A0A087XYA7_POEFO Loading...

Smoothelin

AlphaFold DB , UniProt , Accession A0A087XYA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,044 aa.

						>A0A087XYA7_POEFO|A0A087XYA7
MSLETYSALDESSLRALLDGTLDLDERRLIRSAIRELRRREIEDMEAALASKRFRPTRLNQQEDKENQHRSESSNNLDVLSQKLQSIQDVDELTKMLRAAAEYEERKMIREAIRRVRDEQLQESAEKSKVSICRLEPESAAPQSIVGAAQSESRPDLRAPIQELHTQQAQHDRELQRKGKDSDSGMVLVLDHLVKDDTSGPMLIQPQREAMTPESDSLLSDRTRSNSTASDRSGTSVHSMSNQDSVASEKSLGSNQRPRLDSGASDRSQSSSQRGRLDSAASERSTSSLSSARQRLGSDVSDSCVRPRLGSGNKDGMGASTRKRMDAVTSDLSMSLPSEVKAPTEDVERPVSGSVCSTDSESETSPASIQTESNQDRSHDQDQPDGAVLSRRDPANGLLNGHAQGKLSFKIQKITANGNLTFGHGKTSETAPEKKDVTLEQLSRTNSVRDRMRKFTEASQNPPALKKTPLRNGTVSGLTNLSRAAELFAQASASPGTSGDAPARPRVGLASNTAASRSPAAPQPLKGVAGRPPFSAGQSQGSLGGTRLEKDMPTSAEPEEERTPGRAAETQVPEGEEDPDMKTFLTIEIKDGRTTTSSSSSSSSSTQRGNMMPITSMTPRITTLGQRPELTLGLRAAPFKISSSTFSSGSSIKMETEPVVASEPTFSAGPSMIVACQVPAIPNGSSTQTKPAESSGKLTAEKLAAIEDEELLDKMLDESKDFEERKMIRAAMRDLRKRKRDQREKERDTRLQELRLQREERAQKGRAGAGEVVMRKMEKSADGSTLSQVTKTNRFAQSDDGSKSTHSTVVETSFVQKTDRGTVQSKSYSFTSSSSSNASKKVGSVFDREDDTSPRGGSGGLSAIDRRQAERRKELMRAQTMPKTSAMQARKAMIEKLEKEGGGPGNQAVAKVNKVQRSTSFGVPNANSIKQMLLDWCRAKTRSYEHVDIQNFSSSWSNGMAFCALVHNFFPDAFDYDSLSPSNRRQNFEVAFSAAEKLVDCPQLLDVDDMVKMREPDWKCVYTYLQEFYRGLVTKGLVKTKNSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.7	Low	76.6	Confident	134 Å²	134	71.4 Å²	71.4	66%	0.66	41%	0.407	S	S	*	.				0	-175.6	0	-51.9	-179.9	-134.4	0	0	109.5	T5 Y6 E26 L29	M1-T5 WeakPolarHBondContact CB-OG1 3.42Å; M1-Y6 HydrophobicContact CB-CE1 4.33Å; M1-Y6 HydrophobicContact CB-CE2 3.98Å; M1-Y6 WeakPolarHBondContact CB-OH 3.32Å; M1-Y6 HydrophobicContact CE-CE1 4.25Å; M1-Y6 WeakPolarHBondContact CG-OH 3.42Å; M1-Y6 PolarHBondContact N-OH 3.24Å; M1-Y6 HydrophobicContact SD-CE1 4.44Å; M1-E26 PolarHBondContact N-OE1 2.81Å; M1-L29 VanDerWaalsContact O-CD2 3.26Å; M1-L29 WeakPolarHBondContact O-CD2 3.38Å
2	S	63.5	Low	77.6	Confident	49 Å²	49	72.3 Å²	72.3	34%	0.343	42%	0.42	S	S	.	.			trans	-76.7	159.9	179.3	82.9	0	0	0	0	112.4	E4 T5 Y6	S2-E4 PolarHBondContact O-N 3.14Å; S2-E4 PolarHBondContact OG-N 3.36Å; S2-E4 PolarHBondContact OG-OE2 3.38Å; S2-E4 VanDerWaalsContact OG-OE2 3.05Å; S2-T5 PolarHBondContact N-OG1 3.19Å; S2-T5 PolarHBondContact O-N 2.84Å; S2-T5 PolarHBondContact O-OG1 2.92Å; S2-T5 PolarHBondContact OG-N 2.79Å; S2-Y6 WeakPolarHBondContact O-CD2 3.23Å; S2-Y6 PolarHBondContact O-N 3.42Å
3	L	66.4	Low	78.6	Confident	94 Å²	94	70.5 Å²	70.5	49%	0.492	42%	0.415	S	S	.	.	H	α-helix	trans	-57.1	-35.7	176.7	-174.4	70.9	0	0	0	111.8	Y6 S7 L29	L3-Y6 CarbonylContact O-C 3.59Å; L3-Y6 PolarHBondContact O-N 3.02Å; L3-S7 WeakPolarHBondContact O-CB 3.46Å; L3-S7 PolarHBondContact O-N 2.98Å; L3-L29 HydrophobicContact CB-CD1 4.21Å; L3-L29 HydrophobicContact CD1-CD1 3.67Å; L3-L29 HydrophobicContact CD1-CG 4.19Å
4	E	72.3	Confident	79.5	Confident	144 Å²	144	65.5 Å²	65.5	67%	0.673	39%	0.385	S	S	*	.	H	α-helix	trans	-64.8	-43.6	-179.5	-60	141.3	144.9	0	0	111.3	S2 Y6 S7	S2-E4 PolarHBondContact O-N 3.14Å; S2-E4 PolarHBondContact OG-N 3.36Å; S2-E4 PolarHBondContact OG-OE2 3.38Å; S2-E4 VanDerWaalsContact OG-OE2 3.05Å; E4-Y6 PolarHBondContact O-N 3.05Å; E4-S7 WeakPolarHBondContact CA-OG 3.45Å; E4-S7 WeakPolarHBondContact O-CB 3.2Å; E4-S7 PolarHBondContact O-N 2.59Å; E4-S7 PolarHBondContact O-OG 3.37Å
5	T	79.3	Confident	80.1	Confident	66 Å²	66	69 Å²	69	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-28.2	176.1	58.6	0	0	0	0	113.1	M1 S2	M1-T5 WeakPolarHBondContact CB-OG1 3.42Å; S2-T5 PolarHBondContact N-OG1 3.19Å; S2-T5 PolarHBondContact O-N 2.84Å; S2-T5 PolarHBondContact O-OG1 2.92Å; S2-T5 PolarHBondContact OG-N 2.79Å
6	Y	80.2	Confident	80.8	Confident	1 Å²	1	69.1 Å²	69.1	0%	0.004	40%	0.401	C	S	.	.	H	α-helix	trans	-86.7	-17.7	172.3	-60.2	-49.9	0	0	0	113.8	M1 S2 L3 E4 A8 L9 L14 L17 E26 L29 I30	M1-Y6 HydrophobicContact CB-CE1 4.33Å; M1-Y6 HydrophobicContact CB-CE2 3.98Å; M1-Y6 WeakPolarHBondContact CB-OH 3.32Å; M1-Y6 HydrophobicContact CE-CE1 4.25Å; M1-Y6 WeakPolarHBondContact CG-OH 3.42Å; M1-Y6 PolarHBondContact N-OH 3.24Å; M1-Y6 HydrophobicContact SD-CE1 4.44Å; S2-Y6 WeakPolarHBondContact O-CD2 3.23Å; S2-Y6 PolarHBondContact O-N 3.42Å; L3-Y6 CarbonylContact O-C 3.59Å; L3-Y6 PolarHBondContact O-N 3.02Å; E4-Y6 PolarHBondContact O-N 3.05Å; Y6-A8 VanDerWaalsContact C-N 3.27Å; Y6-A8 PolarHBondContact O-N 3.41Å; Y6-L9 HydrophobicContact CD1-CD1 4.18Å; Y6-L14 HydrophobicContact CD1-CD2 4.2Å; Y6-L14 HydrophobicContact CG-CD2 4.46Å; Y6-L17 HydrophobicContact CD1-CD2 3.96Å; Y6-L17 HydrophobicContact CE1-CD2 3.35Å; Y6-E26 HydrophobicContact CE2-CG 4.22Å; Y6-E26 WeakPolarHBondContact OH-CG 3.39Å; Y6-E26 PolarHBondContact OH-OE1 3.38Å; Y6-L29 HydrophobicContact CD2-CD2 4.02Å; Y6-L29 HydrophobicContact CD2-CG 4.12Å; Y6-L29 HydrophobicContact CE2-CD2 3.95Å; Y6-L29 HydrophobicContact CE2-CG 4.39Å; Y6-I30 HydrophobicContact CD1-CG1 4.25Å; Y6-I30 HydrophobicContact CD2-CG1 4.37Å; Y6-I30 HydrophobicContact CE1-CG1 4.17Å; Y6-I30 HydrophobicContact CE2-CG1 4.25Å; Y6-I30 HydrophobicContact CG-CG1 4.36Å
7	S	78.3	Confident	81.2	Confident	46 Å²	46	67.9 Å²	67.9	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-76.1	-14.9	-179.1	78.2	0	0	0	0	114.1	L3 E4	L3-S7 WeakPolarHBondContact O-CB 3.46Å; L3-S7 PolarHBondContact O-N 2.98Å; E4-S7 WeakPolarHBondContact CA-OG 3.45Å; E4-S7 WeakPolarHBondContact O-CB 3.2Å; E4-S7 PolarHBondContact O-N 2.59Å; E4-S7 PolarHBondContact O-OG 3.37Å
8	A	81.8	Confident	81.7	Confident	88 Å²	88	65.5 Å²	65.5	73%	0.727	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-4.1	179.6	0	0	0	0	0	114.4	Y6	Y6-A8 VanDerWaalsContact C-N 3.27Å; Y6-A8 PolarHBondContact O-N 3.41Å
9	L	84.6	Confident	82	Confident	65 Å²	65	68.5 Å²	68.5	34%	0.34	39%	0.393	S	S	.	.	S	Bend	trans	-90.2	146.1	176.3	-67.8	177.6	0	0	0	111.1	Y6 L14	Y6-L9 HydrophobicContact CD1-CD1 4.18Å; L9-L14 HydrophobicContact CB-CD2 3.9Å; L9-L14 HydrophobicContact CB-CG 3.81Å; L9-L14 HydrophobicContact CD1-CD2 4.09Å
10	D	87.3	Confident	82.2	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	40%	0.402	S	S	.	.			trans	-71.9	162.7	174.2	72.2	-78.4	0	0	0	112.2	S12 S13 L14	D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 VanDerWaalsContact OD2-CA 3.3Å; D10-S12 WeakPolarHBondContact OD2-CA 3.46Å; D10-S12 WeakPolarHBondContact OD2-CB 3.16Å; D10-S12 PolarHBondContact OD2-N 3.24Å; D10-S12 PolarHBondContact OD2-OG 3.3Å; D10-S13 PolarHBondContact O-N 2.89Å; D10-S13 WeakPolarHBondContact OD1-CB 3.19Å; D10-S13 PolarHBondContact OD1-OG 3.06Å; D10-S13 PolarHBondContact OD2-N 3.06Å; D10-L14 WeakPolarHBondContact O-CB 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.5Å; D10-L14 PolarHBondContact O-N 3.41Å
11	E	89.9	Confident	82.4	Confident	26 Å²	26	65.2 Å²	65.2	12%	0.121	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-24.4	-174.9	-151.6	-159	-161.4	0	0	113.5	R15 I34 L37 R38	E11-R15 WeakPolarHBondContact O-CB 3.2Å; E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 3.08Å; E11-R15 IonicContact OE1-CZ 3.64Å; E11-R15 IonicContact OE1-NH1 3.66Å; E11-R15 IonicContact OE1-NH2 3.97Å; E11-R15 PolarHBondContact OE1-NH2 3.1Å; E11-R15 IonicContact OE2-CZ 3.33Å; E11-R15 VanDerWaalsContact OE2-CZ 3.22Å; E11-R15 IonicContact OE2-NH1 2.7Å; E11-R15 PolarHBondContact OE2-NH1 3.48Å; E11-R15 IonicContact OE2-NH2 3.45Å; E11-R15 PolarHBondContact OE2-NH2 2.85Å; E11-I34 HydrophobicContact CG-CG2 4.16Å; E11-L37 HydrophobicContact CB-CD2 3.86Å; E11-L37 HydrophobicContact CG-CD2 4.34Å; E11-R38 WeakPolarHBondContact OE1-CG 3.26Å; E11-R38 IonicContact OE1-CZ 3.05Å; E11-R38 IonicContact OE1-NE 2.62Å; E11-R38 PolarHBondContact OE1-NE 3.45Å; E11-R38 IonicContact OE1-NH2 2.57Å; E11-R38 IonicContact OE2-CZ 2.66Å; E11-R38 IonicContact OE2-NE 3.27Å; E11-R38 PolarHBondContact OE2-NE 3.15Å; E11-R38 IonicContact OE2-NH2 2.83Å; E11-R38 PolarHBondContact OE2-NH2 3.05Å
12	S	88.6	Confident	83.7	Confident	82 Å²	82	65 Å²	65	57%	0.573	39%	0.387	S	S	*	.	H	α-helix	trans	-71.8	-50.1	174.8	-6.6	0	0	0	0	110.2	D10 L14 R15 A16	D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 VanDerWaalsContact OD2-CA 3.3Å; D10-S12 WeakPolarHBondContact OD2-CA 3.46Å; D10-S12 WeakPolarHBondContact OD2-CB 3.16Å; D10-S12 PolarHBondContact OD2-N 3.24Å; D10-S12 PolarHBondContact OD2-OG 3.3Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 2.93Å; S12-R15 PolarHBondContact O-N 3.1Å; S12-A16 PolarHBondContact O-N 2.82Å
13	S	91.4	Very high	84.9	Confident	50 Å²	50	66.9 Å²	66.9	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-41.8	175	-63.3	0	0	0	0	112	D10 R15 A16 L17	D10-S13 PolarHBondContact O-N 2.89Å; D10-S13 WeakPolarHBondContact OD1-CB 3.19Å; D10-S13 PolarHBondContact OD1-OG 3.06Å; D10-S13 PolarHBondContact OD2-N 3.06Å; S13-R15 VanDerWaalsContact C-N 3.34Å; S13-R15 PolarHBondContact O-N 3.17Å; S13-A16 PolarHBondContact O-N 2.83Å; S13-L17 WeakPolarHBondContact O-CB 3.46Å; S13-L17 PolarHBondContact O-N 2.86Å
14	L	90.6	Very high	85.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-63.7	-36.1	175.2	-72.6	173	0	0	0	112.7	Y6 L9 D10 S12 L18 I30 A33 I34 L37	Y6-L14 HydrophobicContact CD1-CD2 4.2Å; Y6-L14 HydrophobicContact CG-CD2 4.46Å; L9-L14 HydrophobicContact CB-CD2 3.9Å; L9-L14 HydrophobicContact CB-CG 3.81Å; L9-L14 HydrophobicContact CD1-CD2 4.09Å; D10-L14 WeakPolarHBondContact O-CB 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.5Å; D10-L14 PolarHBondContact O-N 3.41Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 2.93Å; L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.08Å; L14-I30 HydrophobicContact CB-CG2 4.41Å; L14-I30 HydrophobicContact CD2-CG2 4.23Å; L14-I30 VanDerWaalsContact O-CG2 3.29Å; L14-I30 WeakPolarHBondContact O-CG2 3.4Å; L14-A33 HydrophobicContact CD1-CB 4.13Å; L14-A33 HydrophobicContact CD2-CB 4.2Å; L14-I34 HydrophobicContact CB-CD1 4.03Å; L14-I34 HydrophobicContact CB-CG1 3.6Å; L14-I34 HydrophobicContact CD1-CG1 4.03Å; L14-I34 HydrophobicContact CG-CG1 4.4Å; L14-L37 HydrophobicContact CD1-CD2 3.99Å
15	R	89.3	Confident	86.6	Confident	118 Å²	118	65.9 Å²	65.9	45%	0.445	39%	0.393	S	S	.	.	H	α-helix	trans	-70.5	-43.6	172.8	-79.2	-168.1	-171	90.9	5.6	112.9	E11 S12 S13 L17 L18 D19 I34	E11-R15 WeakPolarHBondContact O-CB 3.2Å; E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 3.08Å; E11-R15 IonicContact OE1-CZ 3.64Å; E11-R15 IonicContact OE1-NH1 3.66Å; E11-R15 IonicContact OE1-NH2 3.97Å; E11-R15 PolarHBondContact OE1-NH2 3.1Å; E11-R15 IonicContact OE2-CZ 3.33Å; E11-R15 VanDerWaalsContact OE2-CZ 3.22Å; E11-R15 IonicContact OE2-NH1 2.7Å; E11-R15 PolarHBondContact OE2-NH1 3.48Å; E11-R15 IonicContact OE2-NH2 3.45Å; E11-R15 PolarHBondContact OE2-NH2 2.85Å; S12-R15 PolarHBondContact O-N 3.1Å; S13-R15 VanDerWaalsContact C-N 3.34Å; S13-R15 PolarHBondContact O-N 3.17Å; R15-L17 VanDerWaalsContact C-N 3.27Å; R15-L17 PolarHBondContact O-N 3.5Å; R15-L18 WeakPolarHBondContact O-CB 3.29Å; R15-L18 PolarHBondContact O-N 3.19Å; R15-L18 VanDerWaalsContact O-N 3.09Å; R15-D19 PolarHBondContact O-N 2.92Å; R15-D19 VanDerWaalsContact O-N 3.14Å; R15-I34 HydrophobicContact CG-CD1 4.35Å
16	A	90.1	Very high	87.1	Confident	70 Å²	70	65.2 Å²	65.2	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-58.9	-42.5	176.5	0	0	0	0	0	111	S12 S13 D19 G20	S12-A16 PolarHBondContact O-N 2.82Å; S13-A16 PolarHBondContact O-N 2.83Å; A16-D19 PolarHBondContact O-N 2.93Å; A16-G20 PolarHBondContact O-N 3.43Å; A16-G20 VanDerWaalsContact O-N 3.11Å
17	L	88.9	Confident	87.5	Confident	50 Å²	50	68.5 Å²	68.5	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-67.6	-39.1	173.1	-166.8	70	0	0	0	112.1	Y6 S13 R15 D19 G20 T21 I30	Y6-L17 HydrophobicContact CD1-CD2 3.96Å; Y6-L17 HydrophobicContact CE1-CD2 3.35Å; S13-L17 WeakPolarHBondContact O-CB 3.46Å; S13-L17 PolarHBondContact O-N 2.86Å; R15-L17 VanDerWaalsContact C-N 3.27Å; R15-L17 PolarHBondContact O-N 3.5Å; L17-D19 PolarHBondContact O-N 3.41Å; L17-D19 VanDerWaalsContact O-N 3.16Å; L17-G20 PolarHBondContact O-N 3.47Å; L17-G20 VanDerWaalsContact O-N 3.13Å; L17-T21 WeakPolarHBondContact O-CB 3.25Å; L17-T21 PolarHBondContact O-N 2.93Å; L17-T21 PolarHBondContact O-OG1 3.15Å; L17-I30 HydrophobicContact CB-CD1 4.46Å; L17-I30 HydrophobicContact CD2-CD1 3.7Å; L17-I30 HydrophobicContact CD2-CG1 4.22Å; L17-I30 HydrophobicContact CG-CD1 3.8Å
18	L	89.3	Confident	88	Confident	24 Å²	24	74 Å²	74	13%	0.126	41%	0.411	C	S	.	.	H	α-helix	trans	-58.8	-28.4	177.3	-170.2	71.8	0	0	0	113.3	L14 R15 R27 I30 R31 I34	L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.08Å; R15-L18 WeakPolarHBondContact O-CB 3.29Å; R15-L18 PolarHBondContact O-N 3.19Å; R15-L18 VanDerWaalsContact O-N 3.09Å; L18-R27 HydrophobicContact CD1-CG 3.5Å; L18-R27 VanDerWaalsContact CD1-CG 3.5Å; L18-R27 HydrophobicContact CG-CG 4.3Å; L18-R27 PolarHBondContact O-NE 2.68Å; L18-R27 PolarHBondContact O-NH2 3.34Å; L18-I30 HydrophobicContact CB-CG2 3.9Å; L18-I30 HydrophobicContact CD1-CB 3.93Å; L18-I30 HydrophobicContact CD1-CG2 3.69Å; L18-I30 HydrophobicContact CG-CG2 4.4Å; L18-R31 HydrophobicContact CD1-CG 3.6Å; L18-R31 HydrophobicContact CD2-CG 4.2Å; L18-I34 HydrophobicContact CB-CD1 4.47Å; L18-I34 HydrophobicContact CD2-CD1 4Å
19	D	86.8	Confident	88.5	Confident	122 Å²	122	72.4 Å²	72.4	65%	0.652	39%	0.39	S	S	*	.	H	α-helix	trans	-96.4	-18.1	177.4	-70.4	-24.9	0	0	0	113.6	R15 A16 L17 R27	R15-D19 PolarHBondContact O-N 2.92Å; R15-D19 VanDerWaalsContact O-N 3.14Å; A16-D19 PolarHBondContact O-N 2.93Å; L17-D19 PolarHBondContact O-N 3.41Å; L17-D19 VanDerWaalsContact O-N 3.16Å; D19-R27 IonicContact OD1-NH2 2.73Å; D19-R27 PolarHBondContact OD1-NH2 3.46Å
20	G	86.1	Confident	88.7	Confident	56 Å²	56	69.3 Å²	69.3	58%	0.577	37%	0.374	S	S	*	.	H	α-helix	trans	-82.4	-31	168.4	0	0	0	0	0	114.9	A16 L17 L22	A16-G20 PolarHBondContact O-N 3.43Å; A16-G20 VanDerWaalsContact O-N 3.11Å; L17-G20 PolarHBondContact O-N 3.47Å; L17-G20 VanDerWaalsContact O-N 3.13Å; G20-L22 PolarHBondContact O-N 2.72Å
21	T	88	Confident	88.9	Confident	12 Å²	12	71.5 Å²	71.5	7%	0.074	38%	0.376	C	S	.	.			trans	-75.4	116	-178.2	-69.3	0	0	0	0	111.2	L17 D23 E26 R27 I30	L17-T21 WeakPolarHBondContact O-CB 3.25Å; L17-T21 PolarHBondContact O-N 2.93Å; L17-T21 PolarHBondContact O-OG1 3.15Å; T21-D23 HydrophobicContact CG2-CB 4.36Å; T21-E26 HydrophobicContact CG2-CB 3.89Å; T21-E26 HydrophobicContact CG2-CG 3.99Å; T21-E26 WeakPolarHBondContact CG2-OE2 3.4Å; T21-E26 PolarHBondContact OG1-OE2 3.35Å; T21-R27 HydrophobicContact CG2-CB 4.23Å; T21-I30 HydrophobicContact CG2-CD1 4.26Å
22	L	84.8	Confident	89	Confident	130 Å²	130	72.4 Å²	72.4	68%	0.681	39%	0.386	S	S	*	.			trans	-84.5	-25.8	175.8	-62.8	178.8	0	0	0	113.5	G20 T645	G20-L22 PolarHBondContact O-N 2.72Å; L22-T645 HydrophobicContact CD1-CG2 4.32Å
23	D	89.7	Confident	89.1	Confident	88 Å²	88	68.6 Å²	68.6	47%	0.471	36%	0.359	S	S	.	.			trans	-67.7	138.7	177.7	175.8	51.4	0	0	0	111.9	T21 D25 E26 R27	T21-D23 HydrophobicContact CG2-CB 4.36Å; D23-D25 PolarHBondContact OD2-N 3.47Å; D23-D25 VanDerWaalsContact OD2-N 3.11Å; D23-E26 HydrophobicContact CB-CB 4.23Å; D23-E26 WeakPolarHBondContact OD2-CB 3.27Å; D23-E26 PolarHBondContact OD2-N 3.07Å; D23-R27 WeakPolarHBondContact O-CB 3.24Å; D23-R27 PolarHBondContact O-N 3.02Å; D23-R27 VanDerWaalsContact O-N 3.14Å
24	L	87	Confident	89.1	Confident	124 Å²	124	67.4 Å²	67.4	65%	0.649	35%	0.349	S	S	*	.	H	α-helix	trans	-78.1	-30.9	-174	-69.7	177.8	0	0	0	113.3	R28	L24-R28 WeakPolarHBondContact O-CG 3.48Å; L24-R28 PolarHBondContact O-N 2.83Å
25	D	86.5	Confident	89.1	Confident	94 Å²	94	75.2 Å²	75.2	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-90.9	-34.7	-174.1	-69	-26.7	0	0	0	111.8	D23 R27 R28 L29	D23-D25 PolarHBondContact OD2-N 3.47Å; D23-D25 VanDerWaalsContact OD2-N 3.11Å; D25-R27 VanDerWaalsContact C-N 3.3Å; D25-R27 PolarHBondContact O-N 2.85Å; D25-R28 WeakPolarHBondContact O-CB 3.39Å; D25-R28 PolarHBondContact O-N 3.22Å; D25-R28 VanDerWaalsContact O-N 3.13Å; D25-R28 WeakPolarHBondContact OD1-CD 3.45Å; D25-R28 IonicContact OD1-CZ 3.72Å; D25-R28 IonicContact OD1-NE 2.78Å; D25-R28 PolarHBondContact OD1-NE 2.77Å; D25-R28 IonicContact OD1-NH2 2.72Å; D25-R28 PolarHBondContact OD1-NH2 3.36Å; D25-L29 PolarHBondContact O-N 2.87Å
26	E	89.3	Confident	89.2	Confident	52 Å²	52	72.9 Å²	72.9	24%	0.243	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-39.8	162.5	-168.8	172.6	-97.8	0	0	110.8	M1 Y6 T21 D23 R28 L29 I30	M1-E26 PolarHBondContact N-OE1 2.81Å; Y6-E26 HydrophobicContact CE2-CG 4.22Å; Y6-E26 WeakPolarHBondContact OH-CG 3.39Å; Y6-E26 PolarHBondContact OH-OE1 3.38Å; T21-E26 HydrophobicContact CG2-CB 3.89Å; T21-E26 HydrophobicContact CG2-CG 3.99Å; T21-E26 WeakPolarHBondContact CG2-OE2 3.4Å; T21-E26 PolarHBondContact OG1-OE2 3.35Å; D23-E26 HydrophobicContact CB-CB 4.23Å; D23-E26 WeakPolarHBondContact OD2-CB 3.27Å; D23-E26 PolarHBondContact OD2-N 3.07Å; E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 3.21Å; E26-L29 WeakPolarHBondContact O-CB 3.22Å; E26-L29 PolarHBondContact O-N 2.97Å; E26-I30 HydrophobicContact CG-CD1 4.11Å; E26-I30 WeakPolarHBondContact O-CG1 3.32Å; E26-I30 PolarHBondContact O-N 2.81Å
27	R	90.1	Very high	89.3	Confident	70 Å²	70	71.6 Å²	71.6	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-67.8	-24	173.2	-162	173	-162.9	-169.8	6.4	113.3	L18 D19 T21 D23 D25 R31	L18-R27 HydrophobicContact CD1-CG 3.5Å; L18-R27 VanDerWaalsContact CD1-CG 3.5Å; L18-R27 HydrophobicContact CG-CG 4.3Å; L18-R27 PolarHBondContact O-NE 2.68Å; L18-R27 PolarHBondContact O-NH2 3.34Å; D19-R27 IonicContact OD1-NH2 2.73Å; D19-R27 PolarHBondContact OD1-NH2 3.46Å; T21-R27 HydrophobicContact CG2-CB 4.23Å; D23-R27 WeakPolarHBondContact O-CB 3.24Å; D23-R27 PolarHBondContact O-N 3.02Å; D23-R27 VanDerWaalsContact O-N 3.14Å; D25-R27 VanDerWaalsContact C-N 3.3Å; D25-R27 PolarHBondContact O-N 2.85Å; R27-R31 VanDerWaalsContact O-CD 3.31Å; R27-R31 WeakPolarHBondContact O-CD 3.24Å; R27-R31 WeakPolarHBondContact O-CG 3.48Å; R27-R31 PolarHBondContact O-N 3.44Å
28	R	89.1	Confident	89.4	Confident	161 Å²	161	74 Å²	74	61%	0.608	36%	0.361	S	S	*	.	H	α-helix	trans	-72.1	-42.1	165.5	-70.9	171.8	-153	-150.6	11.7	111.2	L24 D25 E26 R31 S32	L24-R28 WeakPolarHBondContact O-CG 3.48Å; L24-R28 PolarHBondContact O-N 2.83Å; D25-R28 WeakPolarHBondContact O-CB 3.39Å; D25-R28 PolarHBondContact O-N 3.22Å; D25-R28 VanDerWaalsContact O-N 3.13Å; D25-R28 WeakPolarHBondContact OD1-CD 3.45Å; D25-R28 IonicContact OD1-CZ 3.72Å; D25-R28 IonicContact OD1-NE 2.78Å; D25-R28 PolarHBondContact OD1-NE 2.77Å; D25-R28 IonicContact OD1-NH2 2.72Å; D25-R28 PolarHBondContact OD1-NH2 3.36Å; E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 3.21Å; R28-R31 CarbonylContact O-C 3.6Å; R28-R31 WeakPolarHBondContact O-CB 3.24Å; R28-R31 PolarHBondContact O-N 3.45Å; R28-S32 PolarHBondContact O-N 2.84Å
29	L	90.4	Very high	89.5	Confident	54 Å²	54	78.7 Å²	78.7	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-44.1	-178	-162.3	62.8	0	0	0	111.5	M1 L3 Y6 D25 E26 R31 S32 A33	M1-L29 VanDerWaalsContact O-CD2 3.26Å; M1-L29 WeakPolarHBondContact O-CD2 3.38Å; L3-L29 HydrophobicContact CB-CD1 4.21Å; L3-L29 HydrophobicContact CD1-CD1 3.67Å; L3-L29 HydrophobicContact CD1-CG 4.19Å; Y6-L29 HydrophobicContact CD2-CD2 4.02Å; Y6-L29 HydrophobicContact CD2-CG 4.12Å; Y6-L29 HydrophobicContact CE2-CD2 3.95Å; Y6-L29 HydrophobicContact CE2-CG 4.39Å; D25-L29 PolarHBondContact O-N 2.87Å; E26-L29 WeakPolarHBondContact O-CB 3.22Å; E26-L29 PolarHBondContact O-N 2.97Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.08Å; L29-S32 CarbonylContact O-C 3.54Å; L29-S32 WeakPolarHBondContact O-CA 3.37Å; L29-S32 WeakPolarHBondContact O-CB 3.22Å; L29-S32 PolarHBondContact O-N 2.71Å; L29-A33 PolarHBondContact O-N 3.49Å
30	I	90.5	Very high	89.6	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-39.6	172.7	-62.5	161.7	0	0	0	110.9	Y6 L14 L17 L18 T21 E26 S32 A33 I34	Y6-I30 HydrophobicContact CD1-CG1 4.25Å; Y6-I30 HydrophobicContact CD2-CG1 4.37Å; Y6-I30 HydrophobicContact CE1-CG1 4.17Å; Y6-I30 HydrophobicContact CE2-CG1 4.25Å; Y6-I30 HydrophobicContact CG-CG1 4.36Å; L14-I30 HydrophobicContact CB-CG2 4.41Å; L14-I30 HydrophobicContact CD2-CG2 4.23Å; L14-I30 VanDerWaalsContact O-CG2 3.29Å; L14-I30 WeakPolarHBondContact O-CG2 3.4Å; L17-I30 HydrophobicContact CB-CD1 4.46Å; L17-I30 HydrophobicContact CD2-CD1 3.7Å; L17-I30 HydrophobicContact CD2-CG1 4.22Å; L17-I30 HydrophobicContact CG-CD1 3.8Å; L18-I30 HydrophobicContact CB-CG2 3.9Å; L18-I30 HydrophobicContact CD1-CB 3.93Å; L18-I30 HydrophobicContact CD1-CG2 3.69Å; L18-I30 HydrophobicContact CG-CG2 4.4Å; T21-I30 HydrophobicContact CG2-CD1 4.26Å; E26-I30 HydrophobicContact CG-CD1 4.11Å; E26-I30 WeakPolarHBondContact O-CG1 3.32Å; E26-I30 PolarHBondContact O-N 2.81Å; I30-S32 VanDerWaalsContact C-N 3.28Å; I30-S32 PolarHBondContact O-N 3.18Å; I30-A33 PolarHBondContact O-N 3.13Å; I30-I34 HydrophobicContact CG2-CD1 4.03Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 3.23Å
31	R	91.5	Very high	89.8	Confident	118 Å²	118	78.2 Å²	78.2	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-25.6	172.1	-73.1	168.5	-173.2	169.6	3.4	113.5	L18 R27 R28 L29 R35	L18-R31 HydrophobicContact CD1-CG 3.6Å; L18-R31 HydrophobicContact CD2-CG 4.2Å; R27-R31 VanDerWaalsContact O-CD 3.31Å; R27-R31 WeakPolarHBondContact O-CD 3.24Å; R27-R31 WeakPolarHBondContact O-CG 3.48Å; R27-R31 PolarHBondContact O-N 3.44Å; R28-R31 CarbonylContact O-C 3.6Å; R28-R31 WeakPolarHBondContact O-CB 3.24Å; R28-R31 PolarHBondContact O-N 3.45Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.08Å; R31-R35 VanDerWaalsContact O-CG 3.28Å; R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 2.74Å; R31-R35 PolarHBondContact O-NE 2.75Å
32	S	91.1	Very high	89.8	Confident	46 Å²	46	81.8 Å²	81.8	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-73.7	-47.5	167.7	-89.8	0	0	0	0	111.1	R28 L29 I30 I34 R35 E36	R28-S32 PolarHBondContact O-N 2.84Å; L29-S32 CarbonylContact O-C 3.54Å; L29-S32 WeakPolarHBondContact O-CA 3.37Å; L29-S32 WeakPolarHBondContact O-CB 3.22Å; L29-S32 PolarHBondContact O-N 2.71Å; I30-S32 VanDerWaalsContact C-N 3.28Å; I30-S32 PolarHBondContact O-N 3.18Å; S32-I34 VanDerWaalsContact C-N 3.33Å; S32-I34 PolarHBondContact O-N 3.36Å; S32-R35 PolarHBondContact O-N 2.93Å; S32-R35 VanDerWaalsContact O-N 3.11Å; S32-R35 PolarHBondContact OG-NH2 3.43Å; S32-E36 WeakPolarHBondContact O-CB 3.43Å; S32-E36 PolarHBondContact O-N 2.66Å
33	A	90.8	Very high	90	Very high	2 Å²	2	80.2 Å²	80.2	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-56.5	-43.9	177.6	0	0	0	0	0	112.4	L14 L29 I30 R35 E36 L37	L14-A33 HydrophobicContact CD1-CB 4.13Å; L14-A33 HydrophobicContact CD2-CB 4.2Å; L29-A33 PolarHBondContact O-N 3.49Å; I30-A33 PolarHBondContact O-N 3.13Å; A33-R35 PolarHBondContact O-N 3.41Å; A33-E36 PolarHBondContact O-N 2.88Å; A33-L37 VanDerWaalsContact O-CB 3.25Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 PolarHBondContact O-N 3.49Å
34	I	90.9	Very high	89.9	Confident	24 Å²	24	81.3 Å²	81.3	12%	0.123	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-43.4	175.6	-67.5	166.1	0	0	0	111.9	E11 L14 R15 L18 I30 S32 E36 R38	E11-I34 HydrophobicContact CG-CG2 4.16Å; L14-I34 HydrophobicContact CB-CD1 4.03Å; L14-I34 HydrophobicContact CB-CG1 3.6Å; L14-I34 HydrophobicContact CD1-CG1 4.03Å; L14-I34 HydrophobicContact CG-CG1 4.4Å; R15-I34 HydrophobicContact CG-CD1 4.35Å; L18-I34 HydrophobicContact CB-CD1 4.47Å; L18-I34 HydrophobicContact CD2-CD1 4Å; I30-I34 HydrophobicContact CG2-CD1 4.03Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 3.23Å; S32-I34 VanDerWaalsContact C-N 3.33Å; S32-I34 PolarHBondContact O-N 3.36Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-R38 WeakPolarHBondContact O-CB 3.5Å; I34-R38 WeakPolarHBondContact O-CG 3.48Å; I34-R38 PolarHBondContact O-N 2.93Å
35	R	92	Very high	89.8	Confident	164 Å²	164	80 Å²	80	62%	0.619	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-37.1	177.5	-74.5	179.7	-63.7	162.5	6.6	112	R31 S32 A33 R39	R31-R35 VanDerWaalsContact O-CG 3.28Å; R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 2.74Å; R31-R35 PolarHBondContact O-NE 2.75Å; S32-R35 PolarHBondContact O-N 2.93Å; S32-R35 VanDerWaalsContact O-N 3.11Å; S32-R35 PolarHBondContact OG-NH2 3.43Å; A33-R35 PolarHBondContact O-N 3.41Å; R35-R39 PolarHBondContact O-N 2.97Å
36	E	91.4	Very high	89.5	Confident	70 Å²	70	81.8 Å²	81.8	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-80.1	-31	-177.7	-161.9	56.9	-150.4	0	0	112.6	S32 A33 I34 R39 R40	S32-E36 WeakPolarHBondContact O-CB 3.43Å; S32-E36 PolarHBondContact O-N 2.66Å; A33-E36 PolarHBondContact O-N 2.88Å; I34-E36 VanDerWaalsContact C-N 3.33Å; E36-R39 VanDerWaalsContact CD-NE 3.27Å; E36-R39 WeakPolarHBondContact O-CB 3.46Å; E36-R39 PolarHBondContact O-N 2.9Å; E36-R39 VanDerWaalsContact OE1-CD 3.27Å; E36-R39 WeakPolarHBondContact OE1-CD 3.4Å; E36-R39 IonicContact OE1-NE 3.54Å; E36-R39 PolarHBondContact OE1-NE 3.02Å; E36-R39 IonicContact OE2-CZ 3.45Å; E36-R39 IonicContact OE2-NE 2.69Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 3.08Å; E36-R39 PolarHBondContact OE2-NH2 3.44Å; E36-R40 PolarHBondContact O-N 3.08Å
37	L	92.1	Very high	89.2	Confident	42 Å²	42	82 Å²	82	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-65.5	-45.5	167.9	-178.1	64.3	0	0	0	110.6	E11 L14 A33 R39 R40 E41	E11-L37 HydrophobicContact CB-CD2 3.86Å; E11-L37 HydrophobicContact CG-CD2 4.34Å; L14-L37 HydrophobicContact CD1-CD2 3.99Å; A33-L37 VanDerWaalsContact O-CB 3.25Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 PolarHBondContact O-N 3.49Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.23Å; L37-R40 PolarHBondContact O-N 3.37Å; L37-E41 WeakPolarHBondContact O-CB 3.41Å; L37-E41 PolarHBondContact O-N 3.07Å
38	R	89.5	Confident	88.7	Confident	100 Å²	100	80.6 Å²	80.6	38%	0.377	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-29.8	173.5	-76.1	-56.3	-167	173.5	-10.3	113.3	E11 I34 E41 I42	E11-R38 WeakPolarHBondContact OE1-CG 3.26Å; E11-R38 IonicContact OE1-CZ 3.05Å; E11-R38 IonicContact OE1-NE 2.62Å; E11-R38 PolarHBondContact OE1-NE 3.45Å; E11-R38 IonicContact OE1-NH2 2.57Å; E11-R38 IonicContact OE2-CZ 2.66Å; E11-R38 IonicContact OE2-NE 3.27Å; E11-R38 PolarHBondContact OE2-NE 3.15Å; E11-R38 IonicContact OE2-NH2 2.83Å; E11-R38 PolarHBondContact OE2-NH2 3.05Å; I34-R38 WeakPolarHBondContact O-CB 3.5Å; I34-R38 WeakPolarHBondContact O-CG 3.48Å; I34-R38 PolarHBondContact O-N 2.93Å; R38-E41 WeakPolarHBondContact CD-OE2 3.14Å; R38-E41 IonicContact CZ-OE2 3.21Å; R38-E41 VanDerWaalsContact CZ-OE2 3.27Å; R38-E41 IonicContact NE-OE2 2.84Å; R38-E41 PolarHBondContact NE-OE2 3.17Å; R38-E41 IonicContact NH1-OE1 2.74Å; R38-E41 PolarHBondContact NH1-OE1 2.86Å; R38-E41 VanDerWaalsContact NH1-OE1 3.08Å; R38-E41 IonicContact NH1-OE2 2.84Å; R38-E41 PolarHBondContact NH1-OE2 3.1Å; R38-I42 WeakPolarHBondContact O-CB 3.14Å; R38-I42 WeakPolarHBondContact O-CD1 3.33Å; R38-I42 VanDerWaalsContact O-CG1 3.22Å; R38-I42 WeakPolarHBondContact O-CG1 3.29Å; R38-I42 PolarHBondContact O-N 3.44Å
39	R	91.3	Very high	88	Confident	124 Å²	124	78 Å²	78	47%	0.468	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-57	168.8	-176.3	-158	-57.6	-77.4	-1.1	110.1	R35 E36 L37 E41 I42 E43	R35-R39 PolarHBondContact O-N 2.97Å; E36-R39 VanDerWaalsContact CD-NE 3.27Å; E36-R39 WeakPolarHBondContact O-CB 3.46Å; E36-R39 PolarHBondContact O-N 2.9Å; E36-R39 VanDerWaalsContact OE1-CD 3.27Å; E36-R39 WeakPolarHBondContact OE1-CD 3.4Å; E36-R39 IonicContact OE1-NE 3.54Å; E36-R39 PolarHBondContact OE1-NE 3.02Å; E36-R39 IonicContact OE2-CZ 3.45Å; E36-R39 IonicContact OE2-NE 2.69Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 3.08Å; E36-R39 PolarHBondContact OE2-NH2 3.44Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.23Å; R39-E41 VanDerWaalsContact C-N 3.32Å; R39-E41 PolarHBondContact O-N 3.42Å; R39-I42 CarbonylContact O-C 3.57Å; R39-I42 WeakPolarHBondContact O-CA 3.38Å; R39-I42 WeakPolarHBondContact O-CB 3.2Å; R39-I42 PolarHBondContact O-N 3.28Å; R39-E43 WeakPolarHBondContact CD-OE1 3.37Å; R39-E43 HydrophobicContact CG-CG 4.32Å; R39-E43 WeakPolarHBondContact CG-OE1 3.49Å; R39-E43 PolarHBondContact O-N 2.86Å
40	R	90.4	Very high	87.1	Confident	91 Å²	91	77.6 Å²	77.6	34%	0.343	38%	0.378	S	S	.	.	H	α-helix	trans	-57.8	-41.8	-179.5	-88.6	178.2	-87.5	141.5	-6.9	112.6	E36 L37 I42 E43 D44	E36-R40 PolarHBondContact O-N 3.08Å; L37-R40 PolarHBondContact O-N 3.37Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.13Å; R40-E43 CarbonylContact O-C 3.54Å; R40-E43 PolarHBondContact O-N 3.21Å; R40-D44 VanDerWaalsContact O-CB 3.3Å; R40-D44 WeakPolarHBondContact O-CB 3.18Å; R40-D44 PolarHBondContact O-N 3.44Å
41	E	88.9	Confident	85.9	Confident	77 Å²	77	82 Å²	82	36%	0.36	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-35.9	175	-171.8	-168.3	-174.5	0	0	112.8	L37 R38 R39 M45	L37-E41 WeakPolarHBondContact O-CB 3.41Å; L37-E41 PolarHBondContact O-N 3.07Å; R38-E41 WeakPolarHBondContact CD-OE2 3.14Å; R38-E41 IonicContact CZ-OE2 3.21Å; R38-E41 VanDerWaalsContact CZ-OE2 3.27Å; R38-E41 IonicContact NE-OE2 2.84Å; R38-E41 PolarHBondContact NE-OE2 3.17Å; R38-E41 IonicContact NH1-OE1 2.74Å; R38-E41 PolarHBondContact NH1-OE1 2.86Å; R38-E41 VanDerWaalsContact NH1-OE1 3.08Å; R38-E41 IonicContact NH1-OE2 2.84Å; R38-E41 PolarHBondContact NH1-OE2 3.1Å; R39-E41 VanDerWaalsContact C-N 3.32Å; R39-E41 PolarHBondContact O-N 3.42Å; E41-M45 HydrophobicContact CG-CE 4.47Å; E41-M45 VanDerWaalsContact O-CB 3.31Å; E41-M45 WeakPolarHBondContact O-CB 3.33Å; E41-M45 VanDerWaalsContact O-CG 3.28Å; E41-M45 WeakPolarHBondContact O-CG 3.32Å; E41-M45 PolarHBondContact O-N 3.46Å
42	I	88.7	Confident	84.4	Confident	86 Å²	86	84.4 Å²	84.4	44%	0.441	42%	0.423	S	S	.	.	H	α-helix	trans	-70	-43.4	172.9	-70.5	166.7	0	0	0	110.6	R38 R39 R40 M45 E46	R38-I42 WeakPolarHBondContact O-CB 3.14Å; R38-I42 WeakPolarHBondContact O-CD1 3.33Å; R38-I42 VanDerWaalsContact O-CG1 3.22Å; R38-I42 WeakPolarHBondContact O-CG1 3.29Å; R38-I42 PolarHBondContact O-N 3.44Å; R39-I42 CarbonylContact O-C 3.57Å; R39-I42 WeakPolarHBondContact O-CA 3.38Å; R39-I42 WeakPolarHBondContact O-CB 3.2Å; R39-I42 PolarHBondContact O-N 3.28Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.13Å; I42-M45 HydrophobicContact CG1-CE 4.15Å; I42-M45 CarbonylContact O-C 3.58Å; I42-M45 PolarHBondContact O-N 2.83Å; I42-E46 HydrophobicContact CG2-CG 4.45Å; I42-E46 WeakPolarHBondContact O-CB 3.5Å; I42-E46 WeakPolarHBondContact O-CG 3.21Å; I42-E46 PolarHBondContact O-N 3.49Å
43	E	89.4	Confident	82.5	Confident	98 Å²	98	91.3 Å²	91.3	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-38.2	178.5	-72.4	168.2	179.7	0	0	111.8	R39 R40 E46 A47	R39-E43 WeakPolarHBondContact CD-OE1 3.37Å; R39-E43 HydrophobicContact CG-CG 4.32Å; R39-E43 WeakPolarHBondContact CG-OE1 3.49Å; R39-E43 PolarHBondContact O-N 2.86Å; R40-E43 CarbonylContact O-C 3.54Å; R40-E43 PolarHBondContact O-N 3.21Å; E43-E46 PolarHBondContact O-N 2.95Å; E43-A47 VanDerWaalsContact O-CB 3.22Å; E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 2.87Å
44	D	87.4	Confident	80	Confident	111 Å²	111	97.2 Å²	97.2	59%	0.594	47%	0.467	S	S	*	.	H	α-helix	trans	-68	-38.8	171.8	-76.2	-32.8	0	0	0	111.6	R40 A48	R40-D44 VanDerWaalsContact O-CB 3.3Å; R40-D44 WeakPolarHBondContact O-CB 3.18Å; R40-D44 PolarHBondContact O-N 3.44Å; D44-A48 WeakPolarHBondContact O-CB 3.23Å; D44-A48 PolarHBondContact O-N 2.77Å
45	M	84.6	Confident	77.8	Confident	96 Å²	96	103 Å²	103	47%	0.473	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-40.5	170.9	-81.6	-167.4	-64.3	0	0	111.9	E41 I42 A48 L49	E41-M45 HydrophobicContact CG-CE 4.47Å; E41-M45 VanDerWaalsContact O-CB 3.31Å; E41-M45 WeakPolarHBondContact O-CB 3.33Å; E41-M45 VanDerWaalsContact O-CG 3.28Å; E41-M45 WeakPolarHBondContact O-CG 3.32Å; E41-M45 PolarHBondContact O-N 3.46Å; I42-M45 HydrophobicContact CG1-CE 4.15Å; I42-M45 CarbonylContact O-C 3.58Å; I42-M45 PolarHBondContact O-N 2.83Å; M45-A48 PolarHBondContact O-N 2.99Å; M45-L49 VanDerWaalsContact O-CB 3.22Å; M45-L49 WeakPolarHBondContact O-CB 3.4Å; M45-L49 WeakPolarHBondContact O-CG 3.29Å; M45-L49 PolarHBondContact O-N 2.82Å
46	E	80.9	Confident	75.4	Confident	131 Å²	131	101.4 Å²	101.4	61%	0.612	50%	0.499	S	S	*	.	H	α-helix	trans	-69.9	-37.7	176.9	-75.1	-166.8	173.4	0	0	111.6	I42 E43 L49 A50	I42-E46 HydrophobicContact CG2-CG 4.45Å; I42-E46 WeakPolarHBondContact O-CB 3.5Å; I42-E46 WeakPolarHBondContact O-CG 3.21Å; I42-E46 PolarHBondContact O-N 3.49Å; E43-E46 PolarHBondContact O-N 2.95Å; E46-L49 CarbonylContact O-C 3.53Å; E46-L49 PolarHBondContact O-N 3.33Å; E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.17Å
47	A	81.8	Confident	72.8	Confident	56 Å²	56	100 Å²	100	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-42.6	171.3	0	0	0	0	0	111.6	E43 L49 A50 S51	E43-A47 VanDerWaalsContact O-CB 3.22Å; E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 2.87Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.43Å; A47-A50 PolarHBondContact O-N 3.19Å; A47-S51 WeakPolarHBondContact O-CB 3.48Å; A47-S51 PolarHBondContact O-N 2.99Å
48	A	80.3	Confident	70.6	Confident	41 Å²	41	109 Å²	109	34%	0.339	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-33.4	173.6	0	0	0	0	0	112.3	D44 M45 K52	D44-A48 WeakPolarHBondContact O-CB 3.23Å; D44-A48 PolarHBondContact O-N 2.77Å; M45-A48 PolarHBondContact O-N 2.99Å; A48-K52 VanDerWaalsContact O-CB 3.26Å; A48-K52 WeakPolarHBondContact O-CB 3.15Å; A48-K52 WeakPolarHBondContact O-CD 3.39Å; A48-K52 WeakPolarHBondContact O-CG 3.47Å; A48-K52 PolarHBondContact O-N 3.13Å
49	L	74.2	Confident	68.4	Low	107 Å²	107	109.3 Å²	109.3	56%	0.56	53%	0.534	S	S	*	.	H	α-helix	trans	-76.5	-28.6	173.8	-74.8	169	0	0	0	112.4	M45 E46 A47 R53	M45-L49 VanDerWaalsContact O-CB 3.22Å; M45-L49 WeakPolarHBondContact O-CB 3.4Å; M45-L49 WeakPolarHBondContact O-CG 3.29Å; M45-L49 PolarHBondContact O-N 2.82Å; E46-L49 CarbonylContact O-C 3.53Å; E46-L49 PolarHBondContact O-N 3.33Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.43Å; L49-R53 WeakPolarHBondContact O-CB 3.27Å; L49-R53 VanDerWaalsContact O-CG 3.26Å; L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 3.23Å
50	A	71.1	Confident	65.8	Low	46 Å²	46	106.6 Å²	106.6	38%	0.38	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-49.9	168.8	0	0	0	0	0	110.3	E46 A47 K52 R53 F54	E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.17Å; A47-A50 PolarHBondContact O-N 3.19Å; A50-K52 PolarHBondContact O-N 2.94Å; A50-R53 PolarHBondContact O-N 2.68Å; A50-F54 WeakPolarHBondContact O-CD2 3.46Å; A50-F54 PolarHBondContact O-N 3.11Å
51	S	65.8	Low	63.4	Low	93 Å²	93	108.6 Å²	108.6	65%	0.65	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-17.8	175.3	-169.5	0	0	0	0	113.8	A47 F54	A47-S51 WeakPolarHBondContact O-CB 3.48Å; A47-S51 PolarHBondContact O-N 2.99Å; S51-F54 CarbonylContact C-O 3.58Å
52	K	60.6	Low	61.3	Low	168 Å²	168	110 Å²	110	73%	0.73	55%	0.549	S	S	*	.	H	α-helix	trans	-99.5	-19.8	169.2	-71	168	-176.2	172.3	0	114.3	A48 A50 F54	A48-K52 VanDerWaalsContact O-CB 3.26Å; A48-K52 WeakPolarHBondContact O-CB 3.15Å; A48-K52 WeakPolarHBondContact O-CD 3.39Å; A48-K52 WeakPolarHBondContact O-CG 3.47Å; A48-K52 PolarHBondContact O-N 3.13Å; A50-K52 PolarHBondContact O-N 2.94Å; K52-F54 CarbonylContact C-O 3.53Å
53	R	50.9	Low	59.3	Low	190 Å²	190	110.6 Å²	110.6	72%	0.717	55%	0.55	S	S	*	.	H	α-helix	trans	-74	-39.5	170.5	-93	176.3	158.7	167.6	-3.7	110.8	L49 A50 R55	L49-R53 WeakPolarHBondContact O-CB 3.27Å; L49-R53 VanDerWaalsContact O-CG 3.26Å; L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 3.23Å; A50-R53 PolarHBondContact O-N 2.68Å; R53-R55 PolarHBondContact O-N 2.69Å
