619-L776 HydrophobicContact CD1-CG 4.24Å; I619-L776 HydrophobicContact CG2-CD2 4.23Å
620	P	76.8	Confident	90.6	Very high	108 Å²	108	37.9 Å²	37.9	70%	0.701	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.6	-164.1	-29.5	36.2	0	0	0	115.5
621	A	71.9	Confident	90.6	Very high	55 Å²	55	37.5 Å²	37.5	46%	0.455	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.4	-174.7	0	0	0	0	0	115.1	I619 C779 Q781	I619-A621 VanDerWaalsContact C-N 3.27Å; I619-A621 PolarHBondContact O-N 3.36Å; I619-A621 VanDerWaalsContact O-N 3.09Å; A621-C779 HydrophobicContact CB-CB 4.06Å; A621-Q781 HydrophobicContact CB-CG 3.67Å
622	S	71.2	Confident	90.6	Very high	33 Å²	33	38 Å²	38	23%	0.231	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	1.9	-175.9	55.4	0	0	0	0	114	I619 L624	I619-S622 VanDerWaalsContact CG2-OG 3.3Å; I619-S622 WeakPolarHBondContact CG2-OG 3.01Å; I619-S622 PolarHBondContact O-N 3.17Å; S622-L624 PolarHBondContact O-N 3.18Å; S622-L624 WeakPolarHBondContact OG-CB 3.47Å
623	S	74.9	Confident	90.5	Very high	115 Å²	115	38 Å²	38	80%	0.804	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	11	-170.6	66.4	0	0	0	0	114.7	I619	I619-S623 PolarHBondContact O-N 3.14Å
624	L	82.9	Confident	90.5	Very high	76 Å²	76	38 Å²	38	40%	0.398	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129	-179.8	-177.9	67.3	0	0	0	109.5	I619 S622	I619-L624 HydrophobicContact CB-CB 4.29Å; I619-L624 HydrophobicContact CG1-CB 4.36Å; I619-L624 HydrophobicContact CG1-CD2 4.48Å; I619-L624 PolarHBondContact N-O 3.26Å; S622-L624 PolarHBondContact O-N 3.18Å; S622-L624 WeakPolarHBondContact OG-CB 3.47Å
625	I	89.6	Confident	90.4	Very high	51 Å²	51	36.1 Å²	36.1	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.7	172.9	-53.2	-176.1	0	0	0	107.7	N616 E618 R627	N616-I625 HydrophobicContact CB-CG2 3.96Å; E618-I625 HydrophobicContact CG-CD1 4.24Å; E618-I625 HydrophobicContact CG-CG1 4.09Å; E618-I625 HydrophobicContact CG-CG2 4.18Å; I625-R627 HydrophobicContact CG2-CG 4.1Å; I625-R627 PolarHBondContact O-N 3.15Å; I625-R627 VanDerWaalsContact O-N 3.12Å
626	N	91.6	Very high	90.2	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.5	174.4	-74.5	-28.7	0	0	0	108.5	M617 Y628	M617-N626 HydrophobicContact CB-CB 4.39Å; M617-N626 PolarHBondContact N-O 3.05Å; M617-N626 PolarHBondContact O-N 2.94Å; N626-Y628 HydrophobicContact CB-CE2 3.6Å; N626-Y628 VanDerWaalsContact O-CD2 3.23Å; N626-Y628 WeakPolarHBondContact O-CD2 3.09Å; N626-Y628 WeakPolarHBondContact O-CE2 3.36Å
627	R	95.4	Very high	90.1	Very high	70 Å²	70	41.8 Å²	41.8	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.1	179	-56.4	-166.5	-173.1	79.6	4.9	111.4	N616 I625 R746 D750 P752 M753	N616-R627 WeakPolarHBondContact OD1-CG 3.46Å; I625-R627 HydrophobicContact CG2-CG 4.1Å; I625-R627 PolarHBondContact O-N 3.15Å; I625-R627 VanDerWaalsContact O-N 3.12Å; R627-R746 PolarHBondContact O-NH1 3.37Å; R627-D750 IonicContact CZ-OD1 2.88Å; R627-D750 PolarHBondContact NH1-O 3.11Å; R627-D750 IonicContact NH1-OD1 2.66Å; R627-D750 PolarHBondContact NH1-OD1 2.73Å; R627-D750 IonicContact NH1-OD2 3.53Å; R627-D750 PolarHBondContact NH1-OD2 2.81Å; R627-D750 VanDerWaalsContact NH1-OD2 3.17Å; R627-D750 IonicContact NH2-OD1 2.75Å; R627-P752 HydrophobicContact CB-CB 4.11Å; R627-M753 PolarHBondContact O-N 3.23Å; R627-M753 VanDerWaalsContact O-N 3.11Å
628	Y	97.7	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.7	-179.6	-52.1	-101.2	0	0	0	110.9	Y614 I615 M617 N626 R746 M753 V755 I768 E771	Y614-Y628 WeakPolarHBondContact CA-O 3.21Å; I615-Y628 PolarHBondContact N-O 3.39Å; I615-Y628 WeakPolarHBondContact O-CA 3.45Å; I615-Y628 WeakPolarHBondContact O-CB 3.49Å; I615-Y628 WeakPolarHBondContact O-CD2 3.23Å; I615-Y628 PolarHBondContact O-N 3.36Å; M617-Y628 HydrophobicContact CB-CE2 4.21Å; M617-Y628 HydrophobicContact CG-CD2 4.27Å; M617-Y628 HydrophobicContact CG-CE2 3.77Å; N626-Y628 HydrophobicContact CB-CE2 3.6Å; N626-Y628 VanDerWaalsContact O-CD2 3.23Å; N626-Y628 WeakPolarHBondContact O-CD2 3.09Å; N626-Y628 WeakPolarHBondContact O-CE2 3.36Å; Y628-R746 VanDerWaalsContact CZ-NH2 3.34Å; Y628-M753 CarbonylContact C-O 3.55Å; Y628-M753 VanDerWaalsContact CA-O 3.25Å; Y628-M753 WeakPolarHBondContact CA-O 3.33Å; Y628-V755 HydrophobicContact CD1-CG2 3.87Å; Y628-I768 HydrophobicContact CD1-CD1 4.13Å; Y628-I768 HydrophobicContact CD1-CG1 3.73Å; Y628-I768 HydrophobicContact CD2-CG2 4.26Å; Y628-I768 HydrophobicContact CE1-CB 4.35Å; Y628-I768 HydrophobicContact CE1-CG1 3.66Å; Y628-I768 HydrophobicContact CE1-CG2 4.34Å; Y628-I768 HydrophobicContact CE2-CG2 3.85Å; Y628-I768 HydrophobicContact CG-CD1 4.15Å; Y628-I768 HydrophobicContact CG-CG1 4.15Å; Y628-E771 VanDerWaalsContact CE1-OE2 3.23Å; Y628-E771 WeakPolarHBondContact CE1-OE2 3.4Å; Y628-E771 WeakPolarHBondContact OH-CG 3.46Å; Y628-E771 PolarHBondContact OH-OE2 2.95Å
629	I	98.5	Very high	90.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.2	162.5	-69.8	158.6	0	0	0	107.5	V601 A612 N613 Y614 M645 Q649 P752 M753 V754 V755	V601-I629 HydrophobicContact CG2-CG1 4.2Å; V601-I629 HydrophobicContact CG2-CG2 3.8Å; A612-I629 HydrophobicContact CB-CG2 3.94Å; N613-I629 CarbonylContact O-C 3.54Å; N613-I629 WeakPolarHBondContact O-CA 3.42Å; Y614-I629 HydrophobicContact CD1-CD1 4.47Å; Y614-I629 HydrophobicContact CD1-CG1 3.85Å; Y614-I629 HydrophobicContact CE1-CD1 4.21Å; Y614-I629 HydrophobicContact CE1-CG1 4.06Å; I629-M645 HydrophobicContact CG2-CE 3.92Å; I629-M645 HydrophobicContact CG2-SD 3.61Å; I629-Q649 HydrophobicContact CD1-CB 3.65Å; I629-Q649 HydrophobicContact CD1-CG 3.68Å; I629-P752 HydrophobicContact CD1-CB 3.83Å; I629-P752 HydrophobicContact CD1-CG 3.77Å; I629-P752 HydrophobicContact CG1-CB 3.96Å; I629-P752 HydrophobicContact CG1-CG 4.41Å; I629-M753 PolarHBondContact N-O 3.44Å; I629-V754 HydrophobicContact CB-CG2 4.32Å; I629-V754 HydrophobicContact CD1-CG2 4.41Å; I629-V755 PolarHBondContact O-N 3.17Å
630	A	98.3	Very high	90.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.1	177.6	0	0	0	0	0	109.7	A612 N613 I615 V755 T764 M799	A612-A630 WeakPolarHBondContact CA-O 3.22Å; N613-A630 PolarHBondContact N-O 3.34Å; N613-A630 PolarHBondContact O-N 3.22Å; I615-A630 HydrophobicContact CD1-CB 3.49Å; I615-A630 VanDerWaalsContact CD1-CB 3.49Å; I615-A630 HydrophobicContact CG1-CB 4.02Å; A630-V755 WeakPolarHBondContact CA-O 3.35Å; A630-T764 HydrophobicContact CB-CG2 3.9Å; A630-M799 HydrophobicContact CB-CE 4.38Å
631	C	98.1	Very high	91.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.7	-173.4	63.2	0	0	0	0	113.4	N611 A612 V755 H756 G760	N611-C631 WeakPolarHBondContact O-CA 3.46Å; N611-C631 WeakPolarHBondContact O-CB 3.27Å; A612-C631 HydrophobicContact CB-CB 3.5Å; A612-C631 VanDerWaalsContact CB-CB 3.5Å; C631-V755 PolarHBondContact N-O 3.07Å; C631-V755 VanDerWaalsContact N-O 3.08Å; C631-H756 WeakPolarHBondContact O-CA 3.33Å; C631-H756 WeakPolarHBondContact O-CB 3.42Å; C631-G760 WeakPolarHBondContact O-CA 3.3Å
632	Q	97.2	Very high	93.1	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.047	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-71.9	157.5	173.3	75	178.8	19	0	0	111.7	K587 N611 P634 S758	K587-Q632 PolarHBondContact O-NE2 3Å; N611-Q632 HydrophobicContact CB-CG 4.05Å; N611-Q632 PolarHBondContact O-N 2.89Å; N611-Q632 VanDerWaalsContact O-N 3.17Å; Q632-P634 WeakPolarHBondContact O-CD 3.47Å; Q632-S758 WeakPolarHBondContact CA-O 3.4Å
633	G	97.3	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-64.5	124.2	169.3	0	0	0	0	0	110.8	R589 C757 S758	R589-G633 VanDerWaalsContact CZ-O 3.31Å; R589-G633 PolarHBondContact NE-O 3.39Å; R589-G633 PolarHBondContact NH2-O 3.29Å; G633-C757 WeakPolarHBondContact CA-O 3.44Å; G633-C757 PolarHBondContact N-O 2.87Å; G633-S758 PolarHBondContact N-O 2.73Å
634	P	97.4	Very high	95.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-50.9	138.8	-172.6	-33.2	38	0	0	0	114.7	R589 Q632 F642 H669 Y671	R589-P634 PolarHBondContact NH2-O 2.85Å; Q632-P634 WeakPolarHBondContact O-CD 3.47Å; P634-F642 HydrophobicContact CB-CB 4.39Å; P634-F642 HydrophobicContact CG-CB 3.84Å; P634-F642 HydrophobicContact CG-CD1 4.16Å; P634-F642 HydrophobicContact CG-CD2 3.49Å; P634-F642 VanDerWaalsContact CG-CD2 3.49Å; P634-F642 HydrophobicContact CG-CE2 4.07Å; P634-F642 HydrophobicContact CG-CG 3.54Å; P634-H669 VanDerWaalsContact O-CB 3.23Å; P634-H669 WeakPolarHBondContact O-CB 3.49Å; P634-H669 PolarHBondContact O-N 2.91Å; P634-Y671 HydrophobicContact CB-CD1 4.12Å; P634-Y671 HydrophobicContact CB-CG 4.37Å; P634-Y671 HydrophobicContact CG-CD1 3.65Å; P634-Y671 HydrophobicContact CG-CE1 4.11Å; P634-Y671 HydrophobicContact CG-CG 4Å
635	L	95.4	Very high	95.9	Very high	26 Å²	26	21.5 Å²	21.5	14%	0.136	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-86.2	159.2	167.3	-66.3	168.6	0	0	0	109.1	R589 N637 T638 C639	R589-L635 HydrophobicContact CB-CD2 4.13Å; R589-L635 HydrophobicContact CB-CG 4.37Å; R589-L635 HydrophobicContact CG-CD2 4.23Å; L635-N637 WeakPolarHBondContact CB-OD1 3.33Å; L635-N637 PolarHBondContact O-N 2.93Å; L635-T638 HydrophobicContact CB-CG2 4.15Å; L635-T638 HydrophobicContact CD1-CG2 4.31Å; L635-T638 PolarHBondContact N-OG1 2.75Å; L635-T638 CarbonylContact O-C 3.57Å; L635-T638 PolarHBondContact O-N 2.7Å; L635-T638 PolarHBondContact O-OG1 2.71Å; L635-C639 PolarHBondContact O-N 3.48Å; L635-C639 PolarHBondContact O-SG 2.92Å
636	P	94.3	Very high	96.2	Very high	87 Å²	87	19.1 Å²	19.1	57%	0.565	10%	0.101	S	C	*	.	G	3₁₀ helix	trans	-54.8	-37	179.2	-24.3	33.3	0	0	0	113.7	H669	P636-H669 HydrophobicContact CG-CB 4.38Å
637	N	93.8	Very high	96.4	Very high	89 Å²	89	19.8 Å²	19.8	48%	0.476	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-79.1	-12	176.9	61.7	-40.3	0	0	0	114.4	S586 L635	S586-N637 PolarHBondContact O-ND2 3.33Å; S586-N637 VanDerWaalsContact O-ND2 3.16Å; L635-N637 WeakPolarHBondContact CB-OD1 3.33Å; L635-N637 PolarHBondContact O-N 2.93Å
638	T	95.9	Very high	96.3	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.031	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-114	10.7	-178.2	76.6	0	0	0	0	113.2	K587 L635 D641 F642	K587-T638 HydrophobicContact CB-CG2 4.01Å; K587-T638 HydrophobicContact CG-CG2 4.12Å; L635-T638 HydrophobicContact CB-CG2 4.15Å; L635-T638 HydrophobicContact CD1-CG2 4.31Å; L635-T638 PolarHBondContact N-OG1 2.75Å; L635-T638 CarbonylContact O-C 3.57Å; L635-T638 PolarHBondContact O-N 2.7Å; L635-T638 PolarHBondContact O-OG1 2.71Å; T638-D641 PolarHBondContact O-N 3.25Å; T638-F642 PolarHBondContact O-N 2.8Å
639	C	96.3	Very high	96.2	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-41.6	173.9	-69.3	0	0	0	0	113.4	L635 D641 F642 W643 Y681	L635-C639 PolarHBondContact O-N 3.48Å; L635-C639 PolarHBondContact O-SG 2.92Å; C639-D641 VanDerWaalsContact C-N 3.34Å; C639-D641 PolarHBondContact O-N 3.2Å; C639-F642 PolarHBondContact O-N 2.83Å; C639-W643 VanDerWaalsContact O-CD1 3.26Å; C639-W643 PolarHBondContact O-N 3.46Å; C639-W643 VanDerWaalsContact O-N 3.16Å; C639-Y681 HydrophobicContact CB-CD1 3.83Å; C639-Y681 HydrophobicContact CB-CE1 4.25Å
640	P	95.2	Very high	95.9	Very high	39 Å²	39	21.5 Å²	21.5	25%	0.253	12%	0.12	S	C	.	.	H	α-helix	trans	-61.3	-42.5	172.8	-23	35.1	0	0	0	112.2	F642 W643 R644	P640-F642 VanDerWaalsContact C-N 3.32Å; P640-F642 PolarHBondContact O-N 2.84Å; P640-W643 PolarHBondContact O-N 3.44Å; P640-R644 WeakPolarHBondContact O-CB 3.48Å; P640-R644 PolarHBondContact O-N 3.47Å
641	D	96	Very high	95.8	Very high	14 Å²	14	21.8 Å²	21.8	8%	0.075	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-39.9	177	-67.1	-11.9	0	0	0	112	K587 L603 I610 T638 C639 R644 M645	K587-D641 WeakPolarHBondContact CE-OD2 3.38Å; K587-D641 IonicContact NZ-OD1 3.42Å; K587-D641 IonicContact NZ-OD2 3.91Å; K587-D641 PolarHBondContact NZ-OD2 3.35Å; L603-D641 HydrophobicContact CD1-CB 3.81Å; I610-D641 HydrophobicContact CD1-CB 4.16Å; T638-D641 PolarHBondContact O-N 3.25Å; C639-D641 VanDerWaalsContact C-N 3.34Å; C639-D641 PolarHBondContact O-N 3.2Å; D641-R644 PolarHBondContact O-N 2.9Å; D641-M645 WeakPolarHBondContact O-CB 3.48Å; D641-M645 PolarHBondContact O-N 2.77Å
642	F	97.4	Very high	95.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-42.7	177.1	177.7	-90.2	0	0	0	113	I610 P634 T638 C639 P640 M645 T646 V654 Y671 V754	I610-F642 HydrophobicContact CD1-CB 4.49Å; P634-F642 HydrophobicContact CB-CB 4.39Å; P634-F642 HydrophobicContact CG-CB 3.84Å; P634-F642 HydrophobicContact CG-CD1 4.16Å; P634-F642 HydrophobicContact CG-CD2 3.49Å; P634-F642 VanDerWaalsContact CG-CD2 3.49Å; P634-F642 HydrophobicContact CG-CE2 4.07Å; P634-F642 HydrophobicContact CG-CG 3.54Å; T638-F642 PolarHBondContact O-N 2.8Å; C639-F642 PolarHBondContact O-N 2.83Å; P640-F642 VanDerWaalsContact C-N 3.32Å; P640-F642 PolarHBondContact O-N 2.84Å; F642-M645 HydrophobicContact CD2-CE 3.89Å; F642-M645 HydrophobicContact CE2-CE 3.94Å; F642-M645 WeakPolarHBondContact O-CB 3.5Å; F642-T646 WeakPolarHBondContact O-CB 3.49Å; F642-T646 PolarHBondContact O-N 3.49Å; F642-T646 PolarHBondContact O-OG1 2.71Å; F642-V654 HydrophobicContact CE1-CG2 4.47Å; F642-V654 HydrophobicContact CZ-CG1 3.9Å; F642-V654 HydrophobicContact CZ-CG2 4.14Å; F642-Y671 AromaticContact CD1-CD2 3.84Å; F642-Y671 HydrophobicContact CD1-CD2 3.84Å; F642-Y671 HydrophobicContact CD1-CE2 4.04Å; F642-Y671 HydrophobicContact CD1-CG 4.41Å; F642-Y671 AromaticContact CE1-CD2 3.64Å; F642-Y671 HydrophobicContact CE1-CD2 3.64Å; F642-Y671 AromaticContact CE1-CE2 3.35Å; F642-Y671 HydrophobicContact CE1-CE2 3.35Å; F642-Y671 HydrophobicContact CE1-CG 4.47Å; F642-Y671 AromaticContact CE1-CZ 3.95Å; F642-Y671 HydrophobicContact CZ-CD2 4.47Å; F642-Y671 AromaticContact CZ-CE2 3.87Å; F642-Y671 HydrophobicContact CZ-CE2 3.87Å; F642-V754 HydrophobicContact CE2-CG1 3.77Å; F642-V754 HydrophobicContact CZ-CG1 3.94Å
643	W	96.1	Very high	95.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-72.4	-35.1	176.6	-70.9	119.3	0	0	0	112.1	C639 P640 T646 W647 Y671 W672 Y681 F684 V686 M702 I704 L715	C639-W643 VanDerWaalsContact O-CD1 3.26Å; C639-W643 PolarHBondContact O-N 3.46Å; C639-W643 VanDerWaalsContact O-N 3.16Å; P640-W643 PolarHBondContact O-N 3.44Å; W643-T646 HydrophobicContact CE3-CG2 4.38Å; W643-T646 HydrophobicContact CZ3-CG2 4.46Å; W643-T646 PolarHBondContact O-N 3.07Å; W643-W647 WeakPolarHBondContact O-CB 3.42Å; W643-W647 PolarHBondContact O-N 3.34Å; W643-Y671 AromaticContact CE2-CD2 3.86Å; W643-Y671 VanDerWaalsContact CE2-O 3.31Å; W643-Y671 HydrophobicContact CH2-CD2 4.2Å; W643-Y671 HydrophobicContact CH2-CE2 4.15Å; W643-Y671 AromaticContact CZ2-CD2 3.51Å; W643-Y671 HydrophobicContact CZ2-CD2 3.51Å; W643-Y671 AromaticContact CZ2-CE2 3.92Å; W643-Y671 HydrophobicContact CZ2-CE2 3.92Å; W643-Y671 VanDerWaalsContact CZ2-O 3.28Å; W643-Y671 WeakPolarHBondContact CZ2-O 3.44Å; W643-Y671 PolarHBondContact NE1-O 3.33Å; W643-W672 HydrophobicContact CZ2-CB 4.49Å; W643-Y681 AromaticContact CD1-CD2 3.51Å; W643-Y681 AromaticContact CD1-CG 3.51Å; W643-Y681 AromaticContact NE1-CD2 3.39Å; W643-Y681 AromaticContact NE1-CE2 3.65Å; W643-Y681 AromaticContact NE1-CG 3.74Å; W643-F684 HydrophobicContact CB-CB 4.29Å; W643-F684 HydrophobicContact CB-CD2 4.19Å; W643-F684 HydrophobicContact CB-CG 4.34Å; W643-V686 HydrophobicContact CD2-CG2 3.76Å; W643-V686 HydrophobicContact CE3-CG2 4.16Å; W643-V686 HydrophobicContact CG-CG2 4.16Å; W643-V686 HydrophobicContact CH2-CG1 3.98Å; W643-V686 HydrophobicContact CH2-CG2 4.31Å; W643-V686 HydrophobicContact CZ2-CB 4.39Å; W643-V686 HydrophobicContact CZ2-CG1 3.87Å; W643-V686 HydrophobicContact CZ2-CG2 3.92Å; W643-V686 HydrophobicContact CZ3-CG2 4.42Å; W643-M702 HydrophobicContact CH2-SD 4.14Å; W643-I704 HydrophobicContact CE3-CD1 3.66Å; W643-I704 HydrophobicContact CE3-CG1 4.04Å; W643-I704 HydrophobicContact CZ3-CD1 3.65Å; W643-I704 HydrophobicContact CZ3-CG1 3.91Å; W643-L715 HydrophobicContact CZ3-CD1 4.38Å; W643-L715 HydrophobicContact CZ3-CD2 4.48Å
644	R	95.3	Very high	95.5	Very high	42 Å²	42	23 Å²	23	16%	0.158	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-48.9	170.4	-174.2	171.9	-70.3	140.8	-3.2	111.6	L603 S605 P640 D641 T646 W647 E648 D683 F684	L603-R644 HydrophobicContact CD2-CG 4.43Å; S605-R644 VanDerWaalsContact CB-NH1 3.26Å; S605-R644 PolarHBondContact OG-NH1 3.47Å; P640-R644 WeakPolarHBondContact O-CB 3.48Å; P640-R644 PolarHBondContact O-N 3.47Å; D641-R644 PolarHBondContact O-N 2.9Å; R644-T646 PolarHBondContact O-N 3.06Å; R644-W647 PolarHBondContact O-N 3.45Å; R644-E648 WeakPolarHBondContact CD-OE1 3.35Å; R644-E648 HydrophobicContact CG-CG 4.26Å; R644-E648 WeakPolarHBondContact CG-OE1 3.29Å; R644-E648 WeakPolarHBondContact O-CB 3.17Å; R644-E648 WeakPolarHBondContact O-CG 3.3Å; R644-E648 PolarHBondContact O-N 3.15Å; R644-D683 IonicContact CZ-OD2 3.63Å; R644-D683 IonicContact NH2-OD2 3.66Å; R644-D683 PolarHBondContact NH2-OD2 2.93Å; R644-F684 VanDerWaalsContact CA-CE2 3.47Å; R644-F684 HydrophobicContact CB-CE2 3.69Å; R644-F684 HydrophobicContact CB-CZ 4.3Å; R644-F684 HydrophobicContact CG-CE2 4.15Å; R644-F684 HydrophobicContact CG-CZ 4.41Å
645	M	96.5	Very high	95.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53.7	-54.4	173.4	-176.1	-170.7	71.9	0	0	111.4	V601 L603 I610 A612 I629 D641 F642 W647 E648 Q649 V754	V601-M645 HydrophobicContact CG1-CG 3.89Å; V601-M645 HydrophobicContact CG2-SD 4.46Å; L603-M645 HydrophobicContact CD2-CB 3.88Å; I610-M645 HydrophobicContact CD1-CB 4.12Å; I610-M645 HydrophobicContact CD1-SD 3.84Å; I610-M645 HydrophobicContact CG2-SD 4.31Å; A612-M645 HydrophobicContact CB-SD 3.63Å; I629-M645 HydrophobicContact CG2-CE 3.92Å; I629-M645 HydrophobicContact CG2-SD 3.61Å; D641-M645 WeakPolarHBondContact O-CB 3.48Å; D641-M645 PolarHBondContact O-N 2.77Å; F642-M645 HydrophobicContact CD2-CE 3.89Å; F642-M645 HydrophobicContact CE2-CE 3.94Å; F642-M645 WeakPolarHBondContact O-CB 3.5Å; M645-W647 VanDerWaalsContact C-N 3.29Å; M645-W647 PolarHBondContact O-N 3.03Å; M645-E648 PolarHBondContact O-N 2.85Å; M645-Q649 HydrophobicContact CG-CG 4.48Å; M645-Q649 WeakPolarHBondContact O-CB 3.41Å; M645-Q649 VanDerWaalsContact O-CG 3.24Å; M645-Q649 WeakPolarHBondContact O-CG 3.24Å; M645-Q649 PolarHBondContact O-N 3.03Å; M645-V754 HydrophobicContact CE-CG1 3.81Å; M645-V754 HydrophobicContact CE-CG2 3.99Å