54	F	38.8	Very low	57.5	Low	127 Å²	127	110.7 Å²	110.7	56%	0.557	55%	0.553	S	S	*	*	S	Bend	trans	-69.7	118.9	156.1	-73.3	-75.5	0	0	0	108.2	A50 S51 K52 T57	A50-F54 WeakPolarHBondContact O-CD2 3.46Å; A50-F54 PolarHBondContact O-N 3.11Å; S51-F54 CarbonylContact C-O 3.58Å; K52-F54 CarbonylContact C-O 3.53Å; F54-T57 WeakPolarHBondContact CD1-OG1 3.39Å
55	R	43.4	Very low	55.7	Low	144 Å²	144	111.8 Å²	111.8	54%	0.543	55%	0.553	S	S	.	*			trans	-58.6	152.9	139.7	-69.1	178	171.3	-121	-8.7	106.4	R53 T57 K1041 N1042	R53-R55 PolarHBondContact O-N 2.69Å; R55-T57 VanDerWaalsContact C-N 3.28Å; R55-T57 PolarHBondContact O-N 3.5Å; R55-T57 PolarHBondContact O-OG1 3.33Å; R55-K1041 PolarHBondContact NH2-O 3.01Å; R55-N1042 PolarHBondContact NH2-OD1 3.41Å
56	P	41.7	Very low	54.1	Low	132 Å²	132	112.5 Å²	112.5	86%	0.857	56%	0.555	S	S	*	*			trans	-55.6	100	166.9	24.4	-33.4	0	0	0	107.9	R58	P56-R58 PolarHBondContact O-N 3.35Å
57	T	38	Very low	52.8	Low	39 Å²	39	110.5 Å²	110.5	24%	0.239	55%	0.549	C	S	.	.			trans	-70.4	127.5	-168.3	-19.1	0	0	0	0	105.6	F54 R55 L59 N60 Q61	F54-T57 WeakPolarHBondContact CD1-OG1 3.39Å; R55-T57 VanDerWaalsContact C-N 3.28Å; R55-T57 PolarHBondContact O-N 3.5Å; R55-T57 PolarHBondContact O-OG1 3.33Å; T57-L59 HydrophobicContact CG2-CB 3.71Å; T57-L59 HydrophobicContact CG2-CD1 4.21Å; T57-L59 HydrophobicContact CG2-CG 4.14Å; T57-L59 PolarHBondContact O-N 2.84Å; T57-N60 PolarHBondContact O-N 2.86Å; T57-N60 PolarHBondContact OG1-OD1 3.4Å; T57-Q61 PolarHBondContact O-N 2.81Å
58	R	44.3	Very low	51.6	Low	231 Å²	231	113 Å²	113	87%	0.872	55%	0.551	S	S	*	*	H	α-helix	trans	-55.5	-22.9	163.4	-85	-171.8	171.8	-175	-3.4	110.6	P56 Q62	P56-R58 PolarHBondContact O-N 3.35Å; R58-Q62 WeakPolarHBondContact O-CB 3.28Å; R58-Q62 PolarHBondContact O-N 3.39Å
59	L	43.2	Very low	50.4	Low	107 Å²	107	116.4 Å²	116.4	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-66.8	-32	167.4	-63.7	173.6	0	0	0	115.2	T57 Q62 E63	T57-L59 HydrophobicContact CG2-CB 3.71Å; T57-L59 HydrophobicContact CG2-CD1 4.21Å; T57-L59 HydrophobicContact CG2-CG 4.14Å; T57-L59 PolarHBondContact O-N 2.84Å; L59-Q62 CarbonylContact O-C 3.59Å; L59-Q62 PolarHBondContact O-N 3.17Å; L59-E63 WeakPolarHBondContact O-CA 3.38Å; L59-E63 WeakPolarHBondContact O-CB 3.37Å; L59-E63 WeakPolarHBondContact O-CG 3.18Å; L59-E63 PolarHBondContact O-N 2.8Å
60	N	38.1	Very low	49.5	Very low	67 Å²	67	119.3 Å²	119.3	36%	0.358	56%	0.563	S	S	.	*	H	α-helix	trans	-73.6	-47.6	175.4	-86.7	86.5	0	0	0	110.5	T57 Q62 E63 D64	T57-N60 PolarHBondContact O-N 2.86Å; T57-N60 PolarHBondContact OG1-OD1 3.4Å; N60-Q62 PolarHBondContact O-N 2.84Å; N60-E63 PolarHBondContact O-N 2.93Å; N60-D64 VanDerWaalsContact O-CB 3.28Å; N60-D64 WeakPolarHBondContact O-CB 2.89Å; N60-D64 PolarHBondContact O-N 3.3Å; N60-D64 VanDerWaalsContact O-OD2 3.08Å
61	Q	40.3	Very low	49	Very low	134 Å²	134	119.4 Å²	119.4	63%	0.626	56%	0.561	S	S	*	*	H	α-helix	trans	-64.5	-21.3	171.3	-75.3	-169.3	2.6	0	0	113.2	T57 K65	T57-Q61 PolarHBondContact O-N 2.81Å; Q61-K65 WeakPolarHBondContact O-CB 3.41Å; Q61-K65 VanDerWaalsContact O-CD 3.28Å; Q61-K65 WeakPolarHBondContact O-CD 3.1Å; Q61-K65 WeakPolarHBondContact O-CG 3.33Å; Q61-K65 PolarHBondContact O-N 2.9Å
62	Q	44.7	Very low	48.7	Very low	107 Å²	107	119.1 Å²	119.1	50%	0.5	55%	0.549	S	S	.	.	H	α-helix	trans	-79	-44.7	171	-170	70.4	32.8	0	0	111.1	R58 L59 N60 K65 E66	R58-Q62 WeakPolarHBondContact O-CB 3.28Å; R58-Q62 PolarHBondContact O-N 3.39Å; L59-Q62 CarbonylContact O-C 3.59Å; L59-Q62 PolarHBondContact O-N 3.17Å; N60-Q62 PolarHBondContact O-N 2.84Å; Q62-K65 CarbonylContact O-C 3.59Å; Q62-K65 PolarHBondContact O-N 2.76Å; Q62-E66 WeakPolarHBondContact O-CA 3.21Å; Q62-E66 WeakPolarHBondContact O-CB 3.16Å; Q62-E66 PolarHBondContact O-N 3.22Å
63	E	46.4	Very low	48.8	Very low	98 Å²	98	112.2 Å²	112.2	46%	0.458	52%	0.522	S	S	.	.	H	α-helix	trans	-71.4	-35.2	-179.5	-75.6	169.8	170.5	0	0	111.5	L59 N60 E66 N67	L59-E63 WeakPolarHBondContact O-CA 3.38Å; L59-E63 WeakPolarHBondContact O-CB 3.37Å; L59-E63 WeakPolarHBondContact O-CG 3.18Å; L59-E63 PolarHBondContact O-N 2.8Å; N60-E63 PolarHBondContact O-N 2.93Å; E63-E66 PolarHBondContact O-N 2.72Å; E63-N67 WeakPolarHBondContact O-CB 3.37Å; E63-N67 PolarHBondContact O-N 2.77Å; E63-N67 PolarHBondContact O-ND2 2.81Å
64	D	51.2	Low	49.6	Very low	99 Å²	99	105.6 Å²	105.6	53%	0.529	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-42.3	170.7	-64.6	-34	0	0	0	110.3	N60 Q68	N60-D64 VanDerWaalsContact O-CB 3.28Å; N60-D64 WeakPolarHBondContact O-CB 2.89Å; N60-D64 PolarHBondContact O-N 3.3Å; N60-D64 VanDerWaalsContact O-OD2 3.08Å; D64-Q68 WeakPolarHBondContact O-CB 3.03Å; D64-Q68 PolarHBondContact O-N 2.69Å
65	K	50.3	Low	51.4	Low	135 Å²	135	104.1 Å²	104.1	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-71.4	-29.1	173.4	-74.4	176.4	-176	-179.3	0	113.5	Q61 Q62 H69	Q61-K65 WeakPolarHBondContact O-CB 3.41Å; Q61-K65 VanDerWaalsContact O-CD 3.28Å; Q61-K65 WeakPolarHBondContact O-CD 3.1Å; Q61-K65 WeakPolarHBondContact O-CG 3.33Å; Q61-K65 PolarHBondContact O-N 2.9Å; Q62-K65 CarbonylContact O-C 3.59Å; Q62-K65 PolarHBondContact O-N 2.76Å; K65-H69 WeakPolarHBondContact O-CB 3.42Å; K65-H69 PolarHBondContact O-N 2.93Å
66	E	50.5	Low	52.9	Low	111 Å²	111	102.2 Å²	102.2	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-80.9	-34.6	178.6	-172.6	171.7	150.2	0	0	109.7	Q62 E63 R70	Q62-E66 WeakPolarHBondContact O-CA 3.21Å; Q62-E66 WeakPolarHBondContact O-CB 3.16Å; Q62-E66 PolarHBondContact O-N 3.22Å; E63-E66 PolarHBondContact O-N 2.72Å; E66-R70 WeakPolarHBondContact O-CA 3.19Å; E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 PolarHBondContact O-N 3.18Å
67	N	52.7	Low	54.8	Low	89 Å²	89	97.4 Å²	97.4	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-70	-37.5	167.3	-72.3	-39	0	0	0	111.5	E63 R70 S71	E63-N67 WeakPolarHBondContact O-CB 3.37Å; E63-N67 PolarHBondContact O-N 2.77Å; E63-N67 PolarHBondContact O-ND2 2.81Å; N67-R70 PolarHBondContact O-N 2.82Å; N67-S71 VanDerWaalsContact O-CB 3.31Å; N67-S71 WeakPolarHBondContact O-CB 3.43Å; N67-S71 PolarHBondContact O-N 3.23Å; N67-S71 PolarHBondContact O-OG 3.46Å
68	Q	57	Low	57	Low	108 Å²	108	100.6 Å²	100.6	51%	0.505	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-57	170.8	-173.5	69.3	32.2	0	0	110	D64 R70 S71 E72	D64-Q68 WeakPolarHBondContact O-CB 3.03Å; D64-Q68 PolarHBondContact O-N 2.69Å; Q68-R70 PolarHBondContact O-N 2.75Å; Q68-S71 PolarHBondContact O-N 3.49Å; Q68-S71 PolarHBondContact O-OG 3.44Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.45Å; Q68-E72 PolarHBondContact NE2-OE1 3.18Å; Q68-E72 WeakPolarHBondContact O-CB 3.28Å; Q68-E72 WeakPolarHBondContact O-CG 3.16Å; Q68-E72 PolarHBondContact O-N 3.14Å
69	H	56.1	Low	58.9	Low	113 Å²	113	94.1 Å²	94.1	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-27.9	179	-163	-41.1	0	0	0	112.7	K65 S73	K65-H69 WeakPolarHBondContact O-CB 3.42Å; K65-H69 PolarHBondContact O-N 2.93Å; H69-S73 VanDerWaalsContact O-CB 3.27Å; H69-S73 WeakPolarHBondContact O-CB 3.17Å; H69-S73 PolarHBondContact O-N 3.33Å; H69-S73 PolarHBondContact O-OG 3.36Å
70	R	55	Low	61	Low	168 Å²	168	90 Å²	90	63%	0.634	45%	0.45	S	S	*	.	H	α-helix	trans	-77.1	-38.1	175	-175.6	177.3	-171.8	-176.7	3.1	112.4	E66 N67 Q68 S73 S74	E66-R70 WeakPolarHBondContact O-CA 3.19Å; E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 PolarHBondContact O-N 3.18Å; N67-R70 PolarHBondContact O-N 2.82Å; Q68-R70 PolarHBondContact O-N 2.75Å; R70-S73 WeakPolarHBondContact CA-OG 3.5Å; R70-S73 PolarHBondContact O-N 2.66Å; R70-S73 PolarHBondContact O-OG 3.19Å; R70-S74 PolarHBondContact O-N 2.88Å; R70-S74 PolarHBondContact O-OG 2.81Å
71	S	59.5	Low	63.3	Low	48 Å²	48	88.1 Å²	88.1	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-72.6	-35.8	172.9	54.5	0	0	0	0	111.9	N67 Q68 S74 N75	N67-S71 VanDerWaalsContact O-CB 3.31Å; N67-S71 WeakPolarHBondContact O-CB 3.43Å; N67-S71 PolarHBondContact O-N 3.23Å; N67-S71 PolarHBondContact O-OG 3.46Å; Q68-S71 PolarHBondContact O-N 3.49Å; Q68-S71 PolarHBondContact O-OG 3.44Å; S71-S74 WeakPolarHBondContact CA-OG 3.1Å; S71-S74 PolarHBondContact O-N 3.45Å; S71-S74 PolarHBondContact O-OG 3.49Å; S71-N75 WeakPolarHBondContact O-CB 3.39Å; S71-N75 PolarHBondContact O-N 3.12Å; S71-N75 PolarHBondContact O-ND2 3.31Å; S71-N75 PolarHBondContact O-OD1 3.01Å
72	E	60	Low	65.5	Low	86 Å²	86	88.5 Å²	88.5	40%	0.402	44%	0.444	S	S	.	.	H	α-helix	trans	-61.7	-42.7	166.1	-73.3	167.6	-172.1	0	0	111.2	Q68 S74 N75 N76	Q68-E72 WeakPolarHBondContact CG-OE1 3.45Å; Q68-E72 PolarHBondContact NE2-OE1 3.18Å; Q68-E72 WeakPolarHBondContact O-CB 3.28Å; Q68-E72 WeakPolarHBondContact O-CG 3.16Å; Q68-E72 PolarHBondContact O-N 3.14Å; E72-S74 PolarHBondContact O-N 3.36Å; E72-N75 PolarHBondContact O-N 2.69Å; E72-N76 WeakPolarHBondContact O-CB 3.39Å; E72-N76 VanDerWaalsContact O-CG 3.26Å; E72-N76 PolarHBondContact O-N 2.75Å; E72-N76 PolarHBondContact O-ND2 2.66Å; E72-N76 VanDerWaalsContact O-ND2 3.13Å
73	S	62.1	Low	67.5	Low	24 Å²	24	88.5 Å²	88.5	17%	0.168	44%	0.442	C	S	.	.	H	α-helix	trans	-63.7	-38.9	173.6	77.7	0	0	0	0	112.8	H69 R70 N76 L77	H69-S73 VanDerWaalsContact O-CB 3.27Å; H69-S73 WeakPolarHBondContact O-CB 3.17Å; H69-S73 PolarHBondContact O-N 3.33Å; H69-S73 PolarHBondContact O-OG 3.36Å; R70-S73 WeakPolarHBondContact CA-OG 3.5Å; R70-S73 PolarHBondContact O-N 2.66Å; R70-S73 PolarHBondContact O-OG 3.19Å; S73-N76 PolarHBondContact O-N 2.97Å; S73-L77 VanDerWaalsContact O-CB 3.29Å; S73-L77 WeakPolarHBondContact O-CB 3.34Å; S73-L77 WeakPolarHBondContact O-CD1 3.28Å; S73-L77 WeakPolarHBondContact O-CG 3.47Å; S73-L77 PolarHBondContact O-N 3.31Å
74	S	68.9	Low	69.5	Low	50 Å²	50	84.3 Å²	84.3	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-68.7	-42.1	176.1	58.5	0	0	0	0	111.5	R70 S71 E72 N76 L77 D78	R70-S74 PolarHBondContact O-N 2.88Å; R70-S74 PolarHBondContact O-OG 2.81Å; S71-S74 WeakPolarHBondContact CA-OG 3.1Å; S71-S74 PolarHBondContact O-N 3.45Å; S71-S74 PolarHBondContact O-OG 3.49Å; E72-S74 PolarHBondContact O-N 3.36Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.75Å; S74-L77 CarbonylContact O-C 3.58Å; S74-L77 PolarHBondContact O-N 3.35Å; S74-D78 WeakPolarHBondContact O-CB 3.17Å; S74-D78 PolarHBondContact O-N 3.47Å
75	N	75.2	Confident	71	Confident	96 Å²	96	85.9 Å²	85.9	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.4	-64.1	-14.7	0	0	0	111.1	S71 E72 D78 V79	S71-N75 WeakPolarHBondContact O-CB 3.39Å; S71-N75 PolarHBondContact O-N 3.12Å; S71-N75 PolarHBondContact O-ND2 3.31Å; S71-N75 PolarHBondContact O-OD1 3.01Å; E72-N75 PolarHBondContact O-N 2.69Å; N75-D78 PolarHBondContact O-N 2.91Å; N75-V79 WeakPolarHBondContact O-CB 3.48Å; N75-V79 VanDerWaalsContact O-CG2 3.32Å; N75-V79 WeakPolarHBondContact O-CG2 3.42Å; N75-V79 PolarHBondContact O-N 2.91Å
76	N	75.4	Confident	72.7	Confident	104 Å²	104	83.8 Å²	83.8	56%	0.556	43%	0.43	S	S	*	.	H	α-helix	trans	-64.8	-39.8	174	-74.7	-34.3	0	0	0	112.1	E72 S73 S74 L80	E72-N76 WeakPolarHBondContact O-CB 3.39Å; E72-N76 VanDerWaalsContact O-CG 3.26Å; E72-N76 PolarHBondContact O-N 2.75Å; E72-N76 PolarHBondContact O-ND2 2.66Å; E72-N76 VanDerWaalsContact O-ND2 3.13Å; S73-N76 PolarHBondContact O-N 2.97Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.75Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 PolarHBondContact O-N 3.38Å
77	L	82.4	Confident	74.4	Confident	32 Å²	32	79.2 Å²	79.2	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-69.3	-31.5	176.4	-73.8	167.7	0	0	0	112.9	S73 S74 L80 S81 E104 E105	S73-L77 VanDerWaalsContact O-CB 3.29Å; S73-L77 WeakPolarHBondContact O-CB 3.34Å; S73-L77 WeakPolarHBondContact O-CD1 3.28Å; S73-L77 WeakPolarHBondContact O-CG 3.47Å; S73-L77 PolarHBondContact O-N 3.31Å; S74-L77 CarbonylContact O-C 3.58Å; S74-L77 PolarHBondContact O-N 3.35Å; L77-L80 HydrophobicContact CD2-CD2 4.32Å; L77-S81 WeakPolarHBondContact O-CB 3.17Å; L77-S81 PolarHBondContact O-N 2.83Å; L77-E104 HydrophobicContact CD1-CB 3.85Å; L77-E104 HydrophobicContact CD1-CG 4.39Å; L77-E104 HydrophobicContact CD2-CB 3.93Å; L77-E105 HydrophobicContact CD2-CG 4.11Å
78	D	83.4	Confident	75.9	Confident	106 Å²	106	82.3 Å²	82.3	57%	0.567	42%	0.42	S	S	*	.	H	α-helix	trans	-75.1	-42.1	174.9	-74.9	-29.7	0	0	0	111.4	S74 N75 L80 S81 Q82	S74-D78 WeakPolarHBondContact O-CB 3.17Å; S74-D78 PolarHBondContact O-N 3.47Å; N75-D78 PolarHBondContact O-N 2.91Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 3.4Å; D78-S81 WeakPolarHBondContact O-CB 3.22Å; D78-S81 PolarHBondContact O-N 2.7Å; D78-Q82 PolarHBondContact O-N 3.23Å
79	V	85.2	Confident	77.3	Confident	94 Å²	94	80.9 Å²	80.9	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-61.5	-42.2	170.3	170.2	0	0	0	0	111	N75 Q82 K83	N75-V79 WeakPolarHBondContact O-CB 3.48Å; N75-V79 VanDerWaalsContact O-CG2 3.32Å; N75-V79 WeakPolarHBondContact O-CG2 3.42Å; N75-V79 PolarHBondContact O-N 2.91Å; V79-Q82 PolarHBondContact O-N 3.04Å; V79-K83 WeakPolarHBondContact O-CB 3.5Å; V79-K83 PolarHBondContact O-N 3.23Å
80	L	86	Confident	78.9	Confident	20 Å²	20	76.4 Å²	76.4	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-42.7	172.9	-174.5	108.5	0	0	0	110.9	N76 L77 D78 Q82 K83 L84 M96 E105 M108 I109	N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 PolarHBondContact O-N 3.38Å; L77-L80 HydrophobicContact CD2-CD2 4.32Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 3.4Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-Q82 PolarHBondContact O-N 3.06Å; L80-K83 PolarHBondContact O-N 3.25Å; L80-L84 HydrophobicContact CD2-CD1 3.66Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.27Å; L80-L84 VanDerWaalsContact O-CB 3.29Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 WeakPolarHBondContact O-CG 3.12Å; L80-L84 PolarHBondContact O-N 3.47Å; L80-M96 HydrophobicContact CD1-CE 3.84Å; L80-E105 HydrophobicContact CD1-CG 4.43Å; L80-E105 HydrophobicContact CD2-CB 4.18Å; L80-E105 HydrophobicContact CD2-CG 4.36Å; L80-M108 HydrophobicContact CD2-CB 3.87Å; L80-I109 HydrophobicContact CD2-CG1 4.37Å
81	S	86.6	Confident	80.4	Confident	29 Å²	29	73.7 Å²	73.7	20%	0.203	40%	0.395	C	S	.	.	H	α-helix	trans	-59.7	-42.6	176.2	-174.8	0	0	0	0	111.7	L77 D78 L84 Q85	L77-S81 WeakPolarHBondContact O-CB 3.17Å; L77-S81 PolarHBondContact O-N 2.83Å; D78-S81 WeakPolarHBondContact O-CB 3.22Å; D78-S81 PolarHBondContact O-N 2.7Å; S81-L84 PolarHBondContact O-N 3.22Å; S81-Q85 WeakPolarHBondContact O-CG 3.38Å; S81-Q85 PolarHBondContact O-N 2.85Å; S81-Q85 PolarHBondContact O-NE2 3.13Å; S81-Q85 PolarHBondContact OG-NE2 2.94Å
82	Q	87.1	Confident	81.8	Confident	142 Å²	142	75.4 Å²	75.4	66%	0.664	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-43.6	176.2	-165.4	175.4	28.3	0	0	111.4	D78 V79 L80 L84 Q85 S86	D78-Q82 PolarHBondContact O-N 3.23Å; V79-Q82 PolarHBondContact O-N 3.04Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-Q82 PolarHBondContact O-N 3.06Å; Q82-L84 VanDerWaalsContact C-N 3.33Å; Q82-L84 PolarHBondContact O-N 3.08Å; Q82-Q85 WeakPolarHBondContact O-CB 3.48Å; Q82-Q85 PolarHBondContact O-N 3.48Å; Q82-Q85 VanDerWaalsContact O-N 3.13Å; Q82-S86 PolarHBondContact O-N 2.94Å
83	K	86.3	Confident	83.2	Confident	106 Å²	106	71.3 Å²	71.3	46%	0.461	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-36.5	174.8	-177.6	167.5	-179.5	170.7	0	112.8	V79 L80 Q85 S86 I87 M96	V79-K83 WeakPolarHBondContact O-CB 3.5Å; V79-K83 PolarHBondContact O-N 3.23Å; L80-K83 PolarHBondContact O-N 3.25Å; K83-Q85 PolarHBondContact O-N 3.05Å; K83-S86 PolarHBondContact O-N 2.73Å; K83-S86 PolarHBondContact O-OG 3.19Å; K83-I87 HydrophobicContact CG-CD1 3.89Å; K83-I87 WeakPolarHBondContact O-CG1 3.33Å; K83-I87 PolarHBondContact O-N 3.04Å; K83-M96 HydrophobicContact CD-CE 4.27Å; K83-M96 HydrophobicContact CD-SD 4.49Å
84	L	88.4	Confident	84.5	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-72.5	-11.5	175.8	-70.5	173	0	0	0	113.7	L80 S81 Q82 L93 M96 M108 I109 A112	L80-L84 HydrophobicContact CD2-CD1 3.66Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.27Å; L80-L84 VanDerWaalsContact O-CB 3.29Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 WeakPolarHBondContact O-CG 3.12Å; L80-L84 PolarHBondContact O-N 3.47Å; S81-L84 PolarHBondContact O-N 3.22Å; Q82-L84 VanDerWaalsContact C-N 3.33Å; Q82-L84 PolarHBondContact O-N 3.08Å; L84-L93 HydrophobicContact CD2-CD2 3.25Å; L84-M96 HydrophobicContact CD2-CE 4.17Å; L84-M96 HydrophobicContact CD2-SD 4.49Å; L84-M108 HydrophobicContact CD1-CB 3.78Å; L84-I109 HydrophobicContact CD1-CB 4.49Å; L84-I109 HydrophobicContact CD1-CG1 3.91Å; L84-I109 HydrophobicContact CD2-CB 4.4Å; L84-I109 HydrophobicContact CD2-CG1 3.98Å; L84-I109 HydrophobicContact CD2-CG2 4.4Å; L84-A112 HydrophobicContact CB-CB 4.1Å; L84-A112 HydrophobicContact CD2-CB 4.04Å; L84-A112 HydrophobicContact CG-CB 4.45Å
85	Q	82.7	Confident	85.6	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-87	-18.6	169.9	-70.7	163.7	57.3	0	0	112.4	S81 Q82 K83	S81-Q85 WeakPolarHBondContact O-CG 3.38Å; S81-Q85 PolarHBondContact O-N 2.85Å; S81-Q85 PolarHBondContact O-NE2 3.13Å; S81-Q85 PolarHBondContact OG-NE2 2.94Å; Q82-Q85 WeakPolarHBondContact O-CB 3.48Å; Q82-Q85 PolarHBondContact O-N 3.48Å; Q82-Q85 VanDerWaalsContact O-N 3.13Å; K83-Q85 PolarHBondContact O-N 3.05Å
86	S	85.4	Confident	86.2	Confident	90 Å²	90	73.4 Å²	73.4	63%	0.629	38%	0.377	S	S	*	.	H	α-helix	trans	-94.1	-15.5	178.3	58.6	0	0	0	0	114.9	Q82 K83	Q82-S86 PolarHBondContact O-N 2.94Å; K83-S86 PolarHBondContact O-N 2.73Å; K83-S86 PolarHBondContact O-OG 3.19Å
87	I	86.2	Confident	86.8	Confident	15 Å²	15	70 Å²	70	8%	0.077	36%	0.359	C	S	.	.			trans	-98	113.5	-176.5	-60.6	167.2	0	0	0	110.2	K83 D89 E92 L93 M96	K83-I87 HydrophobicContact CG-CD1 3.89Å; K83-I87 WeakPolarHBondContact O-CG1 3.33Å; K83-I87 PolarHBondContact O-N 3.04Å; I87-D89 HydrophobicContact CG2-CB 4.46Å; I87-E92 HydrophobicContact CD1-CG 4.29Å; I87-E92 HydrophobicContact CG2-CB 4.04Å; I87-E92 HydrophobicContact CG2-CG 4.19Å; I87-L93 HydrophobicContact CB-CD2 4.14Å; I87-L93 HydrophobicContact CB-CG 4.42Å; I87-L93 HydrophobicContact CG2-CD2 4Å; I87-L93 HydrophobicContact CG2-CG 3.8Å; I87-M96 HydrophobicContact CD1-SD 3.52Å; I87-M96 VanDerWaalsContact CD1-SD 3.52Å
88	Q	83.9	Confident	87	Confident	154 Å²	154	76.8 Å²	76.8	72%	0.72	38%	0.383	S	S	*	.			trans	-98	0.1	174.2	-65.8	179.3	-9.7	0	0	113.4	V116	Q88-V116 WeakPolarHBondContact O-CG1 3.37Å
89	D	88.4	Confident	87.2	Confident	79 Å²	79	75.7 Å²	75.7	42%	0.422	39%	0.388	S	S	.	.			trans	-91.1	122.7	176.3	176.9	27.6	0	0	0	112.3	I87 D91 E92 L93	I87-D89 HydrophobicContact CG2-CB 4.46Å; D89-D91 VanDerWaalsContact C-N 3.29Å; D89-D91 PolarHBondContact O-N 3.17Å; D89-D91 PolarHBondContact OD1-N 3.05Å; D89-E92 HydrophobicContact CB-CB 4.16Å; D89-E92 WeakPolarHBondContact OD2-CB 3.26Å; D89-E92 PolarHBondContact OD2-N 2.93Å; D89-L93 WeakPolarHBondContact O-CB 3.32Å; D89-L93 WeakPolarHBondContact O-CG 3.12Å; D89-L93 PolarHBondContact O-N 3.24Å; D89-L93 VanDerWaalsContact O-N 3.08Å
90	V	87.7	Confident	87.4	Confident	18 Å²	18	71.7 Å²	71.7	11%	0.109	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-31.5	176.4	177.1	0	0	0	0	111.9	T94 V116 R117	V90-T94 VanDerWaalsContact O-CB 3.25Å; V90-T94 WeakPolarHBondContact O-CB 3.48Å; V90-T94 PolarHBondContact O-N 3.45Å; V90-T94 PolarHBondContact O-OG1 3.19Å; V90-V116 HydrophobicContact CG2-CB 4.35Å; V90-V116 HydrophobicContact CG2-CG1 3.56Å; V90-R117 HydrophobicContact CG2-CG 4.12Å
91	D	88	Confident	87.1	Confident	111 Å²	111	75 Å²	75	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-81	-38.5	-178.2	-85	-28.2	0	0	0	112.7	D89 T94 K95	D89-D91 VanDerWaalsContact C-N 3.29Å; D89-D91 PolarHBondContact O-N 3.17Å; D89-D91 PolarHBondContact OD1-N 3.05Å; D91-T94 CarbonylContact O-C 3.5Å; D91-T94 PolarHBondContact O-N 3.43Å; D91-K95 WeakPolarHBondContact O-CB 3Å; D91-K95 PolarHBondContact O-N 3.39Å
92	E	89.3	Confident	87.1	Confident	84 Å²	84	77.2 Å²	77.2	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-60.7	-45	166.9	-175.8	169.2	-154.3	0	0	111.4	I87 D89 T94 K95 M96	I87-E92 HydrophobicContact CD1-CG 4.29Å; I87-E92 HydrophobicContact CG2-CB 4.04Å; I87-E92 HydrophobicContact CG2-CG 4.19Å; D89-E92 HydrophobicContact CB-CB 4.16Å; D89-E92 WeakPolarHBondContact OD2-CB 3.26Å; D89-E92 PolarHBondContact OD2-N 2.93Å; E92-T94 VanDerWaalsContact C-N 3.27Å; E92-T94 PolarHBondContact O-N 3.44Å; E92-K95 WeakPolarHBondContact O-CA 3.47Å; E92-K95 WeakPolarHBondContact O-CB 3.42Å; E92-K95 PolarHBondContact O-N 2.93Å; E92-K95 VanDerWaalsContact O-N 3.08Å; E92-M96 PolarHBondContact O-N 3.4Å
93	L	89	Confident	87	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-59.4	-38.7	172.9	-69.2	171.8	0	0	0	111.9	L84 I87 D89 K95 M96 L97 I109 A112 I113 V116	L84-L93 HydrophobicContact CD2-CD2 3.25Å; I87-L93 HydrophobicContact CB-CD2 4.14Å; I87-L93 HydrophobicContact CB-CG 4.42Å; I87-L93 HydrophobicContact CG2-CD2 4Å; I87-L93 HydrophobicContact CG2-CG 3.8Å; D89-L93 WeakPolarHBondContact O-CB 3.32Å; D89-L93 WeakPolarHBondContact O-CG 3.12Å; D89-L93 PolarHBondContact O-N 3.24Å; D89-L93 VanDerWaalsContact O-N 3.08Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 2.97Å; L93-M96 PolarHBondContact O-N 3.31Å; L93-L97 WeakPolarHBondContact O-CB 3.4Å; L93-L97 PolarHBondContact O-N 2.95Å; L93-I109 VanDerWaalsContact O-CG2 3.22Å; L93-I109 WeakPolarHBondContact O-CG2 3.41Å; L93-A112 HydrophobicContact CD1-CB 4.3Å; L93-A112 HydrophobicContact CD2-CB 4.11Å; L93-I113 HydrophobicContact CB-CD1 4.01Å; L93-I113 HydrophobicContact CB-CG1 3.48Å; L93-I113 VanDerWaalsContact CB-CG1 3.48Å; L93-I113 HydrophobicContact CD1-CG1 4Å; L93-I113 HydrophobicContact CG-CG1 4.33Å; L93-V116 HydrophobicContact CD1-CB 4.44Å; L93-V116 HydrophobicContact CD1-CG2 3.91Å
94	T	88.2	Confident	87.1	Confident	37 Å²	37	76.9 Å²	76.9	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-73.7	-22.9	176.8	-59.5	0	0	0	0	112.5	V90 D91 E92 R98	V90-T94 VanDerWaalsContact O-CB 3.25Å; V90-T94 WeakPolarHBondContact O-CB 3.48Å; V90-T94 PolarHBondContact O-N 3.45Å; V90-T94 PolarHBondContact O-OG1 3.19Å; D91-T94 CarbonylContact O-C 3.5Å; D91-T94 PolarHBondContact O-N 3.43Å; E92-T94 VanDerWaalsContact C-N 3.27Å; E92-T94 PolarHBondContact O-N 3.44Å; T94-R98 PolarHBondContact O-N 3.04Å; T94-R98 PolarHBondContact O-NE 3.01Å
95	K	91.9	Very high	87.1	Confident	147 Å²	147	78.3 Å²	78.3	64%	0.639	40%	0.403	S	S	*	.	H	α-helix	trans	-72.9	-46.3	168.3	-172.1	-178.4	178.3	-175.1	0	110.3	D91 E92 L93 L97 R98 A99	D91-K95 WeakPolarHBondContact O-CB 3Å; D91-K95 PolarHBondContact O-N 3.39Å; E92-K95 WeakPolarHBondContact O-CA 3.47Å; E92-K95 WeakPolarHBondContact O-CB 3.42Å; E92-K95 PolarHBondContact O-N 2.93Å; E92-K95 VanDerWaalsContact O-N 3.08Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 2.97Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.03Å; K95-R98 PolarHBondContact O-N 2.83Å; K95-A99 PolarHBondContact O-N 3.44Å; K95-A99 VanDerWaalsContact O-N 3.08Å
96	M	88.3	Confident	87.5	Confident	30 Å²	30	76.2 Å²	76.2	15%	0.148	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-41.8	172.2	-73.4	-175.3	61.9	0	0	112	L80 K83 L84 I87 E92 L93 R98 A99 A100 I109	L80-M96 HydrophobicContact CD1-CE 3.84Å; K83-M96 HydrophobicContact CD-CE 4.27Å; K83-M96 HydrophobicContact CD-SD 4.49Å; L84-M96 HydrophobicContact CD2-CE 4.17Å; L84-M96 HydrophobicContact CD2-SD 4.49Å; I87-M96 HydrophobicContact CD1-SD 3.52Å; I87-M96 VanDerWaalsContact CD1-SD 3.52Å; E92-M96 PolarHBondContact O-N 3.4Å; L93-M96 PolarHBondContact O-N 3.31Å; M96-R98 PolarHBondContact O-N 3.04Å; M96-A99 PolarHBondContact O-N 3.36Å; M96-A99 VanDerWaalsContact O-N 3.1Å; M96-A100 WeakPolarHBondContact O-CB 3.43Å; M96-A100 PolarHBondContact O-N 2.77Å; M96-I109 HydrophobicContact CB-CD1 4.19Å; M96-I109 HydrophobicContact CB-CG2 4.44Å
97	L	88.9	Confident	87.8	Confident	34 Å²	34	77.1 Å²	77.1	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-26.8	178.4	-174	59.6	0	0	0	113.5	L93 K95 R106 I109 R110 I113	L93-L97 WeakPolarHBondContact O-CB 3.4Å; L93-L97 PolarHBondContact O-N 2.95Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.03Å; L97-R106 HydrophobicContact CD1-CB 3.96Å; L97-R106 HydrophobicContact CD1-CG 4.13Å; L97-R106 WeakPolarHBondContact CD1-O 3.12Å; L97-I109 HydrophobicContact CB-CG2 3.77Å; L97-I109 HydrophobicContact CD1-CB 4.21Å; L97-I109 HydrophobicContact CD1-CG2 4.25Å; L97-R110 HydrophobicContact CD1-CG 3.92Å; L97-R110 HydrophobicContact CD2-CG 4.01Å; L97-I113 HydrophobicContact CB-CD1 4.45Å; L97-I113 HydrophobicContact CD2-CD1 3.96Å
98	R	86.8	Confident	87.9	Confident	174 Å²	174	79.7 Å²	79.7	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-83.2	-35.5	174.8	-75.2	176.3	-78.7	-176	-2.7	112.3	T94 K95 M96	T94-R98 PolarHBondContact O-N 3.04Å; T94-R98 PolarHBondContact O-NE 3.01Å; K95-R98 PolarHBondContact O-N 2.83Å; M96-R98 PolarHBondContact O-N 3.04Å
99	A	86.7	Confident	88.2	Confident	83 Å²	83	72.4 Å²	72.4	69%	0.686	36%	0.36	S	S	*	.	H	α-helix	trans	-78.8	-38.1	-178.9	0	0	0	0	0	113.9	K95 M96 A101	K95-A99 PolarHBondContact O-N 3.44Å; K95-A99 VanDerWaalsContact O-N 3.08Å; M96-A99 PolarHBondContact O-N 3.36Å; M96-A99 VanDerWaalsContact O-N 3.1Å; A99-A101 PolarHBondContact O-N 3.31Å
100	A	89.3	Confident	88.4	Confident	9 Å²	9	74.9 Å²	74.9	7%	0.074	36%	0.364	C	S	.	.			trans	-52.4	137.1	178.5	0	0	0	0	0	111.4	M96 E105 R106 I109	M96-A100 WeakPolarHBondContact O-CB 3.43Å; M96-A100 PolarHBondContact O-N 2.77Å; A100-E105 WeakPolarHBondContact CA-OE2 3.32Å; A100-E105 HydrophobicContact CB-CB 3.81Å; A100-E105 WeakPolarHBondContact CB-OE2 3.08Å; A100-R106 HydrophobicContact CB-CG 3.84Å; A100-R106 PolarHBondContact O-NE 2.8Å; A100-R106 PolarHBondContact O-NH2 3.45Å; A100-I109 HydrophobicContact CB-CD1 3.61Å
101	A	80.1	Confident	88.5	Confident	90 Å²	90	77.9 Å²	77.9	74%	0.744	38%	0.377	S	S	*	.			trans	-96.2	-36.5	-178.2	0	0	0	0	0	111.6	A99 E105	A99-A101 PolarHBondContact O-N 3.31Å; A101-E105 PolarHBondContact N-OE2 2.94Å
102	E	87	Confident	88.6	Confident	76 Å²	76	72.8 Å²	72.8	36%	0.355	35%	0.35	S	S	.	.	S	Bend	trans	-88.8	156.5	-170.6	-56.7	-166.4	166.3	0	0	112.9	E105 R106	E102-E105 HydrophobicContact CB-CB 4.48Å; E102-E105 HydrophobicContact CB-CG 4.05Å; E102-E105 PolarHBondContact N-OE2 3.45Å; E102-R106 WeakPolarHBondContact O-CB 3.07Å; E102-R106 WeakPolarHBondContact O-CD 3.2Å; E102-R106 WeakPolarHBondContact O-CG 3.38Å; E102-R106 PolarHBondContact O-N 3.22Å
103	Y	84.9	Confident	88.6	Confident	169 Å²	169	69.6 Å²	69.6	66%	0.663	34%	0.335	S	S	*	.	H	α-helix	trans	-69.7	-40	-179.7	-178.8	-107.3	0	0	0	112.1	R106 K107	Y103-R106 CarbonylContact O-C 3.58Å; Y103-R106 PolarHBondContact O-N 3.24Å; Y103-K107 VanDerWaalsContact O-CB 3.29Å; Y103-K107 WeakPolarHBondContact O-CB 3.38Å; Y103-K107 PolarHBondContact O-N 3.5Å
104	E	87.1	Confident	88.7	Confident	71 Å²	71	75.1 Å²	75.1	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-37.8	179.1	-100	46.5	-128.2	0	0	112.7	L77 K107 M108	L77-E104 HydrophobicContact CD1-CB 3.85Å; L77-E104 HydrophobicContact CD1-CG 4.39Å; L77-E104 HydrophobicContact CD2-CB 3.93Å; E104-K107 HydrophobicContact CG-CD 4.44Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 2.89Å; E104-K107 WeakPolarHBondContact OE1-CD 3.41Å; E104-K107 IonicContact OE1-NZ 3.83Å; E104-K107 PolarHBondContact OE1-NZ 2.7Å; E104-M108 WeakPolarHBondContact O-CG 3.26Å; E104-M108 PolarHBondContact O-N 2.7Å
105	E	89.9	Confident	88.8	Confident	42 Å²	42	79.5 Å²	79.5	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-57.5	-54.2	168.3	-66.1	178.8	123.3	0	0	110.3	L77 L80 A100 A101 E102 K107 M108 I109	L77-E105 HydrophobicContact CD2-CG 4.11Å; L80-E105 HydrophobicContact CD1-CG 4.43Å; L80-E105 HydrophobicContact CD2-CB 4.18Å; L80-E105 HydrophobicContact CD2-CG 4.36Å; A100-E105 WeakPolarHBondContact CA-OE2 3.32Å; A100-E105 HydrophobicContact CB-CB 3.81Å; A100-E105 WeakPolarHBondContact CB-OE2 3.08Å; A101-E105 PolarHBondContact N-OE2 2.94Å; E102-E105 HydrophobicContact CB-CB 4.48Å; E102-E105 HydrophobicContact CB-CG 4.05Å; E102-E105 PolarHBondContact N-OE2 3.45Å; E105-K107 PolarHBondContact O-N 2.57Å; E105-M108 PolarHBondContact O-N 3.42Å; E105-M108 VanDerWaalsContact O-N 3.15Å; E105-I109 HydrophobicContact CB-CD1 4.41Å; E105-I109 WeakPolarHBondContact O-CD1 3.22Å; E105-I109 WeakPolarHBondContact O-CG1 3.3Å; E105-I109 PolarHBondContact O-N 2.66Å
106	R	89.9	Confident	88.7	Confident	88 Å²	88	73 Å²	73	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-14.1	179.9	-70.9	175.4	173.9	-138.3	-10.5	113.6	L97 A100 E102 Y103 R110	L97-R106 HydrophobicContact CD1-CB 3.96Å; L97-R106 HydrophobicContact CD1-CG 4.13Å; L97-R106 WeakPolarHBondContact CD1-O 3.12Å; A100-R106 HydrophobicContact CB-CG 3.84Å; A100-R106 PolarHBondContact O-NE 2.8Å; A100-R106 PolarHBondContact O-NH2 3.45Å; E102-R106 WeakPolarHBondContact O-CB 3.07Å; E102-R106 WeakPolarHBondContact O-CD 3.2Å; E102-R106 WeakPolarHBondContact O-CG 3.38Å; E102-R106 PolarHBondContact O-N 3.22Å; Y103-R106 CarbonylContact O-C 3.58Å; Y103-R106 PolarHBondContact O-N 3.24Å; R106-R110 WeakPolarHBondContact O-CD 3.31Å; R106-R110 VanDerWaalsContact O-CG 3.23Å; R106-R110 WeakPolarHBondContact O-CG 3.15Å; R106-R110 PolarHBondContact O-NE 3.18Å
107	K	92.3	Very high	88.6	Confident	109 Å²	109	77.7 Å²	77.7	47%	0.474	36%	0.357	S	S	.	.	H	α-helix	trans	-88.2	-48.4	174.8	173.7	-168.4	-179.6	-168.7	0	110.2	Y103 E104 E105 I109 R110 E111	Y103-K107 VanDerWaalsContact O-CB 3.29Å; Y103-K107 WeakPolarHBondContact O-CB 3.38Å; Y103-K107 PolarHBondContact O-N 3.5Å; E104-K107 HydrophobicContact CG-CD 4.44Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 2.89Å; E104-K107 WeakPolarHBondContact OE1-CD 3.41Å; E104-K107 IonicContact OE1-NZ 3.83Å; E104-K107 PolarHBondContact OE1-NZ 2.7Å; E105-K107 PolarHBondContact O-N 2.57Å; K107-I109 PolarHBondContact O-N 3.21Å; K107-R110 PolarHBondContact O-N 3.4Å; K107-E111 PolarHBondContact O-N 2.92Å; K107-E111 VanDerWaalsContact O-N 3.13Å
108	M	88.1	Confident	88.5	Confident	69 Å²	69	80.2 Å²	80.2	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-44.7	173.9	-69.9	-65	-77.1	0	0	112	L80 L84 E104 E105 R110 E111 A112	L80-M108 HydrophobicContact CD2-CB 3.87Å; L84-M108 HydrophobicContact CD1-CB 3.78Å; E104-M108 WeakPolarHBondContact O-CG 3.26Å; E104-M108 PolarHBondContact O-N 2.7Å; E105-M108 PolarHBondContact O-N 3.42Å; E105-M108 VanDerWaalsContact O-N 3.15Å; M108-R110 VanDerWaalsContact C-N 3.32Å; M108-R110 PolarHBondContact O-N 2.93Å; M108-E111 WeakPolarHBondContact O-CB 3.16Å; M108-E111 PolarHBondContact O-N 3.25Å; M108-E111 VanDerWaalsContact O-N 3.08Å; M108-A112 PolarHBondContact O-N 2.95Å
109	I	90.5	Very high	88.3	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-37.5	178.7	-58.4	158	0	0	0	111.4	L80 L84 L93 M96 L97 A100 E105 K107 E111 A112 I113	L80-I109 HydrophobicContact CD2-CG1 4.37Å; L84-I109 HydrophobicContact CD1-CB 4.49Å; L84-I109 HydrophobicContact CD1-CG1 3.91Å; L84-I109 HydrophobicContact CD2-CB 4.4Å; L84-I109 HydrophobicContact CD2-CG1 3.98Å; L84-I109 HydrophobicContact CD2-CG2 4.4Å; L93-I109 VanDerWaalsContact O-CG2 3.22Å; L93-I109 WeakPolarHBondContact O-CG2 3.41Å; M96-I109 HydrophobicContact CB-CD1 4.19Å; M96-I109 HydrophobicContact CB-CG2 4.44Å; L97-I109 HydrophobicContact CB-CG2 3.77Å; L97-I109 HydrophobicContact CD1-CB 4.21Å; L97-I109 HydrophobicContact CD1-CG2 4.25Å; A100-I109 HydrophobicContact CB-CD1 3.61Å; E105-I109 HydrophobicContact CB-CD1 4.41Å; E105-I109 WeakPolarHBondContact O-CD1 3.22Å; E105-I109 WeakPolarHBondContact O-CG1 3.3Å; E105-I109 PolarHBondContact O-N 2.66Å; K107-I109 PolarHBondContact O-N 3.21Å; I109-E111 VanDerWaalsContact C-N 3.29Å; I109-E111 PolarHBondContact O-N 3.26Å; I109-A112 PolarHBondContact O-N 3.48Å; I109-I113 HydrophobicContact CG2-CD1 4.02Å; I109-I113 VanDerWaalsContact O-CG1 3.27Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.9Å
110	R	91.8	Very high	88.1	Confident	130 Å²	130	77.7 Å²	77.7	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-69.8	-23.8	175	-77.9	177.8	-129.8	-120.6	1.5	113.8	L97 R106 K107 M108 R114	L97-R110 HydrophobicContact CD1-CG 3.92Å; L97-R110 HydrophobicContact CD2-CG 4.01Å; R106-R110 WeakPolarHBondContact O-CD 3.31Å; R106-R110 VanDerWaalsContact O-CG 3.23Å; R106-R110 WeakPolarHBondContact O-CG 3.15Å; R106-R110 PolarHBondContact O-NE 3.18Å; K107-R110 PolarHBondContact O-N 3.4Å; M108-R110 VanDerWaalsContact C-N 3.32Å; M108-R110 PolarHBondContact O-N 2.93Å; R110-R114 PolarHBondContact O-N 2.94Å
111	E	91.2	Very high	87.8	Confident	82 Å²	82	82.6 Å²	82.6	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-77	-43.5	174.3	-152.2	63.7	-155.9	0	0	110.3	K107 M108 I109 R114 R115	K107-E111 PolarHBondContact O-N 2.92Å; K107-E111 VanDerWaalsContact O-N 3.13Å; M108-E111 WeakPolarHBondContact O-CB 3.16Å; M108-E111 PolarHBondContact O-N 3.25Å; M108-E111 VanDerWaalsContact O-N 3.08Å; I109-E111 VanDerWaalsContact C-N 3.29Å; I109-E111 PolarHBondContact O-N 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.28Å; E111-R114 PolarHBondContact O-N 2.87Å; E111-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 IonicContact OE1-CZ 3.29Å; E111-R114 IonicContact OE1-NH1 3.11Å; E111-R114 PolarHBondContact OE1-NH1 3.15Å; E111-R114 IonicContact OE1-NH2 3.73Å; E111-R114 IonicContact OE2-CZ 2.78Å; E111-R114 VanDerWaalsContact OE2-CZ 3.29Å; E111-R114 IonicContact OE2-NH1 3.05Å; E111-R114 PolarHBondContact OE2-NH1 2.9Å; E111-R114 VanDerWaalsContact OE2-NH1 3.11Å; E111-R114 IonicContact OE2-NH2 2.68Å; E111-R114 PolarHBondContact OE2-NH2 2.88Å; E111-R115 PolarHBondContact O-N 3.43Å
112	A	90	Very high	87.6	Confident	4 Å²	4	82.7 Å²	82.7	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-45.6	173.7	0	0	0	0	0	112.5	L84 L93 M108 I109 R114 R115 V116	L84-A112 HydrophobicContact CB-CB 4.1Å; L84-A112 HydrophobicContact CD2-CB 4.04Å; L84-A112 HydrophobicContact CG-CB 4.45Å; L93-A112 HydrophobicContact CD1-CB 4.3Å; L93-A112 HydrophobicContact CD2-CB 4.11Å; M108-A112 PolarHBondContact O-N 2.95Å; I109-A112 PolarHBondContact O-N 3.48Å; A112-R114 PolarHBondContact O-N 3.07Å; A112-R115 PolarHBondContact O-N 2.6Å; A112-V116 PolarHBondContact O-N 3.04Å
113	I	89.3	Confident	86.8	Confident	17 Å²	17	84.3 Å²	84.3	9%	0.087	37%	0.369	C	S	.	.	H	α-helix	trans	-58	-29.9	174.2	-70.1	167.4	0	0	0	111.9	L93 L97 I109 R117	L93-I113 HydrophobicContact CB-CD1 4.01Å; L93-I113 HydrophobicContact CB-CG1 3.48Å; L93-I113 VanDerWaalsContact CB-CG1 3.48Å; L93-I113 HydrophobicContact CD1-CG1 4Å; L93-I113 HydrophobicContact CG-CG1 4.33Å; L97-I113 HydrophobicContact CB-CD1 4.45Å; L97-I113 HydrophobicContact CD2-CD1 3.96Å; I109-I113 HydrophobicContact CG2-CD1 4.02Å; I109-I113 VanDerWaalsContact O-CG1 3.27Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.9Å; I113-R117 WeakPolarHBondContact O-CD 3.19Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.95Å
114	R	90.5	Very high	86	Confident	116 Å²	116	79.4 Å²	79.4	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-73.8	-52	176.2	-152.8	-176.6	-52.2	118.7	29.3	110.7	R110 E111 A112 V116 R117 D118	R110-R114 PolarHBondContact O-N 2.94Å; E111-R114 WeakPolarHBondContact O-CB 3.28Å; E111-R114 PolarHBondContact O-N 2.87Å; E111-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 IonicContact OE1-CZ 3.29Å; E111-R114 IonicContact OE1-NH1 3.11Å; E111-R114 PolarHBondContact OE1-NH1 3.15Å; E111-R114 IonicContact OE1-NH2 3.73Å; E111-R114 IonicContact OE2-CZ 2.78Å; E111-R114 VanDerWaalsContact OE2-CZ 3.29Å; E111-R114 IonicContact OE2-NH1 3.05Å; E111-R114 PolarHBondContact OE2-NH1 2.9Å; E111-R114 VanDerWaalsContact OE2-NH1 3.11Å; E111-R114 IonicContact OE2-NH2 2.68Å; E111-R114 PolarHBondContact OE2-NH2 2.88Å; A112-R114 PolarHBondContact O-N 3.07Å; R114-V116 PolarHBondContact O-N 3.41Å; R114-R117 PolarHBondContact O-N 2.74Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R114-D118 PolarHBondContact O-N 2.91Å