646	T	96.3	Very high	95.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-40.7	-178.7	-55.7	0	0	0	0	111.9	F642 W643 R644 G650 S651 V654 I704 L715	F642-T646 WeakPolarHBondContact O-CB 3.49Å; F642-T646 PolarHBondContact O-N 3.49Å; F642-T646 PolarHBondContact O-OG1 2.71Å; W643-T646 HydrophobicContact CE3-CG2 4.38Å; W643-T646 HydrophobicContact CZ3-CG2 4.46Å; W643-T646 PolarHBondContact O-N 3.07Å; R644-T646 PolarHBondContact O-N 3.06Å; T646-G650 PolarHBondContact O-N 2.68Å; T646-S651 PolarHBondContact O-N 3.22Å; T646-S651 VanDerWaalsContact O-N 3.13Å; T646-V654 HydrophobicContact CG2-CG2 4.34Å; T646-I704 HydrophobicContact CG2-CD1 3.85Å; T646-L715 HydrophobicContact CG2-CD1 3.41Å; T646-L715 VanDerWaalsContact CG2-CD1 3.41Å
647	W	95.1	Very high	95.7	Very high	23 Å²	23	17.5 Å²	17.5	9%	0.087	10%	0.097	C	C	.	.	H	α-helix	trans	-70.6	-48.2	176.9	-177.7	-92.7	0	0	0	113.5	W643 R644 M645 Q649 G650 F684 I704 N706 Q711 R713	W643-W647 WeakPolarHBondContact O-CB 3.42Å; W643-W647 PolarHBondContact O-N 3.34Å; R644-W647 PolarHBondContact O-N 3.45Å; M645-W647 VanDerWaalsContact C-N 3.29Å; M645-W647 PolarHBondContact O-N 3.03Å; W647-Q649 VanDerWaalsContact C-N 3.3Å; W647-Q649 PolarHBondContact O-N 3.18Å; W647-G650 PolarHBondContact O-N 2.99Å; W647-F684 HydrophobicContact CB-CD1 4.23Å; W647-F684 HydrophobicContact CB-CE1 3.56Å; W647-F684 HydrophobicContact CB-CZ 3.93Å; W647-F684 AromaticContact CD1-CE1 3.66Å; W647-F684 HydrophobicContact CD2-CD1 4.31Å; W647-F684 AromaticContact CD2-CE1 3.79Å; W647-F684 HydrophobicContact CD2-CE1 3.79Å; W647-F684 HydrophobicContact CE3-CD1 4.49Å; W647-F684 HydrophobicContact CE3-CE1 4.4Å; W647-F684 HydrophobicContact CG-CD1 4.19Å; W647-F684 AromaticContact CG-CE1 3.36Å; W647-F684 HydrophobicContact CG-CE1 3.36Å; W647-F684 HydrophobicContact CG-CZ 4Å; W647-I704 HydrophobicContact CE3-CB 4.26Å; W647-I704 HydrophobicContact CE3-CG2 3.81Å; W647-I704 HydrophobicContact CZ3-CB 4.44Å; W647-I704 HydrophobicContact CZ3-CG2 4.27Å; W647-I704 WeakPolarHBondContact CZ3-O 3.45Å; W647-N706 HydrophobicContact CD2-CB 4.45Å; W647-N706 HydrophobicContact CH2-CB 3.91Å; W647-N706 HydrophobicContact CZ2-CB 3.63Å; W647-N706 HydrophobicContact CZ3-CB 4.42Å; W647-Q711 HydrophobicContact CH2-CB 3.72Å; W647-Q711 WeakPolarHBondContact CH2-O 3.1Å; W647-Q711 HydrophobicContact CZ2-CB 3.92Å; W647-R713 HydrophobicContact CE3-CG 4.34Å; W647-R713 HydrophobicContact CH2-CG 3.84Å; W647-R713 HydrophobicContact CZ3-CB 3.94Å; W647-R713 HydrophobicContact CZ3-CG 3.58Å; W647-R713 PolarHBondContact O-NH1 3.31Å
648	E	94.4	Very high	95.6	Very high	44 Å²	44	13.3 Å²	13.3	21%	0.206	7%	0.074	C	C	.	.	H	α-helix	trans	-63.6	-35.8	-178.1	-76.4	179.1	-160.7	0	0	112.4	K604 R644 M645 G650	K604-E648 WeakPolarHBondContact CB-OE1 3.43Å; K604-E648 PolarHBondContact N-OE1 2.97Å; K604-E648 VanDerWaalsContact N-OE1 3.09Å; K604-E648 PolarHBondContact N-OE2 3.44Å; R644-E648 WeakPolarHBondContact CD-OE1 3.35Å; R644-E648 HydrophobicContact CG-CG 4.26Å; R644-E648 WeakPolarHBondContact CG-OE1 3.29Å; R644-E648 WeakPolarHBondContact O-CB 3.17Å; R644-E648 WeakPolarHBondContact O-CG 3.3Å; R644-E648 PolarHBondContact O-N 3.15Å; M645-E648 PolarHBondContact O-N 2.85Å; E648-G650 VanDerWaalsContact C-N 3.35Å
649	Q	94.6	Very high	95.5	Very high	39 Å²	39	15 Å²	15	18%	0.182	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.4	-178.4	-56.3	-53.8	-41.5	0	0	113.8	V601 Y614 I629 M645 W647 S651 P752	V601-Q649 HydrophobicContact CG1-CG 4.19Å; Y614-Q649 PolarHBondContact OH-NE2 3.02Å; Y614-Q649 VanDerWaalsContact OH-NE2 3.17Å; Y614-Q649 PolarHBondContact OH-OE1 2.89Å; I629-Q649 HydrophobicContact CD1-CB 3.65Å; I629-Q649 HydrophobicContact CD1-CG 3.68Å; M645-Q649 HydrophobicContact CG-CG 4.48Å; M645-Q649 WeakPolarHBondContact O-CB 3.41Å; M645-Q649 VanDerWaalsContact O-CG 3.24Å; M645-Q649 WeakPolarHBondContact O-CG 3.24Å; M645-Q649 PolarHBondContact O-N 3.03Å; W647-Q649 VanDerWaalsContact C-N 3.3Å; W647-Q649 PolarHBondContact O-N 3.18Å; Q649-S651 PolarHBondContact O-N 2.81Å; Q649-P752 HydrophobicContact CB-CG 4.12Å
650	G	93.5	Very high	95.2	Very high	23 Å²	23	18 Å²	18	24%	0.237	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	17.9	177.2	0	0	0	0	0	114.6	T646 W647 E648 S652	T646-G650 PolarHBondContact O-N 2.68Å; W647-G650 PolarHBondContact O-N 2.99Å; E648-G650 VanDerWaalsContact C-N 3.35Å; G650-S652 PolarHBondContact O-N 3.14Å
651	S	95	Very high	94.9	Very high	7 Å²	7	19.6 Å²	19.6	5%	0.049	11%	0.107	C	C	.	.			trans	-70.5	110.8	-174.5	-62.7	0	0	0	0	111.9	T646 Q649 M653 L715 P752	T646-S651 PolarHBondContact O-N 3.22Å; T646-S651 VanDerWaalsContact O-N 3.13Å; Q649-S651 PolarHBondContact O-N 2.81Å; S651-M653 VanDerWaalsContact C-N 3.35Å; S651-L715 VanDerWaalsContact O-CD1 3.3Å; S651-L715 WeakPolarHBondContact O-CD1 3.4Å; S651-P752 VanDerWaalsContact CB-O 3.31Å; S651-P752 WeakPolarHBondContact CB-O 3.16Å; S651-P752 PolarHBondContact OG-O 3.46Å
652	S	93.9	Very high	94.3	Very high	31 Å²	31	19.2 Å²	19.2	22%	0.217	11%	0.105	C	C	.	.			trans	-83	-5.2	174	35	0	0	0	0	114.1	G650 L715 T716 Q749	G650-S652 PolarHBondContact O-N 3.14Å; S652-L715 WeakPolarHBondContact O-CA 3.39Å; S652-T716 PolarHBondContact O-N 3.39Å; S652-Q749 VanDerWaalsContact OG-CD 3.29Å; S652-Q749 PolarHBondContact OG-OE1 3.07Å
653	M	95.4	Very high	93.4	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.025	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.6	179.4	-159.2	-171.3	-46.1	0	0	113.7	S651 V655 T716 L718 K745 R746 M753 V754	S651-M653 VanDerWaalsContact C-N 3.35Å; M653-V655 HydrophobicContact SD-CG2 4.12Å; M653-T716 VanDerWaalsContact CA-O 3.3Å; M653-T716 WeakPolarHBondContact CA-O 3.42Å; M653-T716 WeakPolarHBondContact CG-O 3.29Å; M653-L718 HydrophobicContact SD-CD1 3.58Å; M653-L718 VanDerWaalsContact SD-CD1 3.58Å; M653-L718 HydrophobicContact SD-CG 4.32Å; M653-K745 HydrophobicContact CE-CB 3.45Å; M653-K745 VanDerWaalsContact CE-CB 3.45Å; M653-K745 WeakPolarHBondContact CE-O 3.5Å; M653-K745 HydrophobicContact SD-CB 4.33Å; M653-R746 HydrophobicContact CE-CB 4.35Å; M653-M753 HydrophobicContact CB-CG 4.39Å; M653-M753 HydrophobicContact CE-CE 3.9Å; M653-M753 HydrophobicContact SD-CE 3.66Å; M653-M753 HydrophobicContact SD-SD 4.33Å; M653-V754 PolarHBondContact O-N 3.29Å; M653-V754 VanDerWaalsContact O-N 3.08Å
654	V	98	Very high	92.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.5	173.1	176.2	0	0	0	0	109.9	F642 T646 Y671 L715 T716 Q717 L718 V754	F642-V654 HydrophobicContact CE1-CG2 4.47Å; F642-V654 HydrophobicContact CZ-CG1 3.9Å; F642-V654 HydrophobicContact CZ-CG2 4.14Å; T646-V654 HydrophobicContact CG2-CG2 4.34Å; V654-Y671 VanDerWaalsContact CG1-OH 3.24Å; V654-Y671 WeakPolarHBondContact CG1-OH 3.42Å; V654-L715 HydrophobicContact CB-CD2 4.36Å; V654-L715 HydrophobicContact CG2-CD1 3.82Å; V654-L715 HydrophobicContact CG2-CD2 4.01Å; V654-L715 HydrophobicContact CG2-CG 4.42Å; V654-T716 PolarHBondContact N-O 3.26Å; V654-Q717 HydrophobicContact CB-CG 4.22Å; V654-Q717 HydrophobicContact CG1-CG 4.22Å; V654-Q717 CarbonylContact O-C 3.59Å; V654-Q717 VanDerWaalsContact O-CA 3.28Å; V654-Q717 WeakPolarHBondContact O-CA 3.34Å; V654-L718 PolarHBondContact O-N 2.92Å; V654-V754 CarbonylContact C-O 3.52Å; V654-V754 WeakPolarHBondContact CA-O 3.49Å; V654-V754 HydrophobicContact CG1-CG1 4.38Å; V654-V754 HydrophobicContact CG2-CB 4.03Å; V654-V754 HydrophobicContact CG2-CG1 4.41Å
655	V	97.9	Very high	91.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.3	176	-175.6	0	0	0	0	110.7	M653 L657 L718 F738 V742 M753 V754 V755 H756 L767	M653-V655 HydrophobicContact SD-CG2 4.12Å; V655-L657 HydrophobicContact CG1-CD2 4.03Å; V655-L657 HydrophobicContact CG1-CG 4.22Å; V655-L718 CarbonylContact C-O 3.57Å; V655-L718 WeakPolarHBondContact CA-O 3.33Å; V655-L718 HydrophobicContact CG2-CB 4.38Å; V655-L718 HydrophobicContact CG2-CD1 4.47Å; V655-F738 HydrophobicContact CG1-CE1 3.78Å; V655-F738 HydrophobicContact CG1-CZ 3.79Å; V655-V742 HydrophobicContact CG1-CG2 4.37Å; V655-V742 HydrophobicContact CG2-CG1 4.23Å; V655-V742 HydrophobicContact CG2-CG2 4.15Å; V655-M753 HydrophobicContact CG2-CG 4.09Å; V655-M753 HydrophobicContact CG2-SD 3.53Å; V655-M753 VanDerWaalsContact CG2-SD 3.53Å; V655-V754 PolarHBondContact N-O 2.84Å; V655-V755 HydrophobicContact CB-CG1 4.29Å; V655-V755 HydrophobicContact CB-CG2 4.29Å; V655-V755 WeakPolarHBondContact O-CA 3.22Å; V655-H756 PolarHBondContact O-N 2.78Å; V655-L767 HydrophobicContact CB-CD2 4.23Å; V655-L767 HydrophobicContact CG1-CD2 3.57Å
656	M	97.5	Very high	91.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.4	-177.4	177.7	166.9	-176.2	0	0	110.8	T658 C668 Y671 W672 L718 Q719 Y720 H756	M656-T658 HydrophobicContact CE-CG2 3.73Å; M656-T658 WeakPolarHBondContact CE-O 2.78Å; M656-T658 HydrophobicContact CG-CG2 4.16Å; M656-T658 PolarHBondContact O-N 3Å; M656-C668 HydrophobicContact CE-CB 3.57Å; M656-Y671 HydrophobicContact SD-CE1 4.24Å; M656-W672 HydrophobicContact CE-CH2 3.8Å; M656-W672 HydrophobicContact CE-CZ3 3.95Å; M656-W672 HydrophobicContact SD-CH2 3.65Å; M656-W672 HydrophobicContact SD-CZ3 3.6Å; M656-L718 PolarHBondContact N-O 2.88Å; M656-Q719 HydrophobicContact CB-CB 4.2Å; M656-Q719 HydrophobicContact CB-CG 4.14Å; M656-Q719 HydrophobicContact CG-CG 3.94Å; M656-Q719 CarbonylContact O-C 3.56Å; M656-Q719 VanDerWaalsContact O-CA 3.3Å; M656-Q719 WeakPolarHBondContact O-CA 3.07Å; M656-Q719 HydrophobicContact SD-CG 4.17Å; M656-Y720 PolarHBondContact O-N 2.73Å; M656-H756 WeakPolarHBondContact CB-NE2 3.35Å; M656-H756 WeakPolarHBondContact CG-CE1 3.47Å
657	L	95.8	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.			trans	-98.7	44.5	-176.9	-58.3	169.9	0	0	0	112	V655 F738 V755 H756 C757 R763 L767	V655-L657 HydrophobicContact CG1-CD2 4.03Å; V655-L657 HydrophobicContact CG1-CG 4.22Å; L657-F738 HydrophobicContact CD2-CD1 4.47Å; L657-F738 HydrophobicContact CD2-CE1 3.71Å; L657-F738 HydrophobicContact CD2-CZ 4.42Å; L657-V755 HydrophobicContact CD1-CG1 4.03Å; L657-H756 PolarHBondContact N-O 3.39Å; L657-C757 HydrophobicContact CB-CB 4.12Å; L657-R763 HydrophobicContact CB-CB 3.93Å; L657-R763 HydrophobicContact CD1-CB 4.23Å; L657-R763 WeakPolarHBondContact CD1-O 3.34Å; L657-R763 VanDerWaalsContact O-CD 3.23Å; L657-R763 WeakPolarHBondContact O-CD 3.43Å; L657-R763 VanDerWaalsContact O-CZ 3.22Å; L657-R763 PolarHBondContact O-NE 3.26Å; L657-R763 VanDerWaalsContact O-NE 3.11Å; L657-R763 PolarHBondContact O-NH1 2.91Å; L657-L767 HydrophobicContact CD1-CB 3.73Å; L657-L767 HydrophobicContact CD1-CD2 3.95Å; L657-L767 HydrophobicContact CD1-CG 4.47Å; L657-L767 HydrophobicContact CD2-CD2 4.3Å; L657-L767 HydrophobicContact CG-CD2 4.46Å
658	T	92.4	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-161.2	152.4	-178.1	-164	0	0	0	0	111.1	M656 E662 C668 Q719 R763	M656-T658 HydrophobicContact CE-CG2 3.73Å; M656-T658 WeakPolarHBondContact CE-O 2.78Å; M656-T658 HydrophobicContact CG-CG2 4.16Å; M656-T658 PolarHBondContact O-N 3Å; T658-E662 PolarHBondContact OG1-OE1 2.9Å; T658-E662 VanDerWaalsContact OG1-OE1 3.05Å; T658-C668 HydrophobicContact CG2-CB 3.95Å; T658-Q719 PolarHBondContact O-NE2 3.41Å; T658-R763 PolarHBondContact OG1-NH2 3.09Å
659	T	92.3	Very high	91.5	Very high	40 Å²	40	42.3 Å²	42.3	25%	0.245	23%	0.226	C	C	.	.			trans	-77.3	166	161.2	60.3	0	0	0	0	109.7	V661 E662 L721	T659-V661 VanDerWaalsContact C-N 3.35Å; T659-V661 PolarHBondContact OG1-O 3.45Å; T659-E662 VanDerWaalsContact OG1-CG 3.23Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; T659-L721 HydrophobicContact CG2-CD2 4.09Å
660	Q	90.8	Very high	91.5	Very high	66 Å²	66	43 Å²	43	31%	0.308	23%	0.229	S	C	.	.	S	Bend	trans	-66.4	-38.2	176.7	-60.2	-175.9	18.4	0	0	112	K667 C668 W672	Q660-K667 PolarHBondContact O-N 2.86Å; Q660-C668 PolarHBondContact O-N 3.04Å; Q660-W672 HydrophobicContact CG-CH2 4.07Å
661	V	88.3	Confident	91.7	Very high	74 Å²	74	42 Å²	42	45%	0.448	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.7	-176.3	-179.6	0	0	0	0	109.5	T659 R665 V666	T659-V661 VanDerWaalsContact C-N 3.35Å; T659-V661 PolarHBondContact OG1-O 3.45Å; V661-R665 WeakPolarHBondContact CA-O 3.4Å; V661-V666 HydrophobicContact CG2-CG2 4.33Å
662	E	83.8	Confident	91.7	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.2	173.3	-67.4	175.7	-179	0	0	106.9	T658 T659 G664 R665 K667 D725 R763	T658-E662 PolarHBondContact OG1-OE1 2.9Å; T658-E662 VanDerWaalsContact OG1-OE1 3.05Å; T659-E662 VanDerWaalsContact OG1-CG 3.23Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; E662-G664 VanDerWaalsContact C-N 3.34Å; E662-G664 PolarHBondContact O-N 2.85Å; E662-R665 PolarHBondContact N-O 2.91Å; E662-R665 WeakPolarHBondContact O-CB 3.49Å; E662-R665 PolarHBondContact O-N 2.79Å; E662-K667 HydrophobicContact CB-CD 4.44Å; E662-K667 HydrophobicContact CB-CG 3.72Å; E662-K667 HydrophobicContact CG-CG 3.72Å; E662-K667 WeakPolarHBondContact OE2-CE 3.22Å; E662-K667 WeakPolarHBondContact OE2-CG 3.38Å; E662-K667 IonicContact OE2-NZ 2.74Å; E662-K667 PolarHBondContact OE2-NZ 3Å; E662-D725 VanDerWaalsContact CB-OD1 3.25Å; E662-D725 WeakPolarHBondContact CB-OD1 3.43Å; E662-D725 VanDerWaalsContact CG-OD1 3.25Å; E662-D725 WeakPolarHBondContact CG-OD1 3.4Å; E662-R763 IonicContact OE1-CZ 2.95Å; E662-R763 IonicContact OE1-NH1 3.31Å; E662-R763 PolarHBondContact OE1-NH1 3.09Å; E662-R763 IonicContact OE1-NH2 3.19Å; E662-R763 PolarHBondContact OE1-NH2 2.84Å; E662-R763 IonicContact OE2-NH2 2.68Å; E662-R763 PolarHBondContact OE2-NH2 2.96Å
663	R	77.4	Confident	91.8	Very high	130 Å²	130	40.8 Å²	40.8	49%	0.491	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	38.9	179.6	-47.7	-171.8	168.4	-160.3	-3.5	115.3	R665 D725 H726	R663-R665 PolarHBondContact O-N 3.13Å; R663-D725 HydrophobicContact CG-CB 4.29Å; R663-D725 WeakPolarHBondContact CG-OD2 3.29Å; R663-D725 IonicContact CZ-OD2 2.67Å; R663-D725 VanDerWaalsContact NE-CB 3.29Å; R663-D725 IonicContact NE-OD2 3.26Å; R663-D725 PolarHBondContact NE-OD2 2.63Å; R663-H726 VanDerWaalsContact CZ-CE1 3.47Å; R663-H726 PolarHBondContact NH1-CE1 3.29Å; R663-H726 PolarHBondContact NH1-NE2 3.03Å; R663-H726 PolarHBondContact NH2-CD2 2.65Å; R663-H726 VanDerWaalsContact NH2-CG 3.34Å; R663-H726 PolarHBondContact NH2-NE2 3.28Å; R663-H726 VanDerWaalsContact NH2-NE2 3.18Å
664	G	79	Confident	91.6	Very high	69 Å²	69	45.2 Å²	45.2	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	2.4	-175.5	0	0	0	0	0	114.6	E662	E662-G664 VanDerWaalsContact C-N 3.34Å; E662-G664 PolarHBondContact O-N 2.85Å
665	R	82.5	Confident	91.3	Very high	191 Å²	191	47.7 Å²	47.7	72%	0.721	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.9	171.6	-62.9	-174	178.2	-170.7	-1	109.8	V661 E662 R663 K667	V661-R665 WeakPolarHBondContact CA-O 3.4Å; E662-R665 PolarHBondContact N-O 2.91Å; E662-R665 WeakPolarHBondContact O-CB 3.49Å; E662-R665 PolarHBondContact O-N 2.79Å; R663-R665 PolarHBondContact O-N 3.13Å; R665-K667 PolarHBondContact O-N 2.83Å
666	V	89.2	Confident	90.9	Very high	88 Å²	88	54.9 Å²	54.9	53%	0.533	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.1	177.8	-178.3	0	0	0	0	110.1	R589 V661	R589-V666 PolarHBondContact NH1-O 2.88Å; V661-V666 HydrophobicContact CG2-CG2 4.33Å
667	K	92.4	Very high	90.7	Very high	46 Å²	46	57 Å²	57	20%	0.2	30%	0.301	C	S	.	.	S	Bend	trans	-98.9	-32.7	179.8	-67.4	-68.2	176.4	104.8	0	112.6	R589 Q660 E662 R665 S758	R589-K667 PolarHBondContact NE-O 2.9Å; R589-K667 PolarHBondContact NH1-O 3.09Å; Q660-K667 PolarHBondContact O-N 2.86Å; E662-K667 HydrophobicContact CB-CD 4.44Å; E662-K667 HydrophobicContact CB-CG 3.72Å; E662-K667 HydrophobicContact CG-CG 3.72Å; E662-K667 WeakPolarHBondContact OE2-CE 3.22Å; E662-K667 WeakPolarHBondContact OE2-CG 3.38Å; E662-K667 IonicContact OE2-NZ 2.74Å; E662-K667 PolarHBondContact OE2-NZ 3Å; R665-K667 PolarHBondContact O-N 2.83Å; K667-S758 PolarHBondContact O-OG 3.49Å
668	C	95.9	Very high	90.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-145.2	139.3	173.6	-169.3	0	0	0	0	108.6	M656 T658 Q660	M656-C668 HydrophobicContact CE-CB 3.57Å; T658-C668 HydrophobicContact CG2-CB 3.95Å; Q660-C668 PolarHBondContact O-N 3.04Å
669	H	95.1	Very high	90.8	Very high	74 Å²	74	60.9 Å²	60.9	34%	0.343	33%	0.331	S	S	.	.			trans	-72.8	152	166.1	-169.8	63.4	0	0	0	109.4	P634 P636 Y671	P634-H669 VanDerWaalsContact O-CB 3.23Å; P634-H669 WeakPolarHBondContact O-CB 3.49Å; P634-H669 PolarHBondContact O-N 2.91Å; P636-H669 HydrophobicContact CG-CB 4.38Å; H669-Y671 WeakPolarHBondContact O-CD1 3.49Å; H669-Y671 PolarHBondContact O-N 3.22Å; H669-Y671 VanDerWaalsContact O-N 3.12Å
670	Q	95.9	Very high	90.9	Very high	53 Å²	53	63.3 Å²	63.3	25%	0.248	35%	0.345	C	S	.	.			trans	-74.1	101.3	169.9	-174.8	169.8	-23.1	0	0	108.8	W672 N674	Q670-W672 HydrophobicContact CG-CD2 3.86Å; Q670-W672 HydrophobicContact CG-CE3 4.11Å; Q670-W672 HydrophobicContact CG-CG 4.37Å; Q670-W672 HydrophobicContact CG-CH2 4.32Å; Q670-W672 HydrophobicContact CG-CZ2 4.1Å; Q670-W672 HydrophobicContact CG-CZ3 4.32Å; Q670-W672 VanDerWaalsContact CG-O 3.31Å; Q670-W672 WeakPolarHBondContact CG-O 3.37Å; Q670-W672 PolarHBondContact NE2-O 2.73Å; Q670-N674 PolarHBondContact NE2-OD1 2.8Å
671	Y	96.3	Very high	91	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	34%	0.337	C	S	.	.			trans	-94.7	8.1	-179	62.6	-94.4	0	0	0	113.2	P634 F642 W643 V654 M656 H669 Y681 Q717 H756	P634-Y671 HydrophobicContact CB-CD1 4.12Å; P634-Y671 HydrophobicContact CB-CG 4.37Å; P634-Y671 HydrophobicContact CG-CD1 3.65Å; P634-Y671 HydrophobicContact CG-CE1 4.11Å; P634-Y671 HydrophobicContact CG-CG 4Å; F642-Y671 AromaticContact CD1-CD2 3.84Å; F642-Y671 HydrophobicContact CD1-CD2 3.84Å; F642-Y671 HydrophobicContact CD1-CE2 4.04Å; F642-Y671 HydrophobicContact CD1-CG 4.41Å; F642-Y671 AromaticContact CE1-CD2 3.64Å; F642-Y671 HydrophobicContact CE1-CD2 3.64Å; F642-Y671 AromaticContact CE1-CE2 3.35Å; F642-Y671 HydrophobicContact CE1-CE2 3.35Å; F642-Y671 HydrophobicContact CE1-CG 4.47Å; F642-Y671 AromaticContact CE1-CZ 3.95Å; F642-Y671 HydrophobicContact CZ-CD2 4.47Å; F642-Y671 AromaticContact CZ-CE2 3.87Å; F642-Y671 HydrophobicContact CZ-CE2 3.87Å; W643-Y671 AromaticContact CE2-CD2 3.86Å; W643-Y671 VanDerWaalsContact CE2-O 3.31Å; W643-Y671 HydrophobicContact CH2-CD2 4.2Å; W643-Y671 HydrophobicContact CH2-CE2 4.15Å; W643-Y671 AromaticContact CZ2-CD2 3.51Å; W643-Y671 HydrophobicContact CZ2-CD2 3.51Å; W643-Y671 AromaticContact CZ2-CE2 3.92Å; W643-Y671 HydrophobicContact CZ2-CE2 3.92Å; W643-Y671 VanDerWaalsContact CZ2-O 3.28Å; W643-Y671 WeakPolarHBondContact CZ2-O 3.44Å; W643-Y671 PolarHBondContact NE1-O 3.33Å; V654-Y671 VanDerWaalsContact CG1-OH 3.24Å; V654-Y671 WeakPolarHBondContact CG1-OH 3.42Å; M656-Y671 HydrophobicContact SD-CE1 4.24Å; H669-Y671 WeakPolarHBondContact O-CD1 3.49Å; H669-Y671 PolarHBondContact O-N 3.22Å; H669-Y671 VanDerWaalsContact O-N 3.12Å; Y671-Y681 VanDerWaalsContact C-OH 3.25Å; Y671-Y681 WeakPolarHBondContact O-CE2 3.42Å; Y671-Y681 PolarHBondContact O-OH 2.89Å; Y671-Q717 VanDerWaalsContact CZ-NE2 3.32Å; Y671-Q717 PolarHBondContact OH-NE2 2.83Å; Y671-H756 AromaticContact CE1-CE1 3.72Å; Y671-H756 AromaticContact CE1-NE2 3.49Å; Y671-H756 WeakPolarHBondContact CE1-NE2 3.44Å; Y671-H756 AromaticContact CZ-NE2 3.52Å; Y671-H756 PolarHBondContact OH-NE2 2.89Å
672	W	95.9	Very high	91.1	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.019	34%	0.338	C	S	.	.	S	Bend	trans	-126.4	148.8	-179.7	66.6	98.1	0	0	0	111.4	W643 M656 Q660 Q670 Y681 M702	W643-W672 HydrophobicContact CZ2-CB 4.49Å; M656-W672 HydrophobicContact CE-CH2 3.8Å; M656-W672 HydrophobicContact CE-CZ3 3.95Å; M656-W672 HydrophobicContact SD-CH2 3.65Å; M656-W672 HydrophobicContact SD-CZ3 3.6Å; Q660-W672 HydrophobicContact CG-CH2 4.07Å; Q670-W672 HydrophobicContact CG-CD2 3.86Å; Q670-W672 HydrophobicContact CG-CE3 4.11Å; Q670-W672 HydrophobicContact CG-CG 4.37Å; Q670-W672 HydrophobicContact CG-CH2 4.32Å; Q670-W672 HydrophobicContact CG-CZ2 4.1Å; Q670-W672 HydrophobicContact CG-CZ3 4.32Å; Q670-W672 VanDerWaalsContact CG-O 3.31Å; Q670-W672 WeakPolarHBondContact CG-O 3.37Å; Q670-W672 PolarHBondContact NE2-O 2.73Å; W672-Y681 PolarHBondContact N-OH 2.96Å; W672-M702 HydrophobicContact CB-CE 3.56Å; W672-M702 HydrophobicContact CB-SD 4.06Å; W672-M702 HydrophobicContact CG-CE 3.77Å
673	P	95.4	Very high	91.5	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.058	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68.6	163.3	174.4	32.2	-37.6	0	0	0	111.5	S677 A679 V686 C688	P673-S677 WeakPolarHBondContact CB-O 3.33Å; P673-S677 WeakPolarHBondContact CG-O 3.21Å; P673-A679 HydrophobicContact CB-CB 3.92Å; P673-V686 HydrophobicContact CG-CG1 4.39Å; P673-C688 HydrophobicContact CG-CB 3.92Å
674	N	92.2	Very high	92.3	Very high	97 Å²	97	56.7 Å²	56.7	52%	0.519	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67.4	164.2	170.5	-66	-18.9	0	0	0	110.6	Q670 S677	Q670-N674 PolarHBondContact NE2-OD1 2.8Å; N674-S677 PolarHBondContact N-OG 3.22Å; N674-S677 VanDerWaalsContact N-OG 3.14Å; N674-S677 PolarHBondContact O-N 3.33Å; N674-S677 PolarHBondContact O-OG 2.98Å
675	P	91	Very high	93.1	Very high	52 Å²	52	58 Å²	58	34%	0.338	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	149	173.2	-26.6	35.8	0	0	0	112.5	S677 E691	P675-S677 PolarHBondContact O-N 3.1Å; P675-S677 VanDerWaalsContact O-N 3.08Å; P675-E691 HydrophobicContact CG-CB 3.71Å
676	D	89.9	Confident	93.7	Very high	151 Å²	151	48.9 Å²	48.9	81%	0.807	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	17.3	-175.5	-57.6	-55.8	0	0	0	115.6	C688	D676-C688 PolarHBondContact N-O 2.84Å
677	S	93.4	Very high	94.1	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.2	-177.6	76.5	0	0	0	0	112.8	P673 N674 P675 C688	P673-S677 WeakPolarHBondContact CB-O 3.33Å; P673-S677 WeakPolarHBondContact CG-O 3.21Å; N674-S677 PolarHBondContact N-OG 3.22Å; N674-S677 VanDerWaalsContact N-OG 3.14Å; N674-S677 PolarHBondContact O-N 3.33Å; N674-S677 PolarHBondContact O-OG 2.98Å; P675-S677 PolarHBondContact O-N 3.1Å; P675-S677 VanDerWaalsContact O-N 3.08Å; S677-C688 PolarHBondContact O-N 3.41Å; S677-C688 VanDerWaalsContact O-N 3.07Å
678	S	94.2	Very high	94.2	Very high	58 Å²	58	44.3 Å²	44.3	41%	0.406	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.5	-179.2	70.3	0	0	0	0	111.6	K685 V686 T687	S678-K685 WeakPolarHBondContact OG-CE 3.11Å; S678-V686 CarbonylContact C-O 3.5Å; S678-V686 WeakPolarHBondContact CA-O 3.4Å; S678-V686 WeakPolarHBondContact CB-O 3.43Å; S678-T687 WeakPolarHBondContact CB-OG1 3.43Å
679	A	95.1	Very high	94.1	Very high	25 Å²	25	48.9 Å²	48.9	21%	0.207	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	179.5	0	0	0	0	0	110.5	P673 Y681 V686	P673-A679 HydrophobicContact CB-CB 3.92Å; A679-Y681 HydrophobicContact CB-CE2 3.67Å; A679-V686 PolarHBondContact N-O 3.01Å; A679-V686 PolarHBondContact O-N 2.81Å
680	T	95.4	Very high	94	Very high	90 Å²	90	48 Å²	48	55%	0.552	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.6	-178.4	-58.2	0	0	0	0	110.4	G682 F684 I707	T680-G682 WeakPolarHBondContact CG2-O 3.4Å; T680-F684 WeakPolarHBondContact CA-O 3.36Å; T680-I707 HydrophobicContact CG2-CD1 3.72Å
681	Y	93.1	Very high	93.9	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	83.6	-178.3	-58.2	-80.6	0	0	0	109.5	C639 W643 Y671 W672 A679 D683 F684 V686	C639-Y681 HydrophobicContact CB-CD1 3.83Å; C639-Y681 HydrophobicContact CB-CE1 4.25Å; W643-Y681 AromaticContact CD1-CD2 3.51Å; W643-Y681 AromaticContact CD1-CG 3.51Å; W643-Y681 AromaticContact NE1-CD2 3.39Å; W643-Y681 AromaticContact NE1-CE2 3.65Å; W643-Y681 AromaticContact NE1-CG 3.74Å; Y671-Y681 VanDerWaalsContact C-OH 3.25Å; Y671-Y681 WeakPolarHBondContact O-CE2 3.42Å; Y671-Y681 PolarHBondContact O-OH 2.89Å; W672-Y681 PolarHBondContact N-OH 2.96Å; A679-Y681 HydrophobicContact CB-CE2 3.67Å; Y681-D683 PolarHBondContact O-N 3.03Å; Y681-F684 PolarHBondContact N-O 3.37Å; Y681-F684 PolarHBondContact O-N 3.43Å; Y681-V686 HydrophobicContact CD2-CB 4.29Å; Y681-V686 HydrophobicContact CD2-CG2 3.94Å; Y681-V686 HydrophobicContact CE2-CB 4.19Å; Y681-V686 HydrophobicContact CE2-CG2 4.27Å
682	G	89.5	Confident	93.7	Very high	46 Å²	46	55 Å²	55	47%	0.474	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-124.8	-170.7	0	0	0	0	0	111	T680 F684	T680-G682 WeakPolarHBondContact CG2-O 3.4Å; G682-F684 PolarHBondContact O-N 3.23Å
683	D	91.8	Very high	93.2	Very high	49 Å²	49	57.3 Å²	57.3	26%	0.262	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.1	-177.8	-49.5	-65.5	0	0	0	114.2	R644 Y681 I707 Q708	R644-D683 IonicContact CZ-OD2 3.63Å; R644-D683 IonicContact NH2-OD2 3.66Å; R644-D683 PolarHBondContact NH2-OD2 2.93Å; Y681-D683 PolarHBondContact O-N 3.03Å; D683-I707 WeakPolarHBondContact O-CB 3.49Å; D683-I707 WeakPolarHBondContact O-CG1 3.22Å; D683-I707 PolarHBondContact O-N 3.4Å; D683-Q708 PolarHBondContact OD1-NE2 2.83Å
684	F	94.6	Very high	92.7	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.1	-173	-56.6	-76.3	0	0	0	111.6	W643 R644 W647 T680 Y681 G682 I704 G705 N706	W643-F684 HydrophobicContact CB-CB 4.29Å; W643-F684 HydrophobicContact CB-CD2 4.19Å; W643-F684 HydrophobicContact CB-CG 4.34Å; R644-F684 VanDerWaalsContact CA-CE2 3.47Å; R644-F684 HydrophobicContact CB-CE2 3.69Å; R644-F684 HydrophobicContact CB-CZ 4.3Å; R644-F684 HydrophobicContact CG-CE2 4.15Å; R644-F684 HydrophobicContact CG-CZ 4.41Å; W647-F684 HydrophobicContact CB-CD1 4.23Å; W647-F684 HydrophobicContact CB-CE1 3.56Å; W647-F684 HydrophobicContact CB-CZ 3.93Å; W647-F684 AromaticContact CD1-CE1 3.66Å; W647-F684 HydrophobicContact CD2-CD1 4.31Å; W647-F684 AromaticContact CD2-CE1 3.79Å; W647-F684 HydrophobicContact CD2-CE1 3.79Å; W647-F684 HydrophobicContact CE3-CD1 4.49Å; W647-F684 HydrophobicContact CE3-CE1 4.4Å; W647-F684 HydrophobicContact CG-CD1 4.19Å; W647-F684 AromaticContact CG-CE1 3.36Å; W647-F684 HydrophobicContact CG-CE1 3.36Å; W647-F684 HydrophobicContact CG-CZ 4Å; T680-F684 WeakPolarHBondContact CA-O 3.36Å; Y681-F684 PolarHBondContact N-O 3.37Å; Y681-F684 PolarHBondContact O-N 3.43Å; G682-F684 PolarHBondContact O-N 3.23Å; F684-I704 HydrophobicContact CB-CG2 4.26Å; F684-I704 HydrophobicContact CD1-CG2 4.08Å; F684-G705 CarbonylContact C-O 3.59Å; F684-G705 WeakPolarHBondContact CA-O 3.27Å; F684-N706 HydrophobicContact CD1-CB 4.32Å; F684-N706 HydrophobicContact CE1-CB 4.22Å
685	K	95.8	Very high	92.3	Very high	96 Å²	96	61.4 Å²	61.4	42%	0.417	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.7	167.6	-175.4	179	179.2	-178.7	0	108.6	S678 G705 I707	S678-K685 WeakPolarHBondContact OG-CE 3.11Å; K685-G705 PolarHBondContact N-O 2.89Å; K685-G705 PolarHBondContact O-N 3.11Å; K685-I707 HydrophobicContact CB-CD1 4.24Å; K685-I707 HydrophobicContact CB-CG1 4.13Å
686	V	96.7	Very high	92	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133	176.5	-177.8	0	0	0	0	108.4	W643 P673 S678 A679 Y681 M702 T703 I704	W643-V686 HydrophobicContact CD2-CG2 3.76Å; W643-V686 HydrophobicContact CE3-CG2 4.16Å; W643-V686 HydrophobicContact CG-CG2 4.16Å; W643-V686 HydrophobicContact CH2-CG1 3.98Å; W643-V686 HydrophobicContact CH2-CG2 4.31Å; W643-V686 HydrophobicContact CZ2-CB 4.39Å; W643-V686 HydrophobicContact CZ2-CG1 3.87Å; W643-V686 HydrophobicContact CZ2-CG2 3.92Å; W643-V686 HydrophobicContact CZ3-CG2 4.42Å; P673-V686 HydrophobicContact CG-CG1 4.39Å; S678-V686 CarbonylContact C-O 3.5Å; S678-V686 WeakPolarHBondContact CA-O 3.4Å; S678-V686 WeakPolarHBondContact CB-O 3.43Å; A679-V686 PolarHBondContact N-O 3.01Å; A679-V686 PolarHBondContact O-N 2.81Å; Y681-V686 HydrophobicContact CD2-CB 4.29Å; Y681-V686 HydrophobicContact CD2-CG2 3.94Å; Y681-V686 HydrophobicContact CE2-CB 4.19Å; Y681-V686 HydrophobicContact CE2-CG2 4.27Å; V686-M702 HydrophobicContact CG1-SD 4.15Å; V686-T703 WeakPolarHBondContact CA-O 3.21Å; V686-I704 HydrophobicContact CG2-CG1 4.42Å; V686-I704 HydrophobicContact CG2-CG2 4.47Å
687	T	95.9	Very high	92.1	Very high	37 Å²	37	53.1 Å²	53.1	23%	0.227	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	174.6	-54.7	0	0	0	0	108.5	S678 M702 T703	S678-T687 WeakPolarHBondContact CB-OG1 3.43Å; T687-M702 CarbonylContact O-C 3.57Å; T687-M702 WeakPolarHBondContact O-CA 3.34Å; T687-M702 WeakPolarHBondContact O-CB 3.47Å; T687-T703 PolarHBondContact N-O 3.36Å; T687-T703 PolarHBondContact O-N 3.2Å
688	C	95.7	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.8	172	-170.4	0	0	0	0	108.8	P673 D676 S677 M702	P673-C688 HydrophobicContact CG-CB 3.92Å; D676-C688 PolarHBondContact N-O 2.84Å; S677-C688 PolarHBondContact O-N 3.41Å; S677-C688 VanDerWaalsContact O-N 3.07Å; C688-M702 HydrophobicContact CB-CG 4.31Å
689	H	94.1	Very high	92.3	Very high	97 Å²	97	50.8 Å²	50.8	45%	0.449	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-34.8	-176.6	-55.5	-61.5	0	0	0	112.6	E701 T703	H689-E701 PolarHBondContact N-O 3.33Å; H689-T703 PolarHBondContact NE2-OG1 3.4Å
690	N	92.5	Very high	92.3	Very high	55 Å²	55	50.1 Å²	50.1	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.2	-176.2	-162.5	8.8	0	0	0	111.4	E692 R700 E701	N690-E692 VanDerWaalsContact ND2-CD 3.34Å; N690-E692 PolarHBondContact ND2-OE1 3.39Å; N690-R700 VanDerWaalsContact O-CA 3.25Å; N690-R700 WeakPolarHBondContact O-CA 3.43Å; N690-E701 HydrophobicContact CB-CB 4.34Å; N690-E701 PolarHBondContact N-O 3.4Å; N690-E701 PolarHBondContact O-N 3.45Å; N690-E701 VanDerWaalsContact O-N 3.15Å
691	E	93.4	Very high	92.3	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.36	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	104.7	170.2	179.5	178.8	105.4	0	0	108.4	P675 L698 V699 R700	P675-E691 HydrophobicContact CG-CB 3.71Å; E691-L698 HydrophobicContact CG-CD1 4.49Å; E691-V699 WeakPolarHBondContact CA-O 3.4Å; E691-R700 HydrophobicContact CB-CG 4.12Å; E691-R700 HydrophobicContact CG-CG 4.02Å; E691-R700 IonicContact OE2-CZ 3.77Å; E691-R700 IonicContact OE2-NE 2.79Å; E691-R700 PolarHBondContact OE2-NE 2.94Å; E691-R700 IonicContact OE2-NH2 2.72Å; E691-R700 PolarHBondContact OE2-NH2 2.95Å
692	E	91.9	Very high	92.5	Very high	125 Å²	125	48.4 Å²	48.4	58%	0.584	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.5	179.2	-74.9	179.5	-162.3	0	0	110.4	N690 L698 V699	N690-E692 VanDerWaalsContact ND2-CD 3.34Å; N690-E692 PolarHBondContact ND2-OE1 3.39Å; E692-L698 CarbonylContact O-C 3.46Å; E692-V699 PolarHBondContact N-O 2.87Å; E692-V699 PolarHBondContact O-N 2.9Å
693	G	85.2	Confident	92.8	Very high	53 Å²	53	47 Å²	47	55%	0.546	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-170.5	175.2	0	0	0	0	0	114.6	F697	G693-F697 WeakPolarHBondContact CA-O 3.45Å
694	N	84.9	Confident	93	Very high	77 Å²	77	44.9 Å²	44.9	41%	0.412	25%	0.245	S	C	.	.			trans	-121.4	-170.7	179.4	64	25.1	0	0	0	110.1	A696 F697	N694-A696 PolarHBondContact O-N 3.02Å; N694-A696 WeakPolarHBondContact OD1-CA 3.43Å; N694-A696 WeakPolarHBondContact OD1-CB 3.27Å; N694-A696 PolarHBondContact OD1-N 3.48Å; N694-F697 PolarHBondContact N-O 3.45Å; N694-F697 VanDerWaalsContact ND2-CE1 3.32Å; N694-F697 WeakPolarHBondContact ND2-CE1 3.46Å; N694-F697 VanDerWaalsContact ND2-CZ 3.34Å; N694-F697 WeakPolarHBondContact ND2-CZ 3.31Å; N694-F697 PolarHBondContact OD1-N 3.32Å; N694-F697 PolarHBondContact OD1-O 2.95Å
695	S	83.5	Confident	93	Very high	115 Å²	115	45 Å²	45	80%	0.804	25%	0.248	S	C	*	.	S	Bend	trans	-66.7	-18.6	177.3	46.9	0	0	0	0	114.4
696	A	86.4	Confident	92.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.234	C	C	.	.	S	Bend	trans	-95.3	-36.9	-176.9	0	0	0	0	0	113.4	N694 Y720 L721 A722 D734	N694-A696 PolarHBondContact O-N 3.02Å; N694-A696 WeakPolarHBondContact OD1-CA 3.43Å; N694-A696 WeakPolarHBondContact OD1-CB 3.27Å; N694-A696 PolarHBondContact OD1-N 3.48Å; A696-Y720 HydrophobicContact CB-CE2 4.48Å; A696-L721 PolarHBondContact O-N 3.16Å; A696-A722 HydrophobicContact CB-CB 3.99Å; A696-A722 PolarHBondContact O-N 2.96Å; A696-A722 VanDerWaalsContact O-N 3.14Å; A696-D734 HydrophobicContact CB-CB 3.89Å
697	F	91.9	Very high	92.5	Very high	28 Å²	28	45.9 Å²	45.9	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.4	-178.6	58.9	-101.2	0	0	0	114	G693 N694 V699 Q719 Y720 F738 L741	G693-F697 WeakPolarHBondContact CA-O 3.45Å; N694-F697 PolarHBondContact N-O 3.45Å; N694-F697 VanDerWaalsContact ND2-CE1 3.32Å; N694-F697 WeakPolarHBondContact ND2-CE1 3.46Å; N694-F697 VanDerWaalsContact ND2-CZ 3.34Å; N694-F697 WeakPolarHBondContact ND2-CZ 3.31Å; N694-F697 PolarHBondContact OD1-N 3.32Å; N694-F697 PolarHBondContact OD1-O 2.95Å; F697-V699 HydrophobicContact CD2-CG2 4.4Å; F697-Q719 CarbonylContact C-O 3.6Å; F697-Q719 WeakPolarHBondContact CA-O 3.32Å; F697-Q719 WeakPolarHBondContact CB-O 3.3Å; F697-Y720 HydrophobicContact CB-CD2 4.22Å; F697-F738 HydrophobicContact CB-CD2 3.48Å; F697-F738 VanDerWaalsContact CB-CD2 3.48Å; F697-F738 HydrophobicContact CB-CE2 3.77Å; F697-F738 HydrophobicContact CD1-CB 4.08Å; F697-F738 AromaticContact CD1-CD2 3.86Å; F697-F738 HydrophobicContact CD1-CD2 3.86Å; F697-F738 HydrophobicContact CD1-CG 4.46Å; F697-F738 HydrophobicContact CD2-CD2 4.28Å; F697-F738 HydrophobicContact CE1-CB 4.47Å; F697-F738 AromaticContact CG-CD2 3.64Å; F697-F738 HydrophobicContact CG-CD2 3.64Å; F697-F738 HydrophobicContact CG-CE2 4.29Å; F697-L741 HydrophobicContact CD2-CD2 3.99Å; F697-L741 HydrophobicContact CE2-CD2 3.52Å; F697-L741 HydrophobicContact CZ-CD2 4.09Å
698	L	93.9	Very high	92.2	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148	172.6	-61.2	175.9	0	0	0	110.7	E691 E692 L718 Q719 L721	E691-L698 HydrophobicContact CG-CD1 4.49Å; E692-L698 CarbonylContact O-C 3.46Å; L698-L718 CarbonylContact O-C 3.48Å; L698-Q719 HydrophobicContact CB-CB 4.48Å; L698-Q719 PolarHBondContact N-O 3.04Å; L698-Q719 PolarHBondContact O-N 3.37Å; L698-L721 HydrophobicContact CD1-CD1 3.85Å; L698-L721 HydrophobicContact CG-CD1 3.8Å
699	V	96.3	Very high	91.8	Very high	24 Å²	24	54 Å²	54	15%	0.145	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	174.4	-175.7	0	0	0	0	106.8	E691 E692 F697 T716 Q717 L718 L741	E691-V699 WeakPolarHBondContact CA-O 3.4Å; E692-V699 PolarHBondContact N-O 2.87Å; E692-V699 PolarHBondContact O-N 2.9Å; F697-V699 HydrophobicContact CD2-CG2 4.4Å; V699-T716 HydrophobicContact CG1-CG2 4.01Å; V699-Q717 CarbonylContact C-O 3.53Å; V699-Q717 WeakPolarHBondContact CA-O 3.18Å; V699-L718 HydrophobicContact CB-CD2 4.11Å; V699-L718 HydrophobicContact CG1-CD2 3.81Å; V699-L718 HydrophobicContact CG2-CD2 3.69Å; V699-L741 HydrophobicContact CG2-CD2 3.88Å
700	R	95.8	Very high	91.4	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.038	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.8	173.8	-61.3	-175.6	-175.5	84.8	12.5	110.6	N690 E691 M702 T716 Q717	N690-R700 VanDerWaalsContact O-CA 3.25Å; N690-R700 WeakPolarHBondContact O-CA 3.43Å; E691-R700 HydrophobicContact CB-CG 4.12Å; E691-R700 HydrophobicContact CG-CG 4.02Å; E691-R700 IonicContact OE2-CZ 3.77Å; E691-R700 IonicContact OE2-NE 2.79Å; E691-R700 PolarHBondContact OE2-NE 2.94Å; E691-R700 IonicContact OE2-NH2 2.72Å; E691-R700 PolarHBondContact OE2-NH2 2.95Å; R700-M702 HydrophobicContact CB-CE 3.64Å; R700-M702 HydrophobicContact CB-CG 4.4Å; R700-M702 VanDerWaalsContact CD-CE 3.46Å; R700-M702 HydrophobicContact CG-CE 4.2Å; R700-T716 WeakPolarHBondContact O-CA 3.34Å; R700-Q717 HydrophobicContact CB-CB 4.26Å; R700-Q717 PolarHBondContact N-O 3.18Å; R700-Q717 PolarHBondContact O-N 3.5Å
701	E	96.3	Very high	91.4	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.393	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.8	173.7	-61.1	-167.8	153.1	0	0	108.4	H689 N690 K745	H689-E701 PolarHBondContact N-O 3.33Å; N690-E701 HydrophobicContact CB-CB 4.34Å; N690-E701 PolarHBondContact N-O 3.4Å; N690-E701 PolarHBondContact O-N 3.45Å; N690-E701 VanDerWaalsContact O-N 3.15Å; E701-K745 IonicContact OE1-NZ 2.8Å; E701-K745 PolarHBondContact OE1-NZ 3.21Å