115	R	89.8	Confident	85.3	Confident	128 Å²	128	77.8 Å²	77.8	48%	0.483	36%	0.359	S	S	.	.	H	α-helix	trans	-50.6	-53.6	176.3	-68.6	-166.2	-159	134.2	3.2	112.3	E111 A112 R117 D118 E119	E111-R115 PolarHBondContact O-N 3.43Å; A112-R115 PolarHBondContact O-N 2.6Å; R115-R117 PolarHBondContact O-N 2.72Å; R115-D118 CarbonylContact O-C 3.55Å; R115-D118 PolarHBondContact O-N 3.33Å; R115-D118 VanDerWaalsContact O-N 3.08Å; R115-E119 VanDerWaalsContact O-CB 3.32Å; R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 VanDerWaalsContact O-CG 3.24Å; R115-E119 WeakPolarHBondContact O-CG 3.3Å; R115-E119 PolarHBondContact O-N 2.84Å
116	V	89.5	Confident	84.1	Confident	11 Å²	11	80.3 Å²	80.3	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-35.2	-178.1	173	0	0	0	0	112	Q88 V90 L93 A112 R114 Q120	Q88-V116 WeakPolarHBondContact O-CG1 3.37Å; V90-V116 HydrophobicContact CG2-CB 4.35Å; V90-V116 HydrophobicContact CG2-CG1 3.56Å; L93-V116 HydrophobicContact CD1-CB 4.44Å; L93-V116 HydrophobicContact CD1-CG2 3.91Å; A112-V116 PolarHBondContact O-N 3.04Å; R114-V116 PolarHBondContact O-N 3.41Å; V116-Q120 WeakPolarHBondContact O-CB 3.48Å; V116-Q120 WeakPolarHBondContact O-CG 3.27Å; V116-Q120 PolarHBondContact O-N 2.8Å
117	R	86.6	Confident	82.8	Confident	128 Å²	128	82.4 Å²	82.4	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-75	-39	175.8	-71.8	175.3	-179.4	-160.6	-1.4	112.5	V90 I113 R114 R115 E119 Q120 L121	V90-R117 HydrophobicContact CG2-CG 4.12Å; I113-R117 WeakPolarHBondContact O-CD 3.19Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.95Å; R114-R117 PolarHBondContact O-N 2.74Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R115-R117 PolarHBondContact O-N 2.72Å; R117-E119 VanDerWaalsContact C-N 3.32Å; R117-Q120 PolarHBondContact O-N 2.88Å; R117-L121 WeakPolarHBondContact O-CB 3.47Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 2.75Å
118	D	86.8	Confident	81	Confident	88 Å²	88	80.2 Å²	80.2	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-36.6	176.2	-61.6	-24.4	0	0	0	110.6	R114 R115 L121 Q122	R114-D118 PolarHBondContact O-N 2.91Å; R115-D118 CarbonylContact O-C 3.55Å; R115-D118 PolarHBondContact O-N 3.33Å; R115-D118 VanDerWaalsContact O-N 3.08Å; D118-L121 PolarHBondContact O-N 3.34Å; D118-Q122 WeakPolarHBondContact O-CB 3.15Å; D118-Q122 PolarHBondContact O-N 3.02Å
119	E	83	Confident	79.6	Confident	101 Å²	101	82.3 Å²	82.3	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-46.6	173.1	-73.2	159.7	-162.7	0	0	111.8	R115 R117 L121 Q122 E123	R115-E119 VanDerWaalsContact O-CB 3.32Å; R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 VanDerWaalsContact O-CG 3.24Å; R115-E119 WeakPolarHBondContact O-CG 3.3Å; R115-E119 PolarHBondContact O-N 2.84Å; R117-E119 VanDerWaalsContact C-N 3.32Å; E119-L121 VanDerWaalsContact C-N 3.31Å; E119-L121 PolarHBondContact O-N 2.79Å; E119-Q122 PolarHBondContact O-N 3.2Å; E119-E123 PolarHBondContact O-N 2.95Å
120	Q	83.1	Confident	77.8	Confident	102 Å²	102	87.6 Å²	87.6	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-38.7	173	-76.2	172.3	7.7	0	0	112.2	V116 R117 S124	V116-Q120 WeakPolarHBondContact O-CB 3.48Å; V116-Q120 WeakPolarHBondContact O-CG 3.27Å; V116-Q120 PolarHBondContact O-N 2.8Å; R117-Q120 PolarHBondContact O-N 2.88Å; Q120-S124 WeakPolarHBondContact O-CB 3.41Å; Q120-S124 PolarHBondContact O-N 2.77Å
121	L	82.1	Confident	75.7	Confident	112 Å²	112	85.8 Å²	85.8	59%	0.586	43%	0.427	S	S	*	.	H	α-helix	trans	-66	-44.2	174	-75.1	168.3	0	0	0	111.3	R117 D118 E119 S124 A125	R117-L121 WeakPolarHBondContact O-CB 3.47Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 2.75Å; D118-L121 PolarHBondContact O-N 3.34Å; E119-L121 VanDerWaalsContact C-N 3.31Å; E119-L121 PolarHBondContact O-N 2.79Å; L121-S124 PolarHBondContact O-N 3.27Å; L121-S124 PolarHBondContact O-OG 2.74Å; L121-A125 WeakPolarHBondContact O-CB 3.25Å; L121-A125 PolarHBondContact O-N 3.45Å
122	Q	77.1	Confident	73.7	Confident	93 Å²	93	88.3 Å²	88.3	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-46	176.3	-174.8	68.2	10.4	0	0	111.7	D118 E119 S124 A125 E126	D118-Q122 WeakPolarHBondContact O-CB 3.15Å; D118-Q122 PolarHBondContact O-N 3.02Å; E119-Q122 PolarHBondContact O-N 3.2Å; Q122-S124 VanDerWaalsContact C-N 3.3Å; Q122-S124 PolarHBondContact O-N 2.94Å; Q122-A125 CarbonylContact O-C 3.59Å; Q122-A125 PolarHBondContact O-N 3.39Å; Q122-A125 VanDerWaalsContact O-N 3.15Å; Q122-E126 PolarHBondContact NE2-OE1 2.8Å; Q122-E126 WeakPolarHBondContact O-CG 3.08Å; Q122-E126 PolarHBondContact O-N 3.02Å
123	E	70.1	Confident	71.3	Confident	109 Å²	109	93.4 Å²	93.4	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-57.8	-42.8	173.6	-82.6	-155	164.9	0	0	111.7	E119 A125 E126 K127	E119-E123 PolarHBondContact O-N 2.95Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 3.17Å; E123-E126 PolarHBondContact O-N 2.76Å; E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.3Å; E123-K127 WeakPolarHBondContact O-CD 3.33Å; E123-K127 VanDerWaalsContact O-CG 3.23Å; E123-K127 WeakPolarHBondContact O-CG 3.35Å; E123-K127 PolarHBondContact O-N 3.35Å; E123-K127 IonicContact OE2-NZ 2.59Å; E123-K127 PolarHBondContact OE2-NZ 3.35Å
124	S	67	Low	69.1	Low	67 Å²	67	102.3 Å²	102.3	47%	0.469	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-38	178	79.1	0	0	0	0	111.8	Q120 L121 Q122 S128	Q120-S124 WeakPolarHBondContact O-CB 3.41Å; Q120-S124 PolarHBondContact O-N 2.77Å; L121-S124 PolarHBondContact O-N 3.27Å; L121-S124 PolarHBondContact O-OG 2.74Å; Q122-S124 VanDerWaalsContact C-N 3.3Å; Q122-S124 PolarHBondContact O-N 2.94Å; S124-S128 WeakPolarHBondContact O-CB 3.44Å; S124-S128 PolarHBondContact O-N 2.88Å
125	A	73.2	Confident	66.5	Low	37 Å²	37	105 Å²	105	31%	0.306	53%	0.531	S	S	.	.	H	α-helix	trans	-71.2	-32.3	176.1	0	0	0	0	0	112.5	L121 Q122 E123 K129	L121-A125 WeakPolarHBondContact O-CB 3.25Å; L121-A125 PolarHBondContact O-N 3.45Å; Q122-A125 CarbonylContact O-C 3.59Å; Q122-A125 PolarHBondContact O-N 3.39Å; Q122-A125 VanDerWaalsContact O-N 3.15Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 3.17Å; A125-K129 WeakPolarHBondContact O-CD 3.44Å; A125-K129 VanDerWaalsContact O-CG 3.22Å; A125-K129 WeakPolarHBondContact O-CG 3.48Å; A125-K129 PolarHBondContact O-N 3.45Å
126	E	63.7	Low	63.7	Low	95 Å²	95	106.3 Å²	106.3	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-78.8	-40.8	176.4	-73.1	-177.9	-173.4	0	0	112.4	Q122 E123 S128 K129 V130	Q122-E126 PolarHBondContact NE2-OE1 2.8Å; Q122-E126 WeakPolarHBondContact O-CG 3.08Å; Q122-E126 PolarHBondContact O-N 3.02Å; E123-E126 PolarHBondContact O-N 2.76Å; E126-S128 VanDerWaalsContact C-N 3.25Å; E126-S128 PolarHBondContact O-N 3.01Å; E126-K129 PolarHBondContact O-N 3.3Å; E126-K129 VanDerWaalsContact O-N 3.1Å; E126-V130 WeakPolarHBondContact O-CG2 3.37Å; E126-V130 PolarHBondContact O-N 3.2Å
127	K	62.3	Low	61.8	Low	131 Å²	131	111.3 Å²	111.3	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-57.7	-41.1	169.1	-71.7	162.2	-177.7	170.3	0	110.6	E123 V130 S131	E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.3Å; E123-K127 WeakPolarHBondContact O-CD 3.33Å; E123-K127 VanDerWaalsContact O-CG 3.23Å; E123-K127 WeakPolarHBondContact O-CG 3.35Å; E123-K127 PolarHBondContact O-N 3.35Å; E123-K127 IonicContact OE2-NZ 2.59Å; E123-K127 PolarHBondContact OE2-NZ 3.35Å; K127-V130 PolarHBondContact O-N 2.85Å; K127-S131 PolarHBondContact O-N 3.42Å; K127-S131 PolarHBondContact O-OG 2.83Å
128	S	56.1	Low	59	Low	64 Å²	64	114.3 Å²	114.3	45%	0.448	60%	0.595	S	S	.	*	H	α-helix	trans	-63.6	-37.9	173.2	-175.7	0	0	0	0	113.7	S124 E126 S131 I132	S124-S128 WeakPolarHBondContact O-CB 3.44Å; S124-S128 PolarHBondContact O-N 2.88Å; E126-S128 VanDerWaalsContact C-N 3.25Å; E126-S128 PolarHBondContact O-N 3.01Å; S128-S131 WeakPolarHBondContact CA-OG 3.37Å; S128-S131 PolarHBondContact O-OG 2.59Å; S128-I132 WeakPolarHBondContact O-CD1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.38Å
129	K	57.8	Low	56.2	Low	113 Å²	113	114.9 Å²	114.9	49%	0.491	61%	0.605	S	S	.	*	H	α-helix	trans	-67.4	-45.9	173.4	-70.2	160.4	-161.4	164	0	111.8	A125 E126 S131 I132	A125-K129 WeakPolarHBondContact O-CD 3.44Å; A125-K129 VanDerWaalsContact O-CG 3.22Å; A125-K129 WeakPolarHBondContact O-CG 3.48Å; A125-K129 PolarHBondContact O-N 3.45Å; E126-K129 PolarHBondContact O-N 3.3Å; E126-K129 VanDerWaalsContact O-N 3.1Å; K129-S131 VanDerWaalsContact C-N 3.28Å; K129-S131 PolarHBondContact O-N 3.05Å; K129-I132 PolarHBondContact O-N 2.8Å
130	V	53.3	Low	53.7	Low	111 Å²	111	114.9 Å²	114.9	67%	0.673	62%	0.623	S	S	*	*	H	α-helix	trans	-61.4	-37.2	179.5	172.9	0	0	0	0	111.3	E126 K127 I132 C133	E126-V130 WeakPolarHBondContact O-CG2 3.37Å; E126-V130 PolarHBondContact O-N 3.2Å; K127-V130 PolarHBondContact O-N 2.85Å; V130-I132 PolarHBondContact O-N 3.29Å; V130-C133 PolarHBondContact O-N 2.97Å
131	S	47.2	Very low	51	Low	93 Å²	93	114.4 Å²	114.4	65%	0.65	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-12.4	175.4	51.9	0	0	0	0	115.5	K127 S128 K129	K127-S131 PolarHBondContact O-N 3.42Å; K127-S131 PolarHBondContact O-OG 2.83Å; S128-S131 WeakPolarHBondContact CA-OG 3.37Å; S128-S131 PolarHBondContact O-OG 2.59Å; K129-S131 VanDerWaalsContact C-N 3.28Å; K129-S131 PolarHBondContact O-N 3.05Å
132	I	48.7	Very low	49.2	Very low	134 Å²	134	114.2 Å²	114.2	69%	0.687	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-16.2	-179.9	-70	169.2	0	0	0	112	S128 K129 V130	S128-I132 WeakPolarHBondContact O-CD1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.38Å; K129-I132 PolarHBondContact O-N 2.8Å; V130-I132 PolarHBondContact O-N 3.29Å
133	C	39.9	Very low	46.8	Very low	112 Å²	112	117.7 Å²	117.7	76%	0.757	66%	0.658	S	S	*	*	S	Bend	trans	-106.3	27.5	-169.4	-65.4	0	0	0	0	115.3	V130	V130-C133 PolarHBondContact O-N 2.97Å
134	R	43.8	Very low	44.6	Very low	203 Å²	203	117.5 Å²	117.5	77%	0.766	67%	0.669	S	S	*	*			trans	-136.7	85.1	177	-166	179.1	-176.9	166.6	3.6	114.4
135	L	35.1	Very low	42.7	Very low	173 Å²	173	121.5 Å²	121.5	91%	0.906	68%	0.683	S	S	*	*			trans	-135.8	137.5	148.3	-75.7	179.5	0	0	0	109.3
136	E	30.8	Very low	40.6	Very low	156 Å²	156	126.5 Å²	126.5	73%	0.729	71%	0.709	S	S	*	*			trans	-52.6	151.7	-162.5	-58.4	-65.7	107.6	0	0	118.1
137	P	50.7	Low	38.8	Very low	116 Å²	116	125.6 Å²	125.6	75%	0.753	73%	0.726	S	S	*	*			trans	-113.9	127.8	164	36.2	-23.9	0	0	0	113.5
138	E	28.3	Very low	37.2	Very low	190 Å²	190	124.2 Å²	124.2	89%	0.888	74%	0.739	S	S	*	*			trans	-159.1	148.8	143.2	-125.8	-158.5	106.9	0	0	115.7
139	S	27.6	Very low	35.9	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	75%	0.751	S	S	*	*			trans	40	105.3	144.3	-157	0	0	0	0	121
140	A	29.3	Very low	34.6	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	77%	0.769	S	S	*	*				-176.4	145.4	102.5	0	0	0	0	0	112.5
141	A	27.1	Very low	33.5	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	77%	0.774	S	S	*	*			trans	-109.8	-167.4	166.6	0	0	0	0	0	108
142	P	44.5	Very low	32.5	Very low	108 Å²	108	132.8 Å²	132.8	70%	0.701	78%	0.783	S	S	*	*			cis	-143.4	-168.1	1.5	27.7	-0.4	0	0	0	115.9
143	Q	25.6	Very low	31.6	Very low	167 Å²	167	131.3 Å²	131.3	78%	0.78	78%	0.784	S	S	*	*			trans	113.8	126.9	139.7	-55.7	-158.8	10.4	0	0	120.7
144	S	25	Very low	31.2	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	79%	0.791	S	S	*	*			trans	79	148.6	139.8	86.6	0	0	0	0	119
145	I	27.6	Very low	31	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	79%	0.789	S	S	*	*			cis	-159.6	151	-14.1	-121.7	171.5	0	0	0	110.3
146	V	28	Very low	30.8	Very low	141 Å²	141	131.1 Å²	131.1	86%	0.855	78%	0.78	S	S	*	*			trans	38.9	130.6	156.9	-179.1	0	0	0	0	120.6
147	G	26.9	Very low	31	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	77%	0.773	S	S	*	*			trans	173.6	127.2	156.7	0	0	0	0	0	113.4
148	A	27	Very low	30	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	77%	0.773	S	S	*	*			trans	-102	153	-169.9	0	0	0	0	0	115.1
149	A	30.8	Very low	30	Very low	85 Å²	85	128.3 Å²	128.3	70%	0.702	77%	0.767	S	S	*	*			trans	78.3	118.7	143.5	0	0	0	0	0	122.2
150	Q	29.3	Very low	31.2	Very low	187 Å²	187	128 Å²	128	87%	0.874	76%	0.763	S	S	*	*			trans	86.9	152.6	141.2	-68.7	-175.3	80.5	0	0	122.7
151	S	29.4	Very low	31.5	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	76%	0.757	S	S	*	*			trans	75.4	119	165	50	0	0	0	0	122.3
152	E	28	Very low	31.7	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	75%	0.754	S	S	*	*			trans	57.4	104.2	132.5	-57.7	-154.2	123.6	0	0	124.3
153	S	29.4	Very low	31.1	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	75%	0.754	S	S	*	*				56.3	114.1	121.2	77.9	0	0	0	0	123.6
154	R	30.8	Very low	31.4	Very low	238 Å²	238	132.2 Å²	132.2	90%	0.898	75%	0.747	S	S	*	*				82	130.5	125.2	-155.2	175.7	-169.5	179.3	2.7	118.9
155	P	39.7	Very low	31.7	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	75%	0.747	S	S	*	*			trans	-95.6	138.4	-176.6	37.2	-35.5	0	0	0	115
156	D	31.8	Very low	31.6	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	74%	0.74	S	S	*	*				35.6	143.5	93.9	-72.7	11.9	0	0	0	120
157	L	34.8	Very low	31.5	Very low	113 Å²	113	134.4 Å²	134.4	59%	0.592	74%	0.74	S	S	*	*			cis	-162.1	152	-5.8	-112	170.7	0	0	0	112.5
158	R	29.8	Very low	31.6	Very low	195 Å²	195	138.5 Å²	138.5	74%	0.736	74%	0.739	S	S	*	*			trans	31.7	119.2	132.4	-172	-176.7	-62.5	164.4	4	118.3	P160	R158-P160 HydrophobicContact CG-CG 4.29Å
159	A	28.3	Very low	31.6	Very low	94 Å²	94	137.3 Å²	137.3	78%	0.777	73%	0.729	S	S	*	*			cis	66.1	-177.5	45.4	0	0	0	0	0	113.1
160	P	52.6	Low	31.6	Very low	94 Å²	94	141.6 Å²	141.6	61%	0.61	73%	0.734	S	S	*	*			cis	-141.5	-160.4	-5.6	27.8	-0	0	0	0	115	R158	R158-P160 HydrophobicContact CG-CG 4.29Å
161	I	35.3	Very low	31.4	Very low	139 Å²	139	141.6 Å²	141.6	71%	0.713	73%	0.734	S	S	*	*			trans	81.6	129.6	156.4	-47.8	-176.3	0	0	0	117.6
162	Q	31.3	Very low	31.2	Very low	148 Å²	148	140.5 Å²	140.5	69%	0.692	72%	0.719	S	S	*	*			cis	112.2	150.7	7.9	-83.4	-178.2	-90.2	0	0	116.9
163	E	32.9	Very low	31.2	Very low	150 Å²	150	140.9 Å²	140.9	70%	0.701	71%	0.713	S	S	*	*			trans	73.9	156.2	146.5	-80.3	177.9	175.4	0	0	119.3
164	L	31.9	Very low	30.9	Very low	119 Å²	119	142.7 Å²	142.7	62%	0.623	71%	0.71	S	S	*	*			cis	-154	152	5.7	-124.2	165.3	0	0	0	112.6
165	H	29.9	Very low	30.8	Very low	157 Å²	157	137.7 Å²	137.7	73%	0.727	70%	0.7	S	S	*	*			trans	64.5	129.2	141.2	-97	-170	0	0	0	127.7
166	T	26.2	Very low	30.2	Very low	105 Å²	105	138.8 Å²	138.8	64%	0.644	70%	0.696	S	S	*	*			trans	57.4	121.8	132.2	60.9	0	0	0	0	124.2
167	Q	26.3	Very low	30.1	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	70%	0.697	S	S	*	*				-168.6	164	116.7	-108.3	166.7	78.9	0	0	112.9
168	Q	29.3	Very low	29.7	Very low	163 Å²	163	146.4 Å²	146.4	76%	0.762	71%	0.713	S	S	*	*			trans	25.9	119.1	165.7	-105.2	58.9	2.3	0	0	120.2
169	A	26.6	Very low	29.6	Very low	77 Å²	77	140.5 Å²	140.5	64%	0.636	71%	0.712	S	S	*	*			cis	96.4	126.9	21.9	0	0	0	0	0	117.4
170	Q	29.4	Very low	29.8	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	71%	0.714	S	S	*	*			trans	67.9	118.3	156	-67.3	172.6	-35.8	0	0	121.4
171	H	25.9	Very low	28.7	Very low	187 Å²	187	146.3 Å²	146.3	87%	0.866	72%	0.716	S	S	*	*				-168.6	145.7	97.8	-144.7	-85.3	0	0	0	110.8
172	D	26	Very low	28.8	Very low	86 Å²	86	144.9 Å²	144.9	46%	0.46	72%	0.718	S	S	.	*			cis	-153.4	164	-44.9	-171.8	27.4	0	0	0	108.3
173	R	26.6	Very low	28.8	Very low	188 Å²	188	144.8 Å²	144.8	71%	0.709	72%	0.722	S	S	*	*			trans	55.5	116.7	155.1	-90.5	-174.5	166.7	98.4	-6	124.3
174	E	24.8	Very low	29	Very low	141 Å²	141	143 Å²	143	66%	0.659	73%	0.726	S	S	*	*				62.1	116.3	104.7	-161.3	-178.3	177.9	0	0	121
175	L	28.2	Very low	29	Very low	133 Å²	133	140.1 Å²	140.1	70%	0.696	73%	0.725	S	S	*	*				173.3	125.1	116.5	-90.8	173.2	0	0	0	114.3
176	Q	26.6	Very low	29.3	Very low	134 Å²	134	141 Å²	141	63%	0.626	73%	0.732	S	S	*	*			trans	69.5	153.9	146.8	-62.4	-170.4	84.7	0	0	122.1
177	R	29.6	Very low	29.5	Very low	198 Å²	198	141.5 Å²	141.5	75%	0.747	74%	0.735	S	S	*	*			cis	-171.6	141.1	-36.3	-117.4	-166.7	-63.6	-153.6	4	109.5
178	K	26.7	Very low	29.8	Very low	211 Å²	211	139.8 Å²	139.8	92%	0.917	73%	0.731	S	S	*	*			trans	62.6	141.9	173.4	-60.6	179.2	173.4	-178.5	0	116.5
179	G	28	Very low	30	Very low	70 Å²	70	137.6 Å²	137.6	72%	0.722	73%	0.728	S	S	*	*			cis	149.3	158.8	-16.2	0	0	0	0	0	114.8
180	K	31.5	Very low	30.4	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	74%	0.739	S	S	*	*			trans	72.4	132.6	148.3	-127.6	173.4	-178.5	-176.4	0	119.8
181	D	29.4	Very low	30.6	Very low	120 Å²	120	139.6 Å²	139.6	64%	0.642	73%	0.733	S	S	*	*			cis	-163	152.8	-22.7	-97.8	-9.7	0	0	0	108.1
182	S	37	Very low	31.2	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	73%	0.727	S	S	*	*			trans	61	163.7	155.6	-53.8	0	0	0	0	119.2
183	D	32.8	Very low	31.5	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	74%	0.742	S	S	*	*			cis	-151.3	168.6	-4.6	-142.3	-30.9	0	0	0	112.3
184	S	37	Very low	31.7	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	74%	0.74	S	S	*	*			trans	58.2	139.6	148.6	-162.5	0	0	0	0	121.5
185	G	31.9	Very low	32	Very low	59 Å²	59	140.5 Å²	140.5	61%	0.608	75%	0.751	S	S	*	*			cis	157.6	111.1	-8.4	0	0	0	0	0	116.2
186	M	35	Very low	32.1	Very low	176 Å²	176	140.6 Å²	140.6	87%	0.867	75%	0.752	S	S	*	*			trans	65.1	152.3	150.5	-59.6	-82	-177.2	0	0	119
187	V	32	Very low	32.2	Very low	116 Å²	116	141.5 Å²	141.5	70%	0.703	76%	0.761	S	S	*	*			cis	89.6	123.4	21.7	171.5	0	0	0	0	113.8
188	L	32.6	Very low	32.2	Very low	145 Å²	145	138 Å²	138	76%	0.759	76%	0.762	S	S	*	*			cis	-158	156.7	-8.9	-110.3	179.3	0	0	0	112.4
189	V	33.2	Very low	32.4	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	76%	0.76	S	S	*	*			trans	16.3	134	141.8	166.3	0	0	0	0	121.5
190	L	35.3	Very low	32.4	Very low	165 Å²	165	133.8 Å²	133.8	86%	0.864	76%	0.758	S	S	*	*				-165.2	170.3	118.1	-146.7	58.1	0	0	0	113.7
191	D	32.3	Very low	33.6	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	76%	0.756	S	S	*	*			trans	-93.5	165.5	-168.8	-107	-59.3	0	0	0	116.3
192	H	39.4	Very low	33.5	Very low	160 Å²	160	132 Å²	132	74%	0.741	76%	0.761	S	S	*	*				164.4	125.3	112.6	-90.9	-61.9	0	0	0	118.6
193	L	32.6	Very low	33.3	Very low	147 Å²	147	133.1 Å²	133.1	77%	0.77	76%	0.758	S	S	*	*				82.2	108.3	123.7	-151.5	74.4	0	0	0	124.1
194	V	30.6	Very low	33.1	Very low	112 Å²	112	133.7 Å²	133.7	68%	0.679	76%	0.76	S	S	*	*			trans	64.1	123.7	137.1	176.3	0	0	0	0	122.9
195	K	30	Very low	32.8	Very low	202 Å²	202	136.5 Å²	136.5	88%	0.878	76%	0.761	S	S	*	*				-167.2	164.8	120.9	-113.4	178.5	-178.2	180	0	114.4
196	D	30.9	Very low	33.8	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	76%	0.762	S	S	*	*			trans	-107.8	-171	-165.5	-55.4	-88.3	0	0	0	114.9
197	D	29.5	Very low	33.5	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	75%	0.752	S	S	*	*			trans	94.1	117.2	153.9	-66.7	-32.1	0	0	0	123.3
198	T	29.2	Very low	33.6	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	75%	0.751	S	S	*	*			trans	-22.8	141.7	156.5	56.7	0	0	0	0	120.1
199	S	30.8	Very low	33.4	Very low	126 Å²	126	139.8 Å²	139.8	88%	0.881	75%	0.747	S	S	*	*				168	168.6	119.9	48.9	0	0	0	0	113.2
200	G	27.5	Very low	33.4	Very low	67 Å²	67	138 Å²	138	69%	0.691	74%	0.744	S	S	*	*			trans	-127.2	-160.8	162.7	0	0	0	0	0	109.8
201	P	56.3	Low	33	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	75%	0.745	S	S	*	*			cis	-144.6	-161.8	6.8	43.1	-22.2	0	0	0	115.3
202	M	28.6	Very low	33.2	Very low	154 Å²	154	138.3 Å²	138.3	76%	0.759	75%	0.748	S	S	*	*			trans	72.3	110.8	151.4	-65.8	-86.9	96.8	0	0	123.4
203	L	31.1	Very low	34	Very low	133 Å²	133	136 Å²	136	70%	0.696	75%	0.747	S	S	*	*				66.2	133.7	123	-67.6	-179.7	0	0	0	126.1
204	I	28.5	Very low	33.7	Very low	157 Å²	157	137.1 Å²	137.1	81%	0.805	75%	0.748	S	S	*	*			trans	102.6	146.6	130.4	-81.3	167	0	0	0	122.8
205	Q	30.8	Very low	33.7	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	76%	0.755	S	S	*	*			trans	-95.7	-151.3	-176.1	-132.6	-171.5	-12.1	0	0	111
206	P	53.2	Low	33.5	Very low	98 Å²	98	134.9 Å²	134.9	64%	0.636	75%	0.752	S	S	*	*			cis	-114.6	-132.3	6.2	29.8	-4.5	0	0	0	112.1
207	Q	28.2	Very low	33.5	Very low	142 Å²	142	133 Å²	133	66%	0.664	75%	0.749	S	S	*	*			cis	-162.6	174.8	0.3	-131.2	-177.3	136.1	0	0	105.7
208	R	34.2	Very low	33.4	Very low	182 Å²	182	133 Å²	133	69%	0.687	75%	0.748	S	S	*	*			cis	-167.7	-172.9	-3.3	-143	-175.4	172.9	147.3	-31.9	107
209	E	28.1	Very low	33.4	Very low	143 Å²	143	134.3 Å²	134.3	67%	0.668	75%	0.75	S	S	*	*			cis	-149.2	-110.3	-5.4	-176	73.5	-43.5	0	0	110.1
210	A	33.6	Very low	33.4	Very low	78 Å²	78	133.6 Å²	133.6	65%	0.645	74%	0.744	S	S	*	*			trans	-159.7	-173.9	-171.4	0	0	0	0	0	110.7
211	M	26.9	Very low	33.6	Very low	177 Å²	177	137.2 Å²	137.2	87%	0.872	75%	0.748	S	S	*	*			cis	-159.6	-174	26.7	-153.1	82.1	162	0	0	112.3
212	T	37.4	Very low	32.3	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	75%	0.747	S	S	*	*			trans	-95.6	-169.8	-171	50.7	0	0	0	0	114.5
213	P	55.5	Low	32.4	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	75%	0.746	S	S	*	*			cis	-148.7	173.4	11.9	45.1	-23.6	0	0	0	122.2
214	E	27.7	Very low	32.4	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	75%	0.753	S	S	*	*			trans	25.1	140	146.2	-56.9	-57.8	107.8	0	0	126.2
215	S	29.7	Very low	32.7	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	74%	0.741	S	S	*	*				171.9	130.8	127.1	-73.3	0	0	0	0	118.2
216	D	25.9	Very low	32.5	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	74%	0.738	S	S	*	*			trans	33.6	119.7	147.3	-85.9	-50.9	0	0	0	129.4
217	S	29.8	Very low	31.5	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	74%	0.743	S	S	*	*				66.1	120.9	105.8	-62	0	0	0	0	128.7
218	L	28.7	Very low	31.7	Very low	153 Å²	153	138.4 Å²	138.4	80%	0.801	75%	0.75	S	S	*	*			trans	87.9	113.9	137.5	-62.5	173.1	0	0	0	126.6
219	L	29.3	Very low	31.5	Very low	151 Å²	151	134.2 Å²	134.2	79%	0.791	75%	0.754	S	S	*	*				75.3	144.5	128.3	-69.8	174.3	0	0	0	127.2
220	S	31	Very low	31.5	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	76%	0.757	S	S	*	*			trans	95.8	113.5	160.3	-41	0	0	0	0	117.5
221	D	30.8	Very low	31.1	Very low	144 Å²	144	135 Å²	135	77%	0.77	76%	0.761	S	S	*	*				83.9	144.5	80.4	-151.4	29.7	0	0	0	112
222	R	29.5	Very low	31.1	Very low	200 Å²	200	136.9 Å²	136.9	76%	0.755	76%	0.758	S	S	*	*			cis	-173.9	175.3	31.4	-164.6	175.1	165	-177.4	-3.8	114.2
223	T	29.8	Very low	30.6	Very low	119 Å²	119	136.8 Å²	136.8	73%	0.73	76%	0.762	S	S	*	*			trans	85	148.8	159.5	78.1	0	0	0	0	117.9
224	R	31.9	Very low	29.2	Very low	225 Å²	225	134.5 Å²	134.5	85%	0.849	76%	0.759	S	S	*	*			cis	-169	179	-1.2	-125.2	-172.3	160	143	-1.3	109.6
225	S	33.9	Very low	29.2	Very low	79 Å²	79	132.9 Å²	132.9	55%	0.552	76%	0.761	S	S	*	*			cis	-168.7	169.6	-11.4	-141.9	0	0	0	0	112.5
226	N	26.9	Very low	29.1	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	75%	0.752	S	S	*	*			trans	78.9	97.7	145.8	-64.4	8.5	0	0	0	126
227	S	32.3	Very low	29.3	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	75%	0.749	S	S	*	*				66.8	116.5	101.4	-55.8	0	0	0	0	127.3
228	T	33	Very low	29.3	Very low	132 Å²	132	133 Å²	133	81%	0.81	75%	0.751	S	S	*	*				94.7	102.5	119.3	-56.2	0	0	0	0	124.9
229	A	29.2	Very low	29.4	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	75%	0.748	S	S	*	*				67.6	147.1	126.2	0	0	0	0	0	127.8
230	S	28.8	Very low	29.2	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	74%	0.744	S	S	*	*			trans	92	122.2	145.2	-105.4	0	0	0	0	124.6
231	D	24.9	Very low	29	Very low	136 Å²	136	129 Å²	129	73%	0.727	73%	0.734	S	S	*	*			trans	89.4	144.7	130.3	-88.9	-70.9	0	0	0	125.9
232	R	27.8	Very low	28.8	Very low	216 Å²	216	128.2 Å²	128.2	82%	0.815	73%	0.73	S	S	*	*			trans	70.2	105.3	153.3	-74.2	171	172.3	-120	-3.9	122.7
233	S	25.6	Very low	28.8	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	73%	0.728	S	S	*	*				56.7	126.1	114.3	-52.7	0	0	0	0	122.6
234	G	26.6	Very low	28.5	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	73%	0.731	S	S	*	*				132.5	122.5	120.8	0	0	0	0	0	119
235	T	27.9	Very low	28.3	Very low	138 Å²	138	121.3 Å²	121.3	85%	0.847	72%	0.723	S	S	*	*			trans	56.8	118.9	147.8	51.6	0	0	0	0	119.8
236	S	28.3	Very low	28.1	Very low	91 Å²	91	125 Å²	125	64%	0.636	74%	0.742	S	S	*	*				81.7	136.4	85.6	-142.9	0	0	0	0	112.1
237	V	30.1	Very low	28.3	Very low	120 Å²	120	122.9 Å²	122.9	73%	0.727	74%	0.743	S	S	*	*				-147.5	144.7	50.7	-75.3	0	0	0	0	115.8
238	H	30.1	Very low	28.2	Very low	154 Å²	154	123.2 Å²	123.2	71%	0.713	75%	0.745	S	S	*	*			trans	33.5	143.1	134.5	-58.9	-60.7	0	0	0	121.4
239	S	29.2	Very low	28	Very low	104 Å²	104	123.7 Å²	123.7	73%	0.727	74%	0.738	S	S	*	*				-156.7	145.4	51.7	-69.4	0	0	0	0	116.8
240	M	25.5	Very low	28.2	Very low	146 Å²	146	127.2 Å²	127.2	72%	0.719	74%	0.736	S	S	*	*			trans	40.8	114	141.7	-43.8	-87.3	52.9	0	0	117.9
241	S	26.9	Very low	28.1	Very low	78 Å²	78	127.3 Å²	127.3	55%	0.545	74%	0.737	S	S	.	*			cis	69.6	125.3	15.3	95.5	0	0	0	0	118.3
242	N	25.5	Very low	28.4	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	74%	0.744	S	S	*	*			trans	71.1	154.9	159.8	-58.7	-14	0	0	0	117.1
243	Q	29.8	Very low	28.4	Very low	156 Å²	156	122.1 Å²	122.1	73%	0.729	74%	0.743	S	S	*	*			cis	-163.9	159.5	-20.6	-109	161.4	21.8	0	0	106.2
244	D	23.2	Very low	28.8	Very low	146 Å²	146	121.3 Å²	121.3	78%	0.781	74%	0.737	S	S	*	*				-179.6	174.1	102.7	-130.7	-45.4	0	0	0	114.4
245	S	29.3	Very low	28.9	Very low	97 Å²	97	124.7 Å²	124.7	68%	0.678	74%	0.74	S	S	*	*			trans	-86.2	145	-169.2	-40.9	0	0	0	0	113.2
246	V	29.9	Very low	29	Very low	157 Å²	157	126.4 Å²	126.4	95%	0.952	74%	0.738	S	S	*	*				-152.4	167.8	121.9	-127.1	0	0	0	0	109.9
247	A	30	Very low	29.5	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	75%	0.746	S	S	*	*			trans	-116.3	155.3	-178.2	0	0	0	0	0	112.7
248	S	31.3	Very low	30.2	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	75%	0.75	S	S	*	*				141.2	155.2	123.6	-156	0	0	0	0	115.2
249	E	27.9	Very low	30.2	Very low	142 Å²	142	135 Å²	135	66%	0.664	75%	0.753	S	S	*	*			trans	80.9	128.2	160.9	-65.8	-119.1	88.4	0	0	121.9
250	K	32.8	Very low	30.5	Very low	169 Å²	169	136 Å²	136	74%	0.735	75%	0.75	S	S	*	*			trans	83.1	77.1	152.8	-70.6	148.7	-174.5	153.2	0	120.6
251	S	28.2	Very low	30.5	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	75%	0.75	S	S	*	*			trans	63.4	108.7	140.8	-146.6	0	0	0	0	118.3
252	L	30.3	Very low	30.8	Very low	168 Å²	168	136.7 Å²	136.7	88%	0.88	76%	0.758	S	S	*	*				56.1	124.2	63.8	-52.3	174.3	0	0	0	112.9
253	G	28.1	Very low	30.9	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	76%	0.759	S	S	*	*			cis	172.9	-174.2	-1.2	0	0	0	0	0	110.1
254	S	34.2	Very low	31	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	77%	0.767	S	S	*	*			cis	-171.6	148.9	-20.8	65.8	0	0	0	0	110.7
255	N	29.1	Very low	31.4	Very low	136 Å²	136	130 Å²	130	73%	0.727	77%	0.768	S	S	*	*			trans	61.8	158.3	142.8	-68.8	-24.2	0	0	0	120.4
256	Q	29.4	Very low	31.4	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	77%	0.769	S	S	*	*			cis	-155.7	177	-0.4	-127.9	162.4	43.3	0	0	113.3
257	R	39.5	Very low	31.5	Very low	216 Å²	216	134.2 Å²	134.2	82%	0.815	76%	0.761	S	S	*	*			trans	-102.2	164	165.1	-68.1	174.2	167.8	164.5	-6.5	110.3
258	P	44.2	Very low	31.4	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	76%	0.76	S	S	*	*				-114.1	178.5	83.4	-10.5	30.9	0	0	0	113.3
259	R	28.9	Very low	31.3	Very low	206 Å²	206	138.2 Å²	138.2	78%	0.777	76%	0.763	S	S	*	*			cis	85.4	138.7	-4.5	-144.5	-161.5	172.7	-142.6	-6	120.8
260	L	36.6	Very low	31.1	Very low	127 Å²	127	136 Å²	136	67%	0.665	76%	0.763	S	S	*	*			trans	85.3	148.4	168	-53.8	178.4	0	0	0	115.3
261	D	26.1	Very low	30.9	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	76%	0.763	S	S	*	*			cis	-142.7	177.4	11.6	-164.1	25.2	0	0	0	115.1
262	S	31.9	Very low	30.8	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	76%	0.761	S	S	*	*			trans	-19.6	162.2	162.4	-56.2	0	0	0	0	120.3
263	G	28.8	Very low	30.8	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	76%	0.757	S	S	*	*			cis	163.5	171.6	-2.1	0	0	0	0	0	113.4
264	A	31.8	Very low	30.7	Very low	108 Å²	108	140.4 Å²	140.4	89%	0.893	76%	0.762	S	S	*	*			trans	62.7	170.8	174.9	0	0	0	0	0	118.8
265	S	30.4	Very low	30.3	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	77%	0.766	S	S	*	*				-173.2	145.5	-50.4	-169.7	0	0	0	0	112
266	D	30.3	Very low	30.2	Very low	130 Å²	130	143.6 Å²	143.6	70%	0.695	77%	0.773	S	S	*	*			trans	81.1	155.8	152.6	-155	26.2	0	0	0	122.2
267	R	30.7	Very low	30.2	Very low	213 Å²	213	141.5 Å²	141.5	80%	0.804	77%	0.766	S	S	*	*			trans	79.6	69.8	165.4	-58.2	-153.4	160.7	-153	-7.8	121.1
268	S	28.2	Very low	29.5	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	76%	0.763	S	S	*	*				23.2	128.8	102.9	-46.6	0	0	0	0	120.2
269	Q	29	Very low	28.8	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	76%	0.762	S	S	*	*				-154.8	153.4	122.5	-101.6	-58.5	-27	0	0	109.1
270	S	24.8	Very low	28.7	Very low	95 Å²	95	132.3 Å²	132.3	66%	0.664	77%	0.765	S	S	*	*			trans	-147.1	147.8	-163.8	60.2	0	0	0	0	116.3
271	S	28.2	Very low	28.4	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	77%	0.767	S	S	*	*			trans	72.4	167.3	159.4	83.6	0	0	0	0	119.1
272	S	27.3	Very low	28.9	Very low	99 Å²	99	128 Å²	128	69%	0.692	76%	0.761	S	S	*	*			trans	78.1	148.6	156.3	-58.4	0	0	0	0	118.8
273	Q	28.6	Very low	28.8	Very low	168 Å²	168	127.7 Å²	127.7	79%	0.785	75%	0.748	S	S	*	*			cis	-165.1	137.2	-23.7	-178	152	-65.1	0	0	111.8
274	R	26.9	Very low	29	Very low	238 Å²	238	132 Å²	132	90%	0.898	74%	0.743	S	S	*	*			trans	27.1	130.2	158.1	-71.2	177.2	155.8	-137.2	-2.3	122.6
275	G	26.6	Very low	28.9	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	73%	0.726	S	S	*	*			trans	107.4	162.4	142.6	0	0	0	0	0	116.5
276	R	25.5	Very low	28.8	Very low	229 Å²	229	130.4 Å²	130.4	86%	0.864	72%	0.721	S	S	*	*			cis	-166.4	145	-8.1	-148.8	-166.7	174.1	172.1	-4.1	110.2
277	L	29.1	Very low	28.5	Very low	128 Å²	128	129.4 Å²	129.4	67%	0.67	72%	0.724	S	S	*	*			trans	68.6	122.9	163.5	-47.4	-177.6	0	0	0	120.7
278	D	26.4	Very low	28.2	Very low	139 Å²	139	124.1 Å²	124.1	74%	0.743	72%	0.72	S	S	*	*				33.1	143.3	123.6	-35.7	-47.7	0	0	0	120.8
279	S	29.8	Very low	28.2	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	72%	0.724	S	S	*	*			cis	-158.5	162.3	23.8	-58.6	0	0	0	0	114.4
280	A	26.8	Very low	27.9	Very low	103 Å²	103	122.2 Å²	122.2	85%	0.851	71%	0.714	S	S	*	*			trans	64.7	160.5	154.2	0	0	0	0	0	118.7
281	A	30.2	Very low	28.1	Very low	85 Å²	85	123.1 Å²	123.1	70%	0.702	72%	0.72	S	S	*	*			cis	-145.3	-173.7	0.9	0	0	0	0	0	112.7
282	S	34.9	Very low	27.9	Very low	83 Å²	83	122.4 Å²	122.4	58%	0.58	72%	0.721	S	S	*	*			trans	-65.3	160.5	171.9	-141.4	0	0	0	0	111.6
283	E	31.1	Very low	27.9	Very low	99 Å²	99	127.7 Å²	127.7	46%	0.463	73%	0.725	S	S	.	*				-160	141.7	65	-102.3	-143.2	107.4	0	0	115.9	R444	E283-R444 HydrophobicContact CG-CB 4.05Å; E283-R444 VanDerWaalsContact OE1-CB 3.31Å; E283-R444 WeakPolarHBondContact OE1-CB 3.08Å; E283-R444 WeakPolarHBondContact OE1-CD 3.13Å
284	R	32.6	Very low	28	Very low	160 Å²	160	128.2 Å²	128.2	60%	0.604	73%	0.728	S	S	*	*			trans	71	154	135.1	-149.5	164.8	-147.4	-146.1	8.9	120.9	N446	R284-N446 PolarHBondContact NE-ND2 3Å; R284-N446 PolarHBondContact NH2-OD1 2.9Å
285	S	29.8	Very low	28.1	Very low	77 Å²	77	125.8 Å²	125.8	54%	0.538	72%	0.718	S	S	.	*			trans	-135.5	154.7	-169.9	56.4	0	0	0	0	113.2	R451	S285-R451 PolarHBondContact O-NH2 2.86Å
286	T	27.5	Very low	28.3	Very low	110 Å²	110	129.1 Å²	129.1	68%	0.675	72%	0.717	S	S	*	*			trans	-170.3	146.6	141.5	20.9	0	0	0	0	112.7
287	S	23.6	Very low	28.4	Very low	109 Å²	109	120.6 Å²	120.6	76%	0.762	70%	0.701	S	S	*	*			trans	61.8	159.2	156.6	55.7	0	0	0	0	118.7
288	S	26.3	Very low	28.5	Very low	102 Å²	102	120 Å²	120	71%	0.713	71%	0.708	S	S	*	*			cis	-168.8	173.2	-25.8	-92	0	0	0	0	108.2
289	L	26.7	Very low	28.5	Very low	156 Å²	156	119.8 Å²	119.8	82%	0.817	71%	0.706	S	S	*	*			trans	64.9	110.7	154.5	-75	165.5	0	0	0	119.7
290	S	24.3	Very low	28.6	Very low	93 Å²	93	121.5 Å²	121.5	65%	0.65	71%	0.712	S	S	*	*				52.1	140.5	123.4	72.5	0	0	0	0	123.5
291	S	27.1	Very low	28.8	Very low	113 Å²	113	121.4 Å²	121.4	79%	0.79	71%	0.705	S	S	*	*			trans	83.4	108.5	139.6	-64.3	0	0	0	0	121.4
292	A	25.1	Very low	28.6	Very low	91 Å²	91	124.8 Å²	124.8	75%	0.752	71%	0.711	S	S	*	*				60.8	93.4	121	0	0	0	0	0	121
293	R	26.4	Very low	28.2	Very low	209 Å²	209	125.7 Å²	125.7	79%	0.789	72%	0.718	S	S	*	*				-166.3	135.4	120.8	-106.3	166.1	-178.2	-148.3	1.2	108.5
294	Q	31	Very low	27.9	Very low	180 Å²	180	126.4 Å²	126.4	84%	0.841	73%	0.732	S	S	*	*			cis	62.4	145.1	42.8	-80.7	-160.4	-5.7	0	0	115.7
295	R	29.6	Very low	27.7	Very low	186 Å²	186	125.3 Å²	125.3	70%	0.702	74%	0.743	S	S	*	*			trans	99	138.1	175.1	-62.3	-170	157.5	-137.1	-9.4	114.6
296	L	31.3	Very low	27.7	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	75%	0.751	S	S	*	*			cis	-153.5	163.6	-9.1	-102.3	159.6	0	0	0	107.2
297	G	27.1	Very low	28.1	Very low	51 Å²	51	131.2 Å²	131.2	53%	0.526	76%	0.757	S	S	.	*			cis	-177.6	-168.9	-1.1	0	0	0	0	0	112.5
298	S	31	Very low	28.6	Very low	116 Å²	116	135.5 Å²	135.5	81%	0.811	76%	0.756	S	S	*	*			trans	57.6	140.7	139.2	56.3	0	0	0	0	121.8
299	D	26.6	Very low	28.6	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	77%	0.767	S	S	*	*			cis	-170.1	139.7	-13.5	-166.5	-26.1	0	0	0	108.2
300	V	32.5	Very low	28.7	Very low	147 Å²	147	135 Å²	135	89%	0.891	76%	0.761	S	S	*	*			trans	-150.6	135.5	154.7	-170.8	0	0	0	0	108
301	S	29.1	Very low	28.9	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	77%	0.771	S	S	*	*			trans	-103.6	179.4	-163.5	-36.1	0	0	0	0	115.8
302	D	26.1	Very low	28.9	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	77%	0.765	S	S	*	*			trans	-49.3	148.4	178.4	-84.7	-79.1	0	0	0	117.3
303	S	26.9	Very low	29.1	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	77%	0.771	S	S	*	*				160.8	144.8	98.7	54.7	0	0	0	0	114
304	C	25.1	Very low	29.3	Very low	114 Å²	114	136.4 Å²	136.4	77%	0.77	77%	0.772	S	S	*	*				173.6	113	117.4	-91.4	0	0	0	0	115
305	V	28	Very low	29.1	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	78%	0.775	S	S	*	*				41.2	117.1	128.5	-172.7	0	0	0	0	120.2
306	R	29.9	Very low	28.9	Very low	190 Å²	190	130.4 Å²	130.4	72%	0.717	78%	0.777	S	S	*	*			trans	-66.9	156.9	162	-163.2	-162.6	-155.4	163.7	11.2	111.9
307	P	36.8	Very low	28.7	Very low	122 Å²	122	132.3 Å²	132.3	79%	0.792	78%	0.784	S	S	*	*				-129.5	157.1	124.5	36.2	-30	0	0	0	114.5
308	R	33.5	Very low	28.7	Very low	199 Å²	199	133.4 Å²	133.4	75%	0.751	80%	0.795	S	S	*	*			trans	-96.9	145.3	162.5	-86.9	179.8	159.1	-169.7	-4.5	108.3
309	L	26.9	Very low	28.5	Very low	178 Å²	178	132.9 Å²	132.9	93%	0.932	80%	0.798	S	S	*	*			trans	175.2	146.8	139	-92.7	159.3	0	0	0	106.5
310	G	27.6	Very low	28.5	Very low	68 Å²	68	132 Å²	132	70%	0.701	80%	0.802	S	S	*	*			cis	131	69.1	-2.4	0	0	0	0	0	112.5
311	S	28.4	Very low	28.5	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	80%	0.796	S	S	*	*			trans	-156.6	152.2	167.2	-170.9	0	0	0	0	110.5
312	G	28.6	Very low	28.5	Very low	65 Å²	65	137.1 Å²	137.1	67%	0.67	80%	0.804	S	S	*	*			trans	-154.7	148.3	168.9	0	0	0	0	0	108.8
313	N	28.2	Very low	28.7	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	80%	0.804	S	S	*	*			trans	-130.6	156.5	175	-90.7	-11.3	0	0	0	110.1
314	K	31.3	Very low	28.7	Very low	186 Å²	186	141.4 Å²	141.4	81%	0.809	80%	0.798	S	S	*	*			trans	-111.2	-177.2	172.3	-83.7	-173.8	171.7	-176.6	0	110
315	D	26.5	Very low	29.1	Very low	168 Å²	168	142.8 Å²	142.8	90%	0.898	80%	0.795	S	S	*	*			trans	70.2	147.6	174.4	-40.5	-39.7	0	0	0	112
316	G	25.8	Very low	29	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	79%	0.785	S	S	*	*			cis	163.3	163.6	5.6	0	0	0	0	0	105.4
317	M	25.7	Very low	29.1	Very low	188 Å²	188	137 Å²	137	93%	0.926	79%	0.786	S	S	*	*			cis	-165.1	142.5	3.9	179.8	79.1	82.1	0	0	108
318	G	27.3	Very low	28.7	Very low	74 Å²	74	137.5 Å²	137.5	76%	0.763	79%	0.787	S	S	*	*			trans	78.3	168.5	163.7	0	0	0	0	0	118