702	M	96.3	Very high	91.4	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.7	-172	-58.3	-172.8	-173.3	0	0	110.9	W643 W672 V686 T687 C688 R700 L715 Q717	W643-M702 HydrophobicContact CH2-SD 4.14Å; W672-M702 HydrophobicContact CB-CE 3.56Å; W672-M702 HydrophobicContact CB-SD 4.06Å; W672-M702 HydrophobicContact CG-CE 3.77Å; V686-M702 HydrophobicContact CG1-SD 4.15Å; T687-M702 CarbonylContact O-C 3.57Å; T687-M702 WeakPolarHBondContact O-CA 3.34Å; T687-M702 WeakPolarHBondContact O-CB 3.47Å; C688-M702 HydrophobicContact CB-CG 4.31Å; R700-M702 HydrophobicContact CB-CE 3.64Å; R700-M702 HydrophobicContact CB-CG 4.4Å; R700-M702 VanDerWaalsContact CD-CE 3.46Å; R700-M702 HydrophobicContact CG-CE 4.2Å; M702-L715 PolarHBondContact N-O 3.45Å; M702-L715 PolarHBondContact O-N 2.91Å; M702-Q717 HydrophobicContact CE-CB 3.95Å
703	T	96.2	Very high	91.5	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.2	165	-60	0	0	0	0	109.6	V686 T687 H689 Q712 R713	V686-T703 WeakPolarHBondContact CA-O 3.21Å; T687-T703 PolarHBondContact N-O 3.36Å; T687-T703 PolarHBondContact O-N 3.2Å; H689-T703 PolarHBondContact NE2-OG1 3.4Å; T703-Q712 HydrophobicContact CG2-CB 3.77Å; T703-Q712 HydrophobicContact CG2-CG 4.23Å; T703-R713 CarbonylContact C-O 3.6Å; T703-R713 WeakPolarHBondContact CA-O 3.49Å
704	I	95.8	Very high	92	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.9	167.9	-50.9	168	0	0	0	107.3	W643 T646 W647 F684 V686 Q712 R713 L715	W643-I704 HydrophobicContact CE3-CD1 3.66Å; W643-I704 HydrophobicContact CE3-CG1 4.04Å; W643-I704 HydrophobicContact CZ3-CD1 3.65Å; W643-I704 HydrophobicContact CZ3-CG1 3.91Å; T646-I704 HydrophobicContact CG2-CD1 3.85Å; W647-I704 HydrophobicContact CE3-CB 4.26Å; W647-I704 HydrophobicContact CE3-CG2 3.81Å; W647-I704 HydrophobicContact CZ3-CB 4.44Å; W647-I704 HydrophobicContact CZ3-CG2 4.27Å; W647-I704 WeakPolarHBondContact CZ3-O 3.45Å; F684-I704 HydrophobicContact CB-CG2 4.26Å; F684-I704 HydrophobicContact CD1-CG2 4.08Å; V686-I704 HydrophobicContact CG2-CG1 4.42Å; V686-I704 HydrophobicContact CG2-CG2 4.47Å; I704-Q712 CarbonylContact O-C 3.54Å; I704-Q712 WeakPolarHBondContact O-CA 3.4Å; I704-R713 PolarHBondContact N-O 2.94Å; I704-R713 PolarHBondContact O-N 2.69Å; I704-L715 HydrophobicContact CD1-CB 4.3Å; I704-L715 HydrophobicContact CD1-CD1 3.77Å; I704-L715 HydrophobicContact CG1-CB 4.46Å
705	G	93.9	Very high	92.5	Very high	11 Å²	11	64.2 Å²	64.2	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.2	168.4	0	0	0	0	0	111	F684 K685 Q711	F684-G705 CarbonylContact C-O 3.59Å; F684-G705 WeakPolarHBondContact CA-O 3.27Å; K685-G705 PolarHBondContact N-O 2.89Å; K685-G705 PolarHBondContact O-N 3.11Å; G705-Q711 WeakPolarHBondContact CA-O 3.45Å
706	N	92.4	Very high	93.1	Very high	21 Å²	21	60 Å²	60	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.4	166.8	-177.9	-46.4	0	0	0	108.7	W647 F684 Q708 S709 E710 Q711	W647-N706 HydrophobicContact CD2-CB 4.45Å; W647-N706 HydrophobicContact CH2-CB 3.91Å; W647-N706 HydrophobicContact CZ2-CB 3.63Å; W647-N706 HydrophobicContact CZ3-CB 4.42Å; F684-N706 HydrophobicContact CD1-CB 4.32Å; F684-N706 HydrophobicContact CE1-CB 4.22Å; N706-Q708 VanDerWaalsContact C-N 3.3Å; N706-Q708 PolarHBondContact O-N 3.1Å; N706-Q708 WeakPolarHBondContact OD1-CA 3.5Å; N706-Q708 WeakPolarHBondContact OD1-CB 3.37Å; N706-Q708 PolarHBondContact OD1-N 3.09Å; N706-S709 WeakPolarHBondContact CB-OG 3.47Å; N706-S709 PolarHBondContact OD1-N 3.46Å; N706-S709 VanDerWaalsContact OD1-N 3.09Å; N706-E710 WeakPolarHBondContact O-CA 3.47Å; N706-E710 PolarHBondContact O-N 2.9Å; N706-Q711 PolarHBondContact N-O 2.99Å
707	I	90.7	Very high	93.6	Very high	94 Å²	94	60 Å²	60	48%	0.482	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-27.2	-173.7	-60	168.8	0	0	0	111.5	T680 D683 K685	T680-I707 HydrophobicContact CG2-CD1 3.72Å; D683-I707 WeakPolarHBondContact O-CB 3.49Å; D683-I707 WeakPolarHBondContact O-CG1 3.22Å; D683-I707 PolarHBondContact O-N 3.4Å; K685-I707 HydrophobicContact CB-CD1 4.24Å; K685-I707 HydrophobicContact CB-CG1 4.13Å
708	Q	88	Confident	93.9	Very high	148 Å²	148	58.6 Å²	58.6	69%	0.692	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-33.2	-177.7	-55.8	-176.9	5.8	0	0	113	D683 N706	D683-Q708 PolarHBondContact OD1-NE2 2.83Å; N706-Q708 VanDerWaalsContact C-N 3.3Å; N706-Q708 PolarHBondContact O-N 3.1Å; N706-Q708 WeakPolarHBondContact OD1-CA 3.5Å; N706-Q708 WeakPolarHBondContact OD1-CB 3.37Å; N706-Q708 PolarHBondContact OD1-N 3.09Å
709	S	87.4	Confident	94	Very high	58 Å²	58	57.5 Å²	57.5	41%	0.406	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.4	-178.5	69.7	0	0	0	0	114.6	N706 Q711	N706-S709 WeakPolarHBondContact CB-OG 3.47Å; N706-S709 PolarHBondContact OD1-N 3.46Å; N706-S709 VanDerWaalsContact OD1-N 3.09Å; S709-Q711 PolarHBondContact O-N 3.1Å
710	E	86.4	Confident	93.9	Very high	174 Å²	174	56.4 Å²	56.4	81%	0.813	27%	0.274	S	S	*	.			trans	54.9	5.8	-174.1	-58.1	-170.1	158.1	0	0	115.4	N706	N706-E710 WeakPolarHBondContact O-CA 3.47Å; N706-E710 PolarHBondContact O-N 2.9Å
711	Q	92.6	Very high	93.6	Very high	109 Å²	109	58.6 Å²	58.6	51%	0.509	29%	0.286	S	S	.	.			trans	-73.3	141.2	176.8	-68.2	-173.7	-5.4	0	0	111	W647 G705 N706 S709	W647-Q711 HydrophobicContact CH2-CB 3.72Å; W647-Q711 WeakPolarHBondContact CH2-O 3.1Å; W647-Q711 HydrophobicContact CZ2-CB 3.92Å; G705-Q711 WeakPolarHBondContact CA-O 3.45Å; N706-Q711 PolarHBondContact N-O 2.99Å; S709-Q711 PolarHBondContact O-N 3.1Å
712	Q	93.6	Very high	93.1	Very high	150 Å²	150	56.3 Å²	56.3	70%	0.701	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.1	173.8	-64.9	-172.7	12.5	0	0	110.8	T703 I704	T703-Q712 HydrophobicContact CG2-CB 3.77Å; T703-Q712 HydrophobicContact CG2-CG 4.23Å; I704-Q712 CarbonylContact O-C 3.54Å; I704-Q712 WeakPolarHBondContact O-CA 3.4Å
713	R	94.4	Very high	92.4	Very high	96 Å²	96	56.6 Å²	56.6	36%	0.362	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.8	175	-65.6	-178.8	-171.7	170.7	5.5	110	W647 T703 I704	W647-R713 HydrophobicContact CE3-CG 4.34Å; W647-R713 HydrophobicContact CH2-CG 3.84Å; W647-R713 HydrophobicContact CZ3-CB 3.94Å; W647-R713 HydrophobicContact CZ3-CG 3.58Å; W647-R713 PolarHBondContact O-NH1 3.31Å; T703-R713 CarbonylContact C-O 3.6Å; T703-R713 WeakPolarHBondContact CA-O 3.49Å; I704-R713 PolarHBondContact N-O 2.94Å; I704-R713 PolarHBondContact O-N 2.69Å
714	E	94.8	Very high	91.4	Very high	167 Å²	167	58 Å²	58	78%	0.78	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.6	172.5	-64.3	177.2	171.4	0	0	110.5
715	L	95.8	Very high	89.4	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.2	177.1	-175.8	135.3	0	0	0	110.7	W643 T646 S651 S652 V654 M702 I704 Q717	W643-L715 HydrophobicContact CZ3-CD1 4.38Å; W643-L715 HydrophobicContact CZ3-CD2 4.48Å; T646-L715 HydrophobicContact CG2-CD1 3.41Å; T646-L715 VanDerWaalsContact CG2-CD1 3.41Å; S651-L715 VanDerWaalsContact O-CD1 3.3Å; S651-L715 WeakPolarHBondContact O-CD1 3.4Å; S652-L715 WeakPolarHBondContact O-CA 3.39Å; V654-L715 HydrophobicContact CB-CD2 4.36Å; V654-L715 HydrophobicContact CG2-CD1 3.82Å; V654-L715 HydrophobicContact CG2-CD2 4.01Å; V654-L715 HydrophobicContact CG2-CG 4.42Å; M702-L715 PolarHBondContact N-O 3.45Å; M702-L715 PolarHBondContact O-N 2.91Å; I704-L715 HydrophobicContact CD1-CB 4.3Å; I704-L715 HydrophobicContact CD1-CD1 3.77Å; I704-L715 HydrophobicContact CG1-CB 4.46Å; L715-Q717 HydrophobicContact CD2-CB 4.32Å
716	T	96.2	Very high	87.3	Confident	25 Å²	25	65 Å²	65	15%	0.153	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.4	168.5	-56.1	0	0	0	0	109.9	S652 M653 V654 V699 R700 L718	S652-T716 PolarHBondContact O-N 3.39Å; M653-T716 VanDerWaalsContact CA-O 3.3Å; M653-T716 WeakPolarHBondContact CA-O 3.42Å; M653-T716 WeakPolarHBondContact CG-O 3.29Å; V654-T716 PolarHBondContact N-O 3.26Å; V699-T716 HydrophobicContact CG1-CG2 4.01Å; R700-T716 WeakPolarHBondContact O-CA 3.34Å; T716-L718 HydrophobicContact CG2-CD2 3.99Å; T716-L718 HydrophobicContact CG2-CG 4.2Å
717	Q	97.2	Very high	86	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127	167.7	-168.6	-157	45.3	0	0	109.5	V654 Y671 V699 R700 M702 L715	V654-Q717 HydrophobicContact CB-CG 4.22Å; V654-Q717 HydrophobicContact CG1-CG 4.22Å; V654-Q717 CarbonylContact O-C 3.59Å; V654-Q717 VanDerWaalsContact O-CA 3.28Å; V654-Q717 WeakPolarHBondContact O-CA 3.34Å; Y671-Q717 VanDerWaalsContact CZ-NE2 3.32Å; Y671-Q717 PolarHBondContact OH-NE2 2.83Å; V699-Q717 CarbonylContact C-O 3.53Å; V699-Q717 WeakPolarHBondContact CA-O 3.18Å; R700-Q717 HydrophobicContact CB-CB 4.26Å; R700-Q717 PolarHBondContact N-O 3.18Å; R700-Q717 PolarHBondContact O-N 3.5Å; M702-Q717 HydrophobicContact CE-CB 3.95Å; L715-Q717 HydrophobicContact CD2-CB 4.32Å
718	L	96.9	Very high	85.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.5	175.2	-61.7	176.2	0	0	0	108.9	M653 V654 V655 M656 L698 V699 T716 F738 L741 V742	M653-L718 HydrophobicContact SD-CD1 3.58Å; M653-L718 VanDerWaalsContact SD-CD1 3.58Å; M653-L718 HydrophobicContact SD-CG 4.32Å; V654-L718 PolarHBondContact O-N 2.92Å; V655-L718 CarbonylContact C-O 3.57Å; V655-L718 WeakPolarHBondContact CA-O 3.33Å; V655-L718 HydrophobicContact CG2-CB 4.38Å; V655-L718 HydrophobicContact CG2-CD1 4.47Å; M656-L718 PolarHBondContact N-O 2.88Å; L698-L718 CarbonylContact O-C 3.48Å; V699-L718 HydrophobicContact CB-CD2 4.11Å; V699-L718 HydrophobicContact CG1-CD2 3.81Å; V699-L718 HydrophobicContact CG2-CD2 3.69Å; T716-L718 HydrophobicContact CG2-CD2 3.99Å; T716-L718 HydrophobicContact CG2-CG 4.2Å; L718-F738 HydrophobicContact CB-CE2 3.92Å; L718-F738 HydrophobicContact CB-CZ 3.88Å; L718-L741 HydrophobicContact CD2-CD2 4.15Å; L718-L741 HydrophobicContact CD2-CG 4.41Å; L718-V742 HydrophobicContact CD1-CB 4.27Å; L718-V742 HydrophobicContact CD1-CG2 3.62Å
719	Q	96.4	Very high	85.1	Confident	6 Å²	6	56 Å²	56	3%	0.028	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.3	-179.3	-177.6	177.1	17	0	0	111.5	M656 T658 F697 L698 L721	M656-Q719 HydrophobicContact CB-CB 4.2Å; M656-Q719 HydrophobicContact CB-CG 4.14Å; M656-Q719 HydrophobicContact CG-CG 3.94Å; M656-Q719 CarbonylContact O-C 3.56Å; M656-Q719 VanDerWaalsContact O-CA 3.3Å; M656-Q719 WeakPolarHBondContact O-CA 3.07Å; M656-Q719 HydrophobicContact SD-CG 4.17Å; T658-Q719 PolarHBondContact O-NE2 3.41Å; F697-Q719 CarbonylContact C-O 3.6Å; F697-Q719 WeakPolarHBondContact CA-O 3.32Å; F697-Q719 WeakPolarHBondContact CB-O 3.3Å; L698-Q719 HydrophobicContact CB-CB 4.48Å; L698-Q719 PolarHBondContact N-O 3.04Å; L698-Q719 PolarHBondContact O-N 3.37Å; Q719-L721 HydrophobicContact CG-CD2 3.85Å
720	Y	94.6	Very high	84.1	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.3	172.8	-168.2	-97.9	0	0	0	110.5	M656 A696 F697 A722 W723 P729 F735 F738	M656-Y720 PolarHBondContact O-N 2.73Å; A696-Y720 HydrophobicContact CB-CE2 4.48Å; F697-Y720 HydrophobicContact CB-CD2 4.22Å; Y720-A722 HydrophobicContact CE1-CB 4.21Å; Y720-W723 HydrophobicContact CD1-CB 3.92Å; Y720-W723 AromaticContact CD1-CE3 3.97Å; Y720-W723 HydrophobicContact CD1-CE3 3.97Å; Y720-W723 HydrophobicContact CE1-CB 3.94Å; Y720-W723 HydrophobicContact CE1-CE3 4.01Å; Y720-P729 HydrophobicContact CE1-CG 4.44Å; Y720-F735 HydrophobicContact CE2-CB 4.4Å; Y720-F738 HydrophobicContact CD2-CB 3.75Å; Y720-F738 AromaticContact CD2-CD1 3.91Å; Y720-F738 HydrophobicContact CD2-CD1 3.91Å; Y720-F738 AromaticContact CD2-CD2 3.88Å; Y720-F738 HydrophobicContact CD2-CD2 3.88Å; Y720-F738 HydrophobicContact CD2-CE1 4.49Å; Y720-F738 HydrophobicContact CD2-CE2 4.44Å; Y720-F738 AromaticContact CD2-CG 3.56Å; Y720-F738 HydrophobicContact CD2-CG 3.56Å; Y720-F738 HydrophobicContact CE2-CB 3.98Å; Y720-F738 HydrophobicContact CE2-CG 4.3Å; Y720-F738 HydrophobicContact CG-CD1 4.34Å; Y720-F738 HydrophobicContact CG-CG 4.37Å
721	L	89.7	Confident	83.7	Confident	55 Å²	55	57.7 Å²	57.7	29%	0.288	30%	0.301	S	S	.	.			trans	-103	-34.1	-174.5	-62.8	-179.3	0	0	0	113.1	T659 A696 L698 Q719 W723	T659-L721 HydrophobicContact CG2-CD2 4.09Å; A696-L721 PolarHBondContact O-N 3.16Å; L698-L721 HydrophobicContact CD1-CD1 3.85Å; L698-L721 HydrophobicContact CG-CD1 3.8Å; Q719-L721 HydrophobicContact CG-CD2 3.85Å; L721-W723 PolarHBondContact O-N 2.88Å
722	A	84.8	Confident	83.4	Confident	37 Å²	37	53.1 Å²	53.1	31%	0.306	28%	0.281	S	S	.	.			trans	-75.6	19.6	-175.7	0	0	0	0	0	114.9	A696 Y720 P724	A696-A722 HydrophobicContact CB-CB 3.99Å; A696-A722 PolarHBondContact O-N 2.96Å; A696-A722 VanDerWaalsContact O-N 3.14Å; Y720-A722 HydrophobicContact CE1-CB 4.21Å; A722-P724 WeakPolarHBondContact O-CD 3.48Å
723	W	83.5	Confident	83.1	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.038	26%	0.262	C	S	.	.			trans	-84.4	116.4	172.8	-153.4	-57.6	0	0	0	110.1	Y720 L721 G727 P729 F735 R763 V766 F808	Y720-W723 HydrophobicContact CD1-CB 3.92Å; Y720-W723 AromaticContact CD1-CE3 3.97Å; Y720-W723 HydrophobicContact CD1-CE3 3.97Å; Y720-W723 HydrophobicContact CE1-CB 3.94Å; Y720-W723 HydrophobicContact CE1-CE3 4.01Å; L721-W723 PolarHBondContact O-N 2.88Å; W723-G727 PolarHBondContact NE1-O 3.42Å; W723-P729 HydrophobicContact CD2-CG 4.42Å; W723-F735 HydrophobicContact CH2-CE2 4.44Å; W723-F735 HydrophobicContact CZ3-CD2 4.07Å; W723-F735 AromaticContact CZ3-CE2 3.79Å; W723-F735 HydrophobicContact CZ3-CE2 3.79Å; W723-F735 HydrophobicContact CZ3-CZ 4.28Å; W723-R763 HydrophobicContact CD2-CB 4.37Å; W723-R763 VanDerWaalsContact CD2-CD 3.45Å; W723-R763 HydrophobicContact CD2-CG 3.77Å; W723-R763 HydrophobicContact CE3-CB 4.28Å; W723-R763 HydrophobicContact CE3-CG 4.19Å; W723-R763 VanDerWaalsContact CG-CD 3.43Å; W723-R763 HydrophobicContact CG-CG 4.23Å; W723-R763 HydrophobicContact CH2-CB 4.24Å; W723-R763 HydrophobicContact CH2-CG 4.27Å; W723-R763 HydrophobicContact CZ2-CB 4.32Å; W723-R763 HydrophobicContact CZ2-CG 3.86Å; W723-R763 HydrophobicContact CZ3-CB 4.21Å; W723-R763 HydrophobicContact CZ3-CG 4.42Å; W723-V766 HydrophobicContact CH2-CB 3.83Å; W723-V766 HydrophobicContact CH2-CG1 3.74Å; W723-V766 HydrophobicContact CH2-CG2 4.24Å; W723-V766 HydrophobicContact CZ2-CG2 4.47Å; W723-F808 HydrophobicContact CH2-CE1 4.38Å
724	P	75	Confident	82.8	Confident	47 Å²	47	47.4 Å²	47.4	31%	0.305	26%	0.264	S	S	.	.			trans	-69.4	147.3	-176.3	26.8	-33.5	0	0	0	112.8	A722 H726 V728	A722-P724 WeakPolarHBondContact O-CD 3.48Å; P724-H726 PolarHBondContact O-N 3.19Å; P724-V728 VanDerWaalsContact CG-C 3.41Å; P724-V728 WeakPolarHBondContact CG-O 3.29Å
725	D	53.1	Low	82.7	Confident	68 Å²	68	39.5 Å²	39.5	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-57.3	-18.8	175.2	-63.2	-22.1	0	0	0	114.3	E662 R663	E662-D725 VanDerWaalsContact CB-OD1 3.25Å; E662-D725 WeakPolarHBondContact CB-OD1 3.43Å; E662-D725 VanDerWaalsContact CG-OD1 3.25Å; E662-D725 WeakPolarHBondContact CG-OD1 3.4Å; R663-D725 HydrophobicContact CG-CB 4.29Å; R663-D725 WeakPolarHBondContact CG-OD2 3.29Å; R663-D725 IonicContact CZ-OD2 2.67Å; R663-D725 VanDerWaalsContact NE-CB 3.29Å; R663-D725 IonicContact NE-OD2 3.26Å; R663-D725 PolarHBondContact NE-OD2 2.63Å
726	H	49.6	Very low	82.5	Confident	94 Å²	94	40.1 Å²	40.1	44%	0.435	23%	0.231	S	C	.	.	S	Bend	trans	-120.8	104.2	179.2	-78.5	-18.8	0	0	0	109.3	R663 P724 V728	R663-H726 VanDerWaalsContact CZ-CE1 3.47Å; R663-H726 PolarHBondContact NH1-CE1 3.29Å; R663-H726 PolarHBondContact NH1-NE2 3.03Å; R663-H726 PolarHBondContact NH2-CD2 2.65Å; R663-H726 VanDerWaalsContact NH2-CG 3.34Å; R663-H726 PolarHBondContact NH2-NE2 3.28Å; R663-H726 VanDerWaalsContact NH2-NE2 3.18Å; P724-H726 PolarHBondContact O-N 3.19Å; H726-V728 PolarHBondContact O-N 3.41Å
727	G	65.8	Low	82.3	Confident	32 Å²	32	43.4 Å²	43.4	33%	0.33	25%	0.247	S	C	.	.	S	Bend	trans	80.4	-111.2	171.9	0	0	0	0	0	114.4	W723	W723-G727 PolarHBondContact NE1-O 3.42Å
728	V	80.4	Confident	82.1	Confident	31 Å²	31	43.3 Å²	43.3	19%	0.188	25%	0.247	C	C	.	.	S	Bend	trans	-145.3	153.7	-159.9	-66.5	0	0	0	0	109.8	P724 H726 Q805 F808	P724-V728 VanDerWaalsContact CG-C 3.41Å; P724-V728 WeakPolarHBondContact CG-O 3.29Å; H726-V728 PolarHBondContact O-N 3.41Å; V728-Q805 HydrophobicContact CG1-CB 4.45Å; V728-Q805 HydrophobicContact CG1-CG 4.02Å; V728-F808 HydrophobicContact CB-CB 3.83Å; V728-F808 HydrophobicContact CB-CD1 4.32Å; V728-F808 HydrophobicContact CB-CD2 3.8Å; V728-F808 HydrophobicContact CB-CE2 4.44Å; V728-F808 HydrophobicContact CB-CG 3.73Å; V728-F808 HydrophobicContact CG1-CB 3.64Å; V728-F808 HydrophobicContact CG1-CD1 4.3Å; V728-F808 HydrophobicContact CG1-CD2 4.49Å; V728-F808 HydrophobicContact CG1-CG 3.92Å; V728-F808 HydrophobicContact CG2-CB 3.99Å; V728-F808 HydrophobicContact CG2-CD2 4.05Å; V728-F808 HydrophobicContact CG2-CG 4.21Å
729	P	79.4	Confident	82	Confident	10 Å²	10	43.3 Å²	43.3	7%	0.065	25%	0.247	C	C	.	.			trans	-53.6	138.6	173.2	-25.8	35.1	0	0	0	112.4	Y720 W723 D731 F808	Y720-P729 HydrophobicContact CE1-CG 4.44Å; W723-P729 HydrophobicContact CD2-CG 4.42Å; P729-D731 VanDerWaalsContact C-N 3.32Å; P729-D731 WeakPolarHBondContact CB-O 3.42Å; P729-F808 HydrophobicContact CB-CE2 4.03Å; P729-F808 HydrophobicContact CB-CZ 4.09Å; P729-F808 HydrophobicContact CG-CE2 4.25Å; P729-F808 HydrophobicContact CG-CZ 3.89Å; P729-F808 WeakPolarHBondContact O-CE2 3.38Å
730	D	66.9	Low	81.7	Confident	179 Å²	179	45.7 Å²	45.7	96%	0.957	27%	0.268	S	S	*	.	S	Bend	trans	-69.8	-28.5	-180	-68.5	-49.1	0	0	0	112.7
731	D	76.9	Confident	81.7	Confident	89 Å²	89	47.7 Å²	47.7	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-123	142.6	165.3	-178.9	25.1	0	0	0	109.5	P729 T733 K815	P729-D731 VanDerWaalsContact C-N 3.32Å; P729-D731 WeakPolarHBondContact CB-O 3.42Å; D731-T733 PolarHBondContact OD1-N 3.1Å; D731-T733 PolarHBondContact OD1-OG1 2.89Å; D731-T733 VanDerWaalsContact OD1-OG1 3.1Å; D731-T733 WeakPolarHBondContact OD2-CB 3.45Å; D731-T733 PolarHBondContact OD2-OG1 3.29Å; D731-K815 IonicContact OD1-NZ 2.76Å; D731-K815 PolarHBondContact OD1-NZ 3.26Å
732	S	85.5	Confident	81.9	Confident	13 Å²	13	45.1 Å²	45.1	9%	0.091	26%	0.264	C	S	.	.	S	Bend	trans	-84.6	-10.3	-179.7	69.7	0	0	0	0	113.4	F735 L736 K815	S732-F735 CarbonylContact O-C 3.54Å; S732-F735 WeakPolarHBondContact O-CB 3.23Å; S732-F735 PolarHBondContact O-N 2.84Å; S732-F735 VanDerWaalsContact O-N 3.13Å; S732-L736 VanDerWaalsContact O-CG 3.32Å; S732-L736 WeakPolarHBondContact O-CG 3.41Å; S732-L736 PolarHBondContact O-N 3.12Å; S732-K815 VanDerWaalsContact OG-CD 3.24Å; S732-K815 WeakPolarHBondContact OG-CD 3.37Å