319	A	28.1	Very low	28.5	Very low	105 Å²	105	133.5 Å²	133.5	87%	0.868	78%	0.784	S	S	*	*			cis	-148.8	146.1	-6	0	0	0	0	0	114.4
320	S	27.2	Very low	28.6	Very low	113 Å²	113	130 Å²	130	79%	0.79	78%	0.775	S	S	*	*			trans	-59.2	164.9	-178	-44.4	0	0	0	0	118.7
321	T	31.3	Very low	28.6	Very low	124 Å²	124	134.1 Å²	134.1	76%	0.761	78%	0.781	S	S	*	*				-155.2	118.3	128	11	0	0	0	0	113.9
322	R	30.2	Very low	28.7	Very low	233 Å²	233	135.1 Å²	135.1	88%	0.879	78%	0.776	S	S	*	*			trans	47.1	142.4	143	-58.3	169.5	-178.2	-177.2	-0.6	118.6
323	K	28.6	Very low	28.5	Very low	194 Å²	194	136.5 Å²	136.5	84%	0.843	78%	0.775	S	S	*	*			cis	-169.6	160.3	16.2	-131.9	-168.2	177.6	-174.7	0	105.2
324	R	27.8	Very low	28.4	Very low	154 Å²	154	136.9 Å²	136.9	58%	0.581	77%	0.774	S	S	*	*			cis	-155.3	139.5	-18.1	-131.1	-148	127	-119.9	-6	103.6	D326	R324-D326 IonicContact CZ-OD1 3.42Å; R324-D326 IonicContact CZ-OD2 2.7Å; R324-D326 IonicContact NH1-OD2 3.95Å; R324-D326 PolarHBondContact NH1-OD2 3.11Å; R324-D326 VanDerWaalsContact NH2-CG 3.26Å; R324-D326 IonicContact NH2-OD1 2.75Å; R324-D326 PolarHBondContact NH2-OD1 3.48Å; R324-D326 IonicContact NH2-OD2 2.63Å; R324-D326 PolarHBondContact NH2-OD2 3.35Å
325	M	33.5	Very low	28	Very low	144 Å²	144	133.9 Å²	133.9	71%	0.709	78%	0.776	S	S	*	*				50.2	138.5	95	-73.9	172.4	141.3	0	0	117.1
326	D	25.2	Very low	28.5	Very low	115 Å²	115	133.7 Å²	133.7	62%	0.615	77%	0.774	S	S	*	*			cis	-132.7	169.2	14.7	-73.4	-60	0	0	0	114.1	R324	R324-D326 IonicContact CZ-OD1 3.42Å; R324-D326 IonicContact CZ-OD2 2.7Å; R324-D326 IonicContact NH1-OD2 3.95Å; R324-D326 PolarHBondContact NH1-OD2 3.11Å; R324-D326 VanDerWaalsContact NH2-CG 3.26Å; R324-D326 IonicContact NH2-OD1 2.75Å; R324-D326 PolarHBondContact NH2-OD1 3.48Å; R324-D326 IonicContact NH2-OD2 2.63Å; R324-D326 PolarHBondContact NH2-OD2 3.35Å
327	A	32.8	Very low	28.7	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	78%	0.778	S	S	*	*			trans	-142.7	146.8	165.3	0	0	0	0	0	110.6
328	V	27.3	Very low	28.7	Very low	133 Å²	133	132 Å²	132	81%	0.806	77%	0.766	S	S	*	*			trans	-143.9	97.6	178.5	176.6	0	0	0	0	106
329	T	29.6	Very low	28.7	Very low	114 Å²	114	136.6 Å²	136.6	70%	0.699	77%	0.768	S	S	*	*				76.1	116.8	69.1	66.2	0	0	0	0	115.9
330	S	29.8	Very low	28.6	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	76%	0.764	S	S	*	*			trans	91	96.7	139.7	-61.9	0	0	0	0	122.4
331	D	28.1	Very low	28.6	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	77%	0.766	S	S	*	*				83.7	167.7	105.9	-124.9	-39.3	0	0	0	122.5
332	L	29.8	Very low	28.4	Very low	144 Å²	144	139 Å²	139	75%	0.754	76%	0.758	S	S	*	*			trans	84.6	100.1	164.5	-68	170.5	0	0	0	121.6
333	S	25.4	Very low	28.7	Very low	94 Å²	94	133.9 Å²	133.9	66%	0.657	76%	0.755	S	S	*	*				63.1	132.7	122.1	71.1	0	0	0	0	123.8
334	M	25.3	Very low	28.8	Very low	170 Å²	170	130.2 Å²	130.2	84%	0.837	75%	0.749	S	S	*	*			trans	51.4	112	138.1	-64	-73.4	100.4	0	0	119.8
335	S	23.6	Very low	29.1	Very low	123 Å²	123	131 Å²	131	86%	0.86	76%	0.759	S	S	*	*				-177.5	158.9	122.8	-80.8	0	0	0	0	113.4
336	L	35.7	Very low	29	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	76%	0.761	S	S	*	*			trans	-73.9	169.4	163.4	-64.6	167.7	0	0	0	110.7
337	P	30.3	Very low	29.4	Very low	127 Å²	127	131.4 Å²	131.4	83%	0.825	77%	0.768	S	S	*	*			trans	-133.9	160.8	134.3	38.1	-29.3	0	0	0	115
338	S	25.3	Very low	29.1	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	77%	0.772	S	S	*	*			trans	-133.4	172	170.3	-147.9	0	0	0	0	106.7
339	E	28	Very low	29.3	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	78%	0.775	S	S	*	*			cis	-152	-119.7	14.4	-162.2	142.9	101.6	0	0	109.9
340	V	26.3	Very low	30.2	Very low	129 Å²	129	140 Å²	140	78%	0.782	78%	0.776	S	S	*	*			trans	73.2	117.6	169	-179	0	0	0	0	114.4
341	K	27.1	Very low	30.2	Very low	192 Å²	192	141 Å²	141	84%	0.835	78%	0.777	S	S	*	*			cis	-167.6	162.8	-8.1	-111	-142.8	165.8	-167	0	107.1
342	A	26.6	Very low	30.2	Very low	73 Å²	73	139.4 Å²	139.4	60%	0.603	78%	0.778	S	S	*	*			cis	-171.2	151.8	-26.7	0	0	0	0	0	109.3
343	P	36.5	Very low	30.1	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	78%	0.782	S	S	*	*			trans	-100.5	164.6	168.8	38.4	-31.8	0	0	0	112.9
344	T	30.3	Very low	30.5	Very low	116 Å²	116	137.7 Å²	137.7	71%	0.712	79%	0.791	S	S	*	*			trans	-153.5	167	172.4	34.5	0	0	0	0	110.5
345	E	33.5	Very low	30.7	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.794	79%	0.79	S	S	*	*			trans	69	89.2	-170	-38.4	-63.7	112.4	0	0	110.9
346	D	31.9	Very low	30.8	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	78%	0.784	S	S	*	*			cis	64.4	136.6	44	-68.8	-58.8	0	0	0	114.6
347	V	33.3	Very low	30.4	Very low	129 Å²	129	132 Å²	132	78%	0.782	78%	0.775	S	S	*	*			cis	-106.9	-129.7	5.6	-146.3	0	0	0	0	111.5
348	E	28.2	Very low	30.4	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	77%	0.772	S	S	*	*			cis	-152.1	159.8	-1.4	-164.3	167.2	-104.5	0	0	111.2
349	R	30.7	Very low	30.5	Very low	233 Å²	233	134.3 Å²	134.3	88%	0.879	78%	0.778	S	S	*	*			trans	-155.7	175.5	173.5	-59	-173.6	175.4	166.1	-1.5	108.2
350	P	47.9	Very low	31.3	Very low	110 Å²	110	131 Å²	131	71%	0.714	77%	0.773	S	S	*	*			cis	-147.5	-173.5	10.6	39.9	-16.9	0	0	0	118.3
351	V	31	Very low	31.5	Very low	127 Å²	127	133.4 Å²	133.4	77%	0.77	78%	0.776	S	S	*	*			trans	84.7	127.6	136.9	143.8	0	0	0	0	123
352	S	27.5	Very low	31.7	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	77%	0.772	S	S	*	*			trans	57.2	139	149.6	-64.5	0	0	0	0	124.3
353	G	28.2	Very low	31.7	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	78%	0.779	S	S	*	*			trans	169.7	111.6	158.6	0	0	0	0	0	112.8
354	S	33.3	Very low	31.3	Very low	121 Å²	121	133.3 Å²	133.3	85%	0.846	78%	0.775	S	S	*	*			trans	-150.9	111.8	174.4	-178.1	0	0	0	0	111.7
355	V	29.1	Very low	31.2	Very low	133 Å²	133	132.7 Å²	132.7	81%	0.806	78%	0.776	S	S	*	*			trans	-175.5	152.1	173.2	-89.8	0	0	0	0	106.1
356	C	26	Very low	31.8	Very low	108 Å²	108	131 Å²	131	73%	0.73	78%	0.779	S	S	*	*			cis	-161.4	167.8	-3.6	-120.1	0	0	0	0	110.1
357	S	26.7	Very low	31.9	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	78%	0.781	S	S	*	*			trans	67.2	140.7	156.2	-65.9	0	0	0	0	118.6
358	T	30.7	Very low	32	Very low	125 Å²	125	127.8 Å²	127.8	77%	0.767	78%	0.779	S	S	*	*			cis	70.7	139.9	39.6	76.1	0	0	0	0	113.3
359	D	27.1	Very low	32.1	Very low	148 Å²	148	126.4 Å²	126.4	79%	0.791	78%	0.776	S	S	*	*			cis	-148.7	-163.2	6.5	-147.1	-29.7	0	0	0	112
360	S	44.4	Very low	32.1	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	77%	0.769	S	S	*	*			trans	-96.3	-172.4	-178.9	-51.3	0	0	0	0	114.2
361	E	30.9	Very low	31.2	Very low	181 Å²	181	122.6 Å²	122.6	85%	0.846	77%	0.766	S	S	*	*			trans	107.8	139.1	150.2	-53.6	-151.9	119	0	0	121.3
362	S	30.9	Very low	31	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	77%	0.766	S	S	*	*			trans	87.6	125.6	141.5	72	0	0	0	0	123.7
363	E	28.1	Very low	31	Very low	163 Å²	163	122 Å²	122	76%	0.762	75%	0.749	S	S	*	*				71.4	109	127.9	-67.2	-64.4	109	0	0	124.6
364	T	27.3	Very low	31	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	74%	0.742	S	S	*	*				83.3	145.4	115.9	-66.1	0	0	0	0	123
365	S	28.1	Very low	30.8	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	74%	0.738	S	S	*	*			trans	-82.8	177	-173.9	-40.9	0	0	0	0	115.1
366	P	46	Very low	30.7	Very low	133 Å²	133	126.5 Å²	126.5	86%	0.864	74%	0.735	S	S	*	*				-141.3	-177.9	109.4	38.5	-25.5	0	0	0	115.6
367	A	33.8	Very low	30.8	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	74%	0.739	S	S	*	*			trans	-101.1	-164.6	-174.3	0	0	0	0	0	112
368	S	35.3	Very low	30.7	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	74%	0.743	S	S	*	*			cis	-171.4	-173.8	27.5	-160.3	0	0	0	0	113.6
369	I	31.7	Very low	30.6	Very low	144 Å²	144	134.5 Å²	134.5	74%	0.738	74%	0.744	S	S	*	*			trans	76.3	125.7	165.3	-64.6	168.6	0	0	0	115.2
370	Q	30.5	Very low	30.5	Very low	158 Å²	158	133.4 Å²	133.4	74%	0.738	74%	0.739	S	S	*	*			cis	-163	177.6	-9.3	-105.2	-174.8	-64.6	0	0	105.1
371	T	28.2	Very low	29.6	Very low	106 Å²	106	136.5 Å²	136.5	65%	0.65	74%	0.742	S	S	*	*			cis	-171.2	170.1	2.9	14	0	0	0	0	105.6
372	E	27.5	Very low	29.4	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	73%	0.731	S	S	*	*			cis	-168	178	-21	-130.3	-170.6	99.7	0	0	105.7
373	S	27.6	Very low	29.4	Very low	70 Å²	70	136.1 Å²	136.1	49%	0.49	73%	0.732	S	S	.	*			cis	-162.6	166.1	-5.5	-150.3	0	0	0	0	109.4
374	N	26.8	Very low	30.6	Very low	129 Å²	129	133.1 Å²	133.1	69%	0.69	73%	0.727	S	S	*	*			trans	61.1	157	164.5	-63	-32.3	0	0	0	118.3
375	Q	29.1	Very low	30.8	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	73%	0.732	S	S	*	*			cis	-157.1	131.7	-20.6	-108.6	168.8	-1.3	0	0	106
376	D	28.2	Very low	31	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	73%	0.726	S	S	*	*				86	179	90.2	-150.4	-3.7	0	0	0	114.4
377	R	27.7	Very low	30.3	Very low	217 Å²	217	131.2 Å²	131.2	82%	0.819	73%	0.725	S	S	*	*			trans	-98.8	170.2	-152.6	-63.1	150.9	149	177.9	-6.6	117
378	S	24.7	Very low	30	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	72%	0.724	S	S	*	*			trans	91.2	148.5	131.1	69.7	0	0	0	0	122.3
379	H	28.1	Very low	29.6	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.796	73%	0.725	S	S	*	*			trans	55.8	142.9	166	-76.2	-38.6	0	0	0	119.6
380	D	24.9	Very low	29.3	Very low	126 Å²	126	132.2 Å²	132.2	67%	0.674	72%	0.722	S	S	*	*			cis	95.6	149.9	28.9	-156.7	-9.1	0	0	0	113
381	Q	25.6	Very low	29	Very low	164 Å²	164	133.9 Å²	133.9	77%	0.766	72%	0.721	S	S	*	*			trans	64.1	148.7	-174.8	-70.1	161.1	10.1	0	0	116
382	D	28.3	Very low	29	Very low	115 Å²	115	137.9 Å²	137.9	62%	0.615	72%	0.724	S	S	*	*			cis	-138.3	163	-9.4	-101.2	-45.9	0	0	0	107.3
383	Q	29.8	Very low	29.6	Very low	164 Å²	164	137.6 Å²	137.6	77%	0.766	73%	0.728	S	S	*	*				62.3	156	53.7	-119.4	-160.6	141.3	0	0	114.3
384	P	54.4	Low	30.1	Very low	100 Å²	100	140.3 Å²	140.3	65%	0.649	74%	0.744	S	S	*	*			cis	-101.2	-165.3	-23.4	33.3	-14.1	0	0	0	109.6
385	D	31.3	Very low	30.2	Very low	154 Å²	154	138 Å²	138	82%	0.824	74%	0.743	S	S	*	*			cis	-143.2	167.2	31.3	-81.9	-50.5	0	0	0	110
386	G	31.6	Very low	30.2	Very low	60 Å²	60	138.5 Å²	138.5	62%	0.619	75%	0.751	S	S	*	*			cis	122.6	94.9	11.2	0	0	0	0	0	111.2
387	A	31	Very low	30.1	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	75%	0.747	S	S	*	*			trans	69.7	163.9	154.4	0	0	0	0	0	116.9
388	V	28.1	Very low	30	Very low	124 Å²	124	132.9 Å²	132.9	75%	0.752	75%	0.751	S	S	*	*			cis	-157.9	148	-17.9	111.2	0	0	0	0	111.1
389	L	25.6	Very low	30	Very low	147 Å²	147	135 Å²	135	77%	0.77	75%	0.754	S	S	*	*			trans	35.3	129	155.8	-59.6	172	0	0	0	122.9
390	S	25.4	Very low	30	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	75%	0.754	S	S	*	*				82.1	135.5	124.1	-73.7	0	0	0	0	123.3
391	R	25.6	Very low	30.1	Very low	192 Å²	192	131.1 Å²	131.1	73%	0.725	75%	0.753	S	S	*	*			trans	77.5	142.3	135.1	-87.5	-176.1	175.1	-86.2	5.7	120.6
392	R	28.4	Very low	30.3	Very low	191 Å²	191	131.5 Å²	131.5	72%	0.721	76%	0.755	S	S	*	*			trans	73.2	114	147	-74.5	173.1	-175.5	134.3	-7.1	117.7
393	D	38.4	Very low	30.5	Very low	158 Å²	158	130.5 Å²	130.5	85%	0.845	76%	0.762	S	S	*	*			trans	-50	149.5	138.7	-27.2	-108	0	0	0	111.1
394	P	39.2	Very low	30.6	Very low	128 Å²	128	130.9 Å²	130.9	83%	0.831	76%	0.764	S	S	*	*			trans	-120.6	152.9	138.9	35.2	-28.9	0	0	0	111.8
395	A	29.3	Very low	29.5	Very low	81 Å²	81	129.5 Å²	129.5	67%	0.669	77%	0.768	S	S	*	*			trans	-106.9	172.4	-178.9	0	0	0	0	0	112.2
396	N	27.6	Very low	29.5	Very low	169 Å²	169	130.7 Å²	130.7	90%	0.904	77%	0.766	S	S	*	*			trans	70.7	146.6	162.5	-55.3	-27.6	0	0	0	117.7
397	G	26.2	Very low	29.3	Very low	65 Å²	65	135.2 Å²	135.2	67%	0.67	78%	0.775	S	S	*	*			trans	-157.7	-58.2	174.4	0	0	0	0	0	118.6
398	L	25.5	Very low	29.1	Very low	174 Å²	174	134.3 Å²	134.3	91%	0.911	76%	0.762	S	S	*	*			trans	62.8	178.4	-174.2	-59.5	169.1	0	0	0	115.7
399	L	26.5	Very low	29	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	77%	0.772	S	S	*	*			trans	75.3	139.5	170.1	-58	175.4	0	0	0	117.4
400	N	26.6	Very low	29.2	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	78%	0.775	S	S	*	*			cis	-165	173.9	-24.2	-152.7	-0.2	0	0	0	110.8
401	G	27.2	Very low	29.3	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	78%	0.78	S	S	*	*			trans	72.8	105	153.3	0	0	0	0	0	117.2
402	H	29.5	Very low	29.4	Very low	173 Å²	173	141.4 Å²	141.4	80%	0.801	78%	0.778	S	S	*	*			cis	79.7	96.6	29.3	-168.1	72.1	0	0	0	116.9
403	A	34.2	Very low	29.4	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	78%	0.783	S	S	*	*			trans	-174.4	157.8	146.5	0	0	0	0	0	110.3
404	Q	30.8	Very low	28.9	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	78%	0.779	S	S	*	*			cis	-159.4	156	-36.5	-97.3	-151.4	3	0	0	106.8
405	G	30.5	Very low	28.2	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	77%	0.773	S	S	*	*			trans	-150.1	-20.2	-168.2	0	0	0	0	0	122.2
406	K	31.5	Very low	28.1	Very low	180 Å²	180	140.1 Å²	140.1	78%	0.783	77%	0.772	S	S	*	*			trans	68.3	119	177.8	-61.6	-175.6	179	176.2	0	116.3
407	L	28.4	Very low	27.9	Very low	154 Å²	154	140.1 Å²	140.1	81%	0.806	77%	0.772	S	S	*	*				76.2	147.5	81.7	-66	169.4	0	0	0	114.2
408	S	27.2	Very low	27.8	Very low	82 Å²	82	140.7 Å²	140.7	57%	0.573	78%	0.778	S	S	*	*			cis	165.9	145.6	-41	53.9	0	0	0	0	109.9
409	F	26.4	Very low	27.7	Very low	219 Å²	219	139.8 Å²	139.8	96%	0.961	78%	0.775	S	S	*	*			trans	-149.2	162.5	146.4	-96.9	-67	0	0	0	111.7
410	K	28.8	Very low	27.6	Very low	189 Å²	189	140 Å²	140	82%	0.822	78%	0.775	S	S	*	*			trans	-168.8	140.9	-150.8	166.1	-171.5	177.1	-177.3	0	111.9
411	I	27.7	Very low	27.5	Very low	152 Å²	152	137.1 Å²	137.1	78%	0.779	76%	0.764	S	S	*	*			trans	170.8	145	163.6	-97.5	150	0	0	0	107.1
412	Q	26.6	Very low	27.4	Very low	148 Å²	148	143.3 Å²	143.3	69%	0.692	77%	0.773	S	S	*	*			cis	-147.5	154.6	-17.5	-93.3	168.7	38	0	0	105.7
413	K	29.4	Very low	27.5	Very low	189 Å²	189	138.4 Å²	138.4	82%	0.822	77%	0.769	S	S	*	*				70	143.8	56.4	-159.2	180	178.4	-172.6	0	114.4
414	I	27.4	Very low	27.1	Very low	146 Å²	146	143 Å²	143	75%	0.749	77%	0.774	S	S	*	*			trans	95.8	148.6	-179.8	-56.8	172.1	0	0	0	113.7
415	T	24.8	Very low	26.9	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	77%	0.766	S	S	*	*				-174.9	140.9	-71.8	-87.4	0	0	0	0	112.7
416	A	26.8	Very low	26.7	Very low	79 Å²	79	144 Å²	144	65%	0.653	77%	0.773	S	S	*	*			trans	76	155.2	161.1	0	0	0	0	0	121.6
417	N	23.8	Very low	26.4	Very low	169 Å²	169	141.8 Å²	141.8	90%	0.904	78%	0.775	S	S	*	*			trans	25.2	143.5	148	-52.6	-7.5	0	0	0	122.2
418	G	23.6	Very low	26.3	Very low	77 Å²	77	138.8 Å²	138.8	79%	0.794	77%	0.767	S	S	*	*			trans	152	128.7	141.3	0	0	0	0	0	117.5
419	N	24	Very low	26.2	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	78%	0.777	S	S	*	*			trans	-80.6	150.5	166.1	-64.7	-63.3	0	0	0	111.8
420	L	24.4	Very low	26.2	Very low	158 Å²	158	138.1 Å²	138.1	83%	0.827	77%	0.766	S	S	*	*			trans	-176.1	131.8	142.4	-94.4	141.2	0	0	0	105.9
421	T	25.2	Very low	26.2	Very low	92 Å²	92	133.1 Å²	133.1	56%	0.564	76%	0.76	S	S	*	*			cis	64.2	130.6	31.3	75.7	0	0	0	0	114
422	F	25	Very low	27	Very low	194 Å²	194	131.5 Å²	131.5	85%	0.851	76%	0.76	S	S	*	*			cis	-119.8	-175.3	-4.9	-66	-91.5	0	0	0	109.3
423	G	31.5	Very low	27	Very low	70 Å²	70	131.3 Å²	131.3	72%	0.722	76%	0.759	S	S	*	*			cis	-174.1	-157.5	7.5	0	0	0	0	0	109
424	H	26.1	Very low	27.1	Very low	189 Å²	189	129.5 Å²	129.5	88%	0.875	75%	0.751	S	S	*	*			cis	-152.3	137.4	-4.9	-161.7	76.3	0	0	0	108.7
425	G	25.6	Very low	27.2	Very low	61 Å²	61	131.2 Å²	131.2	63%	0.629	75%	0.753	S	S	*	*			trans	80.5	123.5	-173.5	0	0	0	0	0	112.9
426	K	26.1	Very low	27.2	Very low	202 Å²	202	132.1 Å²	132.1	88%	0.878	75%	0.754	S	S	*	*			cis	65.8	129	45.7	-60.2	-169.9	175.3	-176.1	0	113.7
427	T	24.8	Very low	27.1	Very low	134 Å²	134	134.1 Å²	134.1	82%	0.822	76%	0.757	S	S	*	*			cis	-158.9	145.8	-10.5	8.5	0	0	0	0	109.4
428	S	27.6	Very low	27.2	Very low	92 Å²	92	132 Å²	132	64%	0.643	75%	0.75	S	S	*	*			trans	-97.3	-170.6	164.2	45.2	0	0	0	0	110.9
429	E	24.8	Very low	27.3	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	76%	0.757	S	S	*	*			trans	75.1	155.7	155.7	-66.1	-170.2	114.5	0	0	118.2
430	T	26.8	Very low	27.5	Very low	120 Å²	120	136.3 Å²	136.3	74%	0.736	75%	0.75	S	S	*	*			cis	-154.4	169.4	-1.9	3.5	0	0	0	0	114.3
431	A	28.1	Very low	27.8	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	74%	0.742	S	S	*	*			trans	-69.1	179.3	164.4	0	0	0	0	0	115.3
432	P	44	Very low	27.9	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	75%	0.752	S	S	*	*				-140.5	164.8	119.7	38.3	-26.4	0	0	0	113.2
433	E	27.6	Very low	28.2	Very low	144 Å²	144	133 Å²	133	67%	0.673	74%	0.739	S	S	*	*			cis	-163.6	171.6	-18.1	-111.3	-143.8	125.9	0	0	111.7
434	K	31.6	Very low	28.3	Very low	151 Å²	151	137.6 Å²	137.6	66%	0.657	74%	0.735	S	S	*	*			trans	20.3	125.6	154.9	-55.6	174.3	175.4	104.6	0	121.1
435	K	29.2	Very low	28.8	Very low	182 Å²	182	134.4 Å²	134.4	79%	0.791	73%	0.729	S	S	*	*				172.3	137.6	95.5	-90.3	-167.1	179.7	-175	0	115.9
436	D	24	Very low	29.2	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	72%	0.721	S	S	*	*			trans	64.3	124.5	142.2	-69.4	-53	0	0	0	125.9
437	V	26.4	Very low	30.3	Very low	120 Å²	120	130.6 Å²	130.6	73%	0.727	71%	0.711	S	S	*	*			trans	96.4	111.7	134.8	169	0	0	0	0	122.7
438	T	24.7	Very low	31	Very low	124 Å²	124	130.3 Å²	130.3	76%	0.761	71%	0.709	S	S	*	*			trans	59.7	84.5	154.1	54.3	0	0	0	0	123.1
439	L	26.8	Very low	32	Very low	177 Å²	177	136.3 Å²	136.3	93%	0.927	72%	0.718	S	S	*	*				49.6	148	107	-155.3	137.8	0	0	0	122.9
440	E	28	Very low	32.7	Very low	147 Å²	147	134.6 Å²	134.6	69%	0.687	71%	0.714	S	S	*	*			trans	-91	178.7	-160.9	-129.7	-157.7	139.8	0	0	118.3
441	Q	29.7	Very low	33.9	Very low	141 Å²	141	135.3 Å²	135.3	66%	0.659	70%	0.703	S	S	*	*			trans	64.6	125.9	150.9	-72	173.5	35.6	0	0	121.8
442	L	27.7	Very low	34.5	Very low	151 Å²	151	140 Å²	140	79%	0.791	71%	0.712	S	S	*	*				-168.9	170.3	98.9	-104.6	168.3	0	0	0	114.4
443	S	32	Very low	34.6	Very low	82 Å²	82	144.7 Å²	144.7	57%	0.573	72%	0.715	S	S	*	*			trans	-95.8	160.3	-173.6	61.7	0	0	0	0	113.8
444	R	32.7	Very low	34.9	Very low	167 Å²	167	146 Å²	146	63%	0.63	72%	0.719	S	S	*	*				179.9	155.1	123.1	-100.3	159.4	-177.2	-170.2	0.3	118	E283	E283-R444 HydrophobicContact CG-CB 4.05Å; E283-R444 VanDerWaalsContact OE1-CB 3.31Å; E283-R444 WeakPolarHBondContact OE1-CB 3.08Å; E283-R444 WeakPolarHBondContact OE1-CD 3.13Å
445	T	36.4	Very low	34.7	Very low	122 Å²	122	149 Å²	149	75%	0.748	73%	0.732	S	S	*	*			trans	-85.4	162.9	171.9	54.4	0	0	0	0	112
446	N	34.5	Very low	34.9	Very low	87 Å²	87	145.5 Å²	145.5	47%	0.465	73%	0.726	S	S	.	*			trans	-158.5	121.5	144.1	-82.7	-74.8	0	0	0	109.1	R284	R284-N446 PolarHBondContact NE-ND2 3Å; R284-N446 PolarHBondContact NH2-OD1 2.9Å
447	S	49.3	Very low	35	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	74%	0.735	S	S	*	*			trans	-120.4	146	168.2	-178.3	0	0	0	0	109.5	R449	S447-R449 PolarHBondContact O-N 3.27Å; S447-R449 VanDerWaalsContact O-N 3.11Å
448	V	38.9	Very low	35.1	Very low	129 Å²	129	147.4 Å²	147.4	78%	0.782	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-63.3	-24.5	-165.6	-179.3	0	0	0	0	113.3	D450 R451	V448-D450 PolarHBondContact O-N 2.88Å; V448-R451 PolarHBondContact O-N 3.47Å
449	R	49.1	Very low	35.3	Very low	218 Å²	218	146.3 Å²	146.3	82%	0.823	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-62.7	-30.6	-169.4	-172.6	170.2	-75.6	173.9	-4.1	115.1	S447	S447-R449 PolarHBondContact O-N 3.27Å; S447-R449 VanDerWaalsContact O-N 3.11Å
450	D	40.1	Very low	35.4	Very low	130 Å²	130	146.3 Å²	146.3	70%	0.695	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-82.4	-22.8	-176.9	-72.4	-39.1	0	0	0	114.2	V448 M452 R453	V448-D450 PolarHBondContact O-N 2.88Å; D450-M452 PolarHBondContact O-N 3.23Å; D450-R453 PolarHBondContact O-N 2.9Å
451	R	51.9	Low	35.3	Very low	134 Å²	134	146.8 Å²	146.8	51%	0.506	74%	0.739	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-20	-178.6	-88.8	-178.5	171.3	157.6	-6.1	113.8	S285 V448	S285-R451 PolarHBondContact O-NH2 2.86Å; V448-R451 PolarHBondContact O-N 3.47Å
452	M	40.8	Very low	36.5	Very low	183 Å²	183	145.5 Å²	145.5	90%	0.901	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	3.4	-178.1	-110.9	179.3	173.7	0	0	114.9	D450	D450-M452 PolarHBondContact O-N 3.23Å
453	R	45.2	Very low	37.6	Very low	218 Å²	218	143.4 Å²	143.4	82%	0.823	74%	0.738	S	S	*	*	S	Bend	trans	-123.8	44.1	178.9	-65.6	-153.4	-63	-174.8	-0.1	115.1	D450	D450-R453 PolarHBondContact O-N 2.9Å
454	K	33.8	Very low	37.5	Very low	172 Å²	172	143.7 Å²	143.7	75%	0.748	75%	0.746	S	S	*	*			trans	-162.4	101.3	151.5	-120	162	-177.8	177	0	113.7
455	F	27.8	Very low	37.4	Very low	214 Å²	214	142.4 Å²	142.4	94%	0.939	75%	0.751	S	S	*	*			trans	-136.7	36	159.7	-101.9	-71.7	0	0	0	111.9
456	T	32.7	Very low	37.1	Very low	108 Å²	108	145.2 Å²	145.2	66%	0.663	75%	0.752	S	S	*	*			trans	-143.9	135.9	159.1	48.1	0	0	0	0	104.6
457	E	27.3	Very low	36.8	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	77%	0.773	S	S	*	*			cis	-146.7	-175.1	11.2	-150.6	168.2	137.6	0	0	109.4
458	A	28.5	Very low	35.9	Very low	97 Å²	97	152.6 Å²	152.6	80%	0.802	78%	0.779	S	S	*	*			trans	-99.4	163.5	-166.4	0	0	0	0	0	115.9
459	S	28.2	Very low	36.4	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	77%	0.774	S	S	*	*				-179.5	126.7	122	-159.1	0	0	0	0	116
460	Q	29.7	Very low	35.5	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	77%	0.773	S	S	*	*			trans	27.5	117.5	139.2	-52.6	176.6	4.1	0	0	123.8
461	N	26.3	Very low	34.9	Very low	157 Å²	157	153.6 Å²	153.6	84%	0.84	78%	0.784	S	S	*	*				33.4	161.8	119.5	-81	-11.1	0	0	0	123.7
462	P	54.8	Low	33.9	Very low	114 Å²	114	154.3 Å²	154.3	74%	0.74	80%	0.797	S	S	*	*			cis	-126.2	-118.2	-7.9	34.6	-11.9	0	0	0	111.9
463	P	50.8	Low	33.4	Very low	107 Å²	107	148.8 Å²	148.8	70%	0.695	79%	0.787	S	S	*	*				-129	165.6	-50.7	36.7	-19.7	0	0	0	117.2
464	A	29	Very low	32.8	Very low	88 Å²	88	144.7 Å²	144.7	73%	0.727	79%	0.787	S	S	*	*			trans	56.9	155.5	140.1	0	0	0	0	0	123.8
465	L	30.8	Very low	32.7	Very low	140 Å²	140	142.4 Å²	142.4	73%	0.733	79%	0.787	S	S	*	*			cis	-166.4	141.6	-18.3	-102.6	172.1	0	0	0	112
466	K	29.9	Very low	32.8	Very low	181 Å²	181	137.9 Å²	137.9	79%	0.787	78%	0.782	S	S	*	*			trans	42.6	133.7	148.4	-67.9	170.3	-176.4	172.7	0	123.1
467	K	29.1	Very low	32.6	Very low	204 Å²	204	136.4 Å²	136.4	89%	0.887	79%	0.788	S	S	*	*				-173.8	150.3	111.3	-100.5	163.1	-174.2	176.9	0	115.1
468	T	30	Very low	32.9	Very low	133 Å²	133	134.9 Å²	134.9	82%	0.816	79%	0.786	S	S	*	*			trans	-119.7	-165.6	168.5	52.9	0	0	0	0	107.4
469	P	49.7	Very low	33	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	78%	0.781	S	S	*	*			cis	-151.9	-164	16.7	40.9	-15.3	0	0	0	118.7
470	L	28.7	Very low	33.1	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	78%	0.781	S	S	*	*			trans	78.8	152.3	163.8	-60.6	167.8	0	0	0	117.1
471	R	28.2	Very low	33.1	Very low	241 Å²	241	135.6 Å²	135.6	91%	0.909	78%	0.777	S	S	*	*			cis	-146.8	157.7	28.6	179.5	178	176.2	175.2	-0.4	114.2
472	N	31.2	Very low	33.4	Very low	149 Å²	149	133 Å²	133	80%	0.797	77%	0.771	S	S	*	*			trans	-73	167.8	-176.6	-48.6	-8.3	0	0	0	114.2
473	G	29.5	Very low	32.3	Very low	67 Å²	67	138.1 Å²	138.1	69%	0.691	78%	0.776	S	S	*	*			cis	-156.8	-136.2	4.3	0	0	0	0	0	109.7
474	T	32.3	Very low	31.4	Very low	133 Å²	133	137.2 Å²	137.2	82%	0.816	78%	0.777	S	S	*	*			cis	-176.2	169.4	-6.2	-13.9	0	0	0	0	106.6
475	V	32.4	Very low	31.4	Very low	123 Å²	123	137.5 Å²	137.5	75%	0.745	78%	0.78	S	S	*	*			cis	-151.4	177.2	5.1	-144.1	0	0	0	0	109.8
476	S	30.4	Very low	31.4	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	78%	0.784	S	S	*	*			trans	28.3	128	150.8	-58.3	0	0	0	0	124.1
477	G	28.9	Very low	31.4	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	78%	0.782	S	S	*	*			trans	-169.9	7.4	174.2	0	0	0	0	0	122.9
478	L	31.8	Very low	31.3	Very low	167 Å²	167	136.4 Å²	136.4	87%	0.874	78%	0.778	S	S	*	*			trans	71.2	144.3	168.8	-69.1	171.7	0	0	0	123
479	T	31.3	Very low	31.4	Very low	114 Å²	114	134.7 Å²	134.7	70%	0.699	78%	0.777	S	S	*	*			trans	69.7	98.1	152.5	44.7	0	0	0	0	123.8
480	N	30.3	Very low	30.6	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	79%	0.788	S	S	*	*				63.1	104.4	124	-59.9	-7.4	0	0	0	120.9
481	L	29.8	Very low	30.5	Very low	144 Å²	144	136.8 Å²	136.8	75%	0.754	79%	0.793	S	S	*	*				90.3	113.3	85.3	-77.6	167.8	0	0	0	112
482	S	32.1	Very low	30.6	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	79%	0.791	S	S	*	*				90.1	145.1	57.2	-80.2	0	0	0	0	114
483	R	32.8	Very low	30.5	Very low	223 Å²	223	129 Å²	129	84%	0.842	79%	0.793	S	S	*	*			cis	-178.3	164.5	-12.2	-166.3	-167.3	-168.4	158.9	3.6	108.9
484	A	30.4	Very low	30.6	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	80%	0.798	S	S	*	*			trans	67.2	170.4	145.6	0	0	0	0	0	118.4
485	A	30.2	Very low	31.3	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	80%	0.798	S	S	*	*			cis	-166.8	174.1	-35.5	0	0	0	0	0	109.1
486	E	30.2	Very low	31.1	Very low	177 Å²	177	128 Å²	128	83%	0.827	79%	0.793	S	S	*	*			trans	-70.6	161	174	-55.2	166.5	124.8	0	0	112.8
487	L	30.1	Very low	31.1	Very low	143 Å²	143	128.9 Å²	128.9	75%	0.749	79%	0.794	S	S	*	*				166.9	160.3	113.8	-88.7	171.2	0	0	0	115.8
488	F	28.1	Very low	31.2	Very low	181 Å²	181	130.7 Å²	130.7	79%	0.794	79%	0.794	S	S	*	*			trans	71.4	106.5	153.2	-81.1	-64.2	0	0	0	124.3
489	A	30.3	Very low	31.1	Very low	97 Å²	97	126.4 Å²	126.4	80%	0.802	79%	0.791	S	S	*	*				70.2	169.3	122.9	0	0	0	0	0	123.1
490	Q	33.7	Very low	31	Very low	193 Å²	193	129.1 Å²	129.1	90%	0.902	80%	0.801	S	S	*	*			trans	-102.8	148.9	-164.2	-58.1	169.7	-7.5	0	0	113
491	A	26.1	Very low	31	Very low	109 Å²	109	126.7 Å²	126.7	90%	0.901	80%	0.799	S	S	*	*			trans	-155.4	157.2	152.7	0	0	0	0	0	109.7
492	S	31.5	Very low	32.4	Very low	124 Å²	124	125.6 Å²	125.6	87%	0.867	80%	0.801	S	S	*	*			trans	-120.7	137	-173.4	51.6	0	0	0	0	113.1
493	A	28.5	Very low	32.3	Very low	101 Å²	101	125.9 Å²	125.9	84%	0.835	81%	0.809	S	S	*	*			trans	-157.5	150	165.1	0	0	0	0	0	112.7
494	S	31	Very low	32.4	Very low	116 Å²	116	125 Å²	125	81%	0.811	81%	0.805	S	S	*	*			trans	-124.6	176.9	161.2	-72.2	0	0	0	0	106.4
495	P	47.5	Very low	33.6	Very low	124 Å²	124	126.6 Å²	126.6	81%	0.805	81%	0.809	S	S	*	*			cis	-145.7	177.5	15.9	43.8	-24.9	0	0	0	118
496	G	29	Very low	33.8	Very low	63 Å²	63	132 Å²	132	65%	0.649	81%	0.809	S	S	*	*				94.5	146.4	123.3	0	0	0	0	0	122.3
497	T	29.6	Very low	33.9	Very low	137 Å²	137	129.1 Å²	129.1	84%	0.84	80%	0.803	S	S	*	*			trans	63.9	118	158.2	57.4	0	0	0	0	118
498	S	30.3	Very low	34	Very low	116 Å²	116	125 Å²	125	81%	0.811	80%	0.796	S	S	*	*				70.4	127.8	62.8	74.6	0	0	0	0	114.8
499	G	29.8	Very low	34.3	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	80%	0.8	S	S	*	*			cis	176.8	-140.7	3.1	0	0	0	0	0	112.7
500	D	29	Very low	34.4	Very low	171 Å²	171	123.6 Å²	123.6	91%	0.914	79%	0.792	S	S	*	*			trans	92.6	163.7	167.2	-143.6	2.3	0	0	0	120.5
501	A	31.8	Very low	34.2	Very low	82 Å²	82	119.1 Å²	119.1	68%	0.678	78%	0.782	S	S	*	*			trans	-140.2	-143.1	-168.6	0	0	0	0	0	110
502	P	58.9	Low	34.5	Very low	121 Å²	121	120.7 Å²	120.7	79%	0.786	78%	0.776	S	S	*	*			cis	-130.7	173.9	-28.7	40.9	-25.8	0	0	0	114.8
503	A	30	Very low	34.3	Very low	106 Å²	106	120.7 Å²	120.7	88%	0.876	77%	0.771	S	S	*	*			trans	-161.6	151.7	158.4	0	0	0	0	0	114
504	R	34.6	Very low	34.4	Very low	204 Å²	204	120.2 Å²	120.2	77%	0.77	77%	0.767	S	S	*	*			trans	-161.9	148.6	175	-149.8	-165.9	-178.6	-163.6	2.6	111.8
505	P	55.2	Low	34.3	Very low	122 Å²	122	119.1 Å²	119.1	79%	0.792	77%	0.765	S	S	*	*				-134	151.5	102.4	11	11.7	0	0	0	112.2
506	R	35.1	Very low	33.5	Very low	209 Å²	209	118.8 Å²	118.8	79%	0.789	77%	0.765	S	S	*	*			cis	84.6	132.8	49.1	-162	175.2	-165.8	174.5	5.3	111.6
507	V	31.6	Very low	33.5	Very low	115 Å²	115	127.5 Å²	127.5	70%	0.697	78%	0.779	S	S	*	*			cis	-74.6	-165.7	8.9	-112.2	0	0	0	0	114.6
508	G	32.2	Very low	33.5	Very low	58 Å²	58	126.1 Å²	126.1	60%	0.598	78%	0.775	S	S	*	*			cis	95.1	160.3	10.9	0	0	0	0	0	112.7
509	L	35.7	Very low	34.8	Very low	170 Å²	170	126.2 Å²	126.2	89%	0.89	77%	0.772	S	S	*	*			cis	-166.4	157.9	-5.8	-146.2	77.8	0	0	0	107
510	A	32.2	Very low	34.6	Very low	77 Å²	77	127.2 Å²	127.2	64%	0.636	77%	0.774	S	S	*	*			cis	-120.6	-136.6	-5.9	0	0	0	0	0	108.2
511	S	29.7	Very low	34.7	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	77%	0.766	S	S	*	*			cis	-153.6	145.7	-7.5	-111.2	0	0	0	0	105.4
512	N	30.7	Very low	35.2	Very low	143 Å²	143	125.6 Å²	125.6	77%	0.765	77%	0.773	S	S	*	*			cis	93.9	129.9	43.5	-69.1	16.5	0	0	0	113.7
513	T	29.2	Very low	34	Very low	123 Å²	123	127.7 Å²	127.7	76%	0.755	77%	0.772	S	S	*	*			cis	-166.4	151	-30.5	-31.3	0	0	0	0	109.4
514	A	29.1	Very low	35	Very low	91 Å²	91	127.5 Å²	127.5	75%	0.752	76%	0.762	S	S	*	*			trans	58.8	148.8	158.4	0	0	0	0	0	119.5
515	A	30.4	Very low	34.8	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	76%	0.759	S	S	*	*			cis	95.4	113.8	11.5	0	0	0	0	0	117.8
516	S	29.7	Very low	33.6	Very low	117 Å²	117	127.7 Å²	127.7	82%	0.818	76%	0.762	S	S	*	*			trans	-178.2	134.4	150.4	-89.3	0	0	0	0	117
517	R	29.6	Very low	33.4	Very low	246 Å²	246	120.8 Å²	120.8	93%	0.928	76%	0.756	S	S	*	*			trans	63.8	159.1	138.3	-75	178.8	156	-179.5	-7.7	124
518	S	29.9	Very low	33.4	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	77%	0.767	S	S	*	*			trans	-108.4	-168.6	176.6	59.3	0	0	0	0	110
519	P	55.8	Low	33.3	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	78%	0.777	S	S	*	*			cis	-139.1	-154.7	1.3	43.4	-22.4	0	0	0	114.8
520	A	26.6	Very low	32.9	Very low	99 Å²	99	120.4 Å²	120.4	82%	0.818	78%	0.775	S	S	*	*			trans	92.7	152.9	153.8	0	0	0	0	0	121.3
521	A	30.6	Very low	32.6	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	79%	0.789	S	S	*	*			trans	-119	166.7	167.8	0	0	0	0	0	107.9
522	P	41.8	Very low	33.5	Very low	127 Å²	127	128.3 Å²	128.3	83%	0.825	79%	0.787	S	S	*	*				-151.1	-175.2	62.8	39.2	-16.6	0	0	0	117.3
523	Q	34.4	Very low	34.4	Very low	164 Å²	164	126.1 Å²	126.1	77%	0.766	78%	0.78	S	S	*	*			trans	-58.7	171.8	155.8	-78.6	-94.1	-7.2	0	0	111.7
524	P	50.7	Low	34.2	Very low	102 Å²	102	129.4 Å²	129.4	66%	0.662	79%	0.785	S	S	*	*			cis	-157	-174.8	38.9	31.7	-3.1	0	0	0	120.2
525	L	29.9	Very low	34.1	Very low	134 Å²	134	130.4 Å²	130.4	70%	0.702	79%	0.786	S	S	*	*			trans	126	127	134.3	-66.7	-179.5	0	0	0	121.1
526	K	31.6	Very low	33.9	Very low	196 Å²	196	130.9 Å²	130.9	85%	0.852	79%	0.79	S	S	*	*			trans	58.6	142.4	143.2	-66	174.6	177	178.4	0	120.8
527	G	29.8	Very low	33.7	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	78%	0.783	S	S	*	*			cis	154.1	170.6	-8.4	0	0	0	0	0	114.2
528	V	32.1	Very low	33.7	Very low	154 Å²	154	126 Å²	126	93%	0.933	78%	0.782	S	S	*	*			trans	70.6	142.9	165.2	-176.3	0	0	0	0	116.5
529	A	30.3	Very low	33.5	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	78%	0.777	S	S	*	*			cis	-167.9	161.8	-31	0	0	0	0	0	109.1
530	G	26.5	Very low	32.2	Very low	84 Å²	84	129.4 Å²	129.4	87%	0.866	79%	0.786	S	S	*	*			trans	159.1	119.2	168.4	0	0	0	0	0	117.7
531	R	27.2	Very low	32.2	Very low	242 Å²	242	128.5 Å²	128.5	91%	0.913	79%	0.787	S	S	*	*			trans	-147.5	171.1	167.7	-137.3	-163.1	173.5	-145.1	1.7	105.4
532	P	48.2	Very low	32	Very low	100 Å²	100	129.4 Å²	129.4	65%	0.649	79%	0.787	S	S	*	*			cis	-127.4	-136.7	-7.9	35.5	-10.5	0	0	0	108.8
533	P	49.9	Very low	31.4	Very low	97 Å²	97	131.4 Å²	131.4	63%	0.63	79%	0.79	S	S	*	*			cis	-138.4	-167.2	-17.4	40.5	-19.6	0	0	0	116.3
534	F	23.2	Very low	30.9	Very low	193 Å²	193	127.5 Å²	127.5	85%	0.846	79%	0.794	S	S	*	*			trans	17.9	142.1	150	-56.1	-50.9	0	0	0	122
535	S	27.1	Very low	29.7	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	80%	0.802	S	S	*	*			cis	91.2	148.4	33.6	-164.4	0	0	0	0	115.3
536	A	26.8	Very low	29.5	Very low	104 Å²	104	127.5 Å²	127.5	86%	0.86	81%	0.814	S	S	*	*			trans	68.5	142.2	-170.6	0	0	0	0	0	116.2
537	G	26.2	Very low	29.2	Very low	64 Å²	64	128.7 Å²	128.7	66%	0.66	81%	0.813	S	S	*	*			cis	171.5	-175.6	-6.8	0	0	0	0	0	112.9
538	Q	28.9	Very low	29.3	Very low	196 Å²	196	132.2 Å²	132.2	92%	0.916	82%	0.816	S	S	*	*			trans	70.9	147.8	174.3	-58.9	-174.8	51.1	0	0	116.1
539	S	26.7	Very low	28.8	Very low	93 Å²	93	133 Å²	133	65%	0.65	81%	0.809	S	S	*	*			cis	-168.3	152.8	-13.6	49.3	0	0	0	0	112.1
540	Q	27.6	Very low	28.7	Very low	204 Å²	204	137 Å²	137	95%	0.953	81%	0.809	S	S	*	*			trans	63	153.7	163.8	-65.6	-173	-5.2	0	0	118.8
541	G	26.3	Very low	28.6	Very low	81 Å²	81	140 Å²	140	84%	0.835	81%	0.805	S	S	*	*			trans	145.3	123.6	174.7	0	0	0	0	0	112
542	S	27.7	Very low	28.6	Very low	111 Å²	111	137 Å²	137	78%	0.776	80%	0.803	S	S	*	*			trans	-113.6	167.8	179.4	-170.3	0	0	0	0	111.3
543	L	29	Very low	28.7	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	81%	0.807	S	S	*	*			trans	71.1	133.4	176.7	-43.6	176.1	0	0	0	115
544	G	24.3	Very low	27.4	Very low	81 Å²	81	139 Å²	139	84%	0.835	81%	0.814	S	S	*	*			cis	169.5	149.6	-9	0	0	0	0	0	112.9
545	G	25.2	Very low	27.5	Very low	81 Å²	81	135 Å²	135	84%	0.835	81%	0.811	S	S	*	*			trans	111.5	108.8	171.5	0	0	0	0	0	114.6
546	T	26	Very low	27.6	Very low	156 Å²	156	134.5 Å²	134.5	96%	0.957	81%	0.813	S	S	*	*			trans	-97.9	168.6	-172.5	42.5	0	0	0	0	114.3
547	R	23.7	Very low	27.3	Very low	220 Å²	220	137.9 Å²	137.9	83%	0.83	81%	0.811	S	S	*	*			trans	-135.3	130.7	-168.2	172.9	-176.1	177.7	-130.7	-1.5	111.9
548	L	32.4	Very low	28.4	Very low	139 Å²	139	139.3 Å²	139.3	73%	0.728	81%	0.808	S	S	*	*			trans	64.5	110.9	163.4	-70.7	167.4	0	0	0	119.6
549	E	21.2	Very low	28.4	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	80%	0.8	S	S	*	*			trans	-97.8	149.1	136	-68.2	-108.3	88.8	0	0	106.8
550	K	28.8	Very low	28.5	Very low	180 Å²	180	140.1 Å²	140.1	78%	0.783	80%	0.802	S	S	*	*			cis	84	130.6	17.1	-158.6	-178.6	175.5	-165.9	0	116.2
551	D	23.6	Very low	28.5	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	78%	0.783	S	S	*	*			trans	-82.9	136.2	-179.4	-53.7	-91	0	0	0	114.3
552	M	27.8	Very low	28.8	Very low	178 Å²	178	141.1 Å²	141.1	88%	0.877	78%	0.777	S	S	*	*			trans	30.1	151.3	135.9	-70.7	-62.7	172.5	0	0	122.7
553	P	51.3	Low	28.9	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	77%	0.774	S	S	*	*			trans	-134.9	-170.4	-133.3	43.3	-25.1	0	0	0	114.6
554	T	21.9	Very low	30.1	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	77%	0.77	S	S	*	*			trans	-147.7	134.6	162.7	-32	0	0	0	0	112
555	S	26.2	Very low	30.3	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	76%	0.764	S	S	*	*			trans	41.7	125.7	153.1	61.6	0	0	0	0	122.1
556	A	27.6	Very low	30.4	Very low	100 Å²	100	147 Å²	147	83%	0.826	77%	0.77	S	S	*	*				176.9	152.3	108.1	0	0	0	0	0	114
557	E	20.1	Very low	30.5	Very low	175 Å²	175	143.5 Å²	143.5	82%	0.818	76%	0.757	S	S	*	*			trans	-100.3	179.5	164.8	-76.4	-75	150.6	0	0	109.1
558	P	51.1	Low	30.9	Very low	93 Å²	93	137.6 Å²	137.6	60%	0.604	76%	0.755	S	S	*	*			cis	-135.7	-163.1	-11.2	26.1	0.3	0	0	0	113.8
559	E	27.6	Very low	30.6	Very low	158 Å²	158	139.4 Å²	139.4	74%	0.738	76%	0.76	S	S	*	*			trans	65.3	151.5	159.7	-51	-47.1	69.6	0	0	119.9
560	E	28.4	Very low	30.8	Very low	149 Å²	149	136 Å²	136	70%	0.696	75%	0.751	S	S	*	*			cis	-155.9	155.6	-5.6	-128.4	-166.2	134.5	0	0	112.7
561	E	29	Very low	30.5	Very low	120 Å²	120	136.3 Å²	136.3	56%	0.561	76%	0.755	S	S	*	*			trans	32.2	149.6	136.9	-76.9	-131.7	151.8	0	0	125
562	R	31.5	Very low	30.5	Very low	185 Å²	185	135.4 Å²	135.4	70%	0.698	76%	0.755	S	S	*	*			cis	-165.3	165.8	-1.3	-143.7	-169.4	-167.5	121.3	7	115.5
563	T	31.1	Very low	31.3	Very low	116 Å²	116	132.2 Å²	132.2	71%	0.712	75%	0.748	S	S	*	*			trans	71	158.3	148	32.1	0	0	0	0	121.9
564	P	53.4	Low	29.9	Very low	125 Å²	125	136 Å²	136	81%	0.812	76%	0.756	S	S	*	*			cis	-126.5	170.5	-17.8	37.1	-22.1	0	0	0	113.6
565	G	28.1	Very low	30	Very low	68 Å²	68	133.4 Å²	133.4	70%	0.701	76%	0.755	S	S	*	*			cis	157.6	162.1	-8.4	0	0	0	0	0	113.6
566	R	27.6	Very low	29.8	Very low	257 Å²	257	136.7 Å²	136.7	97%	0.97	76%	0.758	S	S	*	*			trans	76.7	139.2	164.1	-159	178	-171.7	154.7	3.7	118.2
567	A	29.2	Very low	29.8	Very low	83 Å²	83	140.7 Å²	140.7	69%	0.686	76%	0.759	S	S	*	*			cis	-170.1	158.4	-25.1	0	0	0	0	0	112.2
568	A	31.9	Very low	30.4	Very low	95 Å²	95	139.5 Å²	139.5	79%	0.785	76%	0.759	S	S	*	*			trans	59.6	150	148.2	0	0	0	0	0	120
569	E	24.6	Very low	30.7	Very low	177 Å²	177	140 Å²	140	83%	0.827	76%	0.762	S	S	*	*			cis	-164.5	166.4	-2.6	-133	176.8	-170.2	0	0	112.1
570	T	26.5	Very low	30.9	Very low	101 Å²	101	138.4 Å²	138.4	62%	0.62	76%	0.758	S	S	*	*			trans	78.6	119.2	141.9	-65.2	0	0	0	0	123.6
571	Q	22.7	Very low	31	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	75%	0.753	S	S	*	*			trans	88.4	157.1	146.2	-88.1	177.9	110.1	0	0	125.9
572	V	22.5	Very low	31	Very low	128 Å²	128	138.8 Å²	138.8	78%	0.776	76%	0.759	S	S	*	*			trans	-99.2	150.2	178.5	164.3	0	0	0	0	106.9
573	P	45.7	Very low	31	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	76%	0.757	S	S	*	*				-154.1	-173.2	64.3	41.5	-17.7	0	0	0	119.1
574	E	22.1	Very low	31.1	Very low	190 Å²	190	138.2 Å²	138.2	89%	0.888	76%	0.761	S	S	*	*			trans	-2.8	154.2	155.6	-58.7	175.9	125.8	0	0	123.7
575	G	23.2	Very low	30	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	76%	0.759	S	S	*	*			trans	86.4	161.2	146.2	0	0	0	0	0	117.6
576	E	22.9	Very low	30.2	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	76%	0.757	S	S	*	*			cis	-161.2	163.3	-24.8	-150.5	-178.3	171.1	0	0	108.6
577	E	26.4	Very low	30.5	Very low	184 Å²	184	136 Å²	136	86%	0.86	75%	0.748	S	S	*	*			trans	64.3	156.4	163.5	-56.5	-148.5	114.8	0	0	122.5
578	D	32.8	Very low	30.7	Very low	151 Å²	151	138 Å²	138	81%	0.807	74%	0.743	S	S	*	*			trans	-85.2	-173.5	179.9	-154.3	27.4	0	0	0	110
579	P	58.2	Low	31.3	Very low	102 Å²	102	139.9 Å²	139.9	66%	0.662	74%	0.738	S	S	*	*			cis	-126.3	-171.2	-26.1	13.7	12.2	0	0	0	113.2
580	D	31.9	Very low	32.1	Very low	125 Å²	125	137.8 Å²	137.8	67%	0.668	73%	0.727	S	S	*	*				123.5	134.3	125.2	-160	32.7	0	0	0	119.9
581	M	30.1	Very low	32.7	Very low	117 Å²	117	139.5 Å²	139.5	58%	0.576	73%	0.732	S	S	*	*			trans	48.1	134.3	156.1	-97.6	-168.2	-67.3	0	0	124
582	K	29.6	Very low	33.1	Very low	161 Å²	161	133.7 Å²	133.7	70%	0.7	72%	0.721	S	S	*	*			trans	76	136.2	149.7	-60.6	156.5	-176.3	133.4	0	115.7
583	T	31.4	Very low	33.4	Very low	107 Å²	107	138 Å²	138	66%	0.656	72%	0.724	S	S	*	*			cis	-163.8	169.3	6.1	4.8	0	0	0	0	113.1
584	F	32.3	Very low	32.7	Very low	182 Å²	182	137.8 Å²	137.8	80%	0.798	72%	0.72	S	S	*	*			trans	77.3	109.2	157.4	-62.6	-56.5	0	0	0	120.8
585	L	31.3	Very low	33.2	Very low	145 Å²	145	134.1 Å²	134.1	76%	0.759	71%	0.711	S	S	*	*			trans	68.3	90.2	146.2	-85.6	71.9	0	0	0	119.6
586	T	31.4	Very low	33.2	Very low	109 Å²	109	136.9 Å²	136.9	67%	0.669	71%	0.713	S	S	*	*				70.1	88.5	117.6	-46.8	0	0	0	0	117.4
587	I	34.8	Very low	33.5	Very low	150 Å²	150	133 Å²	133	77%	0.769	71%	0.706	S	S	*	*				49.3	100.8	111.8	-60.9	165.4	0	0	0	113.4
588	E	32.1	Very low	33.8	Very low	123 Å²	123	129.5 Å²	129.5	58%	0.575	70%	0.701	S	S	*	*			cis	49.2	112.1	27.9	-135.1	-158.9	-161.9	0	0	112.3	K590	E588-K590 HydrophobicContact CG-CD 4.29Å; E588-K590 VanDerWaalsContact OE1-CD 3.26Å; E588-K590 WeakPolarHBondContact OE1-CD 3.05Å; E588-K590 WeakPolarHBondContact OE1-CE 3.29Å; E588-K590 IonicContact OE1-NZ 2.66Å; E588-K590 PolarHBondContact OE1-NZ 2.87Å; E588-K590 IonicContact OE2-NZ 3.88Å
589	I	44.2	Very low	33.9	Very low	136 Å²	136	127.3 Å²	127.3	70%	0.697	70%	0.698	S	S	*	*				-171.8	142.2	85.3	-92.7	169.4	0	0	0	107.3
590	K	41.3	Very low	32.9	Very low	133 Å²	133	128.1 Å²	128.1	58%	0.578	71%	0.706	S	S	*	*			cis	73.9	174.2	42.4	-170.4	172.1	139.6	-170.9	0	109.4	E588	E588-K590 HydrophobicContact CG-CD 4.29Å; E588-K590 VanDerWaalsContact OE1-CD 3.26Å; E588-K590 WeakPolarHBondContact OE1-CD 3.05Å; E588-K590 WeakPolarHBondContact OE1-CE 3.29Å; E588-K590 IonicContact OE1-NZ 2.66Å; E588-K590 PolarHBondContact OE1-NZ 2.87Å; E588-K590 IonicContact OE2-NZ 3.88Å
591	D	39.6	Very low	32.9	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	71%	0.709	S	S	*	*			cis	-109.5	-173.3	-31.7	-127.7	-32	0	0	0	107.3
592	G	31.9	Very low	32.9	Very low	62 Å²	62	126.5 Å²	126.5	64%	0.639	72%	0.716	S	S	*	*			cis	177.1	-170.1	0.8	0	0	0	0	0	114.3
593	R	29.2	Very low	33	Very low	219 Å²	219	124.2 Å²	124.2	83%	0.826	72%	0.721	S	S	*	*			trans	-156.3	128.9	-160.6	-176.2	-138	173.8	108.9	-2.3	111.2
594	T	30.9	Very low	32.9	Very low	108 Å²	108	124.4 Å²	124.4	66%	0.663	73%	0.726	S	S	*	*			trans	61.1	166.6	160.9	44.9	0	0	0	0	116.3
595	T	30.8	Very low	32.9	Very low	113 Å²	113	120.9 Å²	120.9	69%	0.693	72%	0.724	S	S	*	*			cis	-171.8	151	-28.9	32.8	0	0	0	0	107.7
596	T	24.7	Very low	33	Very low	133 Å²	133	120.1 Å²	120.1	82%	0.816	73%	0.725	S	S	*	*				175.2	127.6	127	27.5	0	0	0	0	115.5
597	S	29.4	Very low	33	Very low	96 Å²	96	121.7 Å²	121.7	67%	0.671	73%	0.725	S	S	*	*			trans	37.8	117.9	137.6	66.8	0	0	0	0	124.8
598	S	32.7	Very low	32.8	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	73%	0.73	S	S	*	*				53.8	150.7	126.9	55	0	0	0	0	122.9
599	S	34.7	Very low	32.6	Very low	105 Å²	105	123 Å²	123	73%	0.734	74%	0.736	S	S	*	*			cis	-164.7	167.9	9.3	26.1	0	0	0	0	115.7
600	S	35.6	Very low	32.1	Very low	120 Å²	120	124.4 Å²	124.4	84%	0.839	75%	0.745	S	S	*	*			trans	84	155.2	166.5	81.7	0	0	0	0	115.9
601	S	33.7	Very low	31.4	Very low	105 Å²	105	127 Å²	127	73%	0.734	76%	0.762	S	S	*	*			cis	-134.3	-169.9	0.6	66.1	0	0	0	0	110.2
602	S	28.6	Very low	31.1	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	77%	0.768	S	S	*	*			cis	-156.8	-170.1	4.9	5	0	0	0	0	111.2
603	S	32.3	Very low	31.9	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	77%	0.769	S	S	*	*			trans	-36.2	144.4	169.1	50.8	0	0	0	0	117.9
604	S	29.4	Very low	31.8	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	76%	0.764	S	S	*	*			cis	-162.6	-173.2	20	57.1	0	0	0	0	111.1
605	S	31.8	Very low	31.7	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	77%	0.77	S	S	*	*			cis	-160.7	172.5	8.6	23.4	0	0	0	0	113.9
606	T	32.9	Very low	31.5	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	77%	0.766	S	S	*	*			trans	-51.9	165.7	167.7	-11.7	0	0	0	0	115.2
607	Q	33.3	Very low	31.7	Very low	142 Å²	142	128.3 Å²	128.3	66%	0.664	77%	0.766	S	S	*	*			cis	-172.6	141.5	34.8	-173	167.8	-13.6	0	0	118.1
608	R	29.3	Very low	31.9	Very low	233 Å²	233	129.7 Å²	129.7	88%	0.879	77%	0.771	S	S	*	*			trans	59.4	158.7	158.1	-73.8	174.9	-175.8	-166.3	-2	119.5
609	G	28	Very low	32.4	Very low	68 Å²	68	129.6 Å²	129.6	70%	0.701	77%	0.768	S	S	*	*			cis	-178.5	167.3	-3.9	0	0	0	0	0	113.5
610	N	34.3	Very low	32.1	Very low	166 Å²	166	135.1 Å²	135.1	89%	0.888	77%	0.773	S	S	*	*			trans	-78.5	147.3	-169	-58.4	1.3	0	0	0	115.9
611	M	27	Very low	31.8	Very low	188 Å²	188	136.1 Å²	136.1	93%	0.926	77%	0.767	S	S	*	*				-171.4	159.5	124.1	-115.7	-177.1	166.2	0	0	115.8
612	M	33.3	Very low	31.6	Very low	173 Å²	173	136.5 Å²	136.5	85%	0.852	77%	0.765	S	S	*	*			trans	-132.6	168.4	160.8	-89.1	-151.8	177.5	0	0	106.2
613	P	48.4	Very low	31.6	Very low	103 Å²	103	137 Å²	137	67%	0.669	76%	0.764	S	S	*	*			cis	-156.6	-172.8	35.4	42.8	-18.7	0	0	0	119.5
614	I	27.5	Very low	31.4	Very low	139 Å²	139	139.9 Å²	139.9	71%	0.713	77%	0.769	S	S	*	*			trans	67.7	115.6	135.8	-81.6	162.7	0	0	0	123.1
615	T	28.5	Very low	31.4	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	77%	0.766	S	S	*	*			trans	60.2	160.5	146.7	63.4	0	0	0	0	120.5
616	S	26.2	Very low	31.2	Very low	88 Å²	88	142.5 Å²	142.5	62%	0.615	78%	0.776	S	S	*	*			cis	-155.2	161.9	-15.7	44.1	0	0	0	0	107.3
617	M	29.3	Very low	31.2	Very low	166 Å²	166	147.4 Å²	147.4	82%	0.818	78%	0.779	S	S	*	*				-175.7	164.6	71.4	-102	-62.6	158.9	0	0	110.9
618	T	32.6	Very low	31.6	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	79%	0.786	S	S	*	*			trans	-140	162.5	163.1	59.1	0	0	0	0	109.7
619	P	44.4	Very low	31.6	Very low	108 Å²	108	142.7 Å²	142.7	70%	0.701	78%	0.778	S	S	*	*				-151.8	156.3	105.5	38.1	-21.7	0	0	0	117
620	R	27.4	Very low	31.7	Very low	221 Å²	221	148.1 Å²	148.1	83%	0.834	79%	0.79	S	S	*	*			trans	53.5	126.4	144.3	-68.5	-172.7	166.7	107.2	0	119.9
621	I	28.6	Very low	31.5	Very low	141 Å²	141	145.1 Å²	145.1	72%	0.723	78%	0.778	S	S	*	*				65.8	123.4	70.1	-62.5	170.2	0	0	0	109.9
622	T	29.8	Very low	31.7	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	78%	0.777	S	S	*	*				-163.8	150.9	54.5	-15.8	0	0	0	0	115.4
623	T	29.7	Very low	31.5	Very low	111 Å²	111	139.5 Å²	139.5	68%	0.681	77%	0.772	S	S	*	*			trans	48.5	134.8	142.3	52.6	0	0	0	0	126.4
624	L	28.1	Very low	30.9	Very low	175 Å²	175	143.2 Å²	143.2	92%	0.916	79%	0.785	S	S	*	*			trans	54.3	131.3	134.3	-74.9	157.1	0	0	0	122.7
625	G	28.5	Very low	31.1	Very low	67 Å²	67	148.3 Å²	148.3	69%	0.691	80%	0.795	S	S	*	*				130.1	95.7	122.2	0	0	0	0	0	120.4
626	Q	28.2	Very low	31.2	Very low	208 Å²	208	147 Å²	147	97%	0.972	80%	0.797	S	S	*	*			trans	65.4	175	151.3	-61.2	-164.5	-7.7	0	0	120.2
627	R	32.8	Very low	31.4	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	81%	0.808	S	S	*	*			trans	-97.1	159.2	-167.9	-124.7	179.6	-175	-167.8	-0.3	110.3
628	P	40.9	Very low	32	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	80%	0.799	S	S	*	*				-147.6	-171.8	81.2	40	-21.9	0	0	0	115.3
629	E	29.3	Very low	31.9	Very low	152 Å²	152	148.2 Å²	148.2	71%	0.71	81%	0.805	S	S	*	*			trans	-73.3	161.1	172.2	-58.2	177.1	113.3	0	0	113
630	L	32	Very low	31.1	Very low	182 Å²	182	152.7 Å²	152.7	95%	0.953	81%	0.814	S	S	*	*			trans	-127.4	119.2	136.6	-79.8	-179.8	0	0	0	110.3
631	T	28.5	Very low	31.1	Very low	103 Å²	103	150.4 Å²	150.4	63%	0.632	82%	0.816	S	S	*	*			trans	-84.4	145.8	173.6	-82.8	0	0	0	0	110.6
632	L	32.3	Very low	30.9	Very low	172 Å²	172	148.8 Å²	148.8	90%	0.901	82%	0.817	S	S	*	*			trans	176.4	135.4	137	-94.8	160.9	0	0	0	109.3
633	G	29	Very low	30.7	Very low	72 Å²	72	148.9 Å²	148.9	74%	0.742	82%	0.823	S	S	*	*			trans	176.1	-7.3	-176.7	0	0	0	0	0	121.1
634	L	35.6	Very low	30.5	Very low	181 Å²	181	149.3 Å²	149.3	95%	0.948	83%	0.831	S	S	*	*			trans	62.4	-177.5	172.4	-61.9	173.9	0	0	0	116.9
635	R	31	Very low	30.4	Very low	245 Å²	245	145.3 Å²	145.3	93%	0.925	81%	0.814	S	S	*	*			trans	-119.5	162.5	-158.3	-78.5	-178.1	172.7	164.6	-2.9	114.4
636	A	31.6	Very low	30.4	Very low	101 Å²	101	150.5 Å²	150.5	84%	0.835	82%	0.817	S	S	*	*			trans	86.6	112.9	145	0	0	0	0	0	119
637	A	29.1	Very low	30.5	Very low	103 Å²	103	145.7 Å²	145.7	85%	0.851	81%	0.807	S	S	*	*			trans	-146.2	127.8	159.6	0	0	0	0	0	108.9
638	P	42.9	Very low	30.3	Very low	96 Å²	96	140.9 Å²	140.9	62%	0.623	81%	0.808	S	S	*	*			trans	-124.7	160.2	176.9	40.4	-29.5	0	0	0	115
639	F	29.5	Very low	29.6	Very low	207 Å²	207	138.4 Å²	138.4	91%	0.908	81%	0.805	S	S	*	*			trans	76.4	165.4	164.9	-42.1	-52.9	0	0	0	118.3
640	K	28.3	Very low	29.5	Very low	202 Å²	202	136.7 Å²	136.7	88%	0.878	81%	0.81	S	S	*	*			trans	-107.1	146	-163.7	-46.9	168.4	-179.5	175.2	0	112
641	I	27.9	Very low	29.3	Very low	173 Å²	173	133.7 Å²	133.7	89%	0.887	80%	0.804	S	S	*	*			trans	-141.4	148	135.2	-47.2	179.4	0	0	0	108
642	S	24.6	Very low	29.6	Very low	107 Å²	107	136.5 Å²	136.5	75%	0.748	81%	0.814	S	S	*	*			trans	-72.1	156.4	173.1	-42.4	0	0	0	0	112.7
643	S	24.3	Very low	29.6	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	80%	0.803	S	S	*	*			trans	175.9	173.5	137.5	-85.1	0	0	0	0	114.1
644	S	25.8	Very low	29.8	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	81%	0.809	S	S	*	*			trans	59.3	94.3	166.6	59.4	0	0	0	0	118.4
645	T	26.5	Very low	29.6	Very low	91 Å²	91	137.6 Å²	137.6	56%	0.558	79%	0.79	S	S	*	*			trans	-86.6	172.4	151.5	42.5	0	0	0	0	111.3	L22	L22-T645 HydrophobicContact CD1-CG2 4.32Å
646	F	28.4	Very low	29.8	Very low	176 Å²	176	131.1 Å²	131.1	77%	0.772	78%	0.778	S	S	*	*			trans	80.2	96	163.3	-47	-54.3	0	0	0	119.3
647	S	30.4	Very low	29.8	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	78%	0.777	S	S	*	*				6.6	141.4	113.6	-173.8	0	0	0	0	118.2
648	S	28.7	Very low	30.8	Very low	128 Å²	128	134.5 Å²	134.5	90%	0.895	77%	0.767	S	S	*	*			trans	-146.6	93.8	148.3	-83	0	0	0	0	111.7
649	G	25	Very low	30.1	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	78%	0.777	S	S	*	*			trans	-99.6	79.3	160.8	0	0	0	0	0	110.2
650	S	28.7	Very low	30.3	Very low	117 Å²	117	132.7 Å²	132.7	82%	0.818	77%	0.771	S	S	*	*			trans	20.8	124.9	159.4	-162.9	0	0	0	0	120.1
651	S	27.8	Very low	30.2	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	76%	0.762	S	S	*	*			trans	-136.1	164.1	150.9	-166.2	0	0	0	0	110.4
652	I	33.6	Very low	30.4	Very low	163 Å²	163	124.2 Å²	124.2	84%	0.836	76%	0.757	S	S	*	*			trans	-81.9	143.3	-156.9	-68.2	165.6	0	0	0	112.8
653	K	32.5	Very low	30.5	Very low	156 Å²	156	127.3 Å²	127.3	68%	0.678	76%	0.76	S	S	*	*			trans	-67.2	147.3	174.7	-78.1	-169	166.3	-157.2	0	112.9	E655	K653-E655 HydrophobicContact CB-CG 4.46Å; K653-E655 HydrophobicContact CD-CG 4.24Å; K653-E655 WeakPolarHBondContact CE-OE1 3.16Å; K653-E655 IonicContact NZ-OE1 3.44Å; K653-E655 PolarHBondContact NZ-OE1 3.23Å
654	M	34.5	Very low	31.3	Very low	174 Å²	174	127.4 Å²	127.4	86%	0.857	76%	0.758	S	S	*	*				-169.7	116.5	106.6	-78.3	-111.9	-78.4	0	0	106.8
655	E	29.6	Very low	31.2	Very low	118 Å²	118	126.8 Å²	126.8	55%	0.551	75%	0.749	S	S	*	*				69.8	126.1	70.6	-60.4	-99.8	-175.8	0	0	111.9	K653	K653-E655 HydrophobicContact CB-CG 4.46Å; K653-E655 HydrophobicContact CD-CG 4.24Å; K653-E655 WeakPolarHBondContact CE-OE1 3.16Å; K653-E655 IonicContact NZ-OE1 3.44Å; K653-E655 PolarHBondContact NZ-OE1 3.23Å
656	T	35.6	Very low	31.2	Very low	109 Å²	109	132.1 Å²	132.1	67%	0.669	77%	0.765	S	S	*	*			cis	-166	150.6	-2.8	-117	0	0	0	0	114.1
657	E	31.7	Very low	31.4	Very low	175 Å²	175	129 Å²	129	82%	0.818	77%	0.765	S	S	*	*			trans	70	147	163	-76.4	-70.7	94.6	0	0	124.7
658	P	51.5	Low	31.2	Very low	99 Å²	99	128.9 Å²	128.9	64%	0.643	77%	0.77	S	S	*	*			trans	-125.9	-175	-178.8	46.1	-33.1	0	0	0	115.4
659	V	26.3	Very low	31.1	Very low	137 Å²	137	126.2 Å²	126.2	83%	0.83	76%	0.764	S	S	*	*			trans	-140.1	112.6	164.7	176.7	0	0	0	0	113.7
660	V	33.6	Very low	32	Very low	129 Å²	129	129.4 Å²	129.4	78%	0.782	77%	0.771	S	S	*	*			trans	46.7	97.3	140.3	-171.4	0	0	0	0	121.4
661	A	27.7	Very low	32.1	Very low	84 Å²	84	129 Å²	129	69%	0.694	77%	0.769	S	S	*	*				64.7	139.5	117.8	0	0	0	0	0	125.8
662	S	31.7	Very low	32.1	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	77%	0.768	S	S	*	*			trans	69.2	126	141	50.8	0	0	0	0	123.2
663	E	26.6	Very low	31.9	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.804	76%	0.759	S	S	*	*			trans	-25.1	154.1	146	-91.1	-175.8	-169	0	0	117
664	P	40.9	Very low	31.8	Very low	117 Å²	117	128.4 Å²	128.4	76%	0.76	77%	0.765	S	S	*	*				-151	169.1	54.7	42.3	-22.4	0	0	0	120.9
665	T	24.8	Very low	31.5	Very low	108 Å²	108	123.5 Å²	123.5	66%	0.663	75%	0.752	S	S	*	*			trans	-23.1	129.6	152.8	-50.5	0	0	0	0	117.7
666	F	24.7	Very low	31.4	Very low	202 Å²	202	123.8 Å²	123.8	89%	0.886	77%	0.766	S	S	*	*				-169	164.2	113.7	-118.7	-86.5	0	0	0	112
667	S	34.2	Very low	31	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	77%	0.774	S	S	*	*			trans	-117.8	146.9	-174.8	71.4	0	0	0	0	114.7
668	A	25	Very low	30.6	Very low	104 Å²	104	125.1 Å²	125.1	86%	0.86	77%	0.773	S	S	*	*			trans	-154.5	147.5	159.6	0	0	0	0	0	110.1
669	G	27.6	Very low	30.1	Very low	73 Å²	73	126 Å²	126	75%	0.753	78%	0.779	S	S	*	*			trans	-98.8	-155.2	169.4	0	0	0	0	0	111.9
670	P	43	Very low	30.2	Very low	139 Å²	139	124 Å²	124	90%	0.903	78%	0.776	S	S	*	*			cis	-135.3	-162.9	13.8	42.3	-23.2	0	0	0	115.6
671	S	30.9	Very low	30.2	Very low	109 Å²	109	124.8 Å²	124.8	76%	0.762	78%	0.775	S	S	*	*			trans	-88.4	160.1	-164.3	-179.8	0	0	0	0	116.9
672	M	27.3	Very low	31.3	Very low	165 Å²	165	126.7 Å²	126.7	81%	0.813	78%	0.78	S	S	*	*			trans	-155	152.3	157.2	-84	-141.5	174.6	0	0	111.4
673	I	29.8	Very low	31.4	Very low	126 Å²	126	128.4 Å²	128.4	65%	0.646	78%	0.78	S	S	*	*			cis	-167.3	137.8	-30.8	-126.9	171.6	0	0	0	111.1
674	V	31.7	Very low	31.4	Very low	132 Å²	132	123.5 Å²	123.5	80%	0.8	78%	0.776	S	S	*	*			trans	62.3	154.2	142.5	162.4	0	0	0	0	122.5
675	A	27.6	Very low	30.9	Very low	72 Å²	72	123 Å²	123	60%	0.595	78%	0.776	S	S	*	*			cis	-175	-148.2	-30.8	0	0	0	0	0	111.1
676	C	26.2	Very low	31.1	Very low	123 Å²	123	122.5 Å²	122.5	83%	0.831	78%	0.777	S	S	*	*			trans	79.5	102.7	173.6	-59.3	0	0	0	0	116.6
677	Q	27.2	Very low	31.2	Very low	179 Å²	179	118.3 Å²	118.3	84%	0.836	77%	0.768	S	S	*	*			cis	88.4	124.1	5.6	-157.3	179.7	17.2	0	0	118.6
678	V	25.3	Very low	30.9	Very low	134 Å²	134	121.1 Å²	121.1	81%	0.812	77%	0.769	S	S	*	*			trans	-142.3	138.7	161.9	179.7	0	0	0	0	108.8
679	P	39.2	Very low	31.1	Very low	117 Å²	117	122.7 Å²	122.7	76%	0.76	77%	0.768	S	S	*	*			trans	-80.5	-175.4	-178.3	37.2	-39.9	0	0	0	112.8
680	A	29.1	Very low	31.4	Very low	94 Å²	94	128.4 Å²	128.4	78%	0.777	77%	0.772	S	S	*	*			cis	-152.8	-152.1	24.7	0	0	0	0	0	115.2
681	I	34.1	Very low	31	Very low	146 Å²	146	127.3 Å²	127.3	75%	0.749	77%	0.765	S	S	*	*			trans	-152	171.2	-165.9	-22.2	174.7	0	0	0	108.4
682	P	50.5	Low	30.9	Very low	125 Å²	125	126.2 Å²	126.2	81%	0.812	76%	0.762	S	S	*	*				-147.8	169.8	81.3	36.4	-17.6	0	0	0	115.3
683	N	33.2	Very low	31.6	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	76%	0.762	S	S	*	*			cis	-166	154.2	-32.1	-172.8	9.3	0	0	0	107.2
684	G	26.8	Very low	31.9	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	77%	0.766	S	S	*	*			trans	-172.6	38	-168.8	0	0	0	0	0	119.4
685	S	30.4	Very low	32.4	Very low	106 Å²	106	123.7 Å²	123.7	74%	0.741	76%	0.759	S	S	*	*			trans	24.5	112.3	150.4	-153.5	0	0	0	0	121.3
686	S	28.2	Very low	33.2	Very low	98 Å²	98	122.2 Å²	122.2	69%	0.685	75%	0.75	S	S	*	*				65.2	141.6	116.5	-138.8	0	0	0	0	120.3
687	T	27.3	Very low	34.7	Very low	114 Å²	114	124.5 Å²	124.5	70%	0.699	75%	0.746	S	S	*	*			cis	-158.8	164.7	5.6	-15.3	0	0	0	0	110.7
688	Q	28	Very low	36.4	Very low	170 Å²	170	118.1 Å²	118.1	79%	0.794	72%	0.717	S	S	*	*			trans	38.2	118.6	159.9	-62.2	-168.7	31.2	0	0	120
689	T	29.3	Very low	38.7	Very low	137 Å²	137	114.6 Å²	114.6	84%	0.84	70%	0.696	S	S	*	*				-177.7	160	111	24.1	0	0	0	0	111.7	P691	T689-P691 WeakPolarHBondContact O-CD 3.47Å
690	K	35.2	Very low	40.5	Very low	193 Å²	193	112 Å²	112	84%	0.839	68%	0.684	S	S	*	*			trans	-84.7	111.9	166.6	171.6	-172.6	176.3	-175	0	108.9
691	P	33.3	Very low	42.9	Very low	116 Å²	116	115.1 Å²	115.1	75%	0.753	68%	0.683	S	S	*	*			trans	-71.1	149.2	157.6	31	-32.2	0	0	0	109.6	T689	T689-P691 WeakPolarHBondContact O-CD 3.47Å
692	A	29.4	Very low	45.2	Very low	85 Å²	85	114.8 Å²	114.8	70%	0.702	68%	0.676	S	S	*	*			trans	-74	-179.7	-175.1	0	0	0	0	0	113.4
693	E	42.2	Very low	46.7	Very low	175 Å²	175	108.9 Å²	108.9	82%	0.818	64%	0.638	S	S	*	*			trans	-44.1	135.1	168.6	-56.4	160.3	117.8	0	0	112.9	S695	E693-S695 WeakPolarHBondContact CB-OG 3.22Å
694	S	35.2	Very low	49	Very low	103 Å²	103	104 Å²	104	72%	0.72	62%	0.618	S	S	*	*			trans	-143.2	119.7	145.2	105.9	0	0	0	0	105.6	G696	S694-G696 PolarHBondContact OG-N 3.04Å
695	S	42.3	Very low	51.8	Low	93 Å²	93	104.3 Å²	104.3	65%	0.65	61%	0.614	S	S	*	*			cis	48.6	20.6	10.7	73.1	0	0	0	0	114.4	E693 K697	E693-S695 WeakPolarHBondContact CB-OG 3.22Å; S695-K697 PolarHBondContact O-N 3.45Å
696	G	44.9	Very low	54.4	Low	41 Å²	41	100.7 Å²	100.7	42%	0.423	59%	0.586	S	S	.	*			trans	-73.2	68.4	172.2	0	0	0	0	0	110.2	S694 L698	S694-G696 PolarHBondContact OG-N 3.04Å; G696-L698 PolarHBondContact O-N 2.9Å
697	K	58.4	Low	57.2	Low	171 Å²	171	102.9 Å²	102.9	74%	0.743	59%	0.585	S	S	*	*			trans	-12	111.1	-175.7	-64.9	178.3	-179.5	177.3	0	112.2	S695 T699 E724	S695-K697 PolarHBondContact O-N 3.45Å; K697-T699 VanDerWaalsContact O-CG2 3.29Å; K697-T699 WeakPolarHBondContact O-CG2 3.5Å; K697-T699 PolarHBondContact O-N 3.35Å; K697-E724 WeakPolarHBondContact CA-OE1 3.37Å
698	L	61.7	Low	60.2	Low	44 Å²	44	101 Å²	101	23%	0.23	57%	0.571	C	S	.	*			trans	-52.1	100.2	-176	-70.8	176.8	0	0	0	111.2	G696 L703 M715 E724 I728	G696-L698 PolarHBondContact O-N 2.9Å; L698-L703 HydrophobicContact CB-CD1 3.98Å; L698-L703 HydrophobicContact CB-CD2 4.39Å; L698-L703 HydrophobicContact CB-CG 4.24Å; L698-L703 HydrophobicContact CD1-CD2 4.45Å; L698-M715 HydrophobicContact CD1-CE 3.72Å; L698-M715 HydrophobicContact CD2-CE 3.63Å; L698-M715 HydrophobicContact CG-CE 4.33Å; L698-E724 HydrophobicContact CB-CG 4.43Å; L698-E724 HydrophobicContact CD1-CB 4.3Å; L698-E724 WeakPolarHBondContact CG-OE1 3.49Å; L698-E724 PolarHBondContact N-OE1 3.4Å; L698-I728 HydrophobicContact CD1-CD1 3.81Å; L698-I728 HydrophobicContact CD1-CG1 4.21Å
699	T	74.9	Confident	63.1	Low	61 Å²	61	95.3 Å²	95.3	37%	0.374	54%	0.544	S	S	.	.			trans	-71.6	145.9	-170	63.8	0	0	0	0	110.3	K697 E701 K702 L703	K697-T699 VanDerWaalsContact O-CG2 3.29Å; K697-T699 WeakPolarHBondContact O-CG2 3.5Å; K697-T699 PolarHBondContact O-N 3.35Å; T699-E701 PolarHBondContact O-N 2.86Å; T699-E701 VanDerWaalsContact O-N 3.11Å; T699-K702 PolarHBondContact O-N 3.36Å; T699-K702 VanDerWaalsContact O-N 3.08Å; T699-K702 WeakPolarHBondContact OG1-CG 3.41Å; T699-K702 PolarHBondContact OG1-N 3.34Å; T699-L703 PolarHBondContact O-N 3.2Å
700	A	75.4	Confident	66	Low	61 Å²	61	96.5 Å²	96.5	50%	0.504	54%	0.54	S	S	.	.	H	α-helix	trans	-51.8	-38.3	179.6	0	0	0	0	0	112.2	A704 M727	A700-A704 VanDerWaalsContact O-CB 3.24Å; A700-A704 WeakPolarHBondContact O-CB 3.42Å; A700-A704 PolarHBondContact O-N 2.77Å; A700-M727 HydrophobicContact CB-CE 3.49Å; A700-M727 VanDerWaalsContact CB-CE 3.49Å
701	E	80.4	Confident	68.6	Low	161 Å²	161	91.1 Å²	91.1	75%	0.752	52%	0.52	S	S	*	.	H	α-helix	trans	-67.1	-47.6	177.7	-174.8	173.7	-151.2	0	0	113	T699 L703 A704 A705	T699-E701 PolarHBondContact O-N 2.86Å; T699-E701 VanDerWaalsContact O-N 3.11Å; E701-L703 VanDerWaalsContact C-N 3.28Å; E701-L703 PolarHBondContact O-N 3.05Å; E701-A704 PolarHBondContact O-N 3.11Å; E701-A705 WeakPolarHBondContact O-CB 3.15Å; E701-A705 PolarHBondContact O-N 3.01Å
702	K	81.4	Confident	71.2	Confident	138 Å²	138	85.6 Å²	85.6	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-59.9	-39.7	175.7	-77.1	178.2	178.8	-177.5	0	111.7	T699	T699-K702 PolarHBondContact O-N 3.36Å; T699-K702 VanDerWaalsContact O-N 3.08Å; T699-K702 WeakPolarHBondContact OG1-CG 3.41Å; T699-K702 PolarHBondContact OG1-N 3.34Å
703	L	82.8	Confident	74.2	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.01	47%	0.471	C	S	.	.	H	α-helix	trans	-73.9	-32.4	177.4	-65.6	174.5	0	0	0	112.7	L698 T699 E701 I706 L712 M715 M727 I728 A731	L698-L703 HydrophobicContact CB-CD1 3.98Å; L698-L703 HydrophobicContact CB-CD2 4.39Å; L698-L703 HydrophobicContact CB-CG 4.24Å; L698-L703 HydrophobicContact CD1-CD2 4.45Å; T699-L703 PolarHBondContact O-N 3.2Å; E701-L703 VanDerWaalsContact C-N 3.28Å; E701-L703 PolarHBondContact O-N 3.05Å; L703-I706 HydrophobicContact CD2-CD1 4.39Å; L703-L712 HydrophobicContact CD2-CD2 4.1Å; L703-M715 HydrophobicContact CD2-CE 3.73Å; L703-M715 HydrophobicContact CD2-SD 4.49Å; L703-M727 HydrophobicContact CD1-CB 3.67Å; L703-I728 HydrophobicContact CD1-CG1 3.94Å; L703-I728 HydrophobicContact CD2-CG1 3.82Å; L703-A731 HydrophobicContact CB-CB 3.73Å
704	A	81.6	Confident	76.6	Confident	46 Å²	46	83 Å²	83	38%	0.38	46%	0.459	S	S	.	.	H	α-helix	trans	-71.8	-32.3	174.1	0	0	0	0	0	112.7	A700 E701 I706 R738	A700-A704 VanDerWaalsContact O-CB 3.24Å; A700-A704 WeakPolarHBondContact O-CB 3.42Å; A700-A704 PolarHBondContact O-N 2.77Å; E701-A704 PolarHBondContact O-N 3.11Å; A704-I706 PolarHBondContact O-N 2.85Å; A704-R738 PolarHBondContact O-NH1 2.85Å; A704-R738 PolarHBondContact O-NH2 2.86Å
705	A	84.4	Confident	79	Confident	76 Å²	76	79.9 Å²	79.9	63%	0.628	43%	0.433	S	S	*	.	S	Bend	trans	-66.6	-18.8	175.9	0	0	0	0	0	113.8	E701 E707	E701-A705 WeakPolarHBondContact O-CB 3.15Å; E701-A705 PolarHBondContact O-N 3.01Å; A705-E707 PolarHBondContact O-N 2.87Å
706	I	86.1	Confident	81.3	Confident	29 Å²	29	76.5 Å²	76.5	15%	0.149	41%	0.407	C	S	.	.			trans	-76.3	124.5	175.9	-59.7	165.8	0	0	0	109.8	L703 A704 D708 L711 L712 M715 R738	L703-I706 HydrophobicContact CD2-CD1 4.39Å; A704-I706 PolarHBondContact O-N 2.85Å; I706-D708 HydrophobicContact CG2-CB 4.37Å; I706-D708 WeakPolarHBondContact CG2-O 3.15Å; I706-L711 HydrophobicContact CD1-CD2 4.32Å; I706-L711 HydrophobicContact CG1-CD2 4.4Å; I706-L711 HydrophobicContact CG2-CB 4.39Å; I706-L711 HydrophobicContact CG2-CD2 3.96Å; I706-L711 HydrophobicContact CG2-CG 4.35Å; I706-L712 HydrophobicContact CB-CD1 4.43Å; I706-L712 HydrophobicContact CB-CD2 4.17Å; I706-L712 HydrophobicContact CB-CG 4.16Å; I706-L712 HydrophobicContact CD1-CD2 3.82Å; I706-L712 HydrophobicContact CD1-CG 4.47Å; I706-L712 HydrophobicContact CG2-CD1 4.24Å; I706-L712 HydrophobicContact CG2-CD2 4.26Å; I706-L712 HydrophobicContact CG2-CG 3.78Å; I706-M715 HydrophobicContact CD1-CE 4.49Å; I706-M715 HydrophobicContact CD1-SD 3.7Å; I706-R738 PolarHBondContact O-NH2 2.78Å
707	E	86.3	Confident	83.5	Confident	144 Å²	144	80 Å²	80	67%	0.673	42%	0.417	S	S	*	.			trans	-102.2	-14.2	175.8	-57	-155.6	139.6	0	0	113.7	A705 L735 K739	A705-E707 PolarHBondContact O-N 2.87Å; E707-L735 HydrophobicContact CB-CD1 4.48Å; E707-L735 WeakPolarHBondContact O-CD1 3.26Å; E707-L735 WeakPolarHBondContact O-CD2 3.5Å; E707-K739 WeakPolarHBondContact O-CE 3.44Å; E707-K739 PolarHBondContact O-NZ 3.01Å
708	D	90.6	Very high	84.9	Confident	74 Å²	74	77.7 Å²	77.7	40%	0.396	41%	0.408	S	S	.	.			trans	-80.1	140.4	173.6	-178.2	28.1	0	0	0	111.4	I706 E710 L711 L735	I706-D708 HydrophobicContact CG2-CB 4.37Å; I706-D708 WeakPolarHBondContact CG2-O 3.15Å; D708-E710 PolarHBondContact OD1-N 3.02Å; D708-E710 VanDerWaalsContact OD1-N 3.08Å; D708-L711 HydrophobicContact CB-CB 4.1Å; D708-L711 WeakPolarHBondContact OD2-CB 3.38Å; D708-L711 PolarHBondContact OD2-N 2.82Å; D708-L735 WeakPolarHBondContact O-CD2 3.28Å
709	E	89.5	Confident	86.2	Confident	52 Å²	52	76.3 Å²	76.3	24%	0.243	40%	0.402	C	S	.	.	H	α-helix	trans	-90.7	-31.2	-179.9	-150.9	158.8	142.2	0	0	111.4	D713 M732 L735 R736 K739	E709-D713 PolarHBondContact O-N 2.82Å; E709-D713 VanDerWaalsContact O-N 3.13Å; E709-M732 HydrophobicContact CG-CE 3.97Å; E709-M732 HydrophobicContact CG-SD 3.77Å; E709-M732 WeakPolarHBondContact O-CE 3.49Å; E709-L735 HydrophobicContact CB-CD2 4.42Å; E709-R736 IonicContact OE1-CZ 3.2Å; E709-R736 IonicContact OE1-NE 3.86Å; E709-R736 PolarHBondContact OE1-NE 3.31Å; E709-R736 IonicContact OE1-NH2 2.63Å; E709-R736 PolarHBondContact OE1-NH2 2.89Å; E709-K739 IonicContact OE2-NZ 2.81Å; E709-K739 PolarHBondContact OE2-NZ 2.87Å
710	E	89.4	Confident	86.7	Confident	161 Å²	161	83.1 Å²	83.1	75%	0.752	43%	0.427	S	S	*	.	H	α-helix	trans	-75.6	-42.3	-178.2	-63.7	178.6	-162.3	0	0	111	D708 L712 D713 K714	D708-E710 PolarHBondContact OD1-N 3.02Å; D708-E710 VanDerWaalsContact OD1-N 3.08Å; E710-L712 VanDerWaalsContact C-N 3.33Å; E710-L712 PolarHBondContact O-N 2.86Å; E710-D713 PolarHBondContact O-N 2.84Å; E710-K714 WeakPolarHBondContact O-CB 3.41Å; E710-K714 PolarHBondContact O-N 2.82Å
711	L	89.9	Confident	87.5	Confident	81 Å²	81	85.3 Å²	85.3	42%	0.424	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-42.2	171.3	-179.6	59.2	0	0	0	112.7	I706 D708 K714 M715	I706-L711 HydrophobicContact CD1-CD2 4.32Å; I706-L711 HydrophobicContact CG1-CD2 4.4Å; I706-L711 HydrophobicContact CG2-CB 4.39Å; I706-L711 HydrophobicContact CG2-CD2 3.96Å; I706-L711 HydrophobicContact CG2-CG 4.35Å; D708-L711 HydrophobicContact CB-CB 4.1Å; D708-L711 WeakPolarHBondContact OD2-CB 3.38Å; D708-L711 PolarHBondContact OD2-N 2.82Å; L711-K714 PolarHBondContact O-N 3.28Å; L711-M715 HydrophobicContact CD1-CG 4.45Å; L711-M715 HydrophobicContact CD1-SD 4.48Å; L711-M715 HydrophobicContact CG-SD 4.35Å; L711-M715 WeakPolarHBondContact O-CB 3.22Å; L711-M715 VanDerWaalsContact O-CG 3.28Å; L711-M715 WeakPolarHBondContact O-CG 3.5Å; L711-M715 PolarHBondContact O-N 3.08Å
712	L	89.3	Confident	88	Confident	0 Å²	0	85 Å²	85	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-69.2	-34.8	177.4	-77.1	173.5	0	0	0	112.5	L703 I706 E710 L716 I728 A731 M732 L735	L703-L712 HydrophobicContact CD2-CD2 4.1Å; I706-L712 HydrophobicContact CB-CD1 4.43Å; I706-L712 HydrophobicContact CB-CD2 4.17Å; I706-L712 HydrophobicContact CB-CG 4.16Å; I706-L712 HydrophobicContact CD1-CD2 3.82Å; I706-L712 HydrophobicContact CD1-CG 4.47Å; I706-L712 HydrophobicContact CG2-CD1 4.24Å; I706-L712 HydrophobicContact CG2-CD2 4.26Å; I706-L712 HydrophobicContact CG2-CG 3.78Å; E710-L712 VanDerWaalsContact C-N 3.33Å; E710-L712 PolarHBondContact O-N 2.86Å; L712-L716 VanDerWaalsContact O-CB 3.28Å; L712-L716 WeakPolarHBondContact O-CB 3.28Å; L712-L716 PolarHBondContact O-N 3Å; L712-I728 HydrophobicContact CB-CG2 4.43Å; L712-I728 HydrophobicContact CD2-CG2 4.18Å; L712-I728 WeakPolarHBondContact O-CG2 2.99Å; L712-A731 HydrophobicContact CD1-CB 4.34Å; L712-A731 HydrophobicContact CD2-CB 4.27Å; L712-M732 HydrophobicContact CB-CE 4.14Å; L712-M732 HydrophobicContact CB-CG 3.81Å; L712-M732 HydrophobicContact CB-SD 3.66Å; L712-M732 HydrophobicContact CD1-CG 4.17Å; L712-M732 HydrophobicContact CD1-SD 4.03Å; L712-L735 HydrophobicContact CD1-CB 4.49Å; L712-L735 HydrophobicContact CD1-CD2 3.77Å
713	D	91.7	Very high	88.5	Confident	80 Å²	80	83 Å²	83	43%	0.428	42%	0.419	S	S	.	.	H	α-helix	trans	-72	-38.2	176.4	-133.3	42.8	0	0	0	111	E709 E710 L716 D717 M732	E709-D713 PolarHBondContact O-N 2.82Å; E709-D713 VanDerWaalsContact O-N 3.13Å; E710-D713 PolarHBondContact O-N 2.84Å; D713-L716 WeakPolarHBondContact O-CA 3.49Å; D713-L716 VanDerWaalsContact O-CB 3.31Å; D713-L716 WeakPolarHBondContact O-CB 3.38Å; D713-L716 PolarHBondContact O-N 2.57Å; D713-L716 VanDerWaalsContact O-N 3.13Å; D713-D717 PolarHBondContact O-N 2.92Å; D713-D717 VanDerWaalsContact O-N 3.16Å; D713-M732 HydrophobicContact CB-CE 3.67Å; D713-M732 WeakPolarHBondContact OD1-CE 3.48Å
714	K	92	Very high	88.8	Confident	126 Å²	126	84.8 Å²	84.8	55%	0.548	43%	0.428	S	S	.	.	H	α-helix	trans	-61	-48.3	171.9	-178.1	172.6	175	176.6	0	112	E710 L711 L716 D717 E718	E710-K714 WeakPolarHBondContact O-CB 3.41Å; E710-K714 PolarHBondContact O-N 2.82Å; L711-K714 PolarHBondContact O-N 3.28Å; K714-L716 PolarHBondContact O-N 3.14Å; K714-D717 PolarHBondContact O-N 3.43Å; K714-D717 VanDerWaalsContact O-N 3.13Å; K714-E718 WeakPolarHBondContact CE-OE1 3.45Å; K714-E718 IonicContact NZ-OE1 3.24Å; K714-E718 WeakPolarHBondContact O-CG 2.83Å; K714-E718 PolarHBondContact O-N 3.41Å
715	M	86.8	Confident	89.3	Confident	36 Å²	36	86.4 Å²	86.4	18%	0.177	42%	0.424	C	S	.	.	H	α-helix	trans	-60.2	-34.1	173.1	-71.1	177.4	72	0	0	112	L698 L703 I706 L711 D717 E718 S719 I728	L698-M715 HydrophobicContact CD1-CE 3.72Å; L698-M715 HydrophobicContact CD2-CE 3.63Å; L698-M715 HydrophobicContact CG-CE 4.33Å; L703-M715 HydrophobicContact CD2-CE 3.73Å; L703-M715 HydrophobicContact CD2-SD 4.49Å; I706-M715 HydrophobicContact CD1-CE 4.49Å; I706-M715 HydrophobicContact CD1-SD 3.7Å; L711-M715 HydrophobicContact CD1-CG 4.45Å; L711-M715 HydrophobicContact CD1-SD 4.48Å; L711-M715 HydrophobicContact CG-SD 4.35Å; L711-M715 WeakPolarHBondContact O-CB 3.22Å; L711-M715 VanDerWaalsContact O-CG 3.28Å; L711-M715 WeakPolarHBondContact O-CG 3.5Å; L711-M715 PolarHBondContact O-N 3.08Å; M715-D717 VanDerWaalsContact C-N 3.27Å; M715-D717 PolarHBondContact O-N 3.02Å; M715-E718 PolarHBondContact O-N 2.91Å; M715-S719 WeakPolarHBondContact O-CB 3.37Å; M715-S719 PolarHBondContact O-N 3.45Å; M715-I728 HydrophobicContact CB-CD1 4.11Å
716	L	89.7	Confident	89.7	Confident	23 Å²	23	87.5 Å²	87.5	12%	0.12	41%	0.414	C	S	.	.	H	α-helix	trans	-66	-26.6	177.5	-177.2	147.2	0	0	0	112.7	L712 D713 K714 R725 I728 R729	L712-L716 VanDerWaalsContact O-CB 3.28Å; L712-L716 WeakPolarHBondContact O-CB 3.28Å; L712-L716 PolarHBondContact O-N 3Å; D713-L716 WeakPolarHBondContact O-CA 3.49Å; D713-L716 VanDerWaalsContact O-CB 3.31Å; D713-L716 WeakPolarHBondContact O-CB 3.38Å; D713-L716 PolarHBondContact O-N 2.57Å; D713-L716 VanDerWaalsContact O-N 3.13Å; K714-L716 PolarHBondContact O-N 3.14Å; L716-R725 HydrophobicContact CG-CG 4.01Å; L716-R725 WeakPolarHBondContact O-CD 3.31Å; L716-R725 WeakPolarHBondContact O-CG 3.24Å; L716-R725 VanDerWaalsContact O-CZ 3.28Å; L716-R725 PolarHBondContact O-NE 2.96Å; L716-R725 PolarHBondContact O-NH2 2.77Å; L716-I728 HydrophobicContact CB-CG2 3.79Å; L716-I728 HydrophobicContact CD1-CG2 4.33Å; L716-R729 HydrophobicContact CD1-CG 3.51Å
717	D	90.3	Very high	89.9	Confident	115 Å²	115	88.9 Å²	88.9	62%	0.615	42%	0.421	S	S	*	.	H	α-helix	trans	-96.2	-23.6	175.8	-80.2	-10.8	0	0	0	113.7	D713 K714 M715 R725	D713-D717 PolarHBondContact O-N 2.92Å; D713-D717 VanDerWaalsContact O-N 3.16Å; K714-D717 PolarHBondContact O-N 3.43Å; K714-D717 VanDerWaalsContact O-N 3.13Å; M715-D717 VanDerWaalsContact C-N 3.27Å; M715-D717 PolarHBondContact O-N 3.02Å; D717-R725 IonicContact OD1-CZ 3.07Å; D717-R725 IonicContact OD1-NH2 2.67Å; D717-R725 PolarHBondContact OD1-NH2 3.29Å
718	E	88.9	Confident	90.1	Very high	121 Å²	121	82 Å²	82	57%	0.565	39%	0.389	S	S	*	.	H	α-helix	trans	-77	-36.8	171.7	-70.4	175.4	175.6	0	0	113	K714 M715 K720	K714-E718 WeakPolarHBondContact CE-OE1 3.45Å; K714-E718 IonicContact NZ-OE1 3.24Å; K714-E718 WeakPolarHBondContact O-CG 2.83Å; K714-E718 PolarHBondContact O-N 3.41Å; M715-E718 PolarHBondContact O-N 2.91Å; E718-K720 PolarHBondContact O-N 2.62Å
719	S	89.6	Confident	90.3	Very high	16 Å²	16	82.5 Å²	82.5	11%	0.112	39%	0.385	C	S	.	.			trans	-70.4	110.6	177.6	-82.9	0	0	0	0	112.5	M715 E724 I728	M715-S719 WeakPolarHBondContact O-CB 3.37Å; M715-S719 PolarHBondContact O-N 3.45Å; S719-E724 PolarHBondContact OG-OE2 3.08Å; S719-I728 WeakPolarHBondContact OG-CD1 3.03Å
720	K	84.7	Confident	90.4	Very high	203 Å²	203	81.4 Å²	81.4	88%	0.883	39%	0.385	S	S	*	.			trans	-75.4	-27.2	173.3	-63.7	176.1	-175.9	173.9	0	112.8	E718	E718-K720 PolarHBondContact O-N 2.62Å
721	D	92.5	Very high	90.5	Very high	108 Å²	108	74.1 Å²	74.1	58%	0.578	35%	0.352	S	S	*	.			trans	-72.6	128.9	-178	-81.4	-77.5	0	0	0	113.4	E723 E724 R725	D721-E723 PolarHBondContact O-N 2.7Å; D721-E724 HydrophobicContact CB-CB 4.03Å; D721-E724 HydrophobicContact CB-CG 3.9Å; D721-E724 PolarHBondContact O-N 3.24Å; D721-R725 WeakPolarHBondContact O-CB 3.29Å; D721-R725 PolarHBondContact O-N 3.27Å
722	F	90.7	Very high	90.5	Very high	153 Å²	153	70.7 Å²	70.7	67%	0.671	33%	0.334	S	S	*	.	H	α-helix	trans	-63.4	-41.3	-176.4	178.4	-92	0	0	0	113	R725 K726	F722-R725 PolarHBondContact O-N 2.67Å; F722-K726 HydrophobicContact CE1-CD 4.43Å; F722-K726 VanDerWaalsContact O-CB 3.29Å; F722-K726 WeakPolarHBondContact O-CB 3.33Å; F722-K726 PolarHBondContact O-N 2.94Å
723	E	91.2	Very high	90.7	Very high	97 Å²	97	78.3 Å²	78.3	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-71.8	-39.3	-178.8	-169.4	60.5	-150	0	0	111	D721 K726 M727	D721-E723 PolarHBondContact O-N 2.7Å; E723-K726 WeakPolarHBondContact O-CB 3.34Å; E723-K726 PolarHBondContact O-N 3.43Å; E723-K726 WeakPolarHBondContact OE1-CE 3.35Å; E723-K726 IonicContact OE1-NZ 3.67Å; E723-K726 PolarHBondContact OE1-NZ 2.78Å; E723-K726 WeakPolarHBondContact OE2-CD 3.37Å; E723-K726 IonicContact OE2-NZ 2.67Å; E723-K726 PolarHBondContact OE2-NZ 3.06Å; E723-M727 WeakPolarHBondContact O-CG 3.48Å; E723-M727 PolarHBondContact O-N 3.45Å
724	E	90.1	Very high	90.7	Very high	40 Å²	40	78.4 Å²	78.4	19%	0.187	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-48.5	171	-65.9	-155.3	146.7	0	0	111.5	K697 L698 S719 D721 K726 M727 I728	K697-E724 WeakPolarHBondContact CA-OE1 3.37Å; L698-E724 HydrophobicContact CB-CG 4.43Å; L698-E724 HydrophobicContact CD1-CB 4.3Å; L698-E724 WeakPolarHBondContact CG-OE1 3.49Å; L698-E724 PolarHBondContact N-OE1 3.4Å; S719-E724 PolarHBondContact OG-OE2 3.08Å; D721-E724 HydrophobicContact CB-CB 4.03Å; D721-E724 HydrophobicContact CB-CG 3.9Å; D721-E724 PolarHBondContact O-N 3.24Å; E724-K726 PolarHBondContact O-N 3.2Å; E724-M727 CarbonylContact O-C 3.57Å; E724-M727 WeakPolarHBondContact O-CA 3.2Å; E724-M727 WeakPolarHBondContact O-CB 3.46Å; E724-M727 PolarHBondContact O-N 2.9Å; E724-I728 WeakPolarHBondContact O-CG1 3.38Å; E724-I728 PolarHBondContact O-N 2.89Å