733	T	87.5	Confident	82.2	Confident	51 Å²	51	45.6 Å²	45.6	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-55.4	-172.6	-48.4	0	0	0	0	112.8	D731 F735 L736 D737 K815	D731-T733 PolarHBondContact OD1-N 3.1Å; D731-T733 PolarHBondContact OD1-OG1 2.89Å; D731-T733 VanDerWaalsContact OD1-OG1 3.1Å; D731-T733 WeakPolarHBondContact OD2-CB 3.45Å; D731-T733 PolarHBondContact OD2-OG1 3.29Å; T733-F735 PolarHBondContact O-N 3.42Å; T733-F735 VanDerWaalsContact O-N 3.13Å; T733-L736 PolarHBondContact O-N 3.02Å; T733-D737 PolarHBondContact O-N 3.48Å; T733-K815 PolarHBondContact OG1-NZ 3.43Å
734	D	89.4	Confident	82.6	Confident	76 Å²	76	49.3 Å²	49.3	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-55.2	-34.3	176.6	-75.6	-7.6	0	0	0	112.8	A696 F738	A696-D734 HydrophobicContact CB-CB 3.89Å; D734-F738 WeakPolarHBondContact O-CB 3.49Å; D734-F738 PolarHBondContact O-N 3.26Å; D734-F738 VanDerWaalsContact O-N 3.16Å
735	F	92	Very high	83.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-75.5	-39.7	177.7	174.3	-118.9	0	0	0	111.9	Y720 W723 S732 T733 F738 V739 V766 M770 F808	Y720-F735 HydrophobicContact CE2-CB 4.4Å; W723-F735 HydrophobicContact CH2-CE2 4.44Å; W723-F735 HydrophobicContact CZ3-CD2 4.07Å; W723-F735 AromaticContact CZ3-CE2 3.79Å; W723-F735 HydrophobicContact CZ3-CE2 3.79Å; W723-F735 HydrophobicContact CZ3-CZ 4.28Å; S732-F735 CarbonylContact O-C 3.54Å; S732-F735 WeakPolarHBondContact O-CB 3.23Å; S732-F735 PolarHBondContact O-N 2.84Å; S732-F735 VanDerWaalsContact O-N 3.13Å; T733-F735 PolarHBondContact O-N 3.42Å; T733-F735 VanDerWaalsContact O-N 3.13Å; F735-F738 WeakPolarHBondContact O-CB 3.28Å; F735-F738 PolarHBondContact O-N 3.28Å; F735-V739 HydrophobicContact CD2-CG2 4.3Å; F735-V739 HydrophobicContact CE1-CG2 4.25Å; F735-V739 HydrophobicContact CE2-CG2 3.87Å; F735-V739 HydrophobicContact CZ-CG2 3.83Å; F735-V739 VanDerWaalsContact O-CG2 3.29Å; F735-V739 WeakPolarHBondContact O-CG2 3.24Å; F735-V739 PolarHBondContact O-N 3.39Å; F735-V766 HydrophobicContact CE1-CG1 3.93Å; F735-V766 HydrophobicContact CZ-CG1 3.84Å; F735-M770 HydrophobicContact CE1-CG 3.56Å; F735-M770 HydrophobicContact CZ-CG 3.95Å; F735-F808 HydrophobicContact CB-CZ 4.33Å; F735-F808 AromaticContact CD1-CE1 3.51Å; F735-F808 HydrophobicContact CD1-CE1 3.51Å; F735-F808 AromaticContact CD1-CZ 3.67Å; F735-F808 HydrophobicContact CD1-CZ 3.67Å; F735-F808 AromaticContact CE1-CE1 3.7Å; F735-F808 HydrophobicContact CE1-CE1 3.7Å; F735-F808 HydrophobicContact CE1-CZ 4.33Å; F735-F808 HydrophobicContact CG-CE1 4.27Å; F735-F808 HydrophobicContact CG-CZ 4.22Å
736	L	91.8	Very high	85	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-42	175.6	-70.2	174.2	0	0	0	111.5	S732 T733 F738 V739 A740 M770 K815 V816	S732-L736 VanDerWaalsContact O-CG 3.32Å; S732-L736 WeakPolarHBondContact O-CG 3.41Å; S732-L736 PolarHBondContact O-N 3.12Å; T733-L736 PolarHBondContact O-N 3.02Å; L736-F738 VanDerWaalsContact C-N 3.31Å; L736-F738 PolarHBondContact O-N 3.09Å; L736-V739 PolarHBondContact O-N 2.95Å; L736-A740 PolarHBondContact O-N 3.27Å; L736-M770 HydrophobicContact CD2-CE 3.65Å; L736-K815 HydrophobicContact CD1-CD 4.29Å; L736-V816 HydrophobicContact CD1-CG2 3.73Å; L736-V816 HydrophobicContact CD2-CG2 3.46Å; L736-V816 VanDerWaalsContact CD2-CG2 3.46Å; L736-V816 HydrophobicContact CG-CG2 4.22Å
737	D	91.2	Very high	86.5	Confident	94 Å²	94	47.4 Å²	47.4	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-41.3	173.2	-74.8	-16.3	0	0	0	111.4	T733 A740 L741	T733-D737 PolarHBondContact O-N 3.48Å; D737-A740 PolarHBondContact O-N 3.42Å; D737-L741 PolarHBondContact O-N 2.81Å
738	F	93.8	Very high	87	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-42.6	173.4	-176.9	-101.3	0	0	0	112.5	V655 L657 F697 L718 Y720 D734 F735 L736 A740 L741 V742	V655-F738 HydrophobicContact CG1-CE1 3.78Å; V655-F738 HydrophobicContact CG1-CZ 3.79Å; L657-F738 HydrophobicContact CD2-CD1 4.47Å; L657-F738 HydrophobicContact CD2-CE1 3.71Å; L657-F738 HydrophobicContact CD2-CZ 4.42Å; F697-F738 HydrophobicContact CB-CD2 3.48Å; F697-F738 VanDerWaalsContact CB-CD2 3.48Å; F697-F738 HydrophobicContact CB-CE2 3.77Å; F697-F738 HydrophobicContact CD1-CB 4.08Å; F697-F738 AromaticContact CD1-CD2 3.86Å; F697-F738 HydrophobicContact CD1-CD2 3.86Å; F697-F738 HydrophobicContact CD1-CG 4.46Å; F697-F738 HydrophobicContact CD2-CD2 4.28Å; F697-F738 HydrophobicContact CE1-CB 4.47Å; F697-F738 AromaticContact CG-CD2 3.64Å; F697-F738 HydrophobicContact CG-CD2 3.64Å; F697-F738 HydrophobicContact CG-CE2 4.29Å; L718-F738 HydrophobicContact CB-CE2 3.92Å; L718-F738 HydrophobicContact CB-CZ 3.88Å; Y720-F738 HydrophobicContact CD2-CB 3.75Å; Y720-F738 AromaticContact CD2-CD1 3.91Å; Y720-F738 HydrophobicContact CD2-CD1 3.91Å; Y720-F738 AromaticContact CD2-CD2 3.88Å; Y720-F738 HydrophobicContact CD2-CD2 3.88Å; Y720-F738 HydrophobicContact CD2-CE1 4.49Å; Y720-F738 HydrophobicContact CD2-CE2 4.44Å; Y720-F738 AromaticContact CD2-CG 3.56Å; Y720-F738 HydrophobicContact CD2-CG 3.56Å; Y720-F738 HydrophobicContact CE2-CB 3.98Å; Y720-F738 HydrophobicContact CE2-CG 4.3Å; Y720-F738 HydrophobicContact CG-CD1 4.34Å; Y720-F738 HydrophobicContact CG-CG 4.37Å; D734-F738 WeakPolarHBondContact O-CB 3.49Å; D734-F738 PolarHBondContact O-N 3.26Å; D734-F738 VanDerWaalsContact O-N 3.16Å; F735-F738 WeakPolarHBondContact O-CB 3.28Å; F735-F738 PolarHBondContact O-N 3.28Å; L736-F738 VanDerWaalsContact C-N 3.31Å; L736-F738 PolarHBondContact O-N 3.09Å; F738-A740 VanDerWaalsContact C-N 3.33Å; F738-A740 PolarHBondContact O-N 3.13Å; F738-L741 PolarHBondContact O-N 3.02Å; F738-V742 HydrophobicContact CD1-CG2 4.09Å; F738-V742 HydrophobicContact CE1-CG2 3.74Å; F738-V742 HydrophobicContact CZ-CG2 4.02Å; F738-V742 VanDerWaalsContact O-CG2 3.28Å; F738-V742 WeakPolarHBondContact O-CG2 3.46Å; F738-V742 PolarHBondContact O-N 2.83Å
739	V	93.9	Very high	86.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-41.4	174.6	176.3	0	0	0	0	110.8	F735 L736 L741 V742 R743 L767 M770 L774	F735-V739 HydrophobicContact CD2-CG2 4.3Å; F735-V739 HydrophobicContact CE1-CG2 4.25Å; F735-V739 HydrophobicContact CE2-CG2 3.87Å; F735-V739 HydrophobicContact CZ-CG2 3.83Å; F735-V739 VanDerWaalsContact O-CG2 3.29Å; F735-V739 WeakPolarHBondContact O-CG2 3.24Å; F735-V739 PolarHBondContact O-N 3.39Å; L736-V739 PolarHBondContact O-N 2.95Å; V739-L741 VanDerWaalsContact C-N 3.35Å; V739-L741 PolarHBondContact O-N 2.94Å; V739-V742 PolarHBondContact O-N 2.97Å; V739-R743 HydrophobicContact CG1-CG 4.38Å; V739-R743 VanDerWaalsContact O-CG 3.28Å; V739-R743 WeakPolarHBondContact O-CG 3.3Å; V739-R743 PolarHBondContact O-N 3.22Å; V739-L767 HydrophobicContact CG2-CD1 3.76Å; V739-M770 HydrophobicContact CG1-CB 4.38Å; V739-M770 HydrophobicContact CG2-CB 4.23Å; V739-L774 HydrophobicContact CG1-CD1 3.54Å
740	A	91.9	Very high	87	Confident	56 Å²	56	57.5 Å²	57.5	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-41.1	176.1	0	0	0	0	0	112.1	L736 D737 F738 R743 S744	L736-A740 PolarHBondContact O-N 3.27Å; D737-A740 PolarHBondContact O-N 3.42Å; F738-A740 VanDerWaalsContact C-N 3.33Å; F738-A740 PolarHBondContact O-N 3.13Å; A740-R743 PolarHBondContact O-N 2.93Å; A740-S744 WeakPolarHBondContact O-CB 3.27Å; A740-S744 PolarHBondContact O-N 2.83Å
741	L	92.6	Very high	88.1	Confident	43 Å²	43	53.8 Å²	53.8	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.3	178.3	61.4	0	0	0	112.4	F697 V699 L718 D737 F738 V739 R743 S744 K745	F697-L741 HydrophobicContact CD2-CD2 3.99Å; F697-L741 HydrophobicContact CE2-CD2 3.52Å; F697-L741 HydrophobicContact CZ-CD2 4.09Å; V699-L741 HydrophobicContact CG2-CD2 3.88Å; L718-L741 HydrophobicContact CD2-CD2 4.15Å; L718-L741 HydrophobicContact CD2-CG 4.41Å; D737-L741 PolarHBondContact O-N 2.81Å; F738-L741 PolarHBondContact O-N 3.02Å; V739-L741 VanDerWaalsContact C-N 3.35Å; V739-L741 PolarHBondContact O-N 2.94Å; L741-R743 PolarHBondContact O-N 3.1Å; L741-S744 PolarHBondContact O-N 3.29Å; L741-K745 HydrophobicContact CD1-CG 4.3Å; L741-K745 PolarHBondContact O-N 3.24Å
742	V	93.9	Very high	88.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-49.2	175.4	169.6	0	0	0	0	110.5	V655 L718 F738 V739 K745 R746 M753	V655-V742 HydrophobicContact CG1-CG2 4.37Å; V655-V742 HydrophobicContact CG2-CG1 4.23Å; V655-V742 HydrophobicContact CG2-CG2 4.15Å; L718-V742 HydrophobicContact CD1-CB 4.27Å; L718-V742 HydrophobicContact CD1-CG2 3.62Å; F738-V742 HydrophobicContact CD1-CG2 4.09Å; F738-V742 HydrophobicContact CE1-CG2 3.74Å; F738-V742 HydrophobicContact CZ-CG2 4.02Å; F738-V742 VanDerWaalsContact O-CG2 3.28Å; F738-V742 WeakPolarHBondContact O-CG2 3.46Å; F738-V742 PolarHBondContact O-N 2.83Å; V739-V742 PolarHBondContact O-N 2.97Å; V742-K745 PolarHBondContact O-N 3.36Å; V742-R746 WeakPolarHBondContact O-CB 3.41Å; V742-R746 PolarHBondContact O-N 3.12Å; V742-M753 HydrophobicContact CG1-CE 3.53Å; V742-M753 HydrophobicContact CG1-SD 3.73Å
743	R	91.4	Very high	89.4	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.181	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-41.9	178.3	-68.6	177.1	83.8	-132.3	-4.1	112.1	V739 A740 L741 K745 R746 A747 E771 C775 E778	V739-R743 HydrophobicContact CG1-CG 4.38Å; V739-R743 VanDerWaalsContact O-CG 3.28Å; V739-R743 WeakPolarHBondContact O-CG 3.3Å; V739-R743 PolarHBondContact O-N 3.22Å; A740-R743 PolarHBondContact O-N 2.93Å; L741-R743 PolarHBondContact O-N 3.1Å; R743-K745 PolarHBondContact O-N 3.31Å; R743-R746 PolarHBondContact O-N 3.48Å; R743-A747 PolarHBondContact O-N 2.87Å; R743-A747 VanDerWaalsContact O-N 3.11Å; R743-E771 HydrophobicContact CG-CG 3.86Å; R743-E771 WeakPolarHBondContact CG-OE1 3.44Å; R743-C775 PolarHBondContact NH2-SG 3.06Å; R743-E778 IonicContact CZ-OE1 3.77Å; R743-E778 IonicContact CZ-OE2 2.7Å; R743-E778 IonicContact NH1-OE1 2.77Å; R743-E778 PolarHBondContact NH1-OE1 3.25Å; R743-E778 IonicContact NH1-OE2 3.6Å; R743-E778 IonicContact NH2-OE1 2.68Å; R743-E778 PolarHBondContact NH2-OE1 3.47Å; R743-E778 IonicContact NH2-OE2 3.98Å; R743-E778 PolarHBondContact NH2-OE2 2.84Å
744	S	91.6	Very high	89.9	Confident	88 Å²	88	47.5 Å²	47.5	62%	0.615	29%	0.287	S	S	*	.	H	α-helix	trans	-62.6	-41.3	177.6	178.5	0	0	0	0	112.6	A740 L741	A740-S744 WeakPolarHBondContact O-CB 3.27Å; A740-S744 PolarHBondContact O-N 2.83Å; L741-S744 PolarHBondContact O-N 3.29Å
745	K	90.6	Very high	90.3	Very high	71 Å²	71	43.9 Å²	43.9	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-76.5	-21.2	176.1	-72.3	-84.2	-167.5	165.9	0	112.7	M653 E701 L741 V742 R743	M653-K745 HydrophobicContact CE-CB 3.45Å; M653-K745 VanDerWaalsContact CE-CB 3.45Å; M653-K745 WeakPolarHBondContact CE-O 3.5Å; M653-K745 HydrophobicContact SD-CB 4.33Å; E701-K745 IonicContact OE1-NZ 2.8Å; E701-K745 PolarHBondContact OE1-NZ 3.21Å; L741-K745 HydrophobicContact CD1-CG 4.3Å; L741-K745 PolarHBondContact O-N 3.24Å; V742-K745 PolarHBondContact O-N 3.36Å; R743-K745 PolarHBondContact O-N 3.31Å
746	R	88.8	Confident	90.6	Very high	20 Å²	20	43.9 Å²	43.9	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-75.7	-31.6	174	-172.9	-162.1	-75.7	-89.2	7.6	112.2	R627 Y628 M653 V742 R743 G748 Q749 M753 E771	R627-R746 PolarHBondContact O-NH1 3.37Å; Y628-R746 VanDerWaalsContact CZ-NH2 3.34Å; M653-R746 HydrophobicContact CE-CB 4.35Å; V742-R746 WeakPolarHBondContact O-CB 3.41Å; V742-R746 PolarHBondContact O-N 3.12Å; R743-R746 PolarHBondContact O-N 3.48Å; R746-G748 PolarHBondContact O-N 2.83Å; R746-Q749 WeakPolarHBondContact O-CB 3.46Å; R746-Q749 PolarHBondContact O-N 3.17Å; R746-M753 HydrophobicContact CB-CE 3.87Å; R746-M753 HydrophobicContact CG-CE 4.05Å; R746-M753 VanDerWaalsContact NH2-CE 3.35Å; R746-M753 PolarHBondContact NH2-SD 3Å; R746-M753 VanDerWaalsContact NH2-SD 3.43Å; R746-E771 IonicContact CZ-OE1 3.15Å; R746-E771 IonicContact CZ-OE2 2.76Å; R746-E771 IonicContact NE-OE1 2.82Å; R746-E771 PolarHBondContact NE-OE1 3.44Å; R746-E771 IonicContact NE-OE2 3.7Å; R746-E771 IonicContact NH2-OE1 2.66Å; R746-E771 PolarHBondContact NH2-OE1 3.27Å; R746-E771 IonicContact NH2-OE2 2.97Å; R746-E771 PolarHBondContact NH2-OE2 3.47Å
747	A	81.9	Confident	90.7	Very high	78 Å²	78	43.3 Å²	43.3	65%	0.645	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	122.7	-171.4	0	0	0	0	0	112.8	R743	R743-A747 PolarHBondContact O-N 2.87Å; R743-A747 VanDerWaalsContact O-N 3.11Å
748	G	74.7	Confident	90.8	Very high	91 Å²	91	39.1 Å²	39.1	94%	0.938	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	1.1	-176.8	0	0	0	0	0	116	R746	R746-G748 PolarHBondContact O-N 2.83Å
749	Q	79.1	Confident	90.8	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	25%	0.248	S	C	.	.			trans	-106.2	116.1	177.2	-55.8	-173.5	-3.2	0	0	111.6	S652 R746 Q751	S652-Q749 VanDerWaalsContact OG-CD 3.29Å; S652-Q749 PolarHBondContact OG-OE1 3.07Å; R746-Q749 WeakPolarHBondContact O-CB 3.46Å; R746-Q749 PolarHBondContact O-N 3.17Å; Q749-Q751 VanDerWaalsContact C-N 3.35Å
750	D	81.8	Confident	90.8	Very high	112 Å²	112	39.7 Å²	39.7	60%	0.599	25%	0.248	S	C	*	.			trans	-84.4	-11.1	176.7	-167.2	53.7	0	0	0	113.2	R627	R627-D750 IonicContact CZ-OD1 2.88Å; R627-D750 PolarHBondContact NH1-O 3.11Å; R627-D750 IonicContact NH1-OD1 2.66Å; R627-D750 PolarHBondContact NH1-OD1 2.73Å; R627-D750 IonicContact NH1-OD2 3.53Å; R627-D750 PolarHBondContact NH1-OD2 2.81Å; R627-D750 VanDerWaalsContact NH1-OD2 3.17Å; R627-D750 IonicContact NH2-OD1 2.75Å
751	Q	89.2	Confident	91	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	23%	0.226	S	C	.	.	S	Bend	trans	-73.2	150.3	-177.9	-59.7	-61.2	-8.3	0	0	112.2	Q749 M753	Q749-Q751 VanDerWaalsContact C-N 3.35Å; Q751-M753 PolarHBondContact O-N 2.79Å
752	P	93.9	Very high	91.1	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.091	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-66.6	129.3	-179.2	26.7	-34.3	0	0	0	112.1	R627 I629 Q649 S651	R627-P752 HydrophobicContact CB-CB 4.11Å; I629-P752 HydrophobicContact CD1-CB 3.83Å; I629-P752 HydrophobicContact CD1-CG 3.77Å; I629-P752 HydrophobicContact CG1-CB 3.96Å; I629-P752 HydrophobicContact CG1-CG 4.41Å; Q649-P752 HydrophobicContact CB-CG 4.12Å; S651-P752 VanDerWaalsContact CB-O 3.31Å; S651-P752 WeakPolarHBondContact CB-O 3.16Å; S651-P752 PolarHBondContact OG-O 3.46Å
753	M	95.8	Very high	91.1	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.3	171.5	-179.4	-172.6	-68.4	0	0	110.2	R627 Y628 I629 M653 V655 V742 R746 Q751 V755	R627-M753 PolarHBondContact O-N 3.23Å; R627-M753 VanDerWaalsContact O-N 3.11Å; Y628-M753 CarbonylContact C-O 3.55Å; Y628-M753 VanDerWaalsContact CA-O 3.25Å; Y628-M753 WeakPolarHBondContact CA-O 3.33Å; I629-M753 PolarHBondContact N-O 3.44Å; M653-M753 HydrophobicContact CB-CG 4.39Å; M653-M753 HydrophobicContact CE-CE 3.9Å; M653-M753 HydrophobicContact SD-CE 3.66Å; M653-M753 HydrophobicContact SD-SD 4.33Å; V655-M753 HydrophobicContact CG2-CG 4.09Å; V655-M753 HydrophobicContact CG2-SD 3.53Å; V655-M753 VanDerWaalsContact CG2-SD 3.53Å; V742-M753 HydrophobicContact CG1-CE 3.53Å; V742-M753 HydrophobicContact CG1-SD 3.73Å; R746-M753 HydrophobicContact CB-CE 3.87Å; R746-M753 HydrophobicContact CG-CE 4.05Å; R746-M753 VanDerWaalsContact NH2-CE 3.35Å; R746-M753 PolarHBondContact NH2-SD 3Å; R746-M753 VanDerWaalsContact NH2-SD 3.43Å; Q751-M753 PolarHBondContact O-N 2.79Å; M753-V755 HydrophobicContact CG-CG2 3.99Å; M753-V755 PolarHBondContact O-N 2.81Å; M753-V755 HydrophobicContact SD-CG2 3.97Å
754	V	98.3	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.7	173.1	178.3	0	0	0	0	108.6	I629 F642 M645 M653 V654 V655	I629-V754 HydrophobicContact CB-CG2 4.32Å; I629-V754 HydrophobicContact CD1-CG2 4.41Å; F642-V754 HydrophobicContact CE2-CG1 3.77Å; F642-V754 HydrophobicContact CZ-CG1 3.94Å; M645-V754 HydrophobicContact CE-CG1 3.81Å; M645-V754 HydrophobicContact CE-CG2 3.99Å; M653-V754 PolarHBondContact O-N 3.29Å; M653-V754 VanDerWaalsContact O-N 3.08Å; V654-V754 CarbonylContact C-O 3.52Å; V654-V754 WeakPolarHBondContact CA-O 3.49Å; V654-V754 HydrophobicContact CG1-CG1 4.38Å; V654-V754 HydrophobicContact CG2-CB 4.03Å; V654-V754 HydrophobicContact CG2-CG1 4.41Å; V655-V754 PolarHBondContact N-O 2.84Å
755	V	98.2	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.6	176.7	-171.6	0	0	0	0	109.7	Y628 I629 A630 C631 V655 L657 M753 T764 L767	Y628-V755 HydrophobicContact CD1-CG2 3.87Å; I629-V755 PolarHBondContact O-N 3.17Å; A630-V755 WeakPolarHBondContact CA-O 3.35Å; C631-V755 PolarHBondContact N-O 3.07Å; C631-V755 VanDerWaalsContact N-O 3.08Å; V655-V755 HydrophobicContact CB-CG1 4.29Å; V655-V755 HydrophobicContact CB-CG2 4.29Å; V655-V755 WeakPolarHBondContact O-CA 3.22Å; L657-V755 HydrophobicContact CD1-CG1 4.03Å; M753-V755 HydrophobicContact CG-CG2 3.99Å; M753-V755 PolarHBondContact O-N 2.81Å; M753-V755 HydrophobicContact SD-CG2 3.97Å; V755-T764 HydrophobicContact CB-CG2 4.06Å; V755-T764 HydrophobicContact CG1-CG2 3.73Å; V755-L767 HydrophobicContact CG1-CD2 3.76Å; V755-L767 HydrophobicContact CG2-CD2 4.39Å
756	H	98.1	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164	176.9	77.9	94.3	0	0	0	113.1	C631 V655 M656 L657 Y671	C631-H756 WeakPolarHBondContact O-CA 3.33Å; C631-H756 WeakPolarHBondContact O-CB 3.42Å; V655-H756 PolarHBondContact O-N 2.78Å; M656-H756 WeakPolarHBondContact CB-NE2 3.35Å; M656-H756 WeakPolarHBondContact CG-CE1 3.47Å; L657-H756 PolarHBondContact N-O 3.39Å; Y671-H756 AromaticContact CE1-CE1 3.72Å; Y671-H756 AromaticContact CE1-NE2 3.49Å; Y671-H756 WeakPolarHBondContact CE1-NE2 3.44Å; Y671-H756 AromaticContact CZ-NE2 3.52Å; Y671-H756 PolarHBondContact OH-NE2 2.89Å
757	C	93.9	Very high	92.2	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	-132.4	-124.1	163.5	62.9	0	0	0	0	107.5	G633 L657 G760 R763	G633-C757 WeakPolarHBondContact CA-O 3.44Å; G633-C757 PolarHBondContact N-O 2.87Å; L657-C757 HydrophobicContact CB-CB 4.12Å; C757-G760 PolarHBondContact SG-N 2.83Å; C757-R763 HydrophobicContact CB-CB 4.06Å