725	R	91.3	Very high	90.8	Very high	80 Å²	80	72.6 Å²	72.6	30%	0.302	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-27.5	177.7	-154.2	173.9	-175.3	-176.1	9.9	112.2	L716 D717 D721 F722 R729	L716-R725 HydrophobicContact CG-CG 4.01Å; L716-R725 WeakPolarHBondContact O-CD 3.31Å; L716-R725 WeakPolarHBondContact O-CG 3.24Å; L716-R725 VanDerWaalsContact O-CZ 3.28Å; L716-R725 PolarHBondContact O-NE 2.96Å; L716-R725 PolarHBondContact O-NH2 2.77Å; D717-R725 IonicContact OD1-CZ 3.07Å; D717-R725 IonicContact OD1-NH2 2.67Å; D717-R725 PolarHBondContact OD1-NH2 3.29Å; D721-R725 WeakPolarHBondContact O-CB 3.29Å; D721-R725 PolarHBondContact O-N 3.27Å; F722-R725 PolarHBondContact O-N 2.67Å; R725-R729 WeakPolarHBondContact O-CB 3.14Å; R725-R729 WeakPolarHBondContact O-CD 3.33Å; R725-R729 WeakPolarHBondContact O-CG 3.46Å; R725-R729 PolarHBondContact O-N 2.9Å; R725-R729 VanDerWaalsContact O-N 3.14Å
726	K	93.6	Very high	90.9	Very high	98 Å²	98	76.9 Å²	76.9	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-39.8	170.7	168.2	-175.3	163.5	-139.5	0	112.1	F722 E723 E724 R729 A730	F722-K726 HydrophobicContact CE1-CD 4.43Å; F722-K726 VanDerWaalsContact O-CB 3.29Å; F722-K726 WeakPolarHBondContact O-CB 3.33Å; F722-K726 PolarHBondContact O-N 2.94Å; E723-K726 WeakPolarHBondContact O-CB 3.34Å; E723-K726 PolarHBondContact O-N 3.43Å; E723-K726 WeakPolarHBondContact OE1-CE 3.35Å; E723-K726 IonicContact OE1-NZ 3.67Å; E723-K726 PolarHBondContact OE1-NZ 2.78Å; E723-K726 WeakPolarHBondContact OE2-CD 3.37Å; E723-K726 IonicContact OE2-NZ 2.67Å; E723-K726 PolarHBondContact OE2-NZ 3.06Å; E724-K726 PolarHBondContact O-N 3.2Å; K726-R729 PolarHBondContact O-N 3.19Å; K726-A730 PolarHBondContact O-N 3.44Å
727	M	90.4	Very high	91.1	Very high	58 Å²	58	80.5 Å²	80.5	29%	0.286	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-42.9	174.3	-68.7	-59	-66.8	0	0	112.3	A700 L703 E723 E724 R729 A730 A731	A700-M727 HydrophobicContact CB-CE 3.49Å; A700-M727 VanDerWaalsContact CB-CE 3.49Å; L703-M727 HydrophobicContact CD1-CB 3.67Å; E723-M727 WeakPolarHBondContact O-CG 3.48Å; E723-M727 PolarHBondContact O-N 3.45Å; E724-M727 CarbonylContact O-C 3.57Å; E724-M727 WeakPolarHBondContact O-CA 3.2Å; E724-M727 WeakPolarHBondContact O-CB 3.46Å; E724-M727 PolarHBondContact O-N 2.9Å; M727-R729 VanDerWaalsContact C-N 3.34Å; M727-R729 PolarHBondContact O-N 3.34Å; M727-A730 WeakPolarHBondContact O-CA 3.37Å; M727-A730 WeakPolarHBondContact O-CB 3.48Å; M727-A730 PolarHBondContact O-N 3.14Å; M727-A731 PolarHBondContact O-N 3.16Å
728	I	90.7	Very high	91.1	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-42.5	174.5	-60.9	159.6	0	0	0	110.4	L698 L703 L712 M715 L716 S719 E724 A730 A731 M732	L698-I728 HydrophobicContact CD1-CD1 3.81Å; L698-I728 HydrophobicContact CD1-CG1 4.21Å; L703-I728 HydrophobicContact CD1-CG1 3.94Å; L703-I728 HydrophobicContact CD2-CG1 3.82Å; L712-I728 HydrophobicContact CB-CG2 4.43Å; L712-I728 HydrophobicContact CD2-CG2 4.18Å; L712-I728 WeakPolarHBondContact O-CG2 2.99Å; M715-I728 HydrophobicContact CB-CD1 4.11Å; L716-I728 HydrophobicContact CB-CG2 3.79Å; L716-I728 HydrophobicContact CD1-CG2 4.33Å; S719-I728 WeakPolarHBondContact OG-CD1 3.03Å; E724-I728 WeakPolarHBondContact O-CG1 3.38Å; E724-I728 PolarHBondContact O-N 2.89Å; I728-A730 VanDerWaalsContact C-N 3.26Å; I728-A730 PolarHBondContact O-N 3.4Å; I728-A731 PolarHBondContact O-N 3.11Å; I728-M732 WeakPolarHBondContact O-CB 3.38Å; I728-M732 PolarHBondContact O-N 3.04Å
729	R	93.3	Very high	91.2	Very high	85 Å²	85	76.9 Å²	76.9	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-28.7	171.6	-73.5	165.4	-171.6	153.9	-1	113.4	L716 R725 K726 M727 R733	L716-R729 HydrophobicContact CD1-CG 3.51Å; R725-R729 WeakPolarHBondContact O-CB 3.14Å; R725-R729 WeakPolarHBondContact O-CD 3.33Å; R725-R729 WeakPolarHBondContact O-CG 3.46Å; R725-R729 PolarHBondContact O-N 2.9Å; R725-R729 VanDerWaalsContact O-N 3.14Å; K726-R729 PolarHBondContact O-N 3.19Å; M727-R729 VanDerWaalsContact C-N 3.34Å; M727-R729 PolarHBondContact O-N 3.34Å; R729-R733 WeakPolarHBondContact O-CG 3.21Å; R729-R733 PolarHBondContact O-N 2.88Å; R729-R733 PolarHBondContact O-NH1 2.91Å
730	A	93.2	Very high	91.3	Very high	28 Å²	28	82.8 Å²	82.8	23%	0.231	36%	0.362	C	S	.	.	H	α-helix	trans	-71.5	-53.4	173	0	0	0	0	0	110.2	K726 M727 I728 M732 R733 D734	K726-A730 PolarHBondContact O-N 3.44Å; M727-A730 WeakPolarHBondContact O-CA 3.37Å; M727-A730 WeakPolarHBondContact O-CB 3.48Å; M727-A730 PolarHBondContact O-N 3.14Å; I728-A730 VanDerWaalsContact C-N 3.26Å; I728-A730 PolarHBondContact O-N 3.4Å; A730-M732 VanDerWaalsContact C-N 3.28Å; A730-M732 PolarHBondContact O-N 2.72Å; A730-R733 WeakPolarHBondContact O-CA 3.01Å; A730-R733 WeakPolarHBondContact O-CB 3.46Å; A730-R733 PolarHBondContact O-N 2.89Å; A730-D734 PolarHBondContact O-N 3.13Å
731	A	90.9	Very high	91.6	Very high	9 Å²	9	75.5 Å²	75.5	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-54	-40.8	176.3	0	0	0	0	0	113.1	L703 L712 M727 I728 R733 D734 L735	L703-A731 HydrophobicContact CB-CB 3.73Å; L712-A731 HydrophobicContact CD1-CB 4.34Å; L712-A731 HydrophobicContact CD2-CB 4.27Å; M727-A731 PolarHBondContact O-N 3.16Å; I728-A731 PolarHBondContact O-N 3.11Å; A731-R733 PolarHBondContact O-N 3.03Å; A731-D734 CarbonylContact O-C 3.59Å; A731-D734 PolarHBondContact O-N 3.09Å; A731-L735 VanDerWaalsContact O-CB 3.26Å; A731-L735 WeakPolarHBondContact O-CB 3.31Å; A731-L735 PolarHBondContact O-N 3.49Å
732	M	90.6	Very high	91.6	Very high	9 Å²	9	76.1 Å²	76.1	4%	0.044	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-42.7	172.4	-87.5	-68.1	-128	0	0	113.6	E709 L712 D713 I728 A730 R736	E709-M732 HydrophobicContact CG-CE 3.97Å; E709-M732 HydrophobicContact CG-SD 3.77Å; E709-M732 WeakPolarHBondContact O-CE 3.49Å; L712-M732 HydrophobicContact CB-CE 4.14Å; L712-M732 HydrophobicContact CB-CG 3.81Å; L712-M732 HydrophobicContact CB-SD 3.66Å; L712-M732 HydrophobicContact CD1-CG 4.17Å; L712-M732 HydrophobicContact CD1-SD 4.03Å; D713-M732 HydrophobicContact CB-CE 3.67Å; D713-M732 WeakPolarHBondContact OD1-CE 3.48Å; I728-M732 WeakPolarHBondContact O-CB 3.38Å; I728-M732 PolarHBondContact O-N 3.04Å; A730-M732 VanDerWaalsContact C-N 3.28Å; A730-M732 PolarHBondContact O-N 2.72Å; M732-R736 WeakPolarHBondContact O-CB 3.49Å; M732-R736 VanDerWaalsContact O-CG 3.29Å; M732-R736 WeakPolarHBondContact O-CG 3.48Å; M732-R736 PolarHBondContact O-N 2.81Å
733	R	92.8	Very high	91.4	Very high	159 Å²	159	74.8 Å²	74.8	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-67.7	-40.4	175.7	-68.4	179.4	-153.1	103.9	-5	111.2	R729 A730 A731 R736 K737	R729-R733 WeakPolarHBondContact O-CG 3.21Å; R729-R733 PolarHBondContact O-N 2.88Å; R729-R733 PolarHBondContact O-NH1 2.91Å; A730-R733 WeakPolarHBondContact O-CA 3.01Å; A730-R733 WeakPolarHBondContact O-CB 3.46Å; A730-R733 PolarHBondContact O-N 2.89Å; A731-R733 PolarHBondContact O-N 3.03Å; R733-R736 CarbonylContact O-C 3.55Å; R733-R736 PolarHBondContact O-N 3.14Å; R733-K737 VanDerWaalsContact O-CB 3.29Å; R733-K737 WeakPolarHBondContact O-CB 3.35Å; R733-K737 PolarHBondContact O-N 3.36Å
734	D	92.4	Very high	91.4	Very high	83 Å²	83	75.4 Å²	75.4	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-76.6	-26.7	-178.2	-69	-41.2	0	0	0	112.9	A730 A731 K737 R738	A730-D734 PolarHBondContact O-N 3.13Å; A731-D734 CarbonylContact O-C 3.59Å; A731-D734 PolarHBondContact O-N 3.09Å; D734-K737 PolarHBondContact O-N 2.9Å; D734-R738 WeakPolarHBondContact O-CB 3.43Å; D734-R738 VanDerWaalsContact O-CG 3.29Å; D734-R738 WeakPolarHBondContact O-CG 3.44Å; D734-R738 PolarHBondContact O-N 2.82Å; D734-R738 PolarHBondContact O-NE 2.81Å
735	L	92.7	Very high	91.5	Very high	4 Å²	4	79.6 Å²	79.6	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-49.6	166.7	180	58.6	0	0	0	111	E707 D708 E709 L712 A731 K737 R738 K739	E707-L735 HydrophobicContact CB-CD1 4.48Å; E707-L735 WeakPolarHBondContact O-CD1 3.26Å; E707-L735 WeakPolarHBondContact O-CD2 3.5Å; D708-L735 WeakPolarHBondContact O-CD2 3.28Å; E709-L735 HydrophobicContact CB-CD2 4.42Å; L712-L735 HydrophobicContact CD1-CB 4.49Å; L712-L735 HydrophobicContact CD1-CD2 3.77Å; A731-L735 VanDerWaalsContact O-CB 3.26Å; A731-L735 WeakPolarHBondContact O-CB 3.31Å; A731-L735 PolarHBondContact O-N 3.49Å; L735-K737 PolarHBondContact O-N 3.13Å; L735-R738 PolarHBondContact O-N 2.82Å; L735-K739 HydrophobicContact CD1-CD 4.44Å; L735-K739 HydrophobicContact CD1-CG 4.33Å; L735-K739 HydrophobicContact CG-CD 4.42Å; L735-K739 WeakPolarHBondContact O-CB 3.46Å; L735-K739 WeakPolarHBondContact O-CG 3.47Å; L735-K739 PolarHBondContact O-N 2.81Å
736	R	90.3	Very high	91.4	Very high	126 Å²	126	79.7 Å²	79.7	48%	0.475	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-19.3	173.1	-72.3	174.8	171	157.1	8	113.3	E709 M732 R733 R740	E709-R736 IonicContact OE1-CZ 3.2Å; E709-R736 IonicContact OE1-NE 3.86Å; E709-R736 PolarHBondContact OE1-NE 3.31Å; E709-R736 IonicContact OE1-NH2 2.63Å; E709-R736 PolarHBondContact OE1-NH2 2.89Å; M732-R736 WeakPolarHBondContact O-CB 3.49Å; M732-R736 VanDerWaalsContact O-CG 3.29Å; M732-R736 WeakPolarHBondContact O-CG 3.48Å; M732-R736 PolarHBondContact O-N 2.81Å; R733-R736 CarbonylContact O-C 3.55Å; R733-R736 PolarHBondContact O-N 3.14Å; R736-R740 WeakPolarHBondContact O-CG 3.43Å; R736-R740 PolarHBondContact O-NE 3.35Å
737	K	92.9	Very high	91	Very high	98 Å²	98	82.1 Å²	82.1	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-79.6	-56.6	168.4	-173.1	-175.2	170.6	-167.3	0	110.6	R733 D734 L735 K739 R740 D741	R733-K737 VanDerWaalsContact O-CB 3.29Å; R733-K737 WeakPolarHBondContact O-CB 3.35Å; R733-K737 PolarHBondContact O-N 3.36Å; D734-K737 PolarHBondContact O-N 2.9Å; L735-K737 PolarHBondContact O-N 3.13Å; K737-K739 VanDerWaalsContact C-N 3.29Å; K737-K739 PolarHBondContact O-N 3.35Å; K737-R740 CarbonylContact O-C 3.59Å; K737-R740 WeakPolarHBondContact O-CA 3.17Å; K737-R740 WeakPolarHBondContact O-CB 3.4Å; K737-R740 PolarHBondContact O-N 3.15Å; K737-D741 WeakPolarHBondContact CE-OD2 3.41Å; K737-D741 WeakPolarHBondContact CG-OD1 3.18Å; K737-D741 WeakPolarHBondContact CG-OD2 3.49Å; K737-D741 VanDerWaalsContact O-CG 3.31Å; K737-D741 PolarHBondContact O-N 2.71Å
738	R	91.2	Very high	91	Very high	86 Å²	86	83.9 Å²	83.9	33%	0.325	36%	0.364	S	S	.	.	H	α-helix	trans	-49.5	-45.3	174.6	-76.7	179.7	-68.8	161.8	-6.2	112.7	A704 I706 D734 L735 R740 D741 Q742	A704-R738 PolarHBondContact O-NH1 2.85Å; A704-R738 PolarHBondContact O-NH2 2.86Å; I706-R738 PolarHBondContact O-NH2 2.78Å; D734-R738 WeakPolarHBondContact O-CB 3.43Å; D734-R738 VanDerWaalsContact O-CG 3.29Å; D734-R738 WeakPolarHBondContact O-CG 3.44Å; D734-R738 PolarHBondContact O-N 2.82Å; D734-R738 PolarHBondContact O-NE 2.81Å; L735-R738 PolarHBondContact O-N 2.82Å; R738-R740 PolarHBondContact O-N 3.48Å; R738-D741 PolarHBondContact O-N 2.8Å; R738-Q742 WeakPolarHBondContact O-CB 3.45Å; R738-Q742 PolarHBondContact O-N 3.23Å
739	K	90.6	Very high	91.1	Very high	75 Å²	75	87.8 Å²	87.8	33%	0.326	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-20.4	175.4	-70.9	-178.9	-175.5	171.6	0	114	E707 E709 L735 K737 R743	E707-K739 WeakPolarHBondContact O-CE 3.44Å; E707-K739 PolarHBondContact O-NZ 3.01Å; E709-K739 IonicContact OE2-NZ 2.81Å; E709-K739 PolarHBondContact OE2-NZ 2.87Å; L735-K739 HydrophobicContact CD1-CD 4.44Å; L735-K739 HydrophobicContact CD1-CG 4.33Å; L735-K739 HydrophobicContact CG-CD 4.42Å; L735-K739 WeakPolarHBondContact O-CB 3.46Å; L735-K739 WeakPolarHBondContact O-CG 3.47Å; L735-K739 PolarHBondContact O-N 2.81Å; K737-K739 VanDerWaalsContact C-N 3.29Å; K737-K739 PolarHBondContact O-N 3.35Å; K739-R743 PolarHBondContact O-NE 3.08Å; K739-R743 PolarHBondContact O-NH2 3.08Å
740	R	91.2	Very high	91	Very high	140 Å²	140	90 Å²	90	53%	0.528	40%	0.396	S	S	.	.	H	α-helix	trans	-86.3	-53.3	169.8	-73.7	179.5	-66.7	120.1	-5.6	111.1	R736 K737 R738 Q742 R743 E744	R736-R740 WeakPolarHBondContact O-CG 3.43Å; R736-R740 PolarHBondContact O-NE 3.35Å; K737-R740 CarbonylContact O-C 3.59Å; K737-R740 WeakPolarHBondContact O-CA 3.17Å; K737-R740 WeakPolarHBondContact O-CB 3.4Å; K737-R740 PolarHBondContact O-N 3.15Å; R738-R740 PolarHBondContact O-N 3.48Å; R740-Q742 PolarHBondContact O-N 2.86Å; R740-R743 CarbonylContact O-C 3.58Å; R740-R743 WeakPolarHBondContact O-CA 3.2Å; R740-R743 PolarHBondContact O-N 3.39Å; R740-E744 PolarHBondContact O-N 3.42Å
741	D	91.3	Very high	90.9	Very high	50 Å²	50	94 Å²	94	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-57.8	-33.5	-178.8	-56.5	11	0	0	0	111.1	K737 R738 E744 K745	K737-D741 WeakPolarHBondContact CE-OD2 3.41Å; K737-D741 WeakPolarHBondContact CG-OD1 3.18Å; K737-D741 WeakPolarHBondContact CG-OD2 3.49Å; K737-D741 VanDerWaalsContact O-CG 3.31Å; K737-D741 PolarHBondContact O-N 2.71Å; R738-D741 PolarHBondContact O-N 2.8Å; D741-E744 WeakPolarHBondContact O-CB 3.29Å; D741-E744 PolarHBondContact O-N 3.01Å; D741-K745 WeakPolarHBondContact O-CG 3.35Å; D741-K745 PolarHBondContact O-N 3Å
742	Q	92.8	Very high	90.7	Very high	120 Å²	120	99.5 Å²	99.5	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-68.5	-40.4	174.1	-175.2	63.6	5.9	0	0	112.9	R738 R740 E744 K745 E746	R738-Q742 WeakPolarHBondContact O-CB 3.45Å; R738-Q742 PolarHBondContact O-N 3.23Å; R740-Q742 PolarHBondContact O-N 2.86Å; Q742-E744 PolarHBondContact O-N 3.45Å; Q742-K745 PolarHBondContact O-N 2.64Å; Q742-E746 WeakPolarHBondContact O-CB 3.35Å; Q742-E746 PolarHBondContact O-N 3.08Å
743	R	86.9	Confident	90.8	Very high	126 Å²	126	104.8 Å²	104.8	48%	0.475	46%	0.462	S	S	.	.	H	α-helix	trans	-73.3	-16.9	174.2	-69.3	-176.6	-63.8	-131.7	-0.3	112.7	K739 R740 R747	K739-R743 PolarHBondContact O-NE 3.08Å; K739-R743 PolarHBondContact O-NH2 3.08Å; R740-R743 CarbonylContact O-C 3.58Å; R740-R743 WeakPolarHBondContact O-CA 3.2Å; R740-R743 PolarHBondContact O-N 3.39Å; R743-R747 WeakPolarHBondContact O-CG 3.32Å; R743-R747 VanDerWaalsContact O-CZ 3.32Å; R743-R747 PolarHBondContact O-NE 3.16Å; R743-R747 PolarHBondContact O-NH1 2.95Å
744	E	90	Very high	90.4	Very high	109 Å²	109	102.1 Å²	102.1	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-79.1	-50.5	169.7	-167.6	153.3	-126.2	0	0	110.1	R740 D741 Q742 E746 R747 D748	R740-E744 PolarHBondContact O-N 3.42Å; D741-E744 WeakPolarHBondContact O-CB 3.29Å; D741-E744 PolarHBondContact O-N 3.01Å; Q742-E744 PolarHBondContact O-N 3.45Å; E744-E746 VanDerWaalsContact C-N 3.28Å; E744-E746 PolarHBondContact O-N 2.86Å; E744-R747 WeakPolarHBondContact O-CA 3.36Å; E744-R747 WeakPolarHBondContact O-CB 3.48Å; E744-R747 PolarHBondContact O-N 2.9Å; E744-D748 PolarHBondContact O-N 2.66Å
745	K	92.4	Very high	90.2	Very high	128 Å²	128	107 Å²	107	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-52.9	-41.5	170.3	-71.5	171	-178.3	179.6	0	113.1	D741 Q742 R747 D748 T749	D741-K745 WeakPolarHBondContact O-CG 3.35Å; D741-K745 PolarHBondContact O-N 3Å; Q742-K745 PolarHBondContact O-N 2.64Å; K745-R747 VanDerWaalsContact C-N 3.27Å; K745-R747 PolarHBondContact O-N 3.49Å; K745-D748 PolarHBondContact O-N 3.39Å; K745-T749 WeakPolarHBondContact O-CG2 3.44Å; K745-T749 PolarHBondContact O-N 3.13Å; K745-T749 PolarHBondContact O-OG1 3.45Å; K745-T749 VanDerWaalsContact O-OG1 3.05Å
746	E	90.5	Very high	90	Very high	82 Å²	82	111.7 Å²	111.7	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-28.8	176	-167.4	-162.7	160.2	0	0	113.2	Q742 E744 T749 R750	Q742-E746 WeakPolarHBondContact O-CB 3.35Å; Q742-E746 PolarHBondContact O-N 3.08Å; E744-E746 VanDerWaalsContact C-N 3.28Å; E744-E746 PolarHBondContact O-N 2.86Å; E746-T749 PolarHBondContact O-OG1 3.41Å; E746-R750 WeakPolarHBondContact O-CB 3.19Å; E746-R750 VanDerWaalsContact O-CG 3.29Å; E746-R750 WeakPolarHBondContact O-CG 3.37Å; E746-R750 PolarHBondContact O-N 3.22Å; E746-R750 IonicContact OE1-CZ 2.68Å; E746-R750 IonicContact OE1-NH1 3.29Å; E746-R750 PolarHBondContact OE1-NH1 2.88Å; E746-R750 IonicContact OE1-NH2 3.72Å; E746-R750 PolarHBondContact OE1-NH2 3.2Å
747	R	84.5	Confident	89.5	Confident	150 Å²	150	108.8 Å²	108.8	57%	0.566	49%	0.487	S	S	*	.	H	α-helix	trans	-79.6	-41	172.9	-67.8	172.8	-160.3	120.7	1.2	111	R743 E744 K745 R750 L751	R743-R747 WeakPolarHBondContact O-CG 3.32Å; R743-R747 VanDerWaalsContact O-CZ 3.32Å; R743-R747 PolarHBondContact O-NE 3.16Å; R743-R747 PolarHBondContact O-NH1 2.95Å; E744-R747 WeakPolarHBondContact O-CA 3.36Å; E744-R747 WeakPolarHBondContact O-CB 3.48Å; E744-R747 PolarHBondContact O-N 2.9Å; K745-R747 VanDerWaalsContact C-N 3.27Å; K745-R747 PolarHBondContact O-N 3.49Å; R747-R750 PolarHBondContact O-N 3.13Å; R747-L751 VanDerWaalsContact O-CB 3.27Å; R747-L751 WeakPolarHBondContact O-CB 3.41Å; R747-L751 PolarHBondContact O-N 2.73Å
748	D	89.6	Confident	88.9	Confident	94 Å²	94	113.4 Å²	113.4	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-39.2	-179.9	-71.9	-18	0	0	0	111.9	E744 K745 L751 Q752	E744-D748 PolarHBondContact O-N 2.66Å; K745-D748 PolarHBondContact O-N 3.39Å; D748-L751 PolarHBondContact O-N 2.68Å; D748-Q752 VanDerWaalsContact O-CB 3.31Å; D748-Q752 WeakPolarHBondContact O-CB 3.39Å; D748-Q752 PolarHBondContact O-N 2.83Å
749	T	93.3	Very high	88.2	Confident	82 Å²	82	114.2 Å²	114.2	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-43.1	172.3	55	0	0	0	0	111.5	K745 E746 L751 Q752 E753	K745-T749 WeakPolarHBondContact O-CG2 3.44Å; K745-T749 PolarHBondContact O-N 3.13Å; K745-T749 PolarHBondContact O-OG1 3.45Å; K745-T749 VanDerWaalsContact O-OG1 3.05Å; E746-T749 PolarHBondContact O-OG1 3.41Å; T749-L751 VanDerWaalsContact C-N 3.31Å; T749-L751 PolarHBondContact O-N 2.84Å; T749-Q752 PolarHBondContact O-N 2.98Å; T749-E753 VanDerWaalsContact O-CB 3.31Å; T749-E753 WeakPolarHBondContact O-CB 3.46Å; T749-E753 PolarHBondContact O-N 2.81Å
750	R	91.5	Very high	87.2	Confident	131 Å²	131	116.2 Å²	116.2	49%	0.494	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-35.8	172.1	-78.4	-178.6	-179.1	129.2	9.8	112.9	E746 R747 L754	E746-R750 WeakPolarHBondContact O-CB 3.19Å; E746-R750 VanDerWaalsContact O-CG 3.29Å; E746-R750 WeakPolarHBondContact O-CG 3.37Å; E746-R750 PolarHBondContact O-N 3.22Å; E746-R750 IonicContact OE1-CZ 2.68Å; E746-R750 IonicContact OE1-NH1 3.29Å; E746-R750 PolarHBondContact OE1-NH1 2.88Å; E746-R750 IonicContact OE1-NH2 3.72Å; E746-R750 PolarHBondContact OE1-NH2 3.2Å; R747-R750 PolarHBondContact O-N 3.13Å; R750-L754 WeakPolarHBondContact O-CB 3.27Å; R750-L754 VanDerWaalsContact O-CG 3.25Å; R750-L754 WeakPolarHBondContact O-CG 3.21Å; R750-L754 PolarHBondContact O-N 2.84Å
751	L	90.4	Very high	86	Confident	113 Å²	113	117.2 Å²	117.2	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-71.1	-37	176.7	-176.4	62	0	0	0	111.3	R747 D748 T749 R755	R747-L751 VanDerWaalsContact O-CB 3.27Å; R747-L751 WeakPolarHBondContact O-CB 3.41Å; R747-L751 PolarHBondContact O-N 2.73Å; D748-L751 PolarHBondContact O-N 2.68Å; T749-L751 VanDerWaalsContact C-N 3.31Å; T749-L751 PolarHBondContact O-N 2.84Å; L751-R755 WeakPolarHBondContact O-CB 3.22Å; L751-R755 PolarHBondContact O-N 2.8Å
752	Q	87	Confident	84.9	Confident	124 Å²	124	118 Å²	118	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-69.5	-40.6	173.3	-170.6	172.6	9.9	0	0	111.5	D748 T749 R755 L756	D748-Q752 VanDerWaalsContact O-CB 3.31Å; D748-Q752 WeakPolarHBondContact O-CB 3.39Å; D748-Q752 PolarHBondContact O-N 2.83Å; T749-Q752 PolarHBondContact O-N 2.98Å; Q752-R755 WeakPolarHBondContact O-CB 3.38Å; Q752-R755 PolarHBondContact O-N 2.81Å; Q752-L756 HydrophobicContact CG-CD1 4.34Å; Q752-L756 WeakPolarHBondContact O-CB 3.41Å; Q752-L756 WeakPolarHBondContact O-CG 3.22Å; Q752-L756 PolarHBondContact O-N 3.48Å
753	E	91.8	Very high	83.3	Confident	120 Å²	120	119.5 Å²	119.5	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-47	171.9	-173.9	-171.7	-179.7	0	0	111	T749 R755 L756 Q757	T749-E753 VanDerWaalsContact O-CB 3.31Å; T749-E753 WeakPolarHBondContact O-CB 3.46Å; T749-E753 PolarHBondContact O-N 2.81Å; E753-R755 VanDerWaalsContact C-N 3.25Å; E753-R755 PolarHBondContact O-N 2.94Å; E753-L756 PolarHBondContact O-N 2.82Å; E753-Q757 WeakPolarHBondContact O-CB 3.5Å; E753-Q757 PolarHBondContact O-N 2.79Å
754	L	86.2	Confident	81.6	Confident	104 Å²	104	122.1 Å²	122.1	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-61	-33.2	173.1	-78.7	167	0	0	0	112.6	R750 R758	R750-L754 WeakPolarHBondContact O-CB 3.27Å; R750-L754 VanDerWaalsContact O-CG 3.25Å; R750-L754 WeakPolarHBondContact O-CG 3.21Å; R750-L754 PolarHBondContact O-N 2.84Å; L754-R758 WeakPolarHBondContact O-CB 3.4Å; L754-R758 PolarHBondContact O-N 2.67Å
755	R	87.9	Confident	79.4	Confident	186 Å²	186	119.2 Å²	119.2	70%	0.702	56%	0.558	S	S	*	*	H	α-helix	trans	-72.4	-46.2	176.1	-172.2	174.7	-175.4	141.5	0.6	111.6	L751 Q752 E753 R758 E759	L751-R755 WeakPolarHBondContact O-CB 3.22Å; L751-R755 PolarHBondContact O-N 2.8Å; Q752-R755 WeakPolarHBondContact O-CB 3.38Å; Q752-R755 PolarHBondContact O-N 2.81Å; E753-R755 VanDerWaalsContact C-N 3.25Å; E753-R755 PolarHBondContact O-N 2.94Å; R755-R758 WeakPolarHBondContact O-CB 3.38Å; R755-R758 PolarHBondContact O-N 3.03Å; R755-R758 VanDerWaalsContact O-N 3.13Å; R755-E759 WeakPolarHBondContact O-CB 3.48Å; R755-E759 PolarHBondContact O-N 3.33Å
756	L	87.8	Confident	77.1	Confident	101 Å²	101	124.7 Å²	124.7	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-61.9	-43.3	174.3	-71.4	169.5	0	0	0	111	Q752 E753 R758 E759 E760	Q752-L756 HydrophobicContact CG-CD1 4.34Å; Q752-L756 WeakPolarHBondContact O-CB 3.41Å; Q752-L756 WeakPolarHBondContact O-CG 3.22Å; Q752-L756 PolarHBondContact O-N 3.48Å; E753-L756 PolarHBondContact O-N 2.82Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 2.87Å; L756-E759 CarbonylContact O-C 3.59Å; L756-E759 PolarHBondContact O-N 3.46Å; L756-E759 VanDerWaalsContact O-N 3.08Å; L756-E760 WeakPolarHBondContact O-CB 3.48Å; L756-E760 PolarHBondContact O-N 2.91Å
757	Q	79.9	Confident	74.6	Confident	65 Å²	65	124.9 Å²	124.9	30%	0.304	59%	0.591	S	S	.	*	H	α-helix	trans	-64.4	-29.2	174.4	-168.5	-174	102.1	0	0	112.5	E753 R761	E753-Q757 WeakPolarHBondContact O-CB 3.5Å; E753-Q757 PolarHBondContact O-N 2.79Å; Q757-R761 WeakPolarHBondContact O-CB 3.19Å; Q757-R761 WeakPolarHBondContact O-CD 3.39Å; Q757-R761 WeakPolarHBondContact O-CG 3.17Å; Q757-R761 PolarHBondContact O-N 3.04Å
758	R	79.5	Confident	72.9	Confident	196 Å²	196	121.3 Å²	121.3	74%	0.74	60%	0.601	S	S	*	*	H	α-helix	trans	-74	-35.8	171.4	-176.1	178.7	-179.6	-178	0.1	111.8	L754 R755 L756 A762	L754-R758 WeakPolarHBondContact O-CB 3.4Å; L754-R758 PolarHBondContact O-N 2.67Å; R755-R758 WeakPolarHBondContact O-CB 3.38Å; R755-R758 PolarHBondContact O-N 3.03Å; R755-R758 VanDerWaalsContact O-N 3.13Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 2.87Å; R758-A762 WeakPolarHBondContact O-CB 3.35Å; R758-A762 PolarHBondContact O-N 3.1Å
759	E	77.8	Confident	71.1	Confident	102 Å²	102	120.7 Å²	120.7	48%	0.477	61%	0.608	S	S	.	*	H	α-helix	trans	-75.3	-41.8	179.5	-171.6	156.4	-162.6	0	0	112.3	R755 L756 R761 A762 Q763	R755-E759 WeakPolarHBondContact O-CB 3.48Å; R755-E759 PolarHBondContact O-N 3.33Å; L756-E759 CarbonylContact O-C 3.59Å; L756-E759 PolarHBondContact O-N 3.46Å; L756-E759 VanDerWaalsContact O-N 3.08Å; E759-R761 VanDerWaalsContact C-N 3.34Å; E759-R761 PolarHBondContact O-N 3Å; E759-A762 WeakPolarHBondContact O-CA 3.28Å; E759-A762 WeakPolarHBondContact O-CB 3.18Å; E759-A762 PolarHBondContact O-N 3.11Å; E759-Q763 WeakPolarHBondContact O-CG 3.34Å; E759-Q763 PolarHBondContact O-N 3.36Å
760	E	68.1	Low	69.5	Low	118 Å²	118	118.8 Å²	118.8	55%	0.551	61%	0.605	S	S	*	*	H	α-helix	trans	-56.7	-46.8	169.7	-169.7	-154.6	155	0	0	110.9	L756 A762 Q763 K764	L756-E760 WeakPolarHBondContact O-CB 3.48Å; L756-E760 PolarHBondContact O-N 2.91Å; E760-A762 VanDerWaalsContact C-N 3.27Å; E760-A762 PolarHBondContact O-N 2.86Å; E760-Q763 PolarHBondContact O-N 3.31Å; E760-K764 VanDerWaalsContact O-CB 3.3Å; E760-K764 WeakPolarHBondContact O-CB 3.49Å; E760-K764 PolarHBondContact O-N 3.44Å
761	R	66.6	Low	68	Low	160 Å²	160	116.9 Å²	116.9	60%	0.604	60%	0.602	S	S	*	*	H	α-helix	trans	-61.7	-32.1	173.4	-77.5	175.4	-177.2	133.2	7.4	113.1	Q757 E759 G765	Q757-R761 WeakPolarHBondContact O-CB 3.19Å; Q757-R761 WeakPolarHBondContact O-CD 3.39Å; Q757-R761 WeakPolarHBondContact O-CG 3.17Å; Q757-R761 PolarHBondContact O-N 3.04Å; E759-R761 VanDerWaalsContact C-N 3.34Å; E759-R761 PolarHBondContact O-N 3Å; R761-G765 PolarHBondContact O-N 2.96Å
762	A	67.7	Low	67	Low	66 Å²	66	115 Å²	115	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-74.9	-44	177.2	0	0	0	0	0	111.7	R758 E759 E760 K764 G765	R758-A762 WeakPolarHBondContact O-CB 3.35Å; R758-A762 PolarHBondContact O-N 3.1Å; E759-A762 WeakPolarHBondContact O-CA 3.28Å; E759-A762 WeakPolarHBondContact O-CB 3.18Å; E759-A762 PolarHBondContact O-N 3.11Å; E760-A762 VanDerWaalsContact C-N 3.27Å; E760-A762 PolarHBondContact O-N 2.86Å; A762-K764 VanDerWaalsContact C-N 3.35Å; A762-K764 PolarHBondContact O-N 3.35Å; A762-G765 PolarHBondContact O-N 3.37Å
763	Q	58.9	Low	66.3	Low	153 Å²	153	111.7 Å²	111.7	72%	0.715	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-37.6	177.1	-67.7	-176.8	14.1	0	0	111.9	E759 E760 G765	E759-Q763 WeakPolarHBondContact O-CG 3.34Å; E759-Q763 PolarHBondContact O-N 3.36Å; E760-Q763 PolarHBondContact O-N 3.31Å; Q763-G765 PolarHBondContact O-N 3Å
764	K	51.5	Low	65.3	Low	181 Å²	181	112.1 Å²	112.1	79%	0.787	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-4	172.5	-156.9	167	-170.4	166.3	0	113.8	E760 A762	E760-K764 VanDerWaalsContact O-CB 3.3Å; E760-K764 WeakPolarHBondContact O-CB 3.49Å; E760-K764 PolarHBondContact O-N 3.44Å; A762-K764 VanDerWaalsContact C-N 3.35Å; A762-K764 PolarHBondContact O-N 3.35Å
765	G	44.6	Very low	65	Low	47 Å²	47	115.6 Å²	115.6	49%	0.485	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.2	8.7	-171.7	0	0	0	0	0	116.1	R761 A762 Q763 A767	R761-G765 PolarHBondContact O-N 2.96Å; A762-G765 PolarHBondContact O-N 3.37Å; Q763-G765 PolarHBondContact O-N 3Å; G765-A767 VanDerWaalsContact C-N 3.27Å; G765-A767 PolarHBondContact O-N 3.21Å
766	R	44.9	Very low	64.6	Low	244 Å²	244	112.7 Å²	112.7	92%	0.921	59%	0.585	S	S	*	*			trans	-86.1	54.3	-176.6	-157.1	-179.5	-179.3	175	0.4	114
767	A	37.7	Very low	64.2	Low	86 Å²	86	115.3 Å²	115.3	71%	0.711	60%	0.597	S	S	*	*	S	Bend	trans	-150.6	146.8	162.1	0	0	0	0	0	109.8	G765	G765-A767 VanDerWaalsContact C-N 3.27Å; G765-A767 PolarHBondContact O-N 3.21Å
768	G	48.3	Very low	63.7	Low	75 Å²	75	117.6 Å²	117.6	77%	0.773	61%	0.607	S	S	*	*	S	Bend	trans	-69.3	158.6	173	0	0	0	0	0	112.3
769	A	51.4	Low	63.9	Low	80 Å²	80	114.9 Å²	114.9	66%	0.661	60%	0.601	S	S	*	*	S	Bend	trans	64.7	102.9	-170.5	0	0	0	0	0	114.3	E771	A769-E771 PolarHBondContact O-N 3.36Å
770	G	59.9	Low	63.9	Low	42 Å²	42	112.4 Å²	112.4	43%	0.433	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.8	115.3	-179.8	0	0	0	0	0	112.5	F795	G770-F795 PolarHBondContact N-O 2.97Å; G770-F795 PolarHBondContact O-N 3.19Å
771	E	60.8	Low	63.9	Low	91 Å²	91	112.3 Å²	112.3	43%	0.425	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	116.2	167.8	178.8	164.2	-147.5	0	0	110.7	A769 V773 T792 R794	A769-E771 PolarHBondContact O-N 3.36Å; E771-V773 HydrophobicContact CG-CG2 3.89Å; E771-T792 HydrophobicContact CG-CG2 4.14Å; E771-T792 WeakPolarHBondContact OE1-CG2 3.27Å; E771-R794 HydrophobicContact CB-CG 4.17Å; E771-R794 HydrophobicContact CG-CG 3.93Å; E771-R794 IonicContact OE1-CZ 3.31Å; E771-R794 IonicContact OE1-NE 3.8Å; E771-R794 PolarHBondContact OE1-NE 2.95Å; E771-R794 IonicContact OE1-NH2 2.64Å; E771-R794 PolarHBondContact OE1-NH2 3.28Å; E771-R794 IonicContact OE2-CZ 3.18Å; E771-R794 IonicContact OE2-NE 2.66Å; E771-R794 PolarHBondContact OE2-NE 3.27Å; E771-R794 IonicContact OE2-NH2 4Å; E771-R794 PolarHBondContact OE2-NH2 2.92Å
772	V	68.5	Low	64	Low	74 Å²	74	110.1 Å²	110.1	45%	0.448	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	106.1	179	-177.7	0	0	0	0	109.1	N793 F795	V772-N793 HydrophobicContact CB-CB 4.46Å; V772-N793 PolarHBondContact N-O 3.14Å; V772-N793 PolarHBondContact O-N 2.65Å; V772-F795 HydrophobicContact CG2-CE2 4.4Å
773	V	72.7	Confident	64.1	Low	54 Å²	54	108.3 Å²	108.3	33%	0.327	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	116.3	177.5	-172.4	0	0	0	0	110.4	E771 R775 T790 T792	E771-V773 HydrophobicContact CG-CG2 3.89Å; V773-R775 HydrophobicContact CG1-CG 4.3Å; V773-T790 HydrophobicContact CG1-CG2 3.81Å; V773-T792 HydrophobicContact CG2-CG2 4.28Å
774	M	70.7	Confident	64.7	Low	129 Å²	129	102.8 Å²	102.8	64%	0.635	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.6	124.4	172.1	-65.1	-66.3	-68.8	0	0	109.1	T790 K791	M774-T790 CarbonylContact O-C 3.6Å; M774-K791 HydrophobicContact CB-CB 4.48Å; M774-K791 PolarHBondContact N-O 3.35Å; M774-K791 PolarHBondContact O-N 3.04Å
775	R	80.1	Confident	65.8	Low	177 Å²	177	95.8 Å²	95.8	67%	0.668	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.6	129.1	170.9	-64.2	-172.4	-174.2	95.6	-0.9	110	V773 V789 T790	V773-R775 HydrophobicContact CG1-CG 4.3Å; R775-V789 CarbonylContact C-O 3.49Å; R775-V789 WeakPolarHBondContact CA-O 3.41Å; R775-T790 HydrophobicContact CG-CG2 4.04Å
776	K	78.8	Confident	67.2	Low	126 Å²	126	96.7 Å²	96.7	55%	0.548	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	163.1	-173.9	-169	173.3	-162.6	0	107.3	E778 V789	K776-E778 WeakPolarHBondContact CE-OE2 3.49Å; K776-E778 IonicContact NZ-OE2 2.72Å; K776-E778 PolarHBondContact NZ-OE2 2.9Å; K776-V789 PolarHBondContact N-O 3.47Å; K776-V789 PolarHBondContact O-N 3.21Å
777	M	80.6	Confident	68.8	Low	156 Å²	156	87.1 Å²	87.1	77%	0.768	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.2	166.4	63.7	-178.7	-174.4	0	0	109.1	S787	M777-S787 CarbonylContact C-O 3.5Å; M777-S787 WeakPolarHBondContact CA-O 3.26Å
778	E	69	Low	70.9	Confident	112 Å²	112	86.2 Å²	86.2	52%	0.523	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	121.6	-179.2	-166.9	167.6	134	0	0	107.4	K776 S787	K776-E778 WeakPolarHBondContact CE-OE2 3.49Å; K776-E778 IonicContact NZ-OE2 2.72Å; K776-E778 PolarHBondContact NZ-OE2 2.9Å; E778-S787 PolarHBondContact N-O 3.27Å; E778-S787 PolarHBondContact O-N 3.39Å
779	K	82.6	Confident	72.6	Confident	140 Å²	140	85 Å²	85	61%	0.609	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.5	-175.8	-162.8	-172.8	-173.6	-162.6	0	108	G783 T785 L786	K779-G783 WeakPolarHBondContact CE-O 3.48Å; K779-T785 WeakPolarHBondContact CA-O 3.22Å; K779-T785 WeakPolarHBondContact CG-O 3.32Å; K779-L786 HydrophobicContact CB-CD1 3.92Å; K779-L786 HydrophobicContact CD-CD1 4.41Å; K779-L786 HydrophobicContact CG-CD1 3.99Å
780	S	78.2	Confident	74.1	Confident	50 Å²	50	81.8 Å²	81.8	35%	0.35	45%	0.447	S	S	.	.			trans	-65.2	155.8	177	170.7	0	0	0	0	111.4	D782 G783 T785	S780-D782 WeakPolarHBondContact CB-OD1 3.32Å; S780-D782 PolarHBondContact O-N 3.19Å; S780-D782 PolarHBondContact OG-OD1 2.94Å; S780-G783 WeakPolarHBondContact O-CA 3.37Å; S780-G783 PolarHBondContact O-N 3.27Å; S780-T785 WeakPolarHBondContact CB-OG1 3.37Å; S780-T785 PolarHBondContact N-O 2.95Å; S780-T785 VanDerWaalsContact N-O 3.07Å
781	A	68.5	Low	75.3	Confident	116 Å²	116	84.6 Å²	84.6	96%	0.959	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	-177.4	0	0	0	0	0	113.2	G783	A781-G783 PolarHBondContact O-N 3.01Å
782	D	69.8	Low	76.4	Confident	113 Å²	113	81.3 Å²	81.3	60%	0.604	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.7	170.6	68	-7.7	0	0	0	113.6	S780 S784	S780-D782 WeakPolarHBondContact CB-OD1 3.32Å; S780-D782 PolarHBondContact O-N 3.19Å; S780-D782 PolarHBondContact OG-OD1 2.94Å; D782-S784 PolarHBondContact O-N 2.89Å; D782-S784 VanDerWaalsContact O-N 3.15Å; D782-S784 VanDerWaalsContact OD1-CB 3.32Å; D782-S784 WeakPolarHBondContact OD1-CB 3.28Å; D782-S784 PolarHBondContact OD1-N 3.45Å; D782-S784 WeakPolarHBondContact OD2-CB 3Å
783	G	69.7	Low	76.8	Confident	29 Å²	29	79.1 Å²	79.1	30%	0.299	42%	0.42	S	S	.	.	S	Bend	trans	67.3	3.6	-174.8	0	0	0	0	0	115.6	K779 S780 A781	K779-G783 WeakPolarHBondContact CE-O 3.48Å; S780-G783 WeakPolarHBondContact O-CA 3.37Å; S780-G783 PolarHBondContact O-N 3.27Å; A781-G783 PolarHBondContact O-N 3.01Å
784	S	70.6	Confident	77.4	Confident	36 Å²	36	83.1 Å²	83.1	25%	0.252	43%	0.429	S	S	.	.			trans	-77.2	-38	-169.7	-175.7	0	0	0	0	113.3	D782 K817	D782-S784 PolarHBondContact O-N 2.89Å; D782-S784 VanDerWaalsContact O-N 3.15Å; D782-S784 VanDerWaalsContact OD1-CB 3.32Å; D782-S784 WeakPolarHBondContact OD1-CB 3.28Å; D782-S784 PolarHBondContact OD1-N 3.45Å; D782-S784 WeakPolarHBondContact OD2-CB 3Å; S784-K817 PolarHBondContact O-N 2.92Å; S784-K817 PolarHBondContact OG-O 3.05Å
785	T	74.4	Confident	77.5	Confident	34 Å²	34	81.4 Å²	81.4	21%	0.209	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.8	175.1	53.5	0	0	0	0	111.5	K779 S780 F814 V815 Q816	K779-T785 WeakPolarHBondContact CA-O 3.22Å; K779-T785 WeakPolarHBondContact CG-O 3.32Å; S780-T785 WeakPolarHBondContact CB-OG1 3.37Å; S780-T785 PolarHBondContact N-O 2.95Å; S780-T785 VanDerWaalsContact N-O 3.07Å; T785-F814 HydrophobicContact CG2-CE2 4.19Å; T785-F814 HydrophobicContact CG2-CZ 3.85Å; T785-V815 WeakPolarHBondContact CA-O 3.44Å; T785-Q816 HydrophobicContact CG2-CB 4.03Å; T785-Q816 HydrophobicContact CG2-CG 3.75Å
786	L	73.8	Confident	77.1	Confident	66 Å²	66	75.2 Å²	75.2	35%	0.346	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.1	173	179.3	66.6	0	0	0	108.8	K779 F814 V815	K779-L786 HydrophobicContact CB-CD1 3.92Å; K779-L786 HydrophobicContact CD-CD1 4.41Å; K779-L786 HydrophobicContact CG-CD1 3.99Å; L786-F814 WeakPolarHBondContact O-CA 3.27Å; L786-V815 PolarHBondContact N-O 3.16Å; L786-V815 PolarHBondContact O-N 2.67Å
787	S	79.3	Confident	76.3	Confident	44 Å²	44	76.8 Å²	76.8	31%	0.308	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.7	172.1	-171.7	0	0	0	0	109.4	M777 E778 S813	M777-S787 CarbonylContact C-O 3.5Å; M777-S787 WeakPolarHBondContact CA-O 3.26Å; E778-S787 PolarHBondContact N-O 3.27Å; E778-S787 PolarHBondContact O-N 3.39Å; S787-S813 WeakPolarHBondContact CA-O 3.27Å
788	Q	81.6	Confident	75.5	Confident	67 Å²	67	71.4 Å²	71.4	31%	0.313	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.9	176.4	178.7	-177.6	-23.6	0	0	109.8	T790 T812 S813	Q788-T790 PolarHBondContact NE2-OG1 2.88Å; Q788-T812 CarbonylContact O-C 3.56Å; Q788-T812 WeakPolarHBondContact O-CA 3.49Å; Q788-S813 PolarHBondContact N-O 3.38Å; Q788-S813 PolarHBondContact O-N 3.32Å
789	V	83	Confident	74.7	Confident	50 Å²	50	74.8 Å²	74.8	30%	0.303	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	114	177.1	177.2	0	0	0	0	108.3	R775 K776 V810 T812	R775-V789 CarbonylContact C-O 3.49Å; R775-V789 WeakPolarHBondContact CA-O 3.41Å; K776-V789 PolarHBondContact N-O 3.47Å; K776-V789 PolarHBondContact O-N 3.21Å; V789-V810 HydrophobicContact CG1-CG1 4.44Å; V789-T812 HydrophobicContact CB-CG2 4.28Å; V789-T812 HydrophobicContact CG1-CG2 4.07Å; V789-T812 HydrophobicContact CG2-CG2 3.92Å
790	T	82.8	Confident	73.4	Confident	11 Å²	11	74.1 Å²	74.1	7%	0.067	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.4	175.9	-56.8	0	0	0	0	108.8	V773 M774 R775 Q788 E811	V773-T790 HydrophobicContact CG1-CG2 3.81Å; M774-T790 CarbonylContact O-C 3.6Å; R775-T790 HydrophobicContact CG-CG2 4.04Å; Q788-T790 PolarHBondContact NE2-OG1 2.88Å; T790-E811 PolarHBondContact N-O 2.96Å; T790-E811 PolarHBondContact O-N 3.13Å
791	K	86.8	Confident	72.6	Confident	101 Å²	101	74.7 Å²	74.7	44%	0.439	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.9	171.8	178.6	168.6	-176.6	176	0	110	M774 T808 V809 V810	M774-K791 HydrophobicContact CB-CB 4.48Å; M774-K791 PolarHBondContact N-O 3.35Å; M774-K791 PolarHBondContact O-N 3.04Å; K791-T808 HydrophobicContact CD-CG2 4.49Å; K791-T808 VanDerWaalsContact CE-CG2 3.5Å; K791-T808 HydrophobicContact CG-CG2 4.3Å; K791-V809 CarbonylContact C-O 3.59Å; K791-V809 WeakPolarHBondContact CA-O 3.33Å; K791-V810 HydrophobicContact CB-CG2 4.37Å; K791-V810 HydrophobicContact CD-CG2 4.21Å; K791-V810 HydrophobicContact CG-CG2 4.03Å
792	T	83.3	Confident	72	Confident	22 Å²	22	71.1 Å²	71.1	14%	0.135	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.2	175.9	-71	0	0	0	0	109.8	E771 V773 R794 T808 V809	E771-T792 HydrophobicContact CG-CG2 4.14Å; E771-T792 WeakPolarHBondContact OE1-CG2 3.27Å; V773-T792 HydrophobicContact CG2-CG2 4.28Å; T792-R794 HydrophobicContact CG2-CG 4.31Å; T792-T808 WeakPolarHBondContact O-CA 3.41Å; T792-V809 PolarHBondContact N-O 3.47Å; T792-V809 PolarHBondContact O-N 2.78Å; T792-V809 VanDerWaalsContact O-O 3.08Å
793	N	77.4	Confident	71.5	Confident	28 Å²	28	71.4 Å²	71.4	15%	0.15	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	111.7	-178.3	-155.3	30.1	0	0	0	111.5	V772 F795 H806 S807 T808	V772-N793 HydrophobicContact CB-CB 4.46Å; V772-N793 PolarHBondContact N-O 3.14Å; V772-N793 PolarHBondContact O-N 2.65Å; N793-F795 HydrophobicContact CB-CE2 4.24Å; N793-F795 VanDerWaalsContact ND2-CE2 3.32Å; N793-F795 WeakPolarHBondContact ND2-CE2 3.25Å; N793-F795 WeakPolarHBondContact ND2-CZ 3.49Å; N793-H806 PolarHBondContact OD1-NE2 2.67Å; N793-S807 PolarHBondContact OD1-O 2.71Å; N793-T808 PolarHBondContact OD1-OG1 2.97Å
794	R	83.9	Confident	71.4	Confident	139 Å²	139	72 Å²	72	53%	0.525	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.7	-174.7	-67.5	-178.3	175.1	-151.8	-12.5	110.9	E771 T792 S807	E771-R794 HydrophobicContact CB-CG 4.17Å; E771-R794 HydrophobicContact CG-CG 3.93Å; E771-R794 IonicContact OE1-CZ 3.31Å; E771-R794 IonicContact OE1-NE 3.8Å; E771-R794 PolarHBondContact OE1-NE 2.95Å; E771-R794 IonicContact OE1-NH2 2.64Å; E771-R794 PolarHBondContact OE1-NH2 3.28Å; E771-R794 IonicContact OE2-CZ 3.18Å; E771-R794 IonicContact OE2-NE 2.66Å; E771-R794 PolarHBondContact OE2-NE 3.27Å; E771-R794 IonicContact OE2-NH2 4Å; E771-R794 PolarHBondContact OE2-NH2 2.92Å; T792-R794 HydrophobicContact CG2-CG 4.31Å; R794-S807 PolarHBondContact N-O 2.7Å; R794-S807 PolarHBondContact O-N 3.05Å
795	F	74.3	Confident	71.3	Confident	92 Å²	92	73.6 Å²	73.6	40%	0.404	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.7	177.6	-61.1	-100.7	0	0	0	109.6	G770 V772 N793 H806	G770-F795 PolarHBondContact N-O 2.97Å; G770-F795 PolarHBondContact O-N 3.19Å; V772-F795 HydrophobicContact CG2-CE2 4.4Å; N793-F795 HydrophobicContact CB-CE2 4.24Å; N793-F795 VanDerWaalsContact ND2-CE2 3.32Å; N793-F795 WeakPolarHBondContact ND2-CE2 3.25Å; N793-F795 WeakPolarHBondContact ND2-CZ 3.49Å; F795-H806 AromaticContact CD1-CD2 3.54Å; F795-H806 AromaticContact CE1-CD2 3.28Å; F795-H806 WeakPolarHBondContact CE1-CD2 3.39Å; F795-H806 AromaticContact CZ-CD2 3.73Å
796	A	71.4	Confident	71.4	Confident	47 Å²	47	75.3 Å²	75.3	39%	0.388	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	173.3	0	0	0	0	0	109.8	T805	A796-T805 PolarHBondContact N-O 2.88Å; A796-T805 PolarHBondContact O-N 3.38Å
797	Q	61.5	Low	71.7	Confident	159 Å²	159	73.6 Å²	73.6	74%	0.743	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.7	172.5	-65.8	177.9	-4	0	0	107.6
798	S	64.6	Low	71.7	Confident	44 Å²	44	72.4 Å²	72.4	31%	0.308	39%	0.392	S	S	.	.			trans	-70.2	143.5	168.3	57	0	0	0	0	110	D800 G801 K803	S798-D800 PolarHBondContact O-N 3.38Å; S798-D800 VanDerWaalsContact O-N 3.11Å; S798-G801 WeakPolarHBondContact O-CA 3.36Å; S798-G801 PolarHBondContact O-N 3.49Å; S798-K803 PolarHBondContact N-O 3.11Å; S798-K803 PolarHBondContact OG-N 3.41Å; S798-K803 VanDerWaalsContact OG-N 3.13Å; S798-K803 PolarHBondContact OG-O 3.01Å; S798-K803 VanDerWaalsContact OG-O 3.13Å
799	D	52.3	Low	71.8	Confident	182 Å²	182	71.4 Å²	71.4	97%	0.973	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.7	178.1	-58.1	-71.8	0	0	0	113.6	G801	D799-G801 PolarHBondContact O-N 3.28Å
800	D	55.4	Low	71.9	Confident	127 Å²	127	70.9 Å²	70.9	68%	0.679	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.1	172.9	-178.6	67.1	0	0	0	114.2	S798 S802	S798-D800 PolarHBondContact O-N 3.38Å; S798-D800 VanDerWaalsContact O-N 3.11Å; D800-S802 PolarHBondContact O-N 2.87Å; D800-S802 WeakPolarHBondContact OD2-CB 3.25Å; D800-S802 PolarHBondContact OD2-OG 3.49Å
801	G	59.5	Low	72.1	Confident	61 Å²	61	75.4 Å²	75.4	63%	0.629	41%	0.407	S	S	*	.	S	Bend	trans	69.3	-19.8	-178	0	0	0	0	0	116.1	S798 D799 K803	S798-G801 WeakPolarHBondContact O-CA 3.36Å; S798-G801 PolarHBondContact O-N 3.49Å; D799-G801 PolarHBondContact O-N 3.28Å; G801-K803 PolarHBondContact O-N 2.88Å; G801-K803 VanDerWaalsContact O-N 3.14Å
802	S	56.1	Low	72	Confident	41 Å²	41	70.9 Å²	70.9	29%	0.287	39%	0.388	S	S	.	.	S	Bend	trans	-62.5	-19.3	-175.7	-65.4	0	0	0	0	115.7	D800 A838	D800-S802 PolarHBondContact O-N 2.87Å; D800-S802 WeakPolarHBondContact OD2-CB 3.25Å; D800-S802 PolarHBondContact OD2-OG 3.49Å; S802-A838 PolarHBondContact O-N 2.97Å
803	K	60.2	Low	71.8	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.8	-177	-58.4	-173.5	-179.9	169.5	0	112.1	S798 G801 N837	S798-K803 PolarHBondContact N-O 3.11Å; S798-K803 PolarHBondContact OG-N 3.41Å; S798-K803 VanDerWaalsContact OG-N 3.13Å; S798-K803 PolarHBondContact OG-O 3.01Å; S798-K803 VanDerWaalsContact OG-O 3.13Å; G801-K803 PolarHBondContact O-N 2.88Å; G801-K803 VanDerWaalsContact O-N 3.14Å; K803-N837 WeakPolarHBondContact CE-OD1 3.46Å; K803-N837 WeakPolarHBondContact CG-OD1 3.16Å
804	S	67.8	Low	71.9	Confident	40 Å²	40	73.8 Å²	73.8	28%	0.28	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.4	170.2	-173.2	0	0	0	0	109.8	S835 S836	S804-S835 WeakPolarHBondContact O-CA 3.5Å; S804-S836 PolarHBondContact N-O 3.29Å; S804-S836 PolarHBondContact O-N 2.87Å
805	T	69.1	Low	71.7	Confident	70 Å²	70	69.2 Å²	69.2	43%	0.429	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.1	-179.3	-44.7	0	0	0	0	109	A796	A796-T805 PolarHBondContact N-O 2.88Å; A796-T805 PolarHBondContact O-N 3.38Å
806	H	75.3	Confident	71.8	Confident	70 Å²	70	68.8 Å²	68.8	32%	0.324	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.5	-177.4	178.1	-106.7	0	0	0	109.6	N793 F795 T808 S833 S834	N793-H806 PolarHBondContact OD1-NE2 2.67Å; F795-H806 AromaticContact CD1-CD2 3.54Å; F795-H806 AromaticContact CE1-CD2 3.28Å; F795-H806 WeakPolarHBondContact CE1-CD2 3.39Å; F795-H806 AromaticContact CZ-CD2 3.73Å; H806-T808 PolarHBondContact NE2-OG1 3.39Å; H806-S833 CarbonylContact O-C 3.56Å; H806-S833 WeakPolarHBondContact O-CA 3.37Å; H806-S834 PolarHBondContact CE1-OG 3.18Å; H806-S834 PolarHBondContact N-O 3.23Å; H806-S834 PolarHBondContact O-N 2.83Å
807	S	80.4	Confident	71.8	Confident	30 Å²	30	72.7 Å²	72.7	21%	0.21	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125	-179.3	-168.3	0	0	0	0	111.3	N793 R794 S832 S833	N793-S807 PolarHBondContact OD1-O 2.71Å; R794-S807 PolarHBondContact N-O 2.7Å; R794-S807 PolarHBondContact O-N 3.05Å; S807-S832 CarbonylContact C-O 3.58Å; S807-S832 WeakPolarHBondContact CA-O 3.49Å; S807-S833 WeakPolarHBondContact CB-OG 3.39Å; S807-S833 PolarHBondContact OG-OG 2.72Å
808	T	78.3	Confident	71.8	Confident	19 Å²	19	68.1 Å²	68.1	12%	0.117	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.9	176.3	-57.1	0	0	0	0	109.5	K791 T792 N793 H806 V810 S832	K791-T808 HydrophobicContact CD-CG2 4.49Å; K791-T808 VanDerWaalsContact CE-CG2 3.5Å; K791-T808 HydrophobicContact CG-CG2 4.3Å; T792-T808 WeakPolarHBondContact O-CA 3.41Å; N793-T808 PolarHBondContact OD1-OG1 2.97Å; H806-T808 PolarHBondContact NE2-OG1 3.39Å; T808-V810 HydrophobicContact CG2-CG2 4.3Å; T808-S832 PolarHBondContact N-O 3.36Å; T808-S832 PolarHBondContact O-N 2.92Å
809	V	84.6	Confident	71.3	Confident	46 Å²	46	74.1 Å²	74.1	28%	0.279	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.3	170.4	179.9	0	0	0	0	107.8	K791 T792 F830 T831	K791-V809 CarbonylContact C-O 3.59Å; K791-V809 WeakPolarHBondContact CA-O 3.33Å; T792-V809 PolarHBondContact N-O 3.47Å; T792-V809 PolarHBondContact O-N 2.78Å; T792-V809 VanDerWaalsContact O-O 3.08Å; V809-F830 CarbonylContact C-O 3.57Å; V809-F830 WeakPolarHBondContact CA-O 3.44Å; V809-T831 HydrophobicContact CG1-CG2 4.27Å; V809-T831 HydrophobicContact CG2-CG2 4.1Å
810	V	84.9	Confident	71.6	Confident	40 Å²	40	76.3 Å²	76.3	24%	0.242	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.6	169.5	-177.9	0	0	0	0	107.3	V789 K791 T808 T812 S829 F830	V789-V810 HydrophobicContact CG1-CG1 4.44Å; K791-V810 HydrophobicContact CB-CG2 4.37Å; K791-V810 HydrophobicContact CD-CG2 4.21Å; K791-V810 HydrophobicContact CG-CG2 4.03Å; T808-V810 HydrophobicContact CG2-CG2 4.3Å; V810-T812 HydrophobicContact CG1-CG2 4.18Å; V810-S829 CarbonylContact O-C 3.59Å; V810-S829 WeakPolarHBondContact O-CA 3.4Å; V810-F830 PolarHBondContact N-O 2.79Å; V810-F830 PolarHBondContact O-N 3.38Å
811	E	86.9	Confident	71.7	Confident	105 Å²	105	73.4 Å²	73.4	49%	0.491	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.9	171.2	179.3	-179	-147.8	0	0	109	T790	T790-E811 PolarHBondContact N-O 2.96Å; T790-E811 PolarHBondContact O-N 3.13Å
812	T	84	Confident	71.3	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.037	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.6	179.3	61.6	0	0	0	0	110.5	Q788 V789 V810 S827 Y828	Q788-T812 CarbonylContact O-C 3.56Å; Q788-T812 WeakPolarHBondContact O-CA 3.49Å; V789-T812 HydrophobicContact CB-CG2 4.28Å; V789-T812 HydrophobicContact CG1-CG2 4.07Å; V789-T812 HydrophobicContact CG2-CG2 3.92Å; V810-T812 HydrophobicContact CG1-CG2 4.18Å; T812-S827 CarbonylContact O-C 3.59Å; T812-S827 WeakPolarHBondContact O-CA 3.37Å; T812-S827 VanDerWaalsContact O-CB 3.29Å; T812-S827 WeakPolarHBondContact O-CB 3.28Å; T812-Y828 HydrophobicContact CG2-CD2 4.41Å; T812-Y828 HydrophobicContact CG2-CE2 3.8Å; T812-Y828 PolarHBondContact N-O 2.87Å; T812-Y828 PolarHBondContact O-N 3.06Å; T812-Y828 WeakPolarHBondContact OG1-CD1 3.2Å; T812-Y828 WeakPolarHBondContact OG1-CD2 3.35Å; T812-Y828 WeakPolarHBondContact OG1-CE1 3.29Å; T812-Y828 WeakPolarHBondContact OG1-CE2 3.23Å; T812-Y828 PolarHBondContact OG1-O 3.15Å
813	S	80.3	Confident	71.7	Confident	38 Å²	38	76.2 Å²	76.2	27%	0.266	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.9	173.3	54.1	0	0	0	0	110.2	S787 Q788 K826	S787-S813 WeakPolarHBondContact CA-O 3.27Å; Q788-S813 PolarHBondContact N-O 3.38Å; Q788-S813 PolarHBondContact O-N 3.32Å; S813-K826 WeakPolarHBondContact CA-O 3.29Å
814	F	79.9	Confident	71.5	Confident	74 Å²	74	75.5 Å²	75.5	33%	0.325	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.9	175.1	176.9	-97.9	0	0	0	108.4	T785 L786 Q816 S825 K826	T785-F814 HydrophobicContact CG2-CE2 4.19Å; T785-F814 HydrophobicContact CG2-CZ 3.85Å; L786-F814 WeakPolarHBondContact O-CA 3.27Å; F814-Q816 HydrophobicContact CE1-CB 3.7Å; F814-Q816 HydrophobicContact CZ-CB 4.02Å; F814-S825 WeakPolarHBondContact O-CA 3.46Å; F814-K826 PolarHBondContact N-O 3.03Å; F814-K826 PolarHBondContact O-N 2.84Å
815	V	79.3	Confident	71.8	Confident	43 Å²	43	77.6 Å²	77.6	26%	0.261	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.3	178.9	-176.8	0	0	0	0	108.1	T785 L786 V823 Q824	T785-V815 WeakPolarHBondContact CA-O 3.44Å; L786-V815 PolarHBondContact N-O 3.16Å; L786-V815 PolarHBondContact O-N 2.67Å; V815-V823 HydrophobicContact CG1-CG1 3.52Å; V815-Q824 WeakPolarHBondContact CA-O 3.29Å
816	Q	75.1	Confident	71.8	Confident	82 Å²	82	80.5 Å²	80.5	38%	0.383	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.6	175.8	-179.7	165.9	17.5	0	0	109.1	T785 F814 Q824	T785-Q816 HydrophobicContact CG2-CB 4.03Å; T785-Q816 HydrophobicContact CG2-CG 3.75Å; F814-Q816 HydrophobicContact CE1-CB 3.7Å; F814-Q816 HydrophobicContact CZ-CB 4.02Å; Q816-Q824 PolarHBondContact N-O 2.83Å; Q816-Q824 PolarHBondContact O-N 3.45Å
817	K	71.4	Confident	71.4	Confident	130 Å²	130	81.6 Å²	81.6	57%	0.565	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.5	165.5	-63	-163.7	172.4	-172.3	0	108.6	S784 V823	S784-K817 PolarHBondContact O-N 2.92Å; S784-K817 PolarHBondContact OG-O 3.05Å; K817-V823 HydrophobicContact CG-CG2 4.19Å
818	T	63.3	Low	70.8	Confident	62 Å²	62	87.9 Å²	87.9	38%	0.38	46%	0.462	S	S	.	.			trans	-111.3	150.7	166.9	58.4	0	0	0	0	108.8	R820 G821 T822	T818-R820 PolarHBondContact O-N 3.06Å; T818-G821 PolarHBondContact O-N 2.91Å; T818-T822 PolarHBondContact N-O 3.26Å; T818-T822 WeakPolarHBondContact OG1-CB 3.38Å; T818-T822 PolarHBondContact OG1-O 2.84Å
819	D	52.6	Low	70.2	Confident	171 Å²	171	91.4 Å²	91.4	91%	0.914	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.5	-175.3	-172.2	49.7	0	0	0	113.4	G821	D819-G821 PolarHBondContact O-N 2.98Å
820	R	58.3	Low	69.5	Low	228 Å²	228	95.5 Å²	95.5	86%	0.86	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	36.1	175.3	-59.4	-175.8	179.5	179.8	-1.4	113.8	T818 T822	T818-R820 PolarHBondContact O-N 3.06Å; R820-T822 PolarHBondContact O-N 2.8Å; R820-T822 PolarHBondContact O-OG1 2.84Å
821	G	57.4	Low	68.8	Low	66 Å²	66	98.1 Å²	98.1	68%	0.68	52%	0.518	S	S	*	.	S	Bend	trans	62.5	-6.3	178.1	0	0	0	0	0	116.9	T818 D819 V823	T818-G821 PolarHBondContact O-N 2.91Å; D819-G821 PolarHBondContact O-N 2.98Å; G821-V823 PolarHBondContact O-N 2.74Å
822	T	52.9	Low	67.5	Low	84 Å²	84	95.8 Å²	95.8	52%	0.515	51%	0.513	S	S	.	.			trans	-81.4	122.2	-173.5	-60	0	0	0	0	110.1	T818 R820	T818-T822 PolarHBondContact N-O 3.26Å; T818-T822 WeakPolarHBondContact OG1-CB 3.38Å; T818-T822 PolarHBondContact OG1-O 2.84Å; R820-T822 PolarHBondContact O-N 2.8Å; R820-T822 PolarHBondContact O-OG1 2.84Å
823	V	62.7	Low	66.7	Low	77 Å²	77	99.8 Å²	99.8	47%	0.467	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.8	179.3	-171.5	0	0	0	0	109.4	V815 K817 G821	V815-V823 HydrophobicContact CG1-CG1 3.52Å; K817-V823 HydrophobicContact CG-CG2 4.19Å; G821-V823 PolarHBondContact O-N 2.74Å
824	Q	57.3	Low	65.3	Low	105 Å²	105	101 Å²	101	49%	0.491	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	127.3	167.7	-68.9	-162.7	17.8	0	0	109.8	V815 Q816	V815-Q824 WeakPolarHBondContact CA-O 3.29Å; Q816-Q824 PolarHBondContact N-O 2.83Å; Q816-Q824 PolarHBondContact O-N 3.45Å
825	S	73.8	Confident	64.1	Low	83 Å²	83	102 Å²	102	58%	0.58	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.8	134.3	172.3	-175.3	0	0	0	0	109.5	F814	F814-S825 WeakPolarHBondContact O-CA 3.46Å
826	K	69.3	Low	62.7	Low	132 Å²	132	103.6 Å²	103.6	57%	0.574	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-135.5	128.9	174.9	-69.3	173.9	-176.2	162.4	0	108.7	S813 F814	S813-K826 WeakPolarHBondContact CA-O 3.29Å; F814-K826 PolarHBondContact N-O 3.03Å; F814-K826 PolarHBondContact O-N 2.84Å
827	S	67.4	Low	61.2	Low	92 Å²	92	105.3 Å²	105.3	64%	0.643	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.4	148	172.9	51.7	0	0	0	0	111	T812	T812-S827 CarbonylContact O-C 3.59Å; T812-S827 WeakPolarHBondContact O-CA 3.37Å; T812-S827 VanDerWaalsContact O-CB 3.29Å; T812-S827 WeakPolarHBondContact O-CB 3.28Å
828	Y	66.3	Low	59.8	Low	163 Å²	163	102.8 Å²	102.8	64%	0.639	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.1	140.9	168.7	60	-86.2	0	0	0	110.1	T812	T812-Y828 HydrophobicContact CG2-CD2 4.41Å; T812-Y828 HydrophobicContact CG2-CE2 3.8Å; T812-Y828 PolarHBondContact N-O 2.87Å; T812-Y828 PolarHBondContact O-N 3.06Å; T812-Y828 WeakPolarHBondContact OG1-CD1 3.2Å; T812-Y828 WeakPolarHBondContact OG1-CD2 3.35Å; T812-Y828 WeakPolarHBondContact OG1-CE1 3.29Å; T812-Y828 WeakPolarHBondContact OG1-CE2 3.23Å; T812-Y828 PolarHBondContact OG1-O 3.15Å
829	S	66.4	Low	58.8	Low	92 Å²	92	105 Å²	105	64%	0.643	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.3	145.4	-179.1	58.5	0	0	0	0	110.8	V810	V810-S829 CarbonylContact O-C 3.59Å; V810-S829 WeakPolarHBondContact O-CA 3.4Å
830	F	69.1	Low	58.5	Low	133 Å²	133	107.1 Å²	107.1	58%	0.583	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-140.6	134.1	-177.6	178.3	-99.9	0	0	0	109.6	V809 V810 S832	V809-F830 CarbonylContact C-O 3.57Å; V809-F830 WeakPolarHBondContact CA-O 3.44Å; V810-F830 PolarHBondContact N-O 2.79Å; V810-F830 PolarHBondContact O-N 3.38Å; F830-S832 WeakPolarHBondContact CE1-OG 3.46Å; F830-S832 VanDerWaalsContact CZ-OG 3.32Å; F830-S832 WeakPolarHBondContact CZ-OG 3.5Å
831	T	71.3	Confident	57.4	Low	94 Å²	94	106.2 Å²	106.2	58%	0.577	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.9	149.7	-178.6	61.5	0	0	0	0	110.5	V809	V809-T831 HydrophobicContact CG1-CG2 4.27Å; V809-T831 HydrophobicContact CG2-CG2 4.1Å
832	S	60	Low	56.3	Low	57 Å²	57	109.6 Å²	109.6	40%	0.399	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-154	130.4	174.2	-74.9	0	0	0	0	109.8	S807 T808 F830	S807-S832 CarbonylContact C-O 3.58Å; S807-S832 WeakPolarHBondContact CA-O 3.49Å; T808-S832 PolarHBondContact N-O 3.36Å; T808-S832 PolarHBondContact O-N 2.92Å; F830-S832 WeakPolarHBondContact CE1-OG 3.46Å; F830-S832 VanDerWaalsContact CZ-OG 3.32Å; F830-S832 WeakPolarHBondContact CZ-OG 3.5Å
833	S	66.4	Low	55.3	Low	90 Å²	90	109 Å²	109	63%	0.629	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.5	144	179.7	-63.3	0	0	0	0	110.4	H806 S807	H806-S833 CarbonylContact O-C 3.56Å; H806-S833 WeakPolarHBondContact O-CA 3.37Å; S807-S833 WeakPolarHBondContact CB-OG 3.39Å; S807-S833 PolarHBondContact OG-OG 2.72Å
834	S	52.1	Low	53.8	Low	64 Å²	64	110.9 Å²	110.9	45%	0.448	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.4	134.6	178.9	55.3	0	0	0	0	110	H806	H806-S834 PolarHBondContact CE1-OG 3.18Å; H806-S834 PolarHBondContact N-O 3.23Å; H806-S834 PolarHBondContact O-N 2.83Å
835	S	54.8	Low	52.8	Low	95 Å²	95	112 Å²	112	66%	0.664	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.3	140.1	179.2	50.3	0	0	0	0	110.6	S804	S804-S835 WeakPolarHBondContact O-CA 3.5Å
836	S	49.4	Very low	50.7	Low	75 Å²	75	116.9 Å²	116.9	52%	0.524	68%	0.675	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127	118.8	176.7	60.6	0	0	0	0	110.6	S804	S804-S836 PolarHBondContact N-O 3.29Å; S804-S836 PolarHBondContact O-N 2.87Å
837	N	43.8	Very low	48.8	Very low	119 Å²	119	116.5 Å²	116.5	64%	0.636	68%	0.68	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.3	137.6	167.9	-64.4	-27.5	0	0	0	109.1	K803	K803-N837 WeakPolarHBondContact CE-OD1 3.46Å; K803-N837 WeakPolarHBondContact CG-OD1 3.16Å
838	A	41.4	Very low	47.4	Very low	77 Å²	77	121.6 Å²	121.6	64%	0.636	69%	0.685	S	S	*	*			trans	-122.6	102.9	173.1	0	0	0	0	0	110.6	S802	S802-A838 PolarHBondContact O-N 2.97Å
839	S	41.7	Very low	45.8	Very low	109 Å²	109	121 Å²	121	76%	0.762	69%	0.688	S	S	*	*			trans	-146.1	131.7	176.8	-52.3	0	0	0	0	110.6
840	K	46.6	Very low	43.9	Very low	215 Å²	215	124.6 Å²	124.6	94%	0.935	70%	0.7	S	S	*	*			trans	-97	124.5	175.6	-60.3	173.9	-176.9	173.8	0	109
841	K	34.8	Very low	42.3	Very low	208 Å²	208	124.5 Å²	124.5	90%	0.904	71%	0.706	S	S	*	*			trans	-150.9	144.5	160.6	-159.3	171.1	179.6	-177.5	0	111.3
842	V	34.5	Very low	40.4	Very low	137 Å²	137	126.4 Å²	126.4	83%	0.83	72%	0.717	S	S	*	*			trans	-87.9	141.8	173.9	166.8	0	0	0	0	109.8
843	G	32.4	Very low	39	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	73%	0.734	S	S	*	*			trans	53.8	108	147.6	0	0	0	0	0	119.3
844	S	30.6	Very low	38.5	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	74%	0.741	S	S	*	*			trans	-149.7	130.9	143.9	-158.2	0	0	0	0	109.2
845	V	36.9	Very low	37.4	Very low	128 Å²	128	139 Å²	139	78%	0.776	76%	0.764	S	S	*	*			trans	-138	164.2	173.1	172.5	0	0	0	0	105.9
846	F	28.9	Very low	36	Very low	185 Å²	185	138.1 Å²	138.1	81%	0.811	77%	0.77	S	S	*	*			trans	70.3	135.9	-151.7	-52.7	-82.8	0	0	0	110.9
847	D	29.3	Very low	35	Very low	125 Å²	125	138.5 Å²	138.5	67%	0.668	79%	0.787	S	S	*	*			cis	-148.7	154.4	-7.6	-117.7	-165	0	0	0	107.3
848	R	38.6	Very low	34.4	Very low	199 Å²	199	139.3 Å²	139.3	75%	0.751	80%	0.801	S	S	*	*				58.9	135	62.7	-90.9	-162.8	143.1	89.4	16.2	113.1
849	E	32.2	Very low	33.9	Very low	149 Å²	149	139 Å²	139	70%	0.696	81%	0.806	S	S	*	*			cis	-141.4	167.3	-20.4	-66	-177.3	148	0	0	106.2
850	D	27.5	Very low	33.3	Very low	169 Å²	169	137.2 Å²	137.2	90%	0.904	80%	0.804	S	S	*	*				179.8	165.7	124.5	-132.5	-35.3	0	0	0	112.8
851	D	35.5	Very low	32.7	Very low	131 Å²	131	135.1 Å²	135.1	70%	0.701	80%	0.803	S	S	*	*			trans	-107.1	160.8	-178.2	-142.7	-46	0	0	0	112.3
852	T	30.3	Very low	32.8	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	79%	0.79	S	S	*	*			trans	164.7	138.3	144.4	32.9	0	0	0	0	114.4
853	S	32	Very low	33.2	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	79%	0.785	S	S	*	*			trans	-124.2	-179.9	151.9	-62.9	0	0	0	0	107.2
854	P	55.4	Low	33.7	Very low	120 Å²	120	131 Å²	131	78%	0.779	79%	0.787	S	S	*	*			cis	-136.1	-156	-1.2	40	-19.4	0	0	0	113.2
855	R	28.6	Very low	34.3	Very low	246 Å²	246	132.1 Å²	132.1	93%	0.928	78%	0.784	S	S	*	*			trans	79.4	132.8	154.3	-158.4	-179.4	-169.4	173.4	2.2	115.8
856	G	26.1	Very low	34.8	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	78%	0.784	S	S	*	*			cis	-157	-167.9	-6.5	0	0	0	0	0	109
857	G	28.6	Very low	35.8	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	78%	0.784	S	S	*	*			cis	141.7	84.8	4.6	0	0	0	0	0	111.7
858	S	30.3	Very low	36.6	Very low	135 Å²	135	139.4 Å²	139.4	94%	0.944	79%	0.789	S	S	*	*			trans	-154	147.7	165.7	-172.2	0	0	0	0	109.6
859	G	30.4	Very low	37	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	78%	0.776	S	S	*	*			trans	176.6	-172.6	-174.7	0	0	0	0	0	115
860	G	28.8	Very low	37.7	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	77%	0.772	S	S	*	*			trans	86.9	150.2	-163	0	0	0	0	0	111
861	L	34.1	Very low	38.6	Very low	172 Å²	172	134.8 Å²	134.8	90%	0.901	77%	0.771	S	S	*	*			cis	-150.4	161.9	2.5	-73.3	176.2	0	0	0	107.2
862	S	37.8	Very low	39.2	Very low	90 Å²	90	139.5 Å²	139.5	63%	0.629	78%	0.779	S	S	*	*			cis	-163.2	149.7	-16.7	52.5	0	0	0	0	111.2	I864	S862-I864 VanDerWaalsContact C-N 3.3Å; S862-I864 PolarHBondContact O-N 3.36Å
863	A	42.5	Very low	40.1	Very low	89 Å²	89	140.8 Å²	140.8	74%	0.736	77%	0.773	S	S	*	*			trans	43.2	-26.1	139.8	0	0	0	0	0	124.7
864	I	43.6	Very low	40.7	Very low	153 Å²	153	143.1 Å²	143.1	79%	0.785	77%	0.772	S	S	*	*	S	Bend	trans	-71.6	-42.4	-172.2	-105.2	170.9	0	0	0	112.6	S862 R866 R867	S862-I864 VanDerWaalsContact C-N 3.3Å; S862-I864 PolarHBondContact O-N 3.36Å; I864-R866 PolarHBondContact O-N 3.28Å; I864-R867 PolarHBondContact O-N 3.28Å
865	D	42.1	Very low	40.1	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-69.2	-19.4	-174.2	-155.5	30.3	0	0	0	112.9	R867	D865-R867 VanDerWaalsContact C-N 3.28Å; D865-R867 PolarHBondContact O-N 2.84Å
866	R	48.5	Very low	40.9	Very low	207 Å²	207	141.8 Å²	141.8	78%	0.781	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-71.3	-19.2	-178.8	-158.9	166.3	-175.4	148.9	0.1	113.3	I864	I864-R866 PolarHBondContact O-N 3.28Å
867	R	49.9	Very low	41.9	Very low	215 Å²	215	148.7 Å²	148.7	81%	0.811	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-93.3	-10.8	-173.7	-133.8	174.6	-161.9	-101.5	-2.1	115.4	I864 D865	I864-R867 PolarHBondContact O-N 3.28Å; D865-R867 VanDerWaalsContact C-N 3.28Å; D865-R867 PolarHBondContact O-N 2.84Å
868	Q	46.8	Very low	42.8	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-23.1	172.1	-62.5	-162.1	11.3	0	0	112.9	E870	Q868-E870 PolarHBondContact O-N 3.31Å
869	A	45.2	Very low	43.9	Very low	57 Å²	57	151 Å²	151	47%	0.471	76%	0.764	S	S	.	*	S	Bend	trans	-74.4	-20.1	-177.7	0	0	0	0	0	115.1
870	E	47.5	Very low	44.1	Very low	130 Å²	130	154 Å²	154	61%	0.607	77%	0.768	S	S	*	*	S	Bend	trans	-87.4	-40.9	-174.5	-67.6	-172.6	140.1	0	0	113.5	Q868 R872 K873	Q868-E870 PolarHBondContact O-N 3.31Å; E870-R872 PolarHBondContact O-N 2.91Å; E870-K873 PolarHBondContact O-N 3.05Å
871	R	47	Very low	44.4	Very low	234 Å²	234	158.8 Å²	158.8	88%	0.883	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-12.4	-177	-167.6	-178.6	-90.8	-169.6	-5.3	113.8
872	R	48.3	Very low	44.9	Very low	229 Å²	229	156 Å²	156	86%	0.864	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	3.1	174.7	-147.2	177.1	-173.9	174.7	3.3	115	E870	E870-R872 PolarHBondContact O-N 2.91Å
873	K	49	Very low	45.1	Very low	160 Å²	160	161.9 Å²	161.9	70%	0.696	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-17.6	179.4	-75.8	-175.6	176	178.6	0	114.8	E870	E870-K873 PolarHBondContact O-N 3.05Å
874	E	43.8	Very low	45.3	Very low	158 Å²	158	162.5 Å²	162.5	74%	0.738	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-78.7	-40.1	-176.2	-163.3	153.1	-145.2	0	0	112.9	M876 R877	E874-M876 PolarHBondContact O-N 2.71Å; E874-R877 WeakPolarHBondContact O-CB 3.37Å; E874-R877 PolarHBondContact O-N 2.91Å; E874-R877 VanDerWaalsContact O-N 3.12Å
875	L	44.1	Very low	45.8	Very low	168 Å²	168	157.9 Å²	157.9	88%	0.88	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-73.6	9.3	179.8	-127.7	167.4	0	0	0	114.7
876	M	44.5	Very low	46.4	Very low	170 Å²	170	154.6 Å²	154.6	84%	0.837	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-124.5	6.9	173.6	-81	-85	173.6	0	0	112.4	E874 A878	E874-M876 PolarHBondContact O-N 2.71Å; M876-A878 VanDerWaalsContact C-N 3.32Å; M876-A878 PolarHBondContact O-N 2.94Å
877	R	47.9	Very low	46.3	Very low	222 Å²	222	152.1 Å²	152.1	84%	0.838	75%	0.747	S	S	*	*	S	Bend	trans	-82.6	-5.2	-178.5	-168.6	171.5	170.5	95.5	1.5	113.8	E874	E874-R877 WeakPolarHBondContact O-CB 3.37Å; E874-R877 PolarHBondContact O-N 2.91Å; E874-R877 VanDerWaalsContact O-N 3.12Å
878	A	47.4	Very low	46.9	Very low	94 Å²	94	148.1 Å²	148.1	78%	0.777	74%	0.738	S	S	*	*	S	Bend	trans	-116.1	28.8	-165.5	0	0	0	0	0	115.9	M876	M876-A878 VanDerWaalsContact C-N 3.32Å; M876-A878 PolarHBondContact O-N 2.94Å
879	Q	52.3	Low	47.5	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	72%	0.72	S	S	*	*	S	Bend	trans	-158	155.9	163.9	-118	174.9	32.4	0	0	114.5
880	T	34.9	Very low	48.3	Very low	136 Å²	136	148.6 Å²	148.6	83%	0.834	73%	0.731	S	S	*	*			trans	75	115.5	177.2	70.4	0	0	0	0	117.9
881	M	34.9	Very low	49	Very low	170 Å²	170	150 Å²	150	84%	0.837	74%	0.735	S	S	*	*			trans	-75.3	151.2	164.8	-69.7	-79.7	-82.2	0	0	110.8	K883	M881-K883 PolarHBondContact O-N 3.45Å; M881-K883 VanDerWaalsContact O-N 3.14Å
882	P	44.2	Very low	49.7	Very low	113 Å²	113	141.7 Å²	141.7	73%	0.734	72%	0.716	S	S	*	*			trans	-66	112.1	-179	-20.7	33.3	0	0	0	113.3	T884	P882-T884 VanDerWaalsContact C-N 3.34Å; P882-T884 PolarHBondContact O-N 2.75Å
883	K	42.9	Very low	50	Low	213 Å²	213	137.5 Å²	137.5	93%	0.926	71%	0.708	S	S	*	*			trans	-76.9	83.1	166.2	-73.5	-178.5	177.1	176.8	0	109.9	M881 S885	M881-K883 PolarHBondContact O-N 3.45Å; M881-K883 VanDerWaalsContact O-N 3.14Å; K883-S885 PolarHBondContact O-N 3.25Å
884	T	47.3	Very low	50.8	Low	103 Å²	103	134.5 Å²	134.5	63%	0.632	70%	0.699	S	S	*	*			trans	-58	130.9	170.4	54.1	0	0	0	0	110	P882 A886	P882-T884 VanDerWaalsContact C-N 3.34Å; P882-T884 PolarHBondContact O-N 2.75Å; T884-A886 PolarHBondContact O-N 2.93Å
885	S	53.3	Low	51.4	Low	56 Å²	56	132.9 Å²	132.9	39%	0.392	69%	0.691	S	S	.	*			trans	-62.1	134.4	177.7	73.2	0	0	0	0	110.4	K883 M887 Q888 A889	K883-S885 PolarHBondContact O-N 3.25Å; S885-M887 PolarHBondContact O-N 2.67Å; S885-Q888 PolarHBondContact O-N 2.73Å; S885-Q888 PolarHBondContact OG-OE1 2.91Å; S885-A889 PolarHBondContact O-N 3.47Å
886	A	54.6	Low	52	Low	70 Å²	70	131.5 Å²	131.5	58%	0.579	68%	0.678	S	S	*	*	H	α-helix	trans	-59.5	-18.5	-176.9	0	0	0	0	0	113.4	T884 R890	T884-A886 PolarHBondContact O-N 2.93Å; A886-R890 WeakPolarHBondContact O-CD 3.34Å; A886-R890 VanDerWaalsContact O-CG 3.28Å; A886-R890 WeakPolarHBondContact O-CG 3.49Å; A886-R890 PolarHBondContact O-N 3.44Å
887	M	47.1	Very low	52.3	Low	154 Å²	154	130 Å²	130	76%	0.759	67%	0.672	S	S	*	*	H	α-helix	trans	-69.9	-39.7	173.5	-150.2	77.1	74.6	0	0	112.6	S885 K891	S885-M887 PolarHBondContact O-N 2.67Å; M887-K891 PolarHBondContact O-N 2.85Å
888	Q	62.6	Low	52.2	Low	132 Å²	132	126.9 Å²	126.9	62%	0.617	67%	0.667	S	S	*	*	H	α-helix	trans	-75	-42.3	-178.3	-77.4	168.5	-53.4	0	0	111.9	S885 R890 K891 A892	S885-Q888 PolarHBondContact O-N 2.73Å; S885-Q888 PolarHBondContact OG-OE1 2.91Å; Q888-R890 VanDerWaalsContact C-N 3.31Å; Q888-R890 PolarHBondContact O-N 3.03Å; Q888-K891 PolarHBondContact O-N 3.28Å; Q888-A892 PolarHBondContact O-N 3.2Å
889	A	58.3	Low	52.1	Low	48 Å²	48	130.4 Å²	130.4	40%	0.397	67%	0.665	S	S	.	*	H	α-helix	trans	-59	-42.8	176.2	0	0	0	0	0	111.9	S885 A892 M893	S885-A889 PolarHBondContact O-N 3.47Å; A889-A892 PolarHBondContact O-N 2.95Å; A889-M893 PolarHBondContact O-N 3.05Å
890	R	61.8	Low	51.6	Low	186 Å²	186	129.9 Å²	129.9	70%	0.702	66%	0.663	S	S	*	*	H	α-helix	trans	-65.9	-38.3	176.1	-70.5	176.3	-175.4	-140.3	-0.4	112.5	A886 Q888 I894	A886-R890 WeakPolarHBondContact O-CD 3.34Å; A886-R890 VanDerWaalsContact O-CG 3.28Å; A886-R890 WeakPolarHBondContact O-CG 3.49Å; A886-R890 PolarHBondContact O-N 3.44Å; Q888-R890 VanDerWaalsContact C-N 3.31Å; Q888-R890 PolarHBondContact O-N 3.03Å; R890-I894 WeakPolarHBondContact O-CG1 3.5Å; R890-I894 PolarHBondContact O-N 3.44Å; R890-I894 VanDerWaalsContact O-N 3.17Å
891	K	62.6	Low	52	Low	160 Å²	160	126.8 Å²	126.8	70%	0.696	66%	0.658	S	S	*	*	H	α-helix	trans	-62.7	-47.6	172.9	-109.3	-161.8	168.2	-153.5	0	112.2	M887 Q888 M893 I894 E895	M887-K891 PolarHBondContact O-N 2.85Å; Q888-K891 PolarHBondContact O-N 3.28Å; K891-M893 VanDerWaalsContact C-N 3.34Å; K891-M893 PolarHBondContact O-N 3.36Å; K891-I894 PolarHBondContact O-N 2.76Å; K891-E895 WeakPolarHBondContact O-CB 3.29Å; K891-E895 PolarHBondContact O-N 3.49Å
892	A	61.3	Low	51.9	Low	60 Å²	60	122.7 Å²	122.7	50%	0.496	66%	0.659	S	S	.	*	H	α-helix	trans	-64.1	-35.7	-179	0	0	0	0	0	112.9	Q888 A889 K896	Q888-A892 PolarHBondContact O-N 3.2Å; A889-A892 PolarHBondContact O-N 2.95Å; A892-K896 WeakPolarHBondContact O-CB 3.26Å; A892-K896 PolarHBondContact O-N 3.39Å; A892-K896 VanDerWaalsContact O-N 3.08Å
893	M	55.1	Low	51.3	Low	141 Å²	141	120.3 Å²	120.3	70%	0.695	66%	0.656	S	S	*	*	H	α-helix	trans	-68.5	-40.1	173.3	-82.6	-176.3	155.8	0	0	113	A889 K891 K896 L897	A889-M893 PolarHBondContact O-N 3.05Å; K891-M893 VanDerWaalsContact C-N 3.34Å; K891-M893 PolarHBondContact O-N 3.36Å; M893-K896 PolarHBondContact O-N 2.86Å; M893-L897 WeakPolarHBondContact O-CG 3.47Å; M893-L897 PolarHBondContact O-N 3.25Å
894	I	65.2	Low	51.3	Low	96 Å²	96	117.2 Å²	117.2	49%	0.492	66%	0.657	S	S	.	*	H	α-helix	trans	-65.7	-47.4	176.6	-69	167.1	0	0	0	110.4	R890 K891 K896 L897 E898	R890-I894 WeakPolarHBondContact O-CG1 3.5Å; R890-I894 PolarHBondContact O-N 3.44Å; R890-I894 VanDerWaalsContact O-N 3.17Å; K891-I894 PolarHBondContact O-N 2.76Å; I894-K896 PolarHBondContact O-N 2.99Å; I894-L897 PolarHBondContact O-N 2.8Å; I894-L897 VanDerWaalsContact O-N 3.13Å; I894-E898 HydrophobicContact CG2-CG 4.4Å; I894-E898 WeakPolarHBondContact O-CG 3.45Å; I894-E898 PolarHBondContact O-N 3.2Å
895	E	57.7	Low	51	Low	124 Å²	124	115.1 Å²	115.1	58%	0.579	66%	0.656	S	S	*	*	H	α-helix	trans	-62.4	-29.5	178	-172.6	175	168.2	0	0	112.6	K891 K899	K891-E895 WeakPolarHBondContact O-CB 3.29Å; K891-E895 PolarHBondContact O-N 3.49Å; E895-K899 WeakPolarHBondContact O-CB 3.42Å
896	K	55.8	Low	50.1	Low	140 Å²	140	119.5 Å²	119.5	61%	0.609	68%	0.675	S	S	*	*	H	α-helix	trans	-73.8	-41.2	173.3	-164.9	176.8	179.5	-171.8	0	112.4	A892 M893 I894 K899 E900	A892-K896 WeakPolarHBondContact O-CB 3.26Å; A892-K896 PolarHBondContact O-N 3.39Å; A892-K896 VanDerWaalsContact O-N 3.08Å; M893-K896 PolarHBondContact O-N 2.86Å; I894-K896 PolarHBondContact O-N 2.99Å; K896-K899 PolarHBondContact O-N 2.98Å; K896-E900 PolarHBondContact O-N 3.29Å
897	L	51.1	Low	49.3	Very low	137 Å²	137	126.2 Å²	126.2	72%	0.717	70%	0.695	S	S	*	*	H	α-helix	trans	-66.8	-36.3	176.7	-74.2	166.3	0	0	0	112.7	M893 I894 K899	M893-L897 WeakPolarHBondContact O-CG 3.47Å; M893-L897 PolarHBondContact O-N 3.25Å; I894-L897 PolarHBondContact O-N 2.8Å; I894-L897 VanDerWaalsContact O-N 3.13Å; L897-K899 PolarHBondContact O-N 2.84Å
898	E	45.6	Very low	48.8	Very low	157 Å²	157	123 Å²	123	73%	0.734	69%	0.693	S	S	*	*	H	α-helix	trans	-69.3	-8.5	175.3	-71.1	-179.3	155.9	0	0	113.5	I894	I894-E898 HydrophobicContact CG2-CG 4.4Å; I894-E898 WeakPolarHBondContact O-CG 3.45Å; I894-E898 PolarHBondContact O-N 3.2Å
899	K	46.8	Very low	48	Very low	169 Å²	169	122.8 Å²	122.8	74%	0.735	70%	0.7	S	S	*	*	H	α-helix	trans	-117.2	-6.3	-170.9	-150.9	162.6	-171.7	170.7	0	115.6	E895 K896 L897	E895-K899 WeakPolarHBondContact O-CB 3.42Å; K896-K899 PolarHBondContact O-N 2.98Å; L897-K899 PolarHBondContact O-N 2.84Å
900	E	41.8	Very low	46.8	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	72%	0.723	S	S	*	*	H	α-helix	trans	-102.5	-7.2	170	-84.9	-177	121.4	0	0	113.8	K896	K896-E900 PolarHBondContact O-N 3.29Å
901	G	41.7	Very low	45.7	Very low	72 Å²	72	126.4 Å²	126.4	74%	0.742	73%	0.732	S	S	*	*			trans	-104.6	71.3	-180	0	0	0	0	0	114.3
902	G	32.9	Very low	44.9	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	73%	0.733	S	S	*	*			trans	-137.2	75.2	-169.4	0	0	0	0	0	117
903	G	32.9	Very low	43.8	Very low	64 Å²	64	128.8 Å²	128.8	66%	0.66	75%	0.748	S	S	*	*			trans	-102.1	142.7	161.4	0	0	0	0	0	111.2	G905	G903-G905 PolarHBondContact O-N 3.45Å
904	P	43.1	Very low	43	Very low	148 Å²	148	132 Å²	132	96%	0.961	76%	0.758	S	S	*	*	S	Bend	trans	-80.6	89.4	-165.8	31.5	-35.9	0	0	0	113.9
905	G	39.7	Very low	41.8	Very low	59 Å²	59	133.6 Å²	133.6	61%	0.608	77%	0.772	S	S	*	*			trans	-160.3	152.7	168.8	0	0	0	0	0	113.3	G903	G903-G905 PolarHBondContact O-N 3.45Å
906	N	35	Very low	41.2	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	79%	0.785	S	S	*	*			trans	70.5	41	167.8	-56.3	-36.8	0	0	0	119.4	A908	N906-A908 PolarHBondContact O-N 3.03Å
907	Q	37.5	Very low	40.4	Very low	211 Å²	211	140.7 Å²	140.7	99%	0.986	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	68.4	155.3	-81.5	-162.1	45.7	0	0	111.9
908	A	37.6	Very low	40.4	Very low	87 Å²	87	139 Å²	139	72%	0.719	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	-29.8	-179.3	0	0	0	0	0	115	N906	N906-A908 PolarHBondContact O-N 3.03Å
909	V	44.1	Very low	40.3	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	80%	0.8	S	S	*	*	S	Bend	trans	-108.1	-13.8	-166.9	-70.1	0	0	0	0	115.7	K911	V909-K911 PolarHBondContact O-N 3.2Å
910	A	33.4	Very low	40.4	Very low	107 Å²	107	134.4 Å²	134.4	88%	0.884	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	29.2	-172.1	0	0	0	0	0	115.9
911	K	39.3	Very low	40.2	Very low	203 Å²	203	135.8 Å²	135.8	88%	0.883	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-1.8	-176.5	-84.3	-177.4	177.3	172	0	116.3	V909	V909-K911 PolarHBondContact O-N 3.2Å
912	V	45.1	Very low	40.6	Very low	117 Å²	117	135.6 Å²	135.6	71%	0.709	80%	0.8	S	S	*	*	S	Bend	trans	-121.8	87.5	178.7	-174.8	0	0	0	0	110.8
913	N	39.2	Very low	41.4	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	79%	0.79	S	S	*	*			trans	176.9	79.7	146.1	-94.4	-27.5	0	0	0	111.5
914	K	37.1	Very low	42.7	Very low	210 Å²	210	137.7 Å²	137.7	91%	0.913	79%	0.785	S	S	*	*			trans	-95.1	100.4	163.4	-169.2	170.6	-176.5	175.6	0	108.6	Q916	K914-Q916 PolarHBondContact O-N 3.35Å; K914-Q916 VanDerWaalsContact O-N 3.15Å
915	V	40.1	Very low	44.2	Very low	128 Å²	128	135.1 Å²	135.1	78%	0.776	76%	0.763	S	S	*	*			trans	-61.1	112.8	-170.3	179.3	0	0	0	0	111.9	R917	V915-R917 PolarHBondContact O-N 2.74Å
916	Q	45.1	Very low	45.8	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	76%	0.758	S	S	*	*			trans	-75.5	117.2	168.3	-165.7	85	-7.8	0	0	108.6	K914 S918	K914-Q916 PolarHBondContact O-N 3.35Å; K914-Q916 VanDerWaalsContact O-N 3.15Å; Q916-S918 PolarHBondContact O-N 2.89Å
917	R	39.8	Very low	48.1	Very low	227 Å²	227	132.8 Å²	132.8	86%	0.857	75%	0.745	S	S	*	*			trans	-77.8	114.7	-172.5	179.1	179.5	-80.9	-178.3	-6.6	112	V915	V915-R917 PolarHBondContact O-N 2.74Å
918	S	51.2	Low	50.3	Low	102 Å²	102	125.3 Å²	125.3	71%	0.713	72%	0.716	S	S	*	*			trans	48.3	112.1	158.8	63.4	0	0	0	0	119.4	Q916	Q916-S918 PolarHBondContact O-N 2.89Å