758	S	94	Very high	93	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.042	13%	0.134	C	C	.	.	S	Bend	trans	-84.9	-60	165.7	-169.1	0	0	0	0	111.5	R589 Y590 Q632 G633 K667	R589-S758 WeakPolarHBondContact CD-O 2.77Å; R589-S758 WeakPolarHBondContact CD-OG 3.31Å; Y590-S758 PolarHBondContact OH-OG 3.12Å; Q632-S758 WeakPolarHBondContact CA-O 3.4Å; G633-S758 PolarHBondContact N-O 2.73Å; K667-S758 PolarHBondContact O-OG 3.49Å
759	A	93.4	Very high	94	Very high	12 Å²	12	17.4 Å²	17.4	10%	0.099	9%	0.089	C	C	.	.	S	Bend	trans	-91.8	-14.5	-179.3	0	0	0	0	0	114.2	Y590 I593 I761 R796	Y590-A759 HydrophobicContact CD2-CB 3.73Å; Y590-A759 HydrophobicContact CE2-CB 3.7Å; I593-A759 HydrophobicContact CG1-CB 4.42Å; I593-A759 HydrophobicContact CG2-CB 4.45Å; A759-I761 HydrophobicContact CB-CD1 4.25Å; A759-I761 HydrophobicContact CB-CG1 3.97Å; A759-R796 PolarHBondContact O-NH2 3.07Å
760	G	94.3	Very high	94.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	72.5	31.5	-178	0	0	0	0	0	114.8	C631 C757 R796	C631-G760 WeakPolarHBondContact O-CA 3.3Å; C757-G760 PolarHBondContact SG-N 2.83Å; G760-R796 PolarHBondContact O-NE 2.63Å
761	I	95.6	Very high	95.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.043	C	C	.	.	S	Bend	trans	-134.5	-50.5	-176.3	62.4	179.9	0	0	0	114.3	I593 A759 G765 R796 A797 M798 M799 I800	I593-I761 HydrophobicContact CD1-CD1 3.67Å; I593-I761 HydrophobicContact CG1-CD1 4.24Å; I593-I761 HydrophobicContact CG2-CD1 4.1Å; I593-I761 HydrophobicContact CG2-CG2 4.06Å; A759-I761 HydrophobicContact CB-CD1 4.25Å; A759-I761 HydrophobicContact CB-CG1 3.97Å; I761-G765 PolarHBondContact O-N 2.88Å; I761-G765 VanDerWaalsContact O-N 3.11Å; I761-R796 HydrophobicContact CG2-CG 4.45Å; I761-A797 WeakPolarHBondContact CG2-O 2.97Å; I761-M798 HydrophobicContact CD1-CB 3.96Å; I761-M799 HydrophobicContact CB-SD 4.33Å; I761-M799 HydrophobicContact CG2-SD 4.27Å; I761-M799 WeakPolarHBondContact O-CA 3.25Å; I761-I800 PolarHBondContact O-N 2.75Å
762	G	93.8	Very high	95.7	Very high	3 Å²	3	3.7 Å²	3.7	3%	0.031	2%	0.022	C	C	.	.	H	α-helix	trans	-72.9	-80.8	-173.6	0	0	0	0	0	112.5	T764 G765 V766 Q805	G762-T764 PolarHBondContact O-N 2.97Å; G762-G765 PolarHBondContact O-N 2.88Å; G762-V766 PolarHBondContact O-N 2.9Å; G762-Q805 VanDerWaalsContact CA-OE1 3.24Å
763	R	94.8	Very high	95.7	Very high	22 Å²	22	3 Å²	3	8%	0.083	2%	0.018	C	C	.	.	H	α-helix	trans	-55.1	-39.6	177.5	-59	-175.4	-93.8	-169.8	-6.7	112.5	L657 T658 E662 W723 C757 G765 V766 L767	L657-R763 HydrophobicContact CB-CB 3.93Å; L657-R763 HydrophobicContact CD1-CB 4.23Å; L657-R763 WeakPolarHBondContact CD1-O 3.34Å; L657-R763 VanDerWaalsContact O-CD 3.23Å; L657-R763 WeakPolarHBondContact O-CD 3.43Å; L657-R763 VanDerWaalsContact O-CZ 3.22Å; L657-R763 PolarHBondContact O-NE 3.26Å; L657-R763 VanDerWaalsContact O-NE 3.11Å; L657-R763 PolarHBondContact O-NH1 2.91Å; T658-R763 PolarHBondContact OG1-NH2 3.09Å; E662-R763 IonicContact OE1-CZ 2.95Å; E662-R763 IonicContact OE1-NH1 3.31Å; E662-R763 PolarHBondContact OE1-NH1 3.09Å; E662-R763 IonicContact OE1-NH2 3.19Å; E662-R763 PolarHBondContact OE1-NH2 2.84Å; E662-R763 IonicContact OE2-NH2 2.68Å; E662-R763 PolarHBondContact OE2-NH2 2.96Å; W723-R763 HydrophobicContact CD2-CB 4.37Å; W723-R763 VanDerWaalsContact CD2-CD 3.45Å; W723-R763 HydrophobicContact CD2-CG 3.77Å; W723-R763 HydrophobicContact CE3-CB 4.28Å; W723-R763 HydrophobicContact CE3-CG 4.19Å; W723-R763 VanDerWaalsContact CG-CD 3.43Å; W723-R763 HydrophobicContact CG-CG 4.23Å; W723-R763 HydrophobicContact CH2-CB 4.24Å; W723-R763 HydrophobicContact CH2-CG 4.27Å; W723-R763 HydrophobicContact CZ2-CB 4.32Å; W723-R763 HydrophobicContact CZ2-CG 3.86Å; W723-R763 HydrophobicContact CZ3-CB 4.21Å; W723-R763 HydrophobicContact CZ3-CG 4.42Å; C757-R763 HydrophobicContact CB-CB 4.06Å; R763-G765 PolarHBondContact O-N 3.33Å; R763-V766 PolarHBondContact O-N 2.83Å; R763-L767 PolarHBondContact O-N 2.83Å; R763-L767 VanDerWaalsContact O-N 3.11Å
764	T	96.3	Very high	95.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-56.3	-44.6	173.6	-54.2	0	0	0	0	112.5	A630 V755 G762 L767 I768 M799	A630-T764 HydrophobicContact CB-CG2 3.9Å; V755-T764 HydrophobicContact CB-CG2 4.06Å; V755-T764 HydrophobicContact CG1-CG2 3.73Å; G762-T764 PolarHBondContact O-N 2.97Å; T764-L767 PolarHBondContact O-N 3.11Å; T764-I768 HydrophobicContact CG2-CD1 4.04Å; T764-I768 VanDerWaalsContact O-CG1 3.31Å; T764-I768 WeakPolarHBondContact O-CG1 3.38Å; T764-I768 PolarHBondContact O-N 2.92Å; T764-M799 HydrophobicContact CG2-CE 4.07Å
765	G	96.8	Very high	95.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.7	-37.1	175.7	0	0	0	0	0	113.2	I761 G762 R763 L767 I768 T769	I761-G765 PolarHBondContact O-N 2.88Å; I761-G765 VanDerWaalsContact O-N 3.11Å; G762-G765 PolarHBondContact O-N 2.88Å; R763-G765 PolarHBondContact O-N 3.33Å; G765-L767 PolarHBondContact O-N 2.93Å; G765-I768 PolarHBondContact O-N 2.85Å; G765-T769 WeakPolarHBondContact O-CB 3.09Å; G765-T769 PolarHBondContact O-N 2.81Å; G765-T769 PolarHBondContact O-OG1 3.21Å; G765-T769 VanDerWaalsContact O-OG1 3.06Å
766	V	96.7	Very high	94.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.1	-43.2	177.1	179.3	0	0	0	0	111.5	W723 F735 G762 R763 T769 M770 I800 Q805 F808 V809	W723-V766 HydrophobicContact CH2-CB 3.83Å; W723-V766 HydrophobicContact CH2-CG1 3.74Å; W723-V766 HydrophobicContact CH2-CG2 4.24Å; W723-V766 HydrophobicContact CZ2-CG2 4.47Å; F735-V766 HydrophobicContact CE1-CG1 3.93Å; F735-V766 HydrophobicContact CZ-CG1 3.84Å; G762-V766 PolarHBondContact O-N 2.9Å; R763-V766 PolarHBondContact O-N 2.83Å; V766-T769 PolarHBondContact O-N 3.5Å; V766-M770 WeakPolarHBondContact O-CG 3.15Å; V766-M770 PolarHBondContact O-N 2.79Å; V766-I800 HydrophobicContact CG2-CD1 4.21Å; V766-I800 HydrophobicContact CG2-CG1 4.33Å; V766-Q805 HydrophobicContact CG2-CB 3.81Å; V766-Q805 HydrophobicContact CG2-CG 4.29Å; V766-F808 HydrophobicContact CG1-CD1 3.99Å; V766-F808 HydrophobicContact CG1-CE1 4.14Å; V766-V809 HydrophobicContact CG1-CB 4Å; V766-V809 HydrophobicContact CG1-CG2 3.84Å
767	L	96.8	Very high	94.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.7	-51.2	175.3	175.9	63.4	0	0	0	112	V655 L657 V739 V755 R763 T764 G765 T769 M770 E771	V655-L767 HydrophobicContact CB-CD2 4.23Å; V655-L767 HydrophobicContact CG1-CD2 3.57Å; L657-L767 HydrophobicContact CD1-CB 3.73Å; L657-L767 HydrophobicContact CD1-CD2 3.95Å; L657-L767 HydrophobicContact CD1-CG 4.47Å; L657-L767 HydrophobicContact CD2-CD2 4.3Å; L657-L767 HydrophobicContact CG-CD2 4.46Å; V739-L767 HydrophobicContact CG2-CD1 3.76Å; V755-L767 HydrophobicContact CG1-CD2 3.76Å; V755-L767 HydrophobicContact CG2-CD2 4.39Å; R763-L767 PolarHBondContact O-N 2.83Å; R763-L767 VanDerWaalsContact O-N 3.11Å; T764-L767 PolarHBondContact O-N 3.11Å; G765-L767 PolarHBondContact O-N 2.93Å; L767-T769 VanDerWaalsContact C-N 3.3Å; L767-T769 PolarHBondContact O-N 3.47Å; L767-M770 PolarHBondContact O-N 2.77Å; L767-E771 PolarHBondContact O-N 2.76Å
768	I	97.1	Very high	94.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.7	-39.4	-178	-64.1	170	0	0	0	110.6	I615 M617 Y628 T764 G765 T772 M792 M799	I615-I768 HydrophobicContact CD1-CD1 4.16Å; M617-I768 HydrophobicContact CG-CG2 3.71Å; M617-I768 HydrophobicContact SD-CG2 4.26Å; Y628-I768 HydrophobicContact CD1-CD1 4.13Å; Y628-I768 HydrophobicContact CD1-CG1 3.73Å; Y628-I768 HydrophobicContact CD2-CG2 4.26Å; Y628-I768 HydrophobicContact CE1-CB 4.35Å; Y628-I768 HydrophobicContact CE1-CG1 3.66Å; Y628-I768 HydrophobicContact CE1-CG2 4.34Å; Y628-I768 HydrophobicContact CE2-CG2 3.85Å; Y628-I768 HydrophobicContact CG-CD1 4.15Å; Y628-I768 HydrophobicContact CG-CG1 4.15Å; T764-I768 HydrophobicContact CG2-CD1 4.04Å; T764-I768 VanDerWaalsContact O-CG1 3.31Å; T764-I768 WeakPolarHBondContact O-CG1 3.38Å; T764-I768 PolarHBondContact O-N 2.92Å; G765-I768 PolarHBondContact O-N 2.85Å; I768-T772 VanDerWaalsContact O-CB 3.28Å; I768-T772 WeakPolarHBondContact O-CB 3.2Å; I768-T772 PolarHBondContact O-N 2.81Å; I768-T772 PolarHBondContact O-OG1 2.87Å; I768-M792 HydrophobicContact CB-SD 3.66Å; I768-M792 HydrophobicContact CD1-SD 4.42Å; I768-M792 HydrophobicContact CG2-CG 4.12Å; I768-M792 HydrophobicContact CG2-SD 3.49Å; I768-M792 WeakPolarHBondContact CG2-SD 3.48Å; I768-M799 HydrophobicContact CD1-CE 3.85Å
769	T	97.1	Very high	93.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-49.5	174.4	-66.8	0	0	0	0	111.5	G765 V766 L767 E771 T772 S773 I788 M792 V809 I813	G765-T769 WeakPolarHBondContact O-CB 3.09Å; G765-T769 PolarHBondContact O-N 2.81Å; G765-T769 PolarHBondContact O-OG1 3.21Å; G765-T769 VanDerWaalsContact O-OG1 3.06Å; V766-T769 PolarHBondContact O-N 3.5Å; L767-T769 VanDerWaalsContact C-N 3.3Å; L767-T769 PolarHBondContact O-N 3.47Å; T769-E771 PolarHBondContact O-N 2.93Å; T769-T772 PolarHBondContact O-N 3.37Å; T769-S773 WeakPolarHBondContact O-CB 3.43Å; T769-S773 PolarHBondContact O-N 3.22Å; T769-S773 PolarHBondContact O-OG 3.48Å; T769-S773 VanDerWaalsContact O-OG 3.1Å; T769-I788 HydrophobicContact CG2-CG2 4.02Å; T769-M792 WeakPolarHBondContact OG1-CE 3.36Å; T769-V809 HydrophobicContact CG2-CB 4.46Å; T769-V809 HydrophobicContact CG2-CG1 3.91Å; T769-V809 HydrophobicContact CG2-CG2 3.62Å; T769-I813 HydrophobicContact CG2-CD1 4.19Å
770	M	96	Very high	93.3	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-58.9	-49.7	177.5	-73.6	-50.4	-59.3	0	0	112.4	F735 L736 V739 V766 L767 T772 S773 L774 V809 A812 I813 V816	F735-M770 HydrophobicContact CE1-CG 3.56Å; F735-M770 HydrophobicContact CZ-CG 3.95Å; L736-M770 HydrophobicContact CD2-CE 3.65Å; V739-M770 HydrophobicContact CG1-CB 4.38Å; V739-M770 HydrophobicContact CG2-CB 4.23Å; V766-M770 WeakPolarHBondContact O-CG 3.15Å; V766-M770 PolarHBondContact O-N 2.79Å; L767-M770 PolarHBondContact O-N 2.77Å; M770-T772 VanDerWaalsContact C-N 3.28Å; M770-T772 PolarHBondContact O-N 3.14Å; M770-S773 PolarHBondContact O-N 3.44Å; M770-L774 VanDerWaalsContact O-CG 3.25Å; M770-L774 WeakPolarHBondContact O-CG 3.33Å; M770-L774 PolarHBondContact O-N 3.16Å; M770-V809 HydrophobicContact CG-CG2 3.72Å; M770-V809 HydrophobicContact SD-CG2 3.41Å; M770-V809 WeakPolarHBondContact SD-CG2 3.27Å; M770-A812 HydrophobicContact CE-CB 3.97Å; M770-A812 HydrophobicContact SD-CB 3.82Å; M770-I813 HydrophobicContact CE-CG1 4.07Å; M770-I813 HydrophobicContact SD-CD1 4.45Å; M770-I813 HydrophobicContact SD-CG1 3.73Å; M770-V816 HydrophobicContact CE-CG2 4.46Å
771	E	94.4	Very high	93	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-39.1	-178.6	-177.7	166.6	-150.7	0	0	111.6	Y628 R743 R746 L767 T769 C775	Y628-E771 VanDerWaalsContact CE1-OE2 3.23Å; Y628-E771 WeakPolarHBondContact CE1-OE2 3.4Å; Y628-E771 WeakPolarHBondContact OH-CG 3.46Å; Y628-E771 PolarHBondContact OH-OE2 2.95Å; R743-E771 HydrophobicContact CG-CG 3.86Å; R743-E771 WeakPolarHBondContact CG-OE1 3.44Å; R746-E771 IonicContact CZ-OE1 3.15Å; R746-E771 IonicContact CZ-OE2 2.76Å; R746-E771 IonicContact NE-OE1 2.82Å; R746-E771 PolarHBondContact NE-OE1 3.44Å; R746-E771 IonicContact NE-OE2 3.7Å; R746-E771 IonicContact NH2-OE1 2.66Å; R746-E771 PolarHBondContact NH2-OE1 3.27Å; R746-E771 IonicContact NH2-OE2 2.97Å; R746-E771 PolarHBondContact NH2-OE2 3.47Å; L767-E771 PolarHBondContact O-N 2.76Å; T769-E771 PolarHBondContact O-N 2.93Å; E771-C775 PolarHBondContact O-N 2.96Å
772	T	94.1	Very high	92.7	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.025	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-47.3	174.4	-55	0	0	0	0	111.9	M617 I619 I768 T769 M770 L774 C775 L776 I788	M617-T772 HydrophobicContact CB-CG2 4.31Å; M617-T772 HydrophobicContact CE-CG2 4.01Å; I619-T772 HydrophobicContact CD1-CG2 3.97Å; I768-T772 VanDerWaalsContact O-CB 3.28Å; I768-T772 WeakPolarHBondContact O-CB 3.2Å; I768-T772 PolarHBondContact O-N 2.81Å; I768-T772 PolarHBondContact O-OG1 2.87Å; T769-T772 PolarHBondContact O-N 3.37Å; M770-T772 VanDerWaalsContact C-N 3.28Å; M770-T772 PolarHBondContact O-N 3.14Å; T772-L774 VanDerWaalsContact C-N 3.34Å; T772-L774 PolarHBondContact O-N 2.83Å; T772-C775 PolarHBondContact O-N 3.31Å; T772-L776 HydrophobicContact CG2-CD1 4.17Å; T772-L776 WeakPolarHBondContact O-CG 3.39Å; T772-L776 PolarHBondContact O-N 3.2Å; T772-I788 HydrophobicContact CG2-CD1 4.19Å; T772-I788 HydrophobicContact CG2-CG1 4.23Å; T772-I788 HydrophobicContact CG2-CG2 4.13Å
773	S	94.4	Very high	92.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.1	-39.7	178.4	-68.6	0	0	0	0	112.6	T769 M770 L776 M777 V783 I788 I813	T769-S773 WeakPolarHBondContact O-CB 3.43Å; T769-S773 PolarHBondContact O-N 3.22Å; T769-S773 PolarHBondContact O-OG 3.48Å; T769-S773 VanDerWaalsContact O-OG 3.1Å; M770-S773 PolarHBondContact O-N 3.44Å; S773-L776 PolarHBondContact O-N 3.35Å; S773-M777 WeakPolarHBondContact O-CG 3.38Å; S773-M777 PolarHBondContact O-N 2.9Å; S773-V783 VanDerWaalsContact OG-CG1 3.27Å; S773-V783 WeakPolarHBondContact OG-CG1 3.34Å; S773-I788 WeakPolarHBondContact OG-CD1 3.2Å; S773-I813 WeakPolarHBondContact OG-CD1 3.44Å
774	L	92.3	Very high	92.7	Very high	13 Å²	13	14.2 Å²	14.2	7%	0.068	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.1	-68.5	169.7	0	0	0	111.5	V739 M770 T772 L776 M777 E778 V816	V739-L774 HydrophobicContact CG1-CD1 3.54Å; M770-L774 VanDerWaalsContact O-CG 3.25Å; M770-L774 WeakPolarHBondContact O-CG 3.33Å; M770-L774 PolarHBondContact O-N 3.16Å; T772-L774 VanDerWaalsContact C-N 3.34Å; T772-L774 PolarHBondContact O-N 2.83Å; L774-L776 VanDerWaalsContact C-N 3.29Å; L774-L776 PolarHBondContact O-N 3.15Å; L774-M777 PolarHBondContact O-N 3.46Å; L774-E778 VanDerWaalsContact O-CG 3.26Å; L774-E778 WeakPolarHBondContact O-CG 3.44Å; L774-E778 PolarHBondContact O-N 3.16Å; L774-V816 HydrophobicContact CD2-CB 4.42Å; L774-V816 HydrophobicContact CD2-CG1 3.58Å; L774-V816 HydrophobicContact CD2-CG2 4.36Å
775	C	90.6	Very high	92.6	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.061	8%	0.082	C	C	.	.	H	α-helix	trans	-60.2	-37.4	175.5	-75.6	0	0	0	0	112.7	I619 R743 E771 T772 C779	I619-C775 HydrophobicContact CD1-CB 3.71Å; I619-C775 HydrophobicContact CG1-CB 3.91Å; I619-C775 HydrophobicContact CG2-CB 4.46Å; R743-C775 PolarHBondContact NH2-SG 3.06Å; E771-C775 PolarHBondContact O-N 2.96Å; T772-C775 PolarHBondContact O-N 3.31Å; C775-C779 PolarHBondContact O-N 2.87Å; C775-C779 PolarHBondContact O-SG 3.17Å; C775-C779 VanDerWaalsContact O-SG 3.35Å
776	L	90.6	Very high	92.4	Very high	19 Å²	19	16.6 Å²	16.6	10%	0.099	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-46.1	174.8	-71.1	167.2	0	0	0	111.8	I619 T772 S773 L774 E778 C779 G780 Q781 V783 I788	I619-L776 HydrophobicContact CD1-CD2 4.39Å; I619-L776 HydrophobicContact CD1-CG 4.24Å; I619-L776 HydrophobicContact CG2-CD2 4.23Å; T772-L776 HydrophobicContact CG2-CD1 4.17Å; T772-L776 WeakPolarHBondContact O-CG 3.39Å; T772-L776 PolarHBondContact O-N 3.2Å; S773-L776 PolarHBondContact O-N 3.35Å; L774-L776 VanDerWaalsContact C-N 3.29Å; L774-L776 PolarHBondContact O-N 3.15Å; L776-E778 PolarHBondContact O-N 3.02Å; L776-C779 CarbonylContact O-C 3.56Å; L776-C779 PolarHBondContact O-N 3.36Å; L776-G780 PolarHBondContact O-N 2.88Å; L776-Q781 HydrophobicContact CB-CB 4.22Å; L776-Q781 HydrophobicContact CD2-CB 3.78Å; L776-Q781 HydrophobicContact CD2-CG 4.32Å; L776-Q781 PolarHBondContact O-N 3.42Å; L776-V783 HydrophobicContact CB-CG2 3.89Å; L776-I788 HydrophobicContact CD1-CD1 3.91Å; L776-I788 HydrophobicContact CD1-CG1 4.44Å
777	M	90.1	Very high	92.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-43.7	176.2	-69.2	173.7	-170.3	0	0	112.6	L544 M548 S773 L774 C779 G780 V783 I813 V816 F822	L544-M777 HydrophobicContact CD1-CG 4.14Å; M548-M777 HydrophobicContact CE-CE 3.5Å; M548-M777 HydrophobicContact CE-CG 4.21Å; M548-M777 HydrophobicContact SD-CE 4.38Å; S773-M777 WeakPolarHBondContact O-CG 3.38Å; S773-M777 PolarHBondContact O-N 2.9Å; L774-M777 PolarHBondContact O-N 3.46Å; M777-C779 VanDerWaalsContact C-N 3.25Å; M777-C779 PolarHBondContact O-N 3.2Å; M777-G780 PolarHBondContact O-N 2.9Å; M777-V783 HydrophobicContact CG-CG2 3.96Å; M777-I813 HydrophobicContact CE-CB 4.3Å; M777-I813 HydrophobicContact CE-CG2 3.52Å; M777-I813 WeakPolarHBondContact CE-O 3.37Å; M777-V816 HydrophobicContact SD-CG1 4.03Å; M777-F822 HydrophobicContact CB-CB 4.48Å; M777-F822 HydrophobicContact CB-CD1 4.4Å; M777-F822 HydrophobicContact CB-CD2 3.85Å; M777-F822 HydrophobicContact CB-CE2 4.12Å; M777-F822 HydrophobicContact CB-CG 4Å; M777-F822 HydrophobicContact SD-CD1 4.09Å; M777-F822 HydrophobicContact SD-CG 4.38Å
778	E	88.3	Confident	92.2	Very high	34 Å²	34	19.8 Å²	19.8	16%	0.159	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-29.4	-179.5	-69.2	172.4	176.1	0	0	112.7	R743 L774 L776 F822 K823 Q825	R743-E778 IonicContact CZ-OE1 3.77Å; R743-E778 IonicContact CZ-OE2 2.7Å; R743-E778 IonicContact NH1-OE1 2.77Å; R743-E778 PolarHBondContact NH1-OE1 3.25Å; R743-E778 IonicContact NH1-OE2 3.6Å; R743-E778 IonicContact NH2-OE1 2.68Å; R743-E778 PolarHBondContact NH2-OE1 3.47Å; R743-E778 IonicContact NH2-OE2 3.98Å; R743-E778 PolarHBondContact NH2-OE2 2.84Å; L774-E778 VanDerWaalsContact O-CG 3.26Å; L774-E778 WeakPolarHBondContact O-CG 3.44Å; L774-E778 PolarHBondContact O-N 3.16Å; L776-E778 PolarHBondContact O-N 3.02Å; E778-F822 HydrophobicContact CG-CB 4.09Å; E778-F822 HydrophobicContact CG-CD2 4.38Å; E778-K823 WeakPolarHBondContact CG-O 3.33Å; E778-Q825 PolarHBondContact O-N 2.92Å
779	C	85.8	Confident	92.2	Very high	21 Å²	21	19.8 Å²	19.8	14%	0.142	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.9	172.4	-58.6	0	0	0	0	113.7	A621 C775 L776 M777 Q781 Q825	A621-C779 HydrophobicContact CB-CB 4.06Å; C775-C779 PolarHBondContact O-N 2.87Å; C775-C779 PolarHBondContact O-SG 3.17Å; C775-C779 VanDerWaalsContact O-SG 3.35Å; L776-C779 CarbonylContact O-C 3.56Å; L776-C779 PolarHBondContact O-N 3.36Å; M777-C779 VanDerWaalsContact C-N 3.25Å; M777-C779 PolarHBondContact O-N 3.2Å; C779-Q781 HydrophobicContact CB-CG 4.16Å; C779-Q781 PolarHBondContact O-N 2.8Å; C779-Q781 VanDerWaalsContact O-N 3.15Å; C779-Q781 PolarHBondContact O-NE2 3.11Å; C779-Q825 PolarHBondContact SG-OE1 3.35Å
780	G	84.3	Confident	92.1	Very high	34 Å²	34	25.4 Å²	25.4	35%	0.351	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	15.6	-179.9	0	0	0	0	0	115.2	L776 M777	L776-G780 PolarHBondContact O-N 2.88Å; M777-G780 PolarHBondContact O-N 2.9Å
781	Q	87.1	Confident	92.1	Very high	35 Å²	35	28.3 Å²	28.3	16%	0.164	15%	0.148	C	C	.	.			trans	-83.4	147.8	-178	-63.5	-56.2	-73.3	0	0	111.6	L544 A621 L776 C779	L544-Q781 WeakPolarHBondContact CD1-O 3.16Å; A621-Q781 HydrophobicContact CB-CG 3.67Å; L776-Q781 HydrophobicContact CB-CB 4.22Å; L776-Q781 HydrophobicContact CD2-CB 3.78Å; L776-Q781 HydrophobicContact CD2-CG 4.32Å; L776-Q781 PolarHBondContact O-N 3.42Å; C779-Q781 HydrophobicContact CB-CG 4.16Å; C779-Q781 PolarHBondContact O-N 2.8Å; C779-Q781 VanDerWaalsContact O-N 3.15Å; C779-Q781 PolarHBondContact O-NE2 3.11Å
782	P	89.8	Confident	92.3	Very high	36 Å²	36	28.2 Å²	28.2	23%	0.234	15%	0.148	C	C	.	.			trans	-62.3	146	173.9	28.4	-35.7	0	0	0	111.6	Y784	P782-Y784 HydrophobicContact CB-CD2 4.45Å; P782-Y784 HydrophobicContact CB-CE2 3.69Å; P782-Y784 HydrophobicContact CG-CE2 3.98Å
783	V	93.6	Very high	92.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.148	C	C	.	.			trans	-114.6	112.1	-177.6	-174.5	0	0	0	0	109.9	L544 S547 M548 S773 L776 M777 P785 I788 I813	L544-V783 HydrophobicContact CD1-CG2 4.07Å; S547-V783 PolarHBondContact OG-N 2.95Å; M548-V783 HydrophobicContact CE-CB 3.57Å; M548-V783 HydrophobicContact CE-CG1 4.37Å; M548-V783 HydrophobicContact CE-CG2 3.55Å; S773-V783 VanDerWaalsContact OG-CG1 3.27Å; S773-V783 WeakPolarHBondContact OG-CG1 3.34Å; L776-V783 HydrophobicContact CB-CG2 3.89Å; M777-V783 HydrophobicContact CG-CG2 3.96Å; V783-P785 WeakPolarHBondContact O-CD 3.22Å; V783-I788 HydrophobicContact CG1-CD1 4.07Å; V783-I813 HydrophobicContact CG1-CG2 4.23Å
784	Y	94.3	Very high	92.5	Very high	87 Å²	87	29.8 Å²	29.8	34%	0.341	16%	0.156	S	C	.	.			trans	-114.4	97.7	174.8	-58.5	-66.7	0	0	0	109.8	P782 L786 D787 I788	P782-Y784 HydrophobicContact CB-CD2 4.45Å; P782-Y784 HydrophobicContact CB-CE2 3.69Å; P782-Y784 HydrophobicContact CG-CE2 3.98Å; Y784-L786 PolarHBondContact O-N 3.26Å; Y784-L786 VanDerWaalsContact O-N 3.14Å; Y784-D787 VanDerWaalsContact CB-OD2 3.3Å; Y784-D787 WeakPolarHBondContact CB-OD2 3.4Å; Y784-D787 PolarHBondContact O-N 2.85Å; Y784-D787 VanDerWaalsContact O-N 3.1Å; Y784-I788 WeakPolarHBondContact O-CG1 3.25Å; Y784-I788 PolarHBondContact O-N 2.96Å
785	P	94.4	Very high	92.7	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-28.8	-176.1	-27.8	37.3	0	0	0	113.9	L551 V783 I788 V789 Y806 I813	L551-P785 HydrophobicContact CD1-CG 3.9Å; L551-P785 HydrophobicContact CD2-CG 4.39Å; V783-P785 WeakPolarHBondContact O-CD 3.22Å; P785-I788 PolarHBondContact O-N 2.78Å; P785-V789 VanDerWaalsContact O-CG2 3.31Å; P785-V789 WeakPolarHBondContact O-CG2 3.16Å; P785-V789 PolarHBondContact O-N 2.99Å; P785-Y806 HydrophobicContact CB-CE2 3.88Å; P785-I813 HydrophobicContact CB-CD1 4.36Å; P785-I813 HydrophobicContact CG-CD1 3.8Å
786	L	93.6	Very high	93	Very high	43 Å²	43	30.2 Å²	30.2	23%	0.225	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-42	177.9	-165.3	71.9	0	0	0	111.5	Q563 F564 L567 Y784 V789 R790 Y806	Q563-L786 HydrophobicContact CB-CD1 4.22Å; Q563-L786 HydrophobicContact CB-CD2 3.92Å; F564-L786 HydrophobicContact CB-CD1 4.41Å; L567-L786 HydrophobicContact CB-CD1 4.22Å; L567-L786 HydrophobicContact CD2-CD1 4.03Å; Y784-L786 PolarHBondContact O-N 3.26Å; Y784-L786 VanDerWaalsContact O-N 3.14Å; L786-V789 PolarHBondContact O-N 3.41Å; L786-R790 WeakPolarHBondContact O-CB 3.25Å; L786-R790 PolarHBondContact O-N 2.93Å; L786-Y806 VanDerWaalsContact CA-OH 3.31Å; L786-Y806 WeakPolarHBondContact CA-OH 3.26Å; L786-Y806 WeakPolarHBondContact CB-OH 3.47Å; L786-Y806 PolarHBondContact N-OH 3.45Å
787	D	93.4	Very high	93.2	Very high	56 Å²	56	29.4 Å²	29.4	30%	0.299	15%	0.153	S	C	.	.	H	α-helix	trans	-69.7	-39.4	177.3	-70.1	-47.8	0	0	0	112.2	Y784 V789 R790 T791	Y784-D787 VanDerWaalsContact CB-OD2 3.3Å; Y784-D787 WeakPolarHBondContact CB-OD2 3.4Å; Y784-D787 PolarHBondContact O-N 2.85Å; Y784-D787 VanDerWaalsContact O-N 3.1Å; D787-V789 VanDerWaalsContact C-N 3.3Å; D787-V789 PolarHBondContact O-N 2.81Å; D787-R790 WeakPolarHBondContact O-CB 3.32Å; D787-R790 PolarHBondContact O-N 2.99Å; D787-R790 IonicContact OD1-CZ 2.93Å; D787-R790 VanDerWaalsContact OD1-CZ 3.26Å; D787-R790 IonicContact OD1-NE 2.95Å; D787-R790 PolarHBondContact OD1-NE 2.87Å; D787-R790 IonicContact OD1-NH2 2.6Å; D787-R790 PolarHBondContact OD1-NH2 3.37Å; D787-T791 WeakPolarHBondContact O-CB 3.49Å; D787-T791 PolarHBondContact O-N 2.81Å; D787-T791 PolarHBondContact O-OG1 2.86Å
788	I	95.8	Very high	93.3	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-44.2	173.9	-62	171.5	0	0	0	109.9	M617 T769 T772 S773 L776 V783 Y784 P785 M792	M617-I788 HydrophobicContact CE-CG2 3.81Å; T769-I788 HydrophobicContact CG2-CG2 4.02Å; T772-I788 HydrophobicContact CG2-CD1 4.19Å; T772-I788 HydrophobicContact CG2-CG1 4.23Å; T772-I788 HydrophobicContact CG2-CG2 4.13Å; S773-I788 WeakPolarHBondContact OG-CD1 3.2Å; L776-I788 HydrophobicContact CD1-CD1 3.91Å; L776-I788 HydrophobicContact CD1-CG1 4.44Å; V783-I788 HydrophobicContact CG1-CD1 4.07Å; Y784-I788 WeakPolarHBondContact O-CG1 3.25Å; Y784-I788 PolarHBondContact O-N 2.96Å; P785-I788 PolarHBondContact O-N 2.78Å; I788-M792 WeakPolarHBondContact O-CG 3.45Å; I788-M792 PolarHBondContact O-N 3.39Å; I788-M792 VanDerWaalsContact O-N 3.08Å
789	V	96.4	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-39.1	175.4	176.5	0	0	0	0	112	F564 L567 P785 L786 D787 M792 R793 I800 Y806	F564-V789 HydrophobicContact CE2-CG1 4.27Å; L567-V789 HydrophobicContact CD2-CB 4.08Å; L567-V789 HydrophobicContact CD2-CG1 3.67Å; P785-V789 VanDerWaalsContact O-CG2 3.31Å; P785-V789 WeakPolarHBondContact O-CG2 3.16Å; P785-V789 PolarHBondContact O-N 2.99Å; L786-V789 PolarHBondContact O-N 3.41Å; D787-V789 VanDerWaalsContact C-N 3.3Å; D787-V789 PolarHBondContact O-N 2.81Å; V789-M792 HydrophobicContact CB-CE 4.4Å; V789-M792 HydrophobicContact CG2-CE 3.98Å; V789-M792 PolarHBondContact O-N 2.87Å; V789-R793 HydrophobicContact CG1-CG 4.16Å; V789-R793 WeakPolarHBondContact O-CB 3.47Å; V789-R793 VanDerWaalsContact O-CG 3.31Å; V789-R793 WeakPolarHBondContact O-CG 3.5Å; V789-R793 PolarHBondContact O-N 2.98Å; V789-I800 HydrophobicContact CG2-CD1 3.64Å; V789-I800 HydrophobicContact CG2-CG1 4.13Å; V789-Y806 HydrophobicContact CG2-CD2 4.11Å; V789-Y806 HydrophobicContact CG2-CE2 3.92Å
790	R	95.8	Very high	94.2	Very high	119 Å²	119	28 Å²	28	45%	0.449	14%	0.144	S	C	.	.	H	α-helix	trans	-57.4	-52.4	174.6	-175.7	168.6	59.9	152	-3.3	111.1	L567 Y568 L786 D787 M792 R793 D794	L567-R790 HydrophobicContact CD1-CB 4.03Å; L567-R790 HydrophobicContact CD1-CG 4.13Å; L567-R790 HydrophobicContact CD2-CB 4.47Å; Y568-R790 HydrophobicContact CE1-CG 4.24Å; Y568-R790 VanDerWaalsContact OH-CG 3.29Å; Y568-R790 WeakPolarHBondContact OH-CG 3.47Å; L786-R790 WeakPolarHBondContact O-CB 3.25Å; L786-R790 PolarHBondContact O-N 2.93Å; D787-R790 WeakPolarHBondContact O-CB 3.32Å; D787-R790 PolarHBondContact O-N 2.99Å; D787-R790 IonicContact OD1-CZ 2.93Å; D787-R790 VanDerWaalsContact OD1-CZ 3.26Å; D787-R790 IonicContact OD1-NE 2.95Å; D787-R790 PolarHBondContact OD1-NE 2.87Å; D787-R790 IonicContact OD1-NH2 2.6Å; D787-R790 PolarHBondContact OD1-NH2 3.37Å; R790-M792 VanDerWaalsContact C-N 3.31Å; R790-M792 PolarHBondContact O-N 3.21Å; R790-R793 PolarHBondContact O-N 3.45Å; R790-D794 PolarHBondContact O-N 2.88Å
791	T	96	Very high	94.4	Very high	61 Å²	61	31.4 Å²	31.4	37%	0.374	15%	0.151	S	C	.	.	H	α-helix	trans	-59.4	-36.9	177.2	-59.3	0	0	0	0	113	M617 D787 Q795	M617-T791 HydrophobicContact CE-CG2 4Å; M617-T791 HydrophobicContact SD-CG2 4.1Å; D787-T791 WeakPolarHBondContact O-CB 3.49Å; D787-T791 PolarHBondContact O-N 2.81Å; D787-T791 PolarHBondContact O-OG1 2.86Å; T791-Q795 PolarHBondContact O-NE2 3.04Å
792	M	97.3	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.3	-41.4	171.1	-72.7	-167	-64.7	0	0	112.5	I615 M617 I768 T769 I788 V789 R790 D794 Q795 R796 M799 I800	I615-M792 HydrophobicContact CG2-CG 4.15Å; M617-M792 HydrophobicContact CE-CG 4.13Å; M617-M792 HydrophobicContact SD-CG 3.74Å; I768-M792 HydrophobicContact CB-SD 3.66Å; I768-M792 HydrophobicContact CD1-SD 4.42Å; I768-M792 HydrophobicContact CG2-CG 4.12Å; I768-M792 HydrophobicContact CG2-SD 3.49Å; I768-M792 WeakPolarHBondContact CG2-SD 3.48Å; T769-M792 WeakPolarHBondContact OG1-CE 3.36Å; I788-M792 WeakPolarHBondContact O-CG 3.45Å; I788-M792 PolarHBondContact O-N 3.39Å; I788-M792 VanDerWaalsContact O-N 3.08Å; V789-M792 HydrophobicContact CB-CE 4.4Å; V789-M792 HydrophobicContact CG2-CE 3.98Å; V789-M792 PolarHBondContact O-N 2.87Å; R790-M792 VanDerWaalsContact C-N 3.31Å; R790-M792 PolarHBondContact O-N 3.21Å; M792-D794 PolarHBondContact O-N 3.12Å; M792-Q795 PolarHBondContact O-N 3.43Å; M792-R796 PolarHBondContact O-N 3.13Å; M792-M799 HydrophobicContact CB-CB 3.8Å; M792-M799 HydrophobicContact CB-CG 4.01Å; M792-M799 HydrophobicContact CE-CB 4.24Å; M792-M799 HydrophobicContact SD-CB 4.38Å; M792-M799 HydrophobicContact SD-CE 3.85Å; M792-I800 HydrophobicContact CE-CD1 4.46Å; M792-I800 HydrophobicContact CE-CG1 4.25Å
793	R	97.1	Very high	94.5	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-69.6	-19.8	-177.5	-76.4	-171.8	-176.4	172.8	5.5	114	L567 Y568 Y596 V789 R790 Q795 R796 M799 I800	L567-R793 PolarHBondContact O-NH1 3.26Å; Y568-R793 HydrophobicContact CE2-CB 4.26Å; Y568-R793 WeakPolarHBondContact O-CD 3.28Å; Y568-R793 PolarHBondContact O-NH1 2.98Å; Y596-R793 VanDerWaalsContact CE2-O 3.25Å; Y596-R793 WeakPolarHBondContact CE2-O 3.39Å; Y596-R793 PolarHBondContact OH-O 3.06Å; V789-R793 HydrophobicContact CG1-CG 4.16Å; V789-R793 WeakPolarHBondContact O-CB 3.47Å; V789-R793 VanDerWaalsContact O-CG 3.31Å; V789-R793 WeakPolarHBondContact O-CG 3.5Å; V789-R793 PolarHBondContact O-N 2.98Å; R790-R793 PolarHBondContact O-N 3.45Å; R793-Q795 VanDerWaalsContact C-N 3.3Å; R793-R796 VanDerWaalsContact CA-O 3.3Å; R793-R796 WeakPolarHBondContact CA-O 3.48Å; R793-M799 HydrophobicContact CG-CB 4.15Å; R793-M799 PolarHBondContact NE-O 3Å; R793-M799 PolarHBondContact NH2-O 3.04Å; R793-I800 PolarHBondContact NH2-O 3.5Å; R793-I800 VanDerWaalsContact NH2-O 3.07Å
794	D	95.5	Very high	94.4	Very high	33 Å²	33	35.6 Å²	35.6	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.7	169	-76	-5.4	0	0	0	113.8	Y568 R571 M574 R790 M792	Y568-D794 VanDerWaalsContact CE2-OD1 3.26Å; Y568-D794 WeakPolarHBondContact CE2-OD1 3.41Å; Y568-D794 VanDerWaalsContact CZ-OD1 3.28Å; Y568-D794 VanDerWaalsContact OH-CG 3.25Å; Y568-D794 PolarHBondContact OH-OD1 3.31Å; Y568-D794 PolarHBondContact OH-OD2 2.92Å; R571-D794 WeakPolarHBondContact CD-OD1 3.33Å; R571-D794 VanDerWaalsContact CG-OD1 3.23Å; R571-D794 WeakPolarHBondContact CG-OD1 3.46Å; R571-D794 IonicContact CZ-OD2 3.9Å; R571-D794 IonicContact NE-OD1 3.83Å; R571-D794 IonicContact NE-OD2 3.53Å; M574-D794 WeakPolarHBondContact CE-O 3.29Å; R790-D794 PolarHBondContact O-N 2.88Å; M792-D794 PolarHBondContact O-N 3.12Å
795	Q	97.5	Very high	94.3	Very high	31 Å²	31	32.2 Å²	32.2	15%	0.145	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-31.8	-177.5	-64.8	-179	81.5	0	0	112.3	Y596 T599 N613 I615 N616 T791 M792 R793	Y596-Q795 WeakPolarHBondContact CD2-O 3.02Å; T599-Q795 PolarHBondContact OG1-O 3.17Å; N613-Q795 WeakPolarHBondContact CB-O 3.4Å; I615-Q795 HydrophobicContact CG1-CB 4.09Å; N616-Q795 PolarHBondContact O-NE2 3.1Å; T791-Q795 PolarHBondContact O-NE2 3.04Å; M792-Q795 PolarHBondContact O-N 3.43Å; R793-Q795 VanDerWaalsContact C-N 3.3Å
796	R	97.4	Very high	94.4	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-144.4	131.7	168.5	-176	166	174.5	82.2	-3.6	110.2	N611 N613 I615 A759 G760 I761 M792 R793 M799	N611-R796 PolarHBondContact OD1-NH1 3.33Å; N611-R796 VanDerWaalsContact OD1-NH1 3.11Å; N611-R796 PolarHBondContact OD1-NH2 3.49Å; N613-R796 HydrophobicContact CB-CB 3.97Å; N613-R796 HydrophobicContact CB-CG 4.27Å; N613-R796 WeakPolarHBondContact OD1-CG 3.24Å; N613-R796 PolarHBondContact OD1-NH1 3.01Å; I615-R796 HydrophobicContact CD1-CB 3.89Å; I615-R796 HydrophobicContact CG1-CB 4.3Å; A759-R796 PolarHBondContact O-NH2 3.07Å; G760-R796 PolarHBondContact O-NE 2.63Å; I761-R796 HydrophobicContact CG2-CG 4.45Å; M792-R796 PolarHBondContact O-N 3.13Å; R793-R796 VanDerWaalsContact CA-O 3.3Å; R793-R796 WeakPolarHBondContact CA-O 3.48Å; R796-M799 HydrophobicContact CB-CG 3.96Å; R796-M799 HydrophobicContact CB-SD 3.99Å; R796-M799 HydrophobicContact CG-CG 4.38Å; R796-M799 HydrophobicContact CG-SD 3.98Å; R796-M799 WeakPolarHBondContact O-CG 3.39Å
797	A	93.7	Very high	94.4	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	147.6	-179.7	0	0	0	0	0	113	K570 Y596 I761 M799	K570-A797 HydrophobicContact CG-CB 3.75Å; Y596-A797 HydrophobicContact CE1-CB 4.04Å; Y596-A797 HydrophobicContact CE2-CB 4.38Å; I761-A797 WeakPolarHBondContact CG2-O 2.97Å; A797-M799 VanDerWaalsContact C-N 3.25Å; A797-M799 PolarHBondContact O-N 3.14Å
798	M	93.1	Very high	94.4	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.133	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	21.9	167.7	-59.1	168.4	-67.1	0	0	116.1	R569 I593 I761 I800	R569-M798 HydrophobicContact CB-CG 3.97Å; R569-M798 WeakPolarHBondContact O-CG 3.48Å; R569-M798 PolarHBondContact O-N 3.47Å; I593-M798 HydrophobicContact CD1-CE 3.49Å; I593-M798 VanDerWaalsContact CD1-CE 3.49Å; I593-M798 HydrophobicContact CD1-SD 4.13Å; I761-M798 HydrophobicContact CD1-CB 3.96Å; M798-I800 CarbonylContact O-C 3.58Å; M798-I800 PolarHBondContact O-N 3.31Å
799	M	96.1	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-57	131.6	171.6	-63.1	-67.6	-66.6	0	0	110.4	I615 A630 I761 T764 I768 M792 R793 R796 A797	I615-M799 HydrophobicContact CD1-CE 3.41Å; I615-M799 VanDerWaalsContact CD1-CE 3.41Å; I615-M799 HydrophobicContact CD1-CG 4.2Å; I615-M799 HydrophobicContact CD1-SD 3.85Å; A630-M799 HydrophobicContact CB-CE 4.38Å; I761-M799 HydrophobicContact CB-SD 4.33Å; I761-M799 HydrophobicContact CG2-SD 4.27Å; I761-M799 WeakPolarHBondContact O-CA 3.25Å; T764-M799 HydrophobicContact CG2-CE 4.07Å; I768-M799 HydrophobicContact CD1-CE 3.85Å; M792-M799 HydrophobicContact CB-CB 3.8Å; M792-M799 HydrophobicContact CB-CG 4.01Å; M792-M799 HydrophobicContact CE-CB 4.24Å; M792-M799 HydrophobicContact SD-CB 4.38Å; M792-M799 HydrophobicContact SD-CE 3.85Å; R793-M799 HydrophobicContact CG-CB 4.15Å; R793-M799 PolarHBondContact NE-O 3Å; R793-M799 PolarHBondContact NH2-O 3.04Å; R796-M799 HydrophobicContact CB-CG 3.96Å; R796-M799 HydrophobicContact CB-SD 3.99Å; R796-M799 HydrophobicContact CG-CG 4.38Å; R796-M799 HydrophobicContact CG-SD 3.98Å; R796-M799 WeakPolarHBondContact O-CG 3.39Å; A797-M799 VanDerWaalsContact C-N 3.25Å; A797-M799 PolarHBondContact O-N 3.14Å
800	I	95	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	54.7	110.6	-158.1	-53.4	-165.4	0	0	0	111.8	F564 I761 V766 V789 M792 R793 M798 Q805 Y806 V809	F564-I800 HydrophobicContact CE2-CB 4.11Å; F564-I800 HydrophobicContact CE2-CG2 3.84Å; F564-I800 HydrophobicContact CZ-CB 4.32Å; F564-I800 HydrophobicContact CZ-CG2 3.81Å; F564-I800 WeakPolarHBondContact CZ-O 3.44Å; I761-I800 PolarHBondContact O-N 2.75Å; V766-I800 HydrophobicContact CG2-CD1 4.21Å; V766-I800 HydrophobicContact CG2-CG1 4.33Å; V789-I800 HydrophobicContact CG2-CD1 3.64Å; V789-I800 HydrophobicContact CG2-CG1 4.13Å; M792-I800 HydrophobicContact CE-CD1 4.46Å; M792-I800 HydrophobicContact CE-CG1 4.25Å; R793-I800 PolarHBondContact NH2-O 3.5Å; R793-I800 VanDerWaalsContact NH2-O 3.07Å; M798-I800 CarbonylContact O-C 3.58Å; M798-I800 PolarHBondContact O-N 3.31Å; I800-Q805 HydrophobicContact CG2-CB 3.8Å; I800-Y806 HydrophobicContact CD1-CD2 4.3Å; I800-V809 HydrophobicContact CD1-CG1 4.02Å
801	Q	88.5	Confident	94.3	Very high	107 Å²	107	30.8 Å²	30.8	50%	0.5	16%	0.159	S	C	.	.			trans	-92.6	-35.9	-164.9	-172.4	178.5	17.6	0	0	113.4
802	T	90.3	Very high	94.2	Very high	47 Å²	47	27.9 Å²	27.9	29%	0.288	14%	0.141	S	C	.	.	S	Bend	trans	-124.1	149.7	-173	63.8	0	0	0	0	112.1	S804 Q805 Y806	T802-S804 PolarHBondContact O-N 2.84Å; T802-Q805 WeakPolarHBondContact O-CB 3.4Å; T802-Q805 PolarHBondContact O-N 3.16Å; T802-Q805 VanDerWaalsContact O-N 3.08Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.35Å; T802-Q805 PolarHBondContact OG1-N 2.84Å; T802-Y806 PolarHBondContact O-N 2.79Å
803	P	90.5	Very high	94	Very high	52 Å²	52	27.9 Å²	27.9	34%	0.338	14%	0.141	S	C	.	.	H	α-helix	trans	-55.5	-33.6	173.8	-27.5	36.1	0	0	0	113.2	L561 F564 Y806 R807	L561-P803 HydrophobicContact CD2-CB 4.29Å; F564-P803 HydrophobicContact CD1-CG 4.5Å; F564-P803 HydrophobicContact CE1-CG 4.36Å; P803-Y806 PolarHBondContact O-N 3.01Å; P803-R807 WeakPolarHBondContact O-CB 3.39Å; P803-R807 PolarHBondContact O-N 2.87Å
804	S	91.4	Very high	93.8	Very high	60 Å²	60	28.5 Å²	28.5	42%	0.42	15%	0.145	S	C	.	.	H	α-helix	trans	-64.8	-38.5	176.7	-40.1	0	0	0	0	112.9	T802 R807 F808	T802-S804 PolarHBondContact O-N 2.84Å; S804-R807 PolarHBondContact O-N 2.82Å; S804-F808 WeakPolarHBondContact O-CB 3.42Å; S804-F808 PolarHBondContact O-N 3.12Å
805	Q	92.3	Very high	93.7	Very high	16 Å²	16	29.1 Å²	29.1	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-39.2	173.9	-75.2	166.8	1.2	0	0	111.7	V728 G762 V766 I800 T802 V809	V728-Q805 HydrophobicContact CG1-CB 4.45Å; V728-Q805 HydrophobicContact CG1-CG 4.02Å; G762-Q805 VanDerWaalsContact CA-OE1 3.24Å; V766-Q805 HydrophobicContact CG2-CB 3.81Å; V766-Q805 HydrophobicContact CG2-CG 4.29Å; I800-Q805 HydrophobicContact CG2-CB 3.8Å; T802-Q805 WeakPolarHBondContact O-CB 3.4Å; T802-Q805 PolarHBondContact O-N 3.16Å; T802-Q805 VanDerWaalsContact O-N 3.08Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.35Å; T802-Q805 PolarHBondContact OG1-N 2.84Å; Q805-V809 PolarHBondContact O-N 2.85Å; Q805-V809 VanDerWaalsContact O-N 3.11Å
806	Y	95.1	Very high	93.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-39.4	176.5	-171.9	-118.7	0	0	0	112.2	I560 L561 F564 P785 L786 V789 I800 T802 P803 V809 C810	I560-Y806 HydrophobicContact CG2-CD1 4.13Å; I560-Y806 HydrophobicContact CG2-CE1 3.36Å; I560-Y806 WeakPolarHBondContact O-CE1 3.27Å; L561-Y806 HydrophobicContact CD2-CD1 4.29Å; F564-Y806 HydrophobicContact CB-CD1 3.41Å; F564-Y806 VanDerWaalsContact CB-CD1 3.41Å; F564-Y806 HydrophobicContact CB-CE1 3.48Å; F564-Y806 VanDerWaalsContact CB-CE1 3.48Å; F564-Y806 HydrophobicContact CB-CG 4.18Å; F564-Y806 HydrophobicContact CD1-CD1 4.29Å; F564-Y806 HydrophobicContact CD1-CG 4.44Å; F564-Y806 AromaticContact CD2-CD1 3.52Å; F564-Y806 HydrophobicContact CD2-CD1 3.52Å; F564-Y806 AromaticContact CD2-CD2 3.62Å; F564-Y806 HydrophobicContact CD2-CD2 3.62Å; F564-Y806 AromaticContact CD2-CE1 3.92Å; F564-Y806 HydrophobicContact CD2-CE1 3.92Å; F564-Y806 HydrophobicContact CD2-CE2 4.03Å; F564-Y806 AromaticContact CD2-CG 3.34Å; F564-Y806 HydrophobicContact CD2-CG 3.34Å; F564-Y806 HydrophobicContact CE2-CD1 4.33Å; F564-Y806 AromaticContact CE2-CD2 3.9Å; F564-Y806 HydrophobicContact CE2-CD2 3.9Å; F564-Y806 AromaticContact CE2-CG 3.73Å; F564-Y806 HydrophobicContact CE2-CG 3.73Å; F564-Y806 AromaticContact CG-CD1 3.48Å; F564-Y806 HydrophobicContact CG-CD1 3.48Å; F564-Y806 VanDerWaalsContact CG-CD1 3.48Å; F564-Y806 HydrophobicContact CG-CD2 4.43Å; F564-Y806 AromaticContact CG-CE1 3.96Å; F564-Y806 HydrophobicContact CG-CE1 3.96Å; F564-Y806 AromaticContact CG-CG 3.74Å; F564-Y806 HydrophobicContact CG-CG 3.74Å; F564-Y806 HydrophobicContact CZ-CG 4.42Å; P785-Y806 HydrophobicContact CB-CE2 3.88Å; L786-Y806 VanDerWaalsContact CA-OH 3.31Å; L786-Y806 WeakPolarHBondContact CA-OH 3.26Å; L786-Y806 WeakPolarHBondContact CB-OH 3.47Å; L786-Y806 PolarHBondContact N-OH 3.45Å; V789-Y806 HydrophobicContact CG2-CD2 4.11Å; V789-Y806 HydrophobicContact CG2-CE2 3.92Å; I800-Y806 HydrophobicContact CD1-CD2 4.3Å; T802-Y806 PolarHBondContact O-N 2.79Å; P803-Y806 PolarHBondContact O-N 3.01Å; Y806-V809 HydrophobicContact CD2-CG1 4.14Å; Y806-V809 WeakPolarHBondContact O-CG1 3.43Å; Y806-V809 PolarHBondContact O-N 3.35Å; Y806-C810 PolarHBondContact O-N 3.29Å; Y806-C810 VanDerWaalsContact O-N 3.11Å; Y806-C810 PolarHBondContact O-SG 3.27Å
807	R	93.7	Very high	93	Very high	114 Å²	114	30.1 Å²	30.1	43%	0.43	15%	0.149	S	C	.	.	H	α-helix	trans	-58.4	-51.8	172.8	-172	179.5	168.3	141.3	10	111.4	L555 L561 P803 S804 V809 C810 E811	L555-R807 HydrophobicContact CD2-CG 4.09Å; L561-R807 HydrophobicContact CD2-CB 4.07Å; P803-R807 WeakPolarHBondContact O-CB 3.39Å; P803-R807 PolarHBondContact O-N 2.87Å; S804-R807 PolarHBondContact O-N 2.82Å; R807-V809 VanDerWaalsContact C-N 3.34Å; R807-V809 PolarHBondContact O-N 3.19Å; R807-C810 PolarHBondContact O-N 3.11Å; R807-E811 HydrophobicContact CG-CG 4.38Å; R807-E811 IonicContact CZ-OE1 3.64Å; R807-E811 VanDerWaalsContact CZ-OE1 3.22Å; R807-E811 IonicContact NE-OE1 3.46Å; R807-E811 PolarHBondContact NE-OE1 3.11Å; R807-E811 IonicContact NE-OE2 3.22Å; R807-E811 IonicContact NH2-OE1 2.71Å; R807-E811 PolarHBondContact NH2-OE1 3.24Å; R807-E811 WeakPolarHBondContact O-CG 3.35Å; R807-E811 PolarHBondContact O-N 2.9Å
808	F	94.5	Very high	92.7	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-42.5	179.3	173.1	-98.2	0	0	0	112.7	W723 V728 P729 F735 V766 S804 E811 A812	W723-F808 HydrophobicContact CH2-CE1 4.38Å; V728-F808 HydrophobicContact CB-CB 3.83Å; V728-F808 HydrophobicContact CB-CD1 4.32Å; V728-F808 HydrophobicContact CB-CD2 3.8Å; V728-F808 HydrophobicContact CB-CE2 4.44Å; V728-F808 HydrophobicContact CB-CG 3.73Å; V728-F808 HydrophobicContact CG1-CB 3.64Å; V728-F808 HydrophobicContact CG1-CD1 4.3Å; V728-F808 HydrophobicContact CG1-CD2 4.49Å; V728-F808 HydrophobicContact CG1-CG 3.92Å; V728-F808 HydrophobicContact CG2-CB 3.99Å; V728-F808 HydrophobicContact CG2-CD2 4.05Å; V728-F808 HydrophobicContact CG2-CG 4.21Å; P729-F808 HydrophobicContact CB-CE2 4.03Å; P729-F808 HydrophobicContact CB-CZ 4.09Å; P729-F808 HydrophobicContact CG-CE2 4.25Å; P729-F808 HydrophobicContact CG-CZ 3.89Å; P729-F808 WeakPolarHBondContact O-CE2 3.38Å; F735-F808 HydrophobicContact CB-CZ 4.33Å; F735-F808 AromaticContact CD1-CE1 3.51Å; F735-F808 HydrophobicContact CD1-CE1 3.51Å; F735-F808 AromaticContact CD1-CZ 3.67Å; F735-F808 HydrophobicContact CD1-CZ 3.67Å; F735-F808 AromaticContact CE1-CE1 3.7Å; F735-F808 HydrophobicContact CE1-CE1 3.7Å; F735-F808 HydrophobicContact CE1-CZ 4.33Å; F735-F808 HydrophobicContact CG-CE1 4.27Å; F735-F808 HydrophobicContact CG-CZ 4.22Å; V766-F808 HydrophobicContact CG1-CD1 3.99Å; V766-F808 HydrophobicContact CG1-CE1 4.14Å; S804-F808 WeakPolarHBondContact O-CB 3.42Å; S804-F808 PolarHBondContact O-N 3.12Å; F808-E811 PolarHBondContact O-N 3.32Å; F808-A812 VanDerWaalsContact O-CB 3.28Å; F808-A812 WeakPolarHBondContact O-CB 3.38Å; F808-A812 PolarHBondContact O-N 3.13Å
809	V	95.4	Very high	92.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-41.1	178.3	86.2	0	0	0	0	111.5	V766 T769 M770 I800 Q805 Y806 R807 A812 I813	V766-V809 HydrophobicContact CG1-CB 4Å; V766-V809 HydrophobicContact CG1-CG2 3.84Å; T769-V809 HydrophobicContact CG2-CB 4.46Å; T769-V809 HydrophobicContact CG2-CG1 3.91Å; T769-V809 HydrophobicContact CG2-CG2 3.62Å; M770-V809 HydrophobicContact CG-CG2 3.72Å; M770-V809 HydrophobicContact SD-CG2 3.41Å; M770-V809 WeakPolarHBondContact SD-CG2 3.27Å; I800-V809 HydrophobicContact CD1-CG1 4.02Å; Q805-V809 PolarHBondContact O-N 2.85Å; Q805-V809 VanDerWaalsContact O-N 3.11Å; Y806-V809 HydrophobicContact CD2-CG1 4.14Å; Y806-V809 WeakPolarHBondContact O-CG1 3.43Å; Y806-V809 PolarHBondContact O-N 3.35Å; R807-V809 VanDerWaalsContact C-N 3.34Å; R807-V809 PolarHBondContact O-N 3.19Å; V809-A812 PolarHBondContact O-N 3.04Å; V809-I813 HydrophobicContact CG2-CD1 4.39Å; V809-I813 WeakPolarHBondContact O-CB 3.22Å; V809-I813 WeakPolarHBondContact O-CD1 3.45Å; V809-I813 WeakPolarHBondContact O-CG1 3.17Å; V809-I813 PolarHBondContact O-N 3.37Å
810	C	95.4	Very high	91.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-40.4	175.1	-66.6	0	0	0	0	112.7	L551 L555 Y806 R807 I813 L814	L551-C810 HydrophobicContact CD1-CB 3.86Å; L555-C810 HydrophobicContact CD1-CB 3.8Å; L555-C810 HydrophobicContact CD2-CB 4.02Å; L555-C810 HydrophobicContact CG-CB 4.15Å; Y806-C810 PolarHBondContact O-N 3.29Å; Y806-C810 VanDerWaalsContact O-N 3.11Å; Y806-C810 PolarHBondContact O-SG 3.27Å; R807-C810 PolarHBondContact O-N 3.11Å; C810-I813 PolarHBondContact O-N 3.3Å; C810-L814 PolarHBondContact O-N 3.43Å; C810-L814 VanDerWaalsContact O-N 3.11Å
811	E	93.9	Very high	90.6	Very high	78 Å²	78	45.6 Å²	45.6	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-39.1	176	-73.4	172.1	159.1	0	0	111.6	L555 R807 F808 L814 K815	L555-E811 HydrophobicContact CD1-CG 3.91Å; L555-E811 HydrophobicContact CD2-CG 4.28Å; R807-E811 HydrophobicContact CG-CG 4.38Å; R807-E811 IonicContact CZ-OE1 3.64Å; R807-E811 VanDerWaalsContact CZ-OE1 3.22Å; R807-E811 IonicContact NE-OE1 3.46Å; R807-E811 PolarHBondContact NE-OE1 3.11Å; R807-E811 IonicContact NE-OE2 3.22Å; R807-E811 IonicContact NH2-OE1 2.71Å; R807-E811 PolarHBondContact NH2-OE1 3.24Å; R807-E811 WeakPolarHBondContact O-CG 3.35Å; R807-E811 PolarHBondContact O-N 2.9Å; F808-E811 PolarHBondContact O-N 3.32Å; E811-L814 PolarHBondContact O-N 3.11Å; E811-K815 PolarHBondContact O-N 3.06Å
812	A	94	Very high	89.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-37.1	175	0	0	0	0	0	113	M770 F808 V809 K815 V816	M770-A812 HydrophobicContact CE-CB 3.97Å; M770-A812 HydrophobicContact SD-CB 3.82Å; F808-A812 VanDerWaalsContact O-CB 3.28Å; F808-A812 WeakPolarHBondContact O-CB 3.38Å; F808-A812 PolarHBondContact O-N 3.13Å; V809-A812 PolarHBondContact O-N 3.04Å; A812-K815 PolarHBondContact O-N 3.45Å; A812-V816 WeakPolarHBondContact O-CG2 3.26Å; A812-V816 PolarHBondContact O-N 3.2Å
813	I	94.6	Very high	89	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-47.4	172.3	-74.5	166	0	0	0	110.4	M548 L551 T769 M770 S773 M777 V783 P785 V809 C810 V816 Y817	M548-I813 HydrophobicContact CE-CG2 3.96Å; M548-I813 HydrophobicContact SD-CG2 4.07Å; L551-I813 HydrophobicContact CD2-CB 4.16Å; L551-I813 HydrophobicContact CD2-CG2 3.44Å; L551-I813 VanDerWaalsContact CD2-CG2 3.44Å; T769-I813 HydrophobicContact CG2-CD1 4.19Å; M770-I813 HydrophobicContact CE-CG1 4.07Å; M770-I813 HydrophobicContact SD-CD1 4.45Å; M770-I813 HydrophobicContact SD-CG1 3.73Å; S773-I813 WeakPolarHBondContact OG-CD1 3.44Å; M777-I813 HydrophobicContact CE-CB 4.3Å; M777-I813 HydrophobicContact CE-CG2 3.52Å; M777-I813 WeakPolarHBondContact CE-O 3.37Å; V783-I813 HydrophobicContact CG1-CG2 4.23Å; P785-I813 HydrophobicContact CB-CD1 4.36Å; P785-I813 HydrophobicContact CG-CD1 3.8Å; V809-I813 HydrophobicContact CG2-CD1 4.39Å; V809-I813 WeakPolarHBondContact O-CB 3.22Å; V809-I813 WeakPolarHBondContact O-CD1 3.45Å; V809-I813 WeakPolarHBondContact O-CG1 3.17Å; V809-I813 PolarHBondContact O-N 3.37Å; C810-I813 PolarHBondContact O-N 3.3Å; I813-V816 PolarHBondContact O-N 3.35Å; I813-Y817 PolarHBondContact O-N 3.18Å; I813-Y817 VanDerWaalsContact O-N 3.13Å
814	L	92.9	Very high	87.8	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175.5	-75	-179.5	0	0	0	112.5	M548 L551 K552 L555 C810 E811 V816 Y817 D818	M548-L814 HydrophobicContact CB-CD2 4.34Å; M548-L814 HydrophobicContact SD-CD2 4.08Å; L551-L814 HydrophobicContact CB-CD2 4.1Å; L551-L814 HydrophobicContact CD2-CD2 3.81Å; L551-L814 HydrophobicContact CD2-CG 3.81Å; L551-L814 HydrophobicContact CG-CD1 4.28Å; L551-L814 HydrophobicContact CG-CD2 3.95Å; L551-L814 HydrophobicContact CG-CG 3.91Å; K552-L814 HydrophobicContact CB-CD1 3.96Å; K552-L814 HydrophobicContact CB-CD2 4.25Å; K552-L814 HydrophobicContact CG-CD1 4.13Å; L555-L814 HydrophobicContact CD1-CD1 3.57Å; L555-L814 HydrophobicContact CD1-CG 4.45Å; C810-L814 PolarHBondContact O-N 3.43Å; C810-L814 VanDerWaalsContact O-N 3.11Å; E811-L814 PolarHBondContact O-N 3.11Å; L814-V816 PolarHBondContact O-N 3.3Å; L814-Y817 PolarHBondContact O-N 3Å; L814-D818 WeakPolarHBondContact O-CB 3.35Å; L814-D818 PolarHBondContact O-N 3.18Å
815	K	91.6	Very high	86.2	Confident	46 Å²	46	53.5 Å²	53.5	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-48.4	178	-171.6	-175.5	-179.1	-177	0	111.1	D731 S732 T733 L736 E811 A812 Y817 D818 E819	D731-K815 IonicContact OD1-NZ 2.76Å; D731-K815 PolarHBondContact OD1-NZ 3.26Å; S732-K815 VanDerWaalsContact OG-CD 3.24Å; S732-K815 WeakPolarHBondContact OG-CD 3.37Å; T733-K815 PolarHBondContact OG1-NZ 3.43Å; L736-K815 HydrophobicContact CD1-CD 4.29Å; E811-K815 PolarHBondContact O-N 3.06Å; A812-K815 PolarHBondContact O-N 3.45Å; K815-Y817 VanDerWaalsContact C-N 3.31Å; K815-Y817 PolarHBondContact O-N 3.07Å; K815-D818 PolarHBondContact O-N 3.31Å; K815-E819 WeakPolarHBondContact CE-OE1 3.48Å; K815-E819 WeakPolarHBondContact CE-OE2 3.37Å; K815-E819 VanDerWaalsContact CG-CD 3.48Å; K815-E819 HydrophobicContact CG-CG 4.29Å; K815-E819 VanDerWaalsContact CG-OE1 3.31Å; K815-E819 WeakPolarHBondContact CG-OE1 3.49Å; K815-E819 VanDerWaalsContact O-CB 3.24Å; K815-E819 WeakPolarHBondContact O-CB 3.44Å; K815-E819 WeakPolarHBondContact O-CG 3.25Å; K815-E819 PolarHBondContact O-N 2.77Å
816	V	91.1	Very high	83.7	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-39.2	177.4	169.7	0	0	0	0	112.4	L736 M770 L774 M777 A812 I813 L814 G820 L821 F822	L736-V816 HydrophobicContact CD1-CG2 3.73Å; L736-V816 HydrophobicContact CD2-CG2 3.46Å; L736-V816 VanDerWaalsContact CD2-CG2 3.46Å; L736-V816 HydrophobicContact CG-CG2 4.22Å; M770-V816 HydrophobicContact CE-CG2 4.46Å; L774-V816 HydrophobicContact CD2-CB 4.42Å; L774-V816 HydrophobicContact CD2-CG1 3.58Å; L774-V816 HydrophobicContact CD2-CG2 4.36Å; M777-V816 HydrophobicContact SD-CG1 4.03Å; A812-V816 WeakPolarHBondContact O-CG2 3.26Å; A812-V816 PolarHBondContact O-N 3.2Å; I813-V816 PolarHBondContact O-N 3.35Å; L814-V816 PolarHBondContact O-N 3.3Å; V816-G820 PolarHBondContact O-N 2.96Å; V816-L821 HydrophobicContact CG1-CB 4.12Å; V816-L821 PolarHBondContact O-N 3.46Å; V816-F822 HydrophobicContact CG1-CB 4.33Å; V816-F822 HydrophobicContact CG1-CD1 4.21Å
817	Y	90.3	Very high	80.9	Confident	50 Å²	50	62 Å²	62	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-50	178	-179.6	-99.4	0	0	0	112.2	L544 R545 M548 I813 L814 K815 E819 G820 F822	L544-Y817 HydrophobicContact CD1-CD2 4.49Å; L544-Y817 HydrophobicContact CD1-CE2 4.35Å; L544-Y817 HydrophobicContact CD2-CE2 4.1Å; L544-Y817 HydrophobicContact CG-CD2 4.49Å; L544-Y817 HydrophobicContact CG-CE2 3.91Å; R545-Y817 WeakPolarHBondContact CA-OH 3.14Å; M548-Y817 HydrophobicContact CB-CD1 3.78Å; M548-Y817 HydrophobicContact CB-CE1 3.74Å; M548-Y817 HydrophobicContact CB-CG 4.23Å; M548-Y817 HydrophobicContact CE-CD2 4.44Å; M548-Y817 HydrophobicContact CG-CD1 3.66Å; M548-Y817 HydrophobicContact CG-CD2 3.71Å; M548-Y817 HydrophobicContact CG-CE1 3.84Å; M548-Y817 HydrophobicContact CG-CE2 3.9Å; M548-Y817 HydrophobicContact CG-CG 3.58Å; M548-Y817 HydrophobicContact SD-CD1 4.34Å; M548-Y817 HydrophobicContact SD-CD2 4.31Å; M548-Y817 HydrophobicContact SD-CG 3.93Å; I813-Y817 PolarHBondContact O-N 3.18Å; I813-Y817 VanDerWaalsContact O-N 3.13Å; L814-Y817 PolarHBondContact O-N 3Å; K815-Y817 VanDerWaalsContact C-N 3.31Å; K815-Y817 PolarHBondContact O-N 3.07Å; Y817-E819 VanDerWaalsContact C-N 3.34Å; Y817-E819 PolarHBondContact O-N 2.62Å; Y817-G820 PolarHBondContact O-N 2.84Å; Y817-F822 HydrophobicContact CD2-CE1 4.05Å; Y817-F822 HydrophobicContact CD2-CZ 4.33Å
818	D	87.7	Confident	77.8	Confident	95 Å²	95	64.9 Å²	64.9	51%	0.508	39%	0.388	S	S	.	.	H	α-helix	trans	-66.3	-33.7	-179.1	-79	-10	0	0	0	111.8	K552 L814 K815	K552-D818 IonicContact NZ-OD1 3.62Å; K552-D818 IonicContact NZ-OD2 3.33Å; K552-D818 PolarHBondContact NZ-OD2 2.98Å; L814-D818 WeakPolarHBondContact O-CB 3.35Å; L814-D818 PolarHBondContact O-N 3.18Å; K815-D818 PolarHBondContact O-N 3.31Å
819	E	85.3	Confident	77	Confident	107 Å²	107	67.6 Å²	67.6	50%	0.5	41%	0.405	S	S	.	.	H	α-helix	trans	-86.7	-9	176.5	-66.4	175.5	-179.6	0	0	113.7	K815 Y817 L821	K815-E819 WeakPolarHBondContact CE-OE1 3.48Å; K815-E819 WeakPolarHBondContact CE-OE2 3.37Å; K815-E819 VanDerWaalsContact CG-CD 3.48Å; K815-E819 HydrophobicContact CG-CG 4.29Å; K815-E819 VanDerWaalsContact CG-OE1 3.31Å; K815-E819 WeakPolarHBondContact CG-OE1 3.49Å; K815-E819 VanDerWaalsContact O-CB 3.24Å; K815-E819 WeakPolarHBondContact O-CB 3.44Å; K815-E819 WeakPolarHBondContact O-CG 3.25Å; K815-E819 PolarHBondContact O-N 2.77Å; Y817-E819 VanDerWaalsContact C-N 3.34Å; Y817-E819 PolarHBondContact O-N 2.62Å; E819-L821 VanDerWaalsContact C-N 3.34Å; E819-L821 HydrophobicContact CB-CD1 4.19Å; E819-L821 HydrophobicContact CB-CD2 4.45Å; E819-L821 HydrophobicContact CB-CG 3.82Å; E819-L821 PolarHBondContact O-N 3Å; E819-L821 VanDerWaalsContact OE2-CD1 3.31Å; E819-L821 WeakPolarHBondContact OE2-CD1 3.14Å
820	G	79.8	Confident	76	Confident	46 Å²	46	71.1 Å²	71.1	47%	0.474	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	29.4	179.6	0	0	0	0	0	114.7	V816 Y817 F822	V816-G820 PolarHBondContact O-N 2.96Å; Y817-G820 PolarHBondContact O-N 2.84Å; G820-F822 PolarHBondContact O-N 2.71Å; G820-F822 VanDerWaalsContact O-N 3.15Å
821	L	73.3	Confident	75	Confident	106 Å²	106	75.1 Å²	75.1	56%	0.555	45%	0.45	S	S	*	.			trans	-77.3	8.2	-174	-61.2	179.2	0	0	0	114.7	V816 E819	V816-L821 HydrophobicContact CG1-CB 4.12Å; V816-L821 PolarHBondContact O-N 3.46Å; E819-L821 VanDerWaalsContact C-N 3.34Å; E819-L821 HydrophobicContact CB-CD1 4.19Å; E819-L821 HydrophobicContact CB-CD2 4.45Å; E819-L821 HydrophobicContact CB-CG 3.82Å; E819-L821 PolarHBondContact O-N 3Å; E819-L821 VanDerWaalsContact OE2-CD1 3.31Å; E819-L821 WeakPolarHBondContact OE2-CD1 3.14Å
822	F	75.8	Confident	73.9	Confident	34 Å²	34	74.9 Å²	74.9	15%	0.149	46%	0.455	C	S	.	.	S	Bend	trans	-104	151.2	174.2	66.6	-81.7	0	0	0	110.5	M777 E778 V816 Y817 G820 P824	M777-F822 HydrophobicContact CB-CB 4.48Å; M777-F822 HydrophobicContact CB-CD1 4.4Å; M777-F822 HydrophobicContact CB-CD2 3.85Å; M777-F822 HydrophobicContact CB-CE2 4.12Å; M777-F822 HydrophobicContact CB-CG 4Å; M777-F822 HydrophobicContact SD-CD1 4.09Å; M777-F822 HydrophobicContact SD-CG 4.38Å; E778-F822 HydrophobicContact CG-CB 4.09Å; E778-F822 HydrophobicContact CG-CD2 4.38Å; V816-F822 HydrophobicContact CG1-CB 4.33Å; V816-F822 HydrophobicContact CG1-CD1 4.21Å; Y817-F822 HydrophobicContact CD2-CE1 4.05Å; Y817-F822 HydrophobicContact CD2-CZ 4.33Å; G820-F822 PolarHBondContact O-N 2.71Å; G820-F822 VanDerWaalsContact O-N 3.15Å; F822-P824 HydrophobicContact CD2-CG 4.4Å; F822-P824 HydrophobicContact CE2-CG 4.12Å; F822-P824 WeakPolarHBondContact O-CD 3.44Å
823	K	69.6	Low	72.6	Confident	174 Å²	174	79.5 Å²	79.5	76%	0.757	48%	0.483	S	S	*	.			trans	-101.8	105.1	178.9	-68.6	-179.4	-178	176.1	0	109.5	E778 Q825	E778-K823 WeakPolarHBondContact CG-O 3.33Å; K823-Q825 PolarHBondContact O-N 3.46Å
824	P	65.4	Low	71.1	Confident	97 Å²	97	84.8 Å²	84.8	63%	0.63	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-56.6	131.5	177.7	-21.3	32.3	0	0	0	110	F822 A826	F822-P824 HydrophobicContact CD2-CG 4.4Å; F822-P824 HydrophobicContact CE2-CG 4.12Å; F822-P824 WeakPolarHBondContact O-CD 3.44Å; P824-A826 PolarHBondContact O-N 3.33Å
825	Q	58.1	Low	69.6	Low	126 Å²	126	89.6 Å²	89.6	59%	0.589	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-65.6	127.1	165.8	-72.6	-176.8	-27.3	0	0	107.5	E778 C779 K823 A827	E778-Q825 PolarHBondContact O-N 2.92Å; C779-Q825 PolarHBondContact SG-OE1 3.35Å; K823-Q825 PolarHBondContact O-N 3.46Å; Q825-A827 PolarHBondContact O-N 3.44Å
826	A	39.2	Very low	67.9	Low	96 Å²	96	93 Å²	93	79%	0.793	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.6	173	0	0	0	0	0	108.3	P824 A828	P824-A826 PolarHBondContact O-N 3.33Å; A826-A828 PolarHBondContact O-N 2.74Å
827	A	36.6	Very low	65.9	Low	102 Å²	102	100.5 Å²	100.5	84%	0.843	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-58.5	123	173.2	0	0	0	0	0	108.8	Q825	Q825-A827 PolarHBondContact O-N 3.44Å
828	A	30.2	Very low	63.7	Low	173 Å²	173	105.1 Å²	105.1	100%	1.43	66%	0.657	S	S	*	*			trans	-85.3	0	177.5	0	0	0	0	0	111.1	A826	A826-A828 PolarHBondContact O-N 2.74Å

Retrieved 828 of 828 residues in 273.6 ms (Link to these results)

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