919	T	42.3	Very low	52.7	Low	130 Å²	130	123.6 Å²	123.6	80%	0.798	69%	0.694	S	S	*	*			trans	-115.1	136	145.5	53.5	0	0	0	0	108.3
920	S	49	Very low	54.8	Low	99 Å²	99	119.7 Å²	119.7	69%	0.692	67%	0.667	S	S	*	*			trans	-74.6	168.3	-176.1	46.4	0	0	0	0	113.5
921	F	38.9	Very low	57.5	Low	191 Å²	191	119.4 Å²	119.4	84%	0.838	65%	0.647	S	S	*	*	S	Bend	trans	64.2	75.9	173.6	-64.4	-79.3	0	0	0	117.8	V923	F921-V923 PolarHBondContact O-N 2.83Å
922	G	48.9	Very low	60.1	Low	68 Å²	68	115.4 Å²	115.4	70%	0.701	63%	0.633	S	S	*	*	S	Bend		64.9	-5.5	124.6	0	0	0	0	0	120.7
923	V	49.8	Very low	62.3	Low	107 Å²	107	110.3 Å²	110.3	65%	0.648	60%	0.602	S	S	*	*	S	Bend	trans	-130.2	121.2	176.4	-177.7	0	0	0	0	106.3	F921 N925	F921-V923 PolarHBondContact O-N 2.83Å; V923-N925 PolarHBondContact O-N 2.93Å
924	P	60.4	Low	64.8	Low	84 Å²	84	103.4 Å²	103.4	55%	0.545	57%	0.565	S	S	.	*			trans	-59.9	131	173.4	-15.5	28.1	0	0	0	108.4	A926 I929	P924-A926 PolarHBondContact O-N 3.47Å; P924-I929 HydrophobicContact CB-CD1 4.3Å; P924-I929 HydrophobicContact CB-CG1 3.81Å; P924-I929 HydrophobicContact CG-CG1 4.42Å; P924-I929 WeakPolarHBondContact O-CD1 3.21Å
925	N	74.8	Confident	67.5	Low	94 Å²	94	97 Å²	97	50%	0.503	54%	0.54	S	S	.	.			trans	-45.7	132.3	178.6	175.2	-31.9	0	0	0	109.6	V923 N927 S928 I929	V923-N925 PolarHBondContact O-N 2.93Å; N925-N927 CarbonylContact O-C 3.6Å; N925-N927 PolarHBondContact O-N 3.41Å; N925-N927 PolarHBondContact OD1-N 3.23Å; N925-S928 PolarHBondContact N-OG 3.33Å; N925-S928 VanDerWaalsContact N-OG 3.14Å; N925-S928 WeakPolarHBondContact O-CA 3.39Å; N925-S928 WeakPolarHBondContact O-CB 3.34Å; N925-S928 PolarHBondContact O-N 2.87Å; N925-S928 PolarHBondContact O-OG 2.89Å; N925-I929 PolarHBondContact O-N 3.05Å
926	A	74.4	Confident	70	Confident	61 Å²	61	92.7 Å²	92.7	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-54.1	-26.3	-175.7	0	0	0	0	0	113.6	P924 K930	P924-A926 PolarHBondContact O-N 3.47Å; A926-K930 WeakPolarHBondContact O-CE 3.09Å; A926-K930 VanDerWaalsContact O-CG 3.29Å; A926-K930 WeakPolarHBondContact O-CG 3.34Å; A926-K930 PolarHBondContact O-N 3.14Å
927	N	82.6	Confident	72.3	Confident	97 Å²	97	83.9 Å²	83.9	52%	0.519	47%	0.469	S	S	.	.	H	α-helix	trans	-77.8	-30.3	172.6	-65.3	-21.5	0	0	0	113.1	N925 K930 Q931	N925-N927 CarbonylContact O-C 3.6Å; N925-N927 PolarHBondContact O-N 3.41Å; N925-N927 PolarHBondContact OD1-N 3.23Å; N927-K930 PolarHBondContact OD1-NZ 3.45Å; N927-Q931 WeakPolarHBondContact O-CG 3.47Å; N927-Q931 PolarHBondContact O-N 3.32Å
928	S	84.1	Confident	74.8	Confident	55 Å²	55	76.1 Å²	76.1	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-69.7	-34.5	169.7	70	0	0	0	0	112.9	N925 Q931 M932	N925-S928 PolarHBondContact N-OG 3.33Å; N925-S928 VanDerWaalsContact N-OG 3.14Å; N925-S928 WeakPolarHBondContact O-CA 3.39Å; N925-S928 WeakPolarHBondContact O-CB 3.34Å; N925-S928 PolarHBondContact O-N 2.87Å; N925-S928 PolarHBondContact O-OG 2.89Å; S928-Q931 PolarHBondContact O-N 3.26Å; S928-M932 WeakPolarHBondContact O-CB 3.46Å; S928-M932 PolarHBondContact O-N 3.06Å
929	I	87.9	Confident	76.7	Confident	50 Å²	50	74 Å²	74	26%	0.256	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-44.7	172.8	-57.4	178.3	0	0	0	110.2	P924 N925 Q931 M932 L933 Y1022	P924-I929 HydrophobicContact CB-CD1 4.3Å; P924-I929 HydrophobicContact CB-CG1 3.81Å; P924-I929 HydrophobicContact CG-CG1 4.42Å; P924-I929 WeakPolarHBondContact O-CD1 3.21Å; N925-I929 PolarHBondContact O-N 3.05Å; I929-Q931 PolarHBondContact O-N 3.48Å; I929-M932 HydrophobicContact CG2-CE 4.45Å; I929-M932 WeakPolarHBondContact O-CB 3.47Å; I929-M932 PolarHBondContact O-N 3.25Å; I929-L933 PolarHBondContact O-N 2.92Å; I929-Y1022 WeakPolarHBondContact CG2-OH 3.33Å
930	K	88.6	Confident	78.9	Confident	46 Å²	46	71 Å²	71	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-58.5	-45.5	173.9	-68.6	166.8	-156.5	167.6	0	112.4	A926 N927 L933 L934 F952 W1018 Y1022	A926-K930 WeakPolarHBondContact O-CE 3.09Å; A926-K930 VanDerWaalsContact O-CG 3.29Å; A926-K930 WeakPolarHBondContact O-CG 3.34Å; A926-K930 PolarHBondContact O-N 3.14Å; N927-K930 PolarHBondContact OD1-NZ 3.45Å; K930-L933 PolarHBondContact O-N 3.2Å; K930-L934 VanDerWaalsContact O-CB 3.28Å; K930-L934 WeakPolarHBondContact O-CB 3.45Å; K930-L934 PolarHBondContact O-N 2.9Å; K930-F952 HydrophobicContact CB-CE2 4.21Å; K930-F952 WeakPolarHBondContact O-CE2 3.26Å; K930-W1018 HydrophobicContact CD-CZ3 3.98Å; K930-Y1022 HydrophobicContact CB-CD2 4.48Å; K930-Y1022 HydrophobicContact CB-CE2 4.24Å; K930-Y1022 HydrophobicContact CG-CD2 3.85Å; K930-Y1022 HydrophobicContact CG-CE2 3.61Å
931	Q	90.1	Very high	80.9	Confident	101 Å²	101	66.4 Å²	66.4	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-40.1	177.2	-67.1	-61.9	-25	0	0	111.8	N927 S928 I929 L933 L934 D935	N927-Q931 WeakPolarHBondContact O-CG 3.47Å; N927-Q931 PolarHBondContact O-N 3.32Å; S928-Q931 PolarHBondContact O-N 3.26Å; I929-Q931 PolarHBondContact O-N 3.48Å; Q931-L933 PolarHBondContact O-N 3.49Å; Q931-L934 PolarHBondContact O-N 2.82Å; Q931-D935 WeakPolarHBondContact O-CB 3.47Å; Q931-D935 PolarHBondContact O-N 2.87Å
932	M	92.1	Very high	83.1	Confident	119 Å²	119	67 Å²	67	59%	0.586	37%	0.369	S	S	*	.	H	α-helix	trans	-58.7	-45.1	174	-177.9	-167.2	75.7	0	0	112.2	S928 I929 W936	S928-M932 WeakPolarHBondContact O-CB 3.46Å; S928-M932 PolarHBondContact O-N 3.06Å; I929-M932 HydrophobicContact CG2-CE 4.45Å; I929-M932 WeakPolarHBondContact O-CB 3.47Å; I929-M932 PolarHBondContact O-N 3.25Å; M932-W936 WeakPolarHBondContact O-CB 3.48Å; M932-W936 PolarHBondContact O-N 3.34Å
933	L	92.4	Very high	84.8	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	37%	0.368	C	S	.	.	H	α-helix	trans	-67.7	-37.6	176.4	-174.5	65.6	0	0	0	111.6	I929 K930 Q931 W936 C937 F952 Y1022 L1025 Y1029	I929-L933 PolarHBondContact O-N 2.92Å; K930-L933 PolarHBondContact O-N 3.2Å; Q931-L933 PolarHBondContact O-N 3.49Å; L933-W936 HydrophobicContact CD1-CE3 3.85Å; L933-W936 HydrophobicContact CD1-CZ3 4.26Å; L933-W936 PolarHBondContact O-N 3.43Å; L933-C937 PolarHBondContact O-N 2.79Å; L933-C937 PolarHBondContact O-SG 3.38Å; L933-F952 HydrophobicContact CB-CZ 4.07Å; L933-F952 HydrophobicContact CD2-CE1 4.31Å; L933-F952 HydrophobicContact CD2-CZ 4.14Å; L933-F952 HydrophobicContact CG-CE1 4.33Å; L933-F952 HydrophobicContact CG-CZ 4.07Å; L933-Y1022 HydrophobicContact CB-CE2 4.39Å; L933-Y1022 HydrophobicContact CD2-CD2 3.72Å; L933-Y1022 HydrophobicContact CD2-CE2 3.57Å; L933-L1025 HydrophobicContact CD2-CB 4.02Å; L933-Y1029 HydrophobicContact CD1-CD2 4.21Å; L933-Y1029 HydrophobicContact CD1-CG 4.25Å
934	L	92.4	Very high	86.6	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-44.1	178.7	-171.9	66	0	0	0	111.5	K930 Q931 W936 C937 R938 I949 F952	K930-L934 VanDerWaalsContact O-CB 3.28Å; K930-L934 WeakPolarHBondContact O-CB 3.45Å; K930-L934 PolarHBondContact O-N 2.9Å; Q931-L934 PolarHBondContact O-N 2.82Å; L934-W936 VanDerWaalsContact C-N 3.34Å; L934-C937 PolarHBondContact O-N 2.98Å; L934-R938 WeakPolarHBondContact O-CB 3.31Å; L934-R938 VanDerWaalsContact O-CG 3.27Å; L934-R938 WeakPolarHBondContact O-CG 3.42Å; L934-R938 PolarHBondContact O-N 3.18Å; L934-I949 HydrophobicContact CD1-CG2 3.77Å; L934-F952 HydrophobicContact CB-CE1 4.46Å; L934-F952 HydrophobicContact CB-CE2 3.87Å; L934-F952 HydrophobicContact CB-CZ 3.67Å; L934-F952 HydrophobicContact CD1-CD1 4.26Å; L934-F952 HydrophobicContact CD1-CD2 4.32Å; L934-F952 HydrophobicContact CD1-CE1 4.04Å; L934-F952 HydrophobicContact CD1-CE2 4.1Å; L934-F952 HydrophobicContact CD1-CG 4.41Å; L934-F952 HydrophobicContact CD1-CZ 3.96Å; L934-F952 HydrophobicContact CG-CE2 4.46Å; L934-F952 HydrophobicContact CG-CZ 4.42Å
935	D	92.7	Very high	87.4	Confident	74 Å²	74	68 Å²	68	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-70.2	-29.3	175.5	-74.1	-28.3	0	0	0	112.3	Q931 R938 A939	Q931-D935 WeakPolarHBondContact O-CB 3.47Å; Q931-D935 PolarHBondContact O-N 2.87Å; D935-R938 WeakPolarHBondContact OD1-CD 3.37Å; D935-R938 IonicContact OD1-CZ 2.73Å; D935-R938 IonicContact OD1-NE 2.88Å; D935-R938 IonicContact OD1-NH1 3.13Å; D935-R938 PolarHBondContact OD1-NH1 3.13Å; D935-A939 WeakPolarHBondContact O-CB 3.22Å; D935-A939 PolarHBondContact O-N 2.99Å
936	W	92.4	Very high	87.6	Confident	39 Å²	39	70.2 Å²	70.2	15%	0.148	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-48.2	168	174.8	88.1	0	0	0	111.8	M932 L933 L934 R938 A939 K940 L965 F969 F1028 Y1029 L1032 V1038	M932-W936 WeakPolarHBondContact O-CB 3.48Å; M932-W936 PolarHBondContact O-N 3.34Å; L933-W936 HydrophobicContact CD1-CE3 3.85Å; L933-W936 HydrophobicContact CD1-CZ3 4.26Å; L933-W936 PolarHBondContact O-N 3.43Å; L934-W936 VanDerWaalsContact C-N 3.34Å; W936-R938 PolarHBondContact O-N 3.42Å; W936-A939 PolarHBondContact O-N 2.81Å; W936-A939 VanDerWaalsContact O-N 3.11Å; W936-K940 HydrophobicContact CD2-CG 4.49Å; W936-K940 HydrophobicContact CZ2-CG 4.48Å; W936-K940 WeakPolarHBondContact O-CG 3.43Å; W936-K940 PolarHBondContact O-N 3.35Å; W936-L965 HydrophobicContact CH2-CD1 3.99Å; W936-L965 HydrophobicContact CH2-CD2 4.36Å; W936-L965 HydrophobicContact CZ3-CD1 3.89Å; W936-L965 HydrophobicContact CZ3-CD2 4.01Å; W936-L965 HydrophobicContact CZ3-CG 4.48Å; W936-F969 AromaticContact CH2-CE2 3.93Å; W936-F969 HydrophobicContact CH2-CE2 3.93Å; W936-F969 HydrophobicContact CH2-CZ 4.27Å; W936-F969 AromaticContact CZ2-CE2 3.62Å; W936-F969 HydrophobicContact CZ2-CE2 3.62Å; W936-F969 AromaticContact CZ2-CZ 3.48Å; W936-F969 HydrophobicContact CZ2-CZ 3.48Å; W936-F969 VanDerWaalsContact CZ2-CZ 3.48Å; W936-F1028 HydrophobicContact CH2-CD1 4.28Å; W936-F1028 HydrophobicContact CH2-CE1 4.35Å; W936-Y1029 AromaticContact CD1-CE2 3.96Å; W936-Y1029 AromaticContact CD2-CD2 3.75Å; W936-Y1029 HydrophobicContact CD2-CD2 3.75Å; W936-Y1029 HydrophobicContact CD2-CE2 4.02Å; W936-Y1029 AromaticContact CE2-CD2 3.53Å; W936-Y1029 AromaticContact CE2-CE2 3.72Å; W936-Y1029 HydrophobicContact CE3-CD2 4.01Å; W936-Y1029 HydrophobicContact CG-CD2 4.34Å; W936-Y1029 HydrophobicContact CG-CE2 4.17Å; W936-Y1029 AromaticContact CH2-CD2 3.9Å; W936-Y1029 HydrophobicContact CH2-CD2 3.9Å; W936-Y1029 AromaticContact CZ2-CD2 3.61Å; W936-Y1029 HydrophobicContact CZ2-CD2 3.61Å; W936-Y1029 HydrophobicContact CZ2-CE2 4.16Å; W936-Y1029 HydrophobicContact CZ3-CD2 4.08Å; W936-Y1029 AromaticContact NE1-CD2 3.99Å; W936-Y1029 AromaticContact NE1-CE2 3.67Å; W936-L1032 HydrophobicContact CH2-CD1 3.98Å; W936-L1032 HydrophobicContact CZ2-CD1 4.02Å; W936-V1038 HydrophobicContact CZ2-CG2 4.14Å
937	C	92.8	Very high	88.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56.3	-50.8	174.9	-68.9	0	0	0	0	110.7	L933 L934 A939 K940 T941 I949 W956	L933-C937 PolarHBondContact O-N 2.79Å; L933-C937 PolarHBondContact O-SG 3.38Å; L934-C937 PolarHBondContact O-N 2.98Å; C937-A939 VanDerWaalsContact C-N 3.32Å; C937-A939 PolarHBondContact O-N 2.96Å; C937-K940 CarbonylContact O-C 3.59Å; C937-K940 PolarHBondContact O-N 2.94Å; C937-T941 PolarHBondContact O-N 3.32Å; C937-T941 PolarHBondContact O-OG1 3.02Å; C937-I949 HydrophobicContact CB-CD1 3.93Å; C937-I949 HydrophobicContact CB-CG2 4.26Å; C937-W956 HydrophobicContact CB-CH2 4.14Å; C937-W956 HydrophobicContact CB-CZ2 4.06Å
938	R	92.6	Very high	88.3	Confident	64 Å²	64	68.4 Å²	68.4	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-54.5	-45.1	173.4	-72	165.2	176.1	159.4	1.3	112.4	L934 D935 W936 K940 T941 R942 I949 Q950	L934-R938 WeakPolarHBondContact O-CB 3.31Å; L934-R938 VanDerWaalsContact O-CG 3.27Å; L934-R938 WeakPolarHBondContact O-CG 3.42Å; L934-R938 PolarHBondContact O-N 3.18Å; D935-R938 WeakPolarHBondContact OD1-CD 3.37Å; D935-R938 IonicContact OD1-CZ 2.73Å; D935-R938 IonicContact OD1-NE 2.88Å; D935-R938 IonicContact OD1-NH1 3.13Å; D935-R938 PolarHBondContact OD1-NH1 3.13Å; W936-R938 PolarHBondContact O-N 3.42Å; R938-K940 PolarHBondContact O-N 3.12Å; R938-T941 PolarHBondContact O-N 2.74Å; R938-R942 WeakPolarHBondContact O-CB 3.48Å; R938-R942 WeakPolarHBondContact O-CG 3.45Å; R938-R942 PolarHBondContact O-N 3.35Å; R938-I949 HydrophobicContact CG-CB 4.15Å; R938-I949 VanDerWaalsContact CG-O 3.25Å; R938-I949 WeakPolarHBondContact CG-O 3.19Å; R938-I949 PolarHBondContact NE-O 3.31Å; R938-Q950 PolarHBondContact NH2-O 3.47Å
939	A	91.1	Very high	88.7	Confident	59 Å²	59	65.9 Å²	65.9	49%	0.488	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-25.2	179.9	0	0	0	0	0	112.7	D935 W936 C937	D935-A939 WeakPolarHBondContact O-CB 3.22Å; D935-A939 PolarHBondContact O-N 2.99Å; W936-A939 PolarHBondContact O-N 2.81Å; W936-A939 VanDerWaalsContact O-N 3.11Å; C937-A939 VanDerWaalsContact C-N 3.32Å; C937-A939 PolarHBondContact O-N 2.96Å
940	K	89.3	Confident	88.7	Confident	66 Å²	66	69.3 Å²	69.3	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-93.7	-23	178.2	-67.3	-47.5	-153.2	158.9	0	115.1	W936 C937 R938 L965 N968 F969	W936-K940 HydrophobicContact CD2-CG 4.49Å; W936-K940 HydrophobicContact CZ2-CG 4.48Å; W936-K940 WeakPolarHBondContact O-CG 3.43Å; W936-K940 PolarHBondContact O-N 3.35Å; C937-K940 CarbonylContact O-C 3.59Å; C937-K940 PolarHBondContact O-N 2.94Å; R938-K940 PolarHBondContact O-N 3.12Å; K940-L965 HydrophobicContact CB-CD1 3.78Å; K940-N968 WeakPolarHBondContact CD-ND2 3.21Å; K940-N968 PolarHBondContact O-OD1 2.92Å; K940-F969 HydrophobicContact CD-CZ 4.2Å; K940-F969 HydrophobicContact CG-CE2 4.17Å; K940-F969 HydrophobicContact CG-CZ 4.01Å
941	T	89.9	Confident	88.8	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-101.1	-0.9	175	68.7	0	0	0	0	114.5	C937 R938 S943 Y944 V947 I949 A964 L965	C937-T941 PolarHBondContact O-N 3.32Å; C937-T941 PolarHBondContact O-OG1 3.02Å; R938-T941 PolarHBondContact O-N 2.74Å; T941-S943 PolarHBondContact O-N 2.86Å; T941-Y944 PolarHBondContact O-N 3.24Å; T941-V947 HydrophobicContact CG2-CG1 4.19Å; T941-I949 HydrophobicContact CG2-CD1 3.59Å; T941-I949 VanDerWaalsContact OG1-CD1 3.26Å; T941-I949 WeakPolarHBondContact OG1-CD1 3.25Å; T941-A964 HydrophobicContact CG2-CB 3.88Å; T941-L965 HydrophobicContact CG2-CB 4.25Å; T941-L965 HydrophobicContact CG2-CD1 4.5Å
942	R	86.7	Confident	88.8	Confident	202 Å²	202	65.2 Å²	65.2	76%	0.762	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21	179.4	-103.8	168	-154.5	-120.4	5.7	116.1	R938	R938-R942 WeakPolarHBondContact O-CB 3.48Å; R938-R942 WeakPolarHBondContact O-CG 3.45Å; R938-R942 PolarHBondContact O-N 3.35Å
943	S	84.4	Confident	88.7	Confident	97 Å²	97	60.8 Å²	60.8	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.6	179.6	50.8	0	0	0	0	114.1	T941	T941-S943 PolarHBondContact O-N 2.86Å
944	Y	87.3	Confident	88.5	Confident	39 Å²	39	62.5 Å²	62.5	15%	0.153	31%	0.313	C	S	.	.	S	Bend	trans	-104.1	132.3	-172.9	-66.7	-94.6	0	0	0	111.1	T941 A964 H967 N968 Y976	T941-Y944 PolarHBondContact O-N 3.24Å; Y944-A964 HydrophobicContact CD1-CB 3.82Å; Y944-A964 HydrophobicContact CD2-CB 3.87Å; Y944-A964 HydrophobicContact CE1-CB 4.27Å; Y944-A964 HydrophobicContact CE2-CB 4.33Å; Y944-A964 HydrophobicContact CG-CB 3.59Å; Y944-H967 HydrophobicContact CE1-CB 4.27Å; Y944-H967 AromaticContact CE1-ND1 3.43Å; Y944-H967 WeakPolarHBondContact CE1-ND1 3.39Å; Y944-H967 AromaticContact CZ-ND1 3.59Å; Y944-H967 PolarHBondContact OH-ND1 2.66Å; Y944-N968 HydrophobicContact CE2-CB 4.09Å; Y944-N968 WeakPolarHBondContact OH-CA 3.37Å; Y944-N968 PolarHBondContact OH-N 2.95Å; Y944-N968 VanDerWaalsContact OH-N 3.1Å; Y944-Y976 AromaticContact CD1-CD1 3.71Å; Y944-Y976 HydrophobicContact CD1-CD1 3.71Å; Y944-Y976 AromaticContact CD1-CD2 4Å; Y944-Y976 HydrophobicContact CD1-CD2 4Å; Y944-Y976 AromaticContact CD1-CE1 3.61Å; Y944-Y976 HydrophobicContact CD1-CE1 3.61Å; Y944-Y976 AromaticContact CD1-CE2 3.9Å; Y944-Y976 HydrophobicContact CD1-CE2 3.9Å; Y944-Y976 AromaticContact CD1-CG 3.91Å; Y944-Y976 HydrophobicContact CD1-CG 3.91Å; Y944-Y976 AromaticContact CD1-CZ 3.7Å; Y944-Y976 HydrophobicContact CE1-CD1 4.12Å; Y944-Y976 HydrophobicContact CE1-CD2 4.1Å; Y944-Y976 HydrophobicContact CE1-CE1 4.45Å; Y944-Y976 HydrophobicContact CE1-CE2 4.42Å; Y944-Y976 AromaticContact CE1-CG 3.94Å; Y944-Y976 HydrophobicContact CE1-CG 3.94Å; Y944-Y976 HydrophobicContact CG-CE1 4.49Å
945	E	77.9	Confident	88.4	Confident	146 Å²	146	63.1 Å²	63.1	68%	0.682	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	152.6	173.3	-147.1	175.7	151.1	0	0	111	V947 Y976	E945-V947 PolarHBondContact O-N 2.72Å; E945-V947 VanDerWaalsContact O-N 3.12Å; E945-Y976 PolarHBondContact O-OH 3.05Å
946	H	77.3	Confident	88.4	Confident	140 Å²	140	59.6 Å²	59.6	65%	0.648	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	11.3	179.4	-43.7	-43.6	0	0	0	116.8
947	V	86.1	Confident	88.2	Confident	20 Å²	20	58.9 Å²	58.9	12%	0.121	30%	0.301	C	S	.	.			trans	-116.3	97.8	177.4	178	0	0	0	0	112.3	T941 E945 I949 M960 A961 A964 Y976	T941-V947 HydrophobicContact CG2-CG1 4.19Å; E945-V947 PolarHBondContact O-N 2.72Å; E945-V947 VanDerWaalsContact O-N 3.12Å; V947-I949 HydrophobicContact CG1-CD1 4.24Å; V947-I949 HydrophobicContact CG1-CG1 3.93Å; V947-M960 HydrophobicContact CG2-CB 3.9Å; V947-A961 HydrophobicContact CG1-CB 4.1Å; V947-A964 HydrophobicContact CG1-CB 4.38Å; V947-A964 HydrophobicContact CG2-CB 4.16Å; V947-Y976 WeakPolarHBondContact CG2-OH 3.29Å
948	D	86.9	Confident	88	Confident	100 Å²	100	60.7 Å²	60.7	54%	0.535	31%	0.31	S	S	.	.			trans	-109.1	108.9	169	-176.3	13.4	0	0	0	111.7	Q950 S955	D948-Q950 PolarHBondContact O-N 3.26Å; D948-Q950 VanDerWaalsContact OD2-CG 3.31Å; D948-Q950 WeakPolarHBondContact OD2-CG 3.32Å; D948-Q950 PolarHBondContact OD2-NE2 3.26Å; D948-S955 PolarHBondContact O-OG 3.3Å
949	I	91.1	Very high	87.8	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.299	C	S	.	.			trans	-90.1	83.3	-179.8	-54.9	-177.4	0	0	0	109.3	L934 C937 R938 T941 V947 W956 A961	L934-I949 HydrophobicContact CD1-CG2 3.77Å; C937-I949 HydrophobicContact CB-CD1 3.93Å; C937-I949 HydrophobicContact CB-CG2 4.26Å; R938-I949 HydrophobicContact CG-CB 4.15Å; R938-I949 VanDerWaalsContact CG-O 3.25Å; R938-I949 WeakPolarHBondContact CG-O 3.19Å; R938-I949 PolarHBondContact NE-O 3.31Å; T941-I949 HydrophobicContact CG2-CD1 3.59Å; T941-I949 VanDerWaalsContact OG1-CD1 3.26Å; T941-I949 WeakPolarHBondContact OG1-CD1 3.25Å; V947-I949 HydrophobicContact CG1-CD1 4.24Å; V947-I949 HydrophobicContact CG1-CG1 3.93Å; I949-W956 HydrophobicContact CD1-CH2 3.75Å; I949-W956 HydrophobicContact CD1-CZ2 3.73Å; I949-W956 HydrophobicContact CG1-CZ2 4.39Å; I949-W956 HydrophobicContact CG2-CZ2 3.65Å; I949-A961 HydrophobicContact CD1-CB 4.26Å; I949-A961 HydrophobicContact CG1-CB 4.3Å
950	Q	88.7	Confident	87.8	Confident	123 Å²	123	55.1 Å²	55.1	58%	0.575	28%	0.277	S	S	*	.			trans	-82.5	-29.9	175.4	-61.4	-164.3	8.3	0	0	112.8	R938 D948 S955	R938-Q950 PolarHBondContact NH2-O 3.47Å; D948-Q950 PolarHBondContact O-N 3.26Å; D948-Q950 VanDerWaalsContact OD2-CG 3.31Å; D948-Q950 WeakPolarHBondContact OD2-CG 3.32Å; D948-Q950 PolarHBondContact OD2-NE2 3.26Å; Q950-S955 PolarHBondContact N-OG 3.04Å
951	N	89.9	Confident	88	Confident	44 Å²	44	52 Å²	52	24%	0.235	26%	0.263	C	S	.	.	S	Bend	trans	-146.6	-175.3	-172.6	62.8	50.9	0	0	0	112.1	S953 S954 S955 W956	N951-S953 VanDerWaalsContact OD1-C 3.3Å; N951-S953 WeakPolarHBondContact OD1-CA 3.31Å; N951-S953 PolarHBondContact OD1-N 2.89Å; N951-S954 PolarHBondContact ND2-OG 2.88Å; N951-S954 PolarHBondContact OD1-N 3.1Å; N951-S955 PolarHBondContact OD1-N 3.33Å; N951-W956 PolarHBondContact O-NE1 2.94Å
952	F	90.9	Very high	88.2	Confident	16 Å²	16	52.1 Å²	52.1	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-103.4	14	173.2	-69.2	-63.6	0	0	0	113.6	K930 L933 L934 W1018 V1021 Y1022 L1025	K930-F952 HydrophobicContact CB-CE2 4.21Å; K930-F952 WeakPolarHBondContact O-CE2 3.26Å; L933-F952 HydrophobicContact CB-CZ 4.07Å; L933-F952 HydrophobicContact CD2-CE1 4.31Å; L933-F952 HydrophobicContact CD2-CZ 4.14Å; L933-F952 HydrophobicContact CG-CE1 4.33Å; L933-F952 HydrophobicContact CG-CZ 4.07Å; L934-F952 HydrophobicContact CB-CE1 4.46Å; L934-F952 HydrophobicContact CB-CE2 3.87Å; L934-F952 HydrophobicContact CB-CZ 3.67Å; L934-F952 HydrophobicContact CD1-CD1 4.26Å; L934-F952 HydrophobicContact CD1-CD2 4.32Å; L934-F952 HydrophobicContact CD1-CE1 4.04Å; L934-F952 HydrophobicContact CD1-CE2 4.1Å; L934-F952 HydrophobicContact CD1-CG 4.41Å; L934-F952 HydrophobicContact CD1-CZ 3.96Å; L934-F952 HydrophobicContact CG-CE2 4.46Å; L934-F952 HydrophobicContact CG-CZ 4.42Å; F952-W1018 HydrophobicContact CB-CB 3.96Å; F952-W1018 WeakPolarHBondContact O-CA 3.31Å; F952-V1021 HydrophobicContact CB-CG1 4.36Å; F952-V1021 HydrophobicContact CD1-CG1 4.47Å; F952-V1021 WeakPolarHBondContact O-CB 3.47Å; F952-V1021 VanDerWaalsContact O-CG1 3.3Å; F952-V1021 WeakPolarHBondContact O-CG1 3.35Å; F952-Y1022 HydrophobicContact CD2-CD2 4.32Å; F952-Y1022 AromaticContact CE2-CD2 3.91Å; F952-Y1022 HydrophobicContact CE2-CD2 3.91Å; F952-Y1022 HydrophobicContact CZ-CD2 4.06Å; F952-L1025 HydrophobicContact CD1-CD1 3.66Å; F952-L1025 HydrophobicContact CE1-CD1 3.72Å
953	S	89.4	Confident	88.4	Confident	27 Å²	27	42.5 Å²	42.5	19%	0.189	23%	0.227	C	C	.	.	S	Bend	trans	-120.9	-92.2	178.3	54.5	0	0	0	0	111.4	N951 S955 W956 P1016	N951-S953 VanDerWaalsContact OD1-C 3.3Å; N951-S953 WeakPolarHBondContact OD1-CA 3.31Å; N951-S953 PolarHBondContact OD1-N 2.89Å; S953-S955 VanDerWaalsContact C-N 3.28Å; S953-S955 PolarHBondContact O-N 3.03Å; S953-W956 PolarHBondContact O-N 3.35Å; S953-P1016 WeakPolarHBondContact CB-O 3.22Å; S953-P1016 WeakPolarHBondContact O-CD 3.3Å
954	S	89.1	Confident	88.8	Confident	44 Å²	44	37.9 Å²	37.9	31%	0.308	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-61.9	-29.8	-172.8	54.5	0	0	0	0	114	N951 W956 S957	N951-S954 PolarHBondContact ND2-OG 2.88Å; N951-S954 PolarHBondContact OD1-N 3.1Å; S954-W956 PolarHBondContact O-N 3.49Å; S954-W956 VanDerWaalsContact O-N 3.13Å; S954-S957 WeakPolarHBondContact O-CB 3.17Å; S954-S957 PolarHBondContact O-N 3.48Å; S954-S957 PolarHBondContact O-OG 2.82Å
955	S	90.6	Very high	89.1	Confident	21 Å²	21	36.1 Å²	36.1	15%	0.147	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-61.8	-16.2	173.2	-77.8	0	0	0	0	114.4	D948 Q950 N951 S953 A961	D948-S955 PolarHBondContact O-OG 3.3Å; Q950-S955 PolarHBondContact N-OG 3.04Å; N951-S955 PolarHBondContact OD1-N 3.33Å; S953-S955 VanDerWaalsContact C-N 3.28Å; S953-S955 PolarHBondContact O-N 3.03Å; S955-A961 WeakPolarHBondContact O-CB 3.15Å
956	W	91.5	Very high	89.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-108.2	-2.2	-178.8	-56.9	81	0	0	0	112.8	C937 I949 N951 S953 S954 N958 G959 A961 F962 L965 F988 V1021 L1025	C937-W956 HydrophobicContact CB-CH2 4.14Å; C937-W956 HydrophobicContact CB-CZ2 4.06Å; I949-W956 HydrophobicContact CD1-CH2 3.75Å; I949-W956 HydrophobicContact CD1-CZ2 3.73Å; I949-W956 HydrophobicContact CG1-CZ2 4.39Å; I949-W956 HydrophobicContact CG2-CZ2 3.65Å; N951-W956 PolarHBondContact O-NE1 2.94Å; S953-W956 PolarHBondContact O-N 3.35Å; S954-W956 PolarHBondContact O-N 3.49Å; S954-W956 VanDerWaalsContact O-N 3.13Å; W956-N958 PolarHBondContact O-N 2.86Å; W956-N958 VanDerWaalsContact O-N 3.15Å; W956-G959 PolarHBondContact O-N 2.93Å; W956-A961 HydrophobicContact CD2-CB 3.93Å; W956-A961 HydrophobicContact CE3-CB 3.57Å; W956-A961 HydrophobicContact CG-CB 4.48Å; W956-A961 HydrophobicContact CH2-CB 4.5Å; W956-A961 HydrophobicContact CZ3-CB 3.88Å; W956-A961 WeakPolarHBondContact CZ3-O 3.22Å; W956-F962 HydrophobicContact CB-CE2 3.92Å; W956-F962 HydrophobicContact CB-CZ 4.26Å; W956-F962 HydrophobicContact CD2-CE1 4.4Å; W956-F962 HydrophobicContact CD2-CE2 4.48Å; W956-F962 HydrophobicContact CD2-CZ 4.25Å; W956-F962 AromaticContact CE3-CD1 3.58Å; W956-F962 HydrophobicContact CE3-CD1 3.58Å; W956-F962 AromaticContact CE3-CD2 3.92Å; W956-F962 HydrophobicContact CE3-CD2 3.92Å; W956-F962 AromaticContact CE3-CE1 3.51Å; W956-F962 HydrophobicContact CE3-CE1 3.51Å; W956-F962 AromaticContact CE3-CE2 3.87Å; W956-F962 HydrophobicContact CE3-CE2 3.87Å; W956-F962 AromaticContact CE3-CG 3.78Å; W956-F962 HydrophobicContact CE3-CG 3.78Å; W956-F962 AromaticContact CE3-CZ 3.67Å; W956-F962 HydrophobicContact CE3-CZ 3.67Å; W956-F962 AromaticContact CZ3-CD1 3.65Å; W956-F962 HydrophobicContact CZ3-CD1 3.65Å; W956-F962 AromaticContact CZ3-CE1 3.84Å; W956-F962 HydrophobicContact CZ3-CE1 3.84Å; W956-F962 HydrophobicContact CZ3-CG 4.11Å; W956-F962 HydrophobicContact CZ3-CZ 4.46Å; W956-L965 HydrophobicContact CH2-CD2 4.15Å; W956-L965 HydrophobicContact CZ3-CD2 4.35Å; W956-F988 VanDerWaalsContact O-CE1 3.27Å; W956-F988 WeakPolarHBondContact O-CE1 3.01Å; W956-F988 WeakPolarHBondContact O-CZ 3.46Å; W956-V1021 HydrophobicContact CB-CG1 4.23Å; W956-V1021 HydrophobicContact CD2-CG1 3.98Å; W956-V1021 HydrophobicContact CG-CG1 3.74Å; W956-L1025 HydrophobicContact CD2-CD1 4.26Å; W956-L1025 HydrophobicContact CE3-CD1 4.36Å; W956-L1025 HydrophobicContact CE3-CD2 4.49Å; W956-L1025 HydrophobicContact CH2-CD1 3.58Å; W956-L1025 HydrophobicContact CH2-CD2 3.63Å; W956-L1025 HydrophobicContact CH2-CG 4.26Å; W956-L1025 HydrophobicContact CZ2-CD1 3.41Å; W956-L1025 VanDerWaalsContact CZ2-CD1 3.41Å; W956-L1025 HydrophobicContact CZ2-CD2 4.35Å; W956-L1025 HydrophobicContact CZ3-CD1 4.06Å; W956-L1025 HydrophobicContact CZ3-CD2 3.71Å; W956-L1025 HydrophobicContact CZ3-CG 4.47Å
957	S	88.9	Confident	90.5	Very high	25 Å²	25	24.5 Å²	24.5	18%	0.175	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.8	-173.2	64.9	0	0	0	0	115.6	S954 R984 R1014	S954-S957 WeakPolarHBondContact O-CB 3.17Å; S954-S957 PolarHBondContact O-N 3.48Å; S954-S957 PolarHBondContact O-OG 2.82Å; S957-R984 WeakPolarHBondContact O-CD 3.24Å; S957-R984 PolarHBondContact O-NH1 3.39Å; S957-R1014 WeakPolarHBondContact CB-O 3.44Å
958	N	87.5	Confident	90.7	Very high	37 Å²	37	25.8 Å²	25.8	20%	0.198	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.6	-176.8	67.7	-3.6	0	0	0	114.6	W956 M960 N987	W956-N958 PolarHBondContact O-N 2.86Å; W956-N958 VanDerWaalsContact O-N 3.15Å; N958-M960 PolarHBondContact O-N 3.4Å; N958-M960 PolarHBondContact OD1-N 2.96Å; N958-N987 PolarHBondContact O-ND2 3.39Å
959	G	89.5	Confident	90.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	74.3	-32.6	-174.1	0	0	0	0	0	114.9	W956 A961 F962 C963 F988	W956-G959 PolarHBondContact O-N 2.93Å; G959-A961 PolarHBondContact O-N 2.98Å; G959-A961 VanDerWaalsContact O-N 3.1Å; G959-F962 WeakPolarHBondContact O-CA 3.27Å; G959-F962 WeakPolarHBondContact O-CB 3.27Å; G959-F962 PolarHBondContact O-N 2.8Å; G959-C963 PolarHBondContact O-N 3.43Å; G959-C963 PolarHBondContact O-SG 3.4Å; G959-F988 VanDerWaalsContact CA-CE1 3.5Å
960	M	91.9	Very high	90.6	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-53.8	-35.6	-177.1	-57.6	-56.8	-65.4	0	0	113.5	V947 N958 F962 C963 A964 Y976 L979 P981 N987	V947-M960 HydrophobicContact CG2-CB 3.9Å; N958-M960 PolarHBondContact O-N 3.4Å; N958-M960 PolarHBondContact OD1-N 2.96Å; M960-F962 VanDerWaalsContact C-N 3.34Å; M960-F962 PolarHBondContact O-N 3.27Å; M960-C963 PolarHBondContact O-N 3.38Å; M960-A964 WeakPolarHBondContact O-CB 3.32Å; M960-A964 PolarHBondContact O-N 3.05Å; M960-Y976 HydrophobicContact CE-CE1 4.28Å; M960-Y976 HydrophobicContact CE-CE2 3.86Å; M960-L979 HydrophobicContact CE-CB 3.92Å; M960-L979 HydrophobicContact SD-CB 4.16Å; M960-P981 HydrophobicContact CG-CB 3.94Å; M960-N987 PolarHBondContact SD-ND2 3.37Å
961	A	93.1	Very high	90.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-33.8	176.3	0	0	0	0	0	113.4	V947 I949 S955 W956 G959 L965	V947-A961 HydrophobicContact CG1-CB 4.1Å; I949-A961 HydrophobicContact CD1-CB 4.26Å; I949-A961 HydrophobicContact CG1-CB 4.3Å; S955-A961 WeakPolarHBondContact O-CB 3.15Å; W956-A961 HydrophobicContact CD2-CB 3.93Å; W956-A961 HydrophobicContact CE3-CB 3.57Å; W956-A961 HydrophobicContact CG-CB 4.48Å; W956-A961 HydrophobicContact CH2-CB 4.5Å; W956-A961 HydrophobicContact CZ3-CB 3.88Å; W956-A961 WeakPolarHBondContact CZ3-O 3.22Å; G959-A961 PolarHBondContact O-N 2.98Å; G959-A961 VanDerWaalsContact O-N 3.1Å; A961-L965 WeakPolarHBondContact O-CB 3.41Å; A961-L965 PolarHBondContact O-N 3.28Å
962	F	92.6	Very high	90.4	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-73.1	-42.5	170.8	-68	-69.2	0	0	0	110.9	W956 G959 M960 L965 V966 F988 A991 F992 L1005 M1010 V1021 Y1024 L1025	W956-F962 HydrophobicContact CB-CE2 3.92Å; W956-F962 HydrophobicContact CB-CZ 4.26Å; W956-F962 HydrophobicContact CD2-CE1 4.4Å; W956-F962 HydrophobicContact CD2-CE2 4.48Å; W956-F962 HydrophobicContact CD2-CZ 4.25Å; W956-F962 AromaticContact CE3-CD1 3.58Å; W956-F962 HydrophobicContact CE3-CD1 3.58Å; W956-F962 AromaticContact CE3-CD2 3.92Å; W956-F962 HydrophobicContact CE3-CD2 3.92Å; W956-F962 AromaticContact CE3-CE1 3.51Å; W956-F962 HydrophobicContact CE3-CE1 3.51Å; W956-F962 AromaticContact CE3-CE2 3.87Å; W956-F962 HydrophobicContact CE3-CE2 3.87Å; W956-F962 AromaticContact CE3-CG 3.78Å; W956-F962 HydrophobicContact CE3-CG 3.78Å; W956-F962 AromaticContact CE3-CZ 3.67Å; W956-F962 HydrophobicContact CE3-CZ 3.67Å; W956-F962 AromaticContact CZ3-CD1 3.65Å; W956-F962 HydrophobicContact CZ3-CD1 3.65Å; W956-F962 AromaticContact CZ3-CE1 3.84Å; W956-F962 HydrophobicContact CZ3-CE1 3.84Å; W956-F962 HydrophobicContact CZ3-CG 4.11Å; W956-F962 HydrophobicContact CZ3-CZ 4.46Å; G959-F962 WeakPolarHBondContact O-CA 3.27Å; G959-F962 WeakPolarHBondContact O-CB 3.27Å; G959-F962 PolarHBondContact O-N 2.8Å; M960-F962 VanDerWaalsContact C-N 3.34Å; M960-F962 PolarHBondContact O-N 3.27Å; F962-L965 PolarHBondContact O-N 2.83Å; F962-V966 WeakPolarHBondContact O-CG2 3.36Å; F962-V966 PolarHBondContact O-N 3.06Å; F962-F988 AromaticContact CD2-CD1 3.86Å; F962-F988 HydrophobicContact CD2-CD1 3.86Å; F962-F988 AromaticContact CD2-CE1 3.77Å; F962-F988 HydrophobicContact CD2-CE1 3.77Å; F962-F988 HydrophobicContact CE2-CD1 4.17Å; F962-F988 AromaticContact CE2-CE1 3.83Å; F962-F988 HydrophobicContact CE2-CE1 3.83Å; F962-A991 HydrophobicContact CB-CB 3.75Å; F962-F992 HydrophobicContact CD1-CE1 4.11Å; F962-F992 HydrophobicContact CD2-CE1 4.07Å; F962-F992 HydrophobicContact CD2-CZ 4.36Å; F962-F992 HydrophobicContact CE1-CE1 4.25Å; F962-F992 HydrophobicContact CE2-CE1 4.2Å; F962-F992 HydrophobicContact CE2-CZ 4.18Å; F962-F992 HydrophobicContact CG-CE1 4.02Å; F962-F992 HydrophobicContact CZ-CE1 4.28Å; F962-F992 HydrophobicContact CZ-CZ 4.41Å; F962-L1005 HydrophobicContact CZ-CD1 3.97Å; F962-M1010 HydrophobicContact CE2-SD 3.98Å; F962-M1010 HydrophobicContact CZ-SD 4.44Å; F962-V1021 HydrophobicContact CZ-CG1 4.11Å; F962-Y1024 HydrophobicContact CD1-CD1 4.37Å; F962-Y1024 HydrophobicContact CD1-CE1 4.14Å; F962-Y1024 AromaticContact CE1-CD1 3.75Å; F962-Y1024 HydrophobicContact CE1-CD1 3.75Å; F962-Y1024 AromaticContact CE1-CE1 3.97Å; F962-Y1024 HydrophobicContact CE1-CE1 3.97Å; F962-L1025 HydrophobicContact CD1-CD2 4.26Å; F962-L1025 HydrophobicContact CE1-CD2 3.93Å; F962-L1025 HydrophobicContact CE1-CG 4.27Å
963	C	92.2	Very high	90.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-52.5	177.1	-55.4	0	0	0	0	111.7	G959 M960 L965 V966 H967 F974 Y976 L979 N987	G959-C963 PolarHBondContact O-N 3.43Å; G959-C963 PolarHBondContact O-SG 3.4Å; M960-C963 PolarHBondContact O-N 3.38Å; C963-L965 VanDerWaalsContact C-N 3.3Å; C963-L965 PolarHBondContact O-N 2.66Å; C963-V966 PolarHBondContact O-N 2.88Å; C963-H967 VanDerWaalsContact O-CB 3.25Å; C963-H967 WeakPolarHBondContact O-CB 3.45Å; C963-H967 PolarHBondContact O-N 2.94Å; C963-F974 HydrophobicContact CB-CE2 3.98Å; C963-F974 HydrophobicContact CB-CZ 4.18Å; C963-F974 WeakPolarHBondContact O-CZ 3.34Å; C963-Y976 HydrophobicContact CB-CD2 4.02Å; C963-Y976 HydrophobicContact CB-CE2 4Å; C963-L979 HydrophobicContact CB-CD1 3.8Å; C963-N987 PolarHBondContact SG-O 3.37Å
964	A	93	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-38.9	178.3	0	0	0	0	0	112.4	T941 Y944 V947 M960 N968 Y976	T941-A964 HydrophobicContact CG2-CB 3.88Å; Y944-A964 HydrophobicContact CD1-CB 3.82Å; Y944-A964 HydrophobicContact CD2-CB 3.87Å; Y944-A964 HydrophobicContact CE1-CB 4.27Å; Y944-A964 HydrophobicContact CE2-CB 4.33Å; Y944-A964 HydrophobicContact CG-CB 3.59Å; V947-A964 HydrophobicContact CG1-CB 4.38Å; V947-A964 HydrophobicContact CG2-CB 4.16Å; M960-A964 WeakPolarHBondContact O-CB 3.32Å; M960-A964 PolarHBondContact O-N 3.05Å; A964-N968 WeakPolarHBondContact O-CB 3.5Å; A964-N968 PolarHBondContact O-N 2.91Å; A964-Y976 HydrophobicContact CB-CD2 4.4Å; A964-Y976 HydrophobicContact CB-CE2 3.67Å
965	L	93	Very high	90.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-42.2	179	-173.7	67.7	0	0	0	112	W936 K940 T941 W956 A961 F962 C963 F969 L1025 F1028	W936-L965 HydrophobicContact CH2-CD1 3.99Å; W936-L965 HydrophobicContact CH2-CD2 4.36Å; W936-L965 HydrophobicContact CZ3-CD1 3.89Å; W936-L965 HydrophobicContact CZ3-CD2 4.01Å; W936-L965 HydrophobicContact CZ3-CG 4.48Å; K940-L965 HydrophobicContact CB-CD1 3.78Å; T941-L965 HydrophobicContact CG2-CB 4.25Å; T941-L965 HydrophobicContact CG2-CD1 4.5Å; W956-L965 HydrophobicContact CH2-CD2 4.15Å; W956-L965 HydrophobicContact CZ3-CD2 4.35Å; A961-L965 WeakPolarHBondContact O-CB 3.41Å; A961-L965 PolarHBondContact O-N 3.28Å; F962-L965 PolarHBondContact O-N 2.83Å; C963-L965 VanDerWaalsContact C-N 3.3Å; C963-L965 PolarHBondContact O-N 2.66Å; L965-F969 HydrophobicContact CD1-CE2 4.3Å; L965-F969 VanDerWaalsContact O-CD2 3.29Å; L965-F969 WeakPolarHBondContact O-CD2 3.32Å; L965-L1025 HydrophobicContact CD2-CD2 3.54Å; L965-F1028 HydrophobicContact CD2-CD1 3.96Å; L965-F1028 HydrophobicContact CD2-CE1 3.85Å; L965-F1028 HydrophobicContact CG-CD1 4.48Å; L965-F1028 HydrophobicContact CG-CE1 3.88Å
966	V	92.2	Very high	90.3	Very high	5 Å²	5	30 Å²	30	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-47.7	176.5	176.1	0	0	0	0	110.6	F962 C963 N968 F969 F970 F974 A994 A995 F1028	F962-V966 WeakPolarHBondContact O-CG2 3.36Å; F962-V966 PolarHBondContact O-N 3.06Å; C963-V966 PolarHBondContact O-N 2.88Å; V966-N968 VanDerWaalsContact C-N 3.27Å; V966-N968 PolarHBondContact O-N 3.26Å; V966-F969 PolarHBondContact O-N 3.26Å; V966-F970 HydrophobicContact CG1-CD2 4.35Å; V966-F970 PolarHBondContact O-N 2.92Å; V966-F974 HydrophobicContact CB-CE1 4.22Å; V966-F974 HydrophobicContact CB-CZ 4.13Å; V966-F974 HydrophobicContact CG1-CE1 3.84Å; V966-F974 HydrophobicContact CG1-CZ 4.22Å; V966-A994 HydrophobicContact CG1-CB 3.93Å; V966-A995 HydrophobicContact CG2-CB 4.2Å; V966-F1028 HydrophobicContact CG2-CE2 3.96Å; V966-F1028 HydrophobicContact CG2-CZ 3.87Å
967	H	91.9	Very high	90.1	Very high	38 Å²	38	37 Å²	37	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-33.9	178.7	-171.6	-95.5	0	0	0	112.7	Y944 C963 F969 F970 P971 F974	Y944-H967 HydrophobicContact CE1-CB 4.27Å; Y944-H967 AromaticContact CE1-ND1 3.43Å; Y944-H967 WeakPolarHBondContact CE1-ND1 3.39Å; Y944-H967 AromaticContact CZ-ND1 3.59Å; Y944-H967 PolarHBondContact OH-ND1 2.66Å; C963-H967 VanDerWaalsContact O-CB 3.25Å; C963-H967 WeakPolarHBondContact O-CB 3.45Å; C963-H967 PolarHBondContact O-N 2.94Å; H967-F969 PolarHBondContact O-N 3.24Å; H967-F970 CarbonylContact O-C 3.35Å; H967-F970 PolarHBondContact O-N 3.37Å; H967-P971 WeakPolarHBondContact O-CA 3.49Å; H967-P971 VanDerWaalsContact O-N 3.11Å; H967-F974 HydrophobicContact CB-CE2 4.1Å; H967-F974 HydrophobicContact CB-CZ 4.24Å; H967-F974 PolarHBondContact CD2-O 2.92Å
968	N	90.6	Very high	90	Very high	46 Å²	46	39.7 Å²	39.7	25%	0.246	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.4	173	166.6	90.6	0	0	0	113.7	K940 Y944 A964 V966	K940-N968 WeakPolarHBondContact CD-ND2 3.21Å; K940-N968 PolarHBondContact O-OD1 2.92Å; Y944-N968 HydrophobicContact CE2-CB 4.09Å; Y944-N968 WeakPolarHBondContact OH-CA 3.37Å; Y944-N968 PolarHBondContact OH-N 2.95Å; Y944-N968 VanDerWaalsContact OH-N 3.1Å; A964-N968 WeakPolarHBondContact O-CB 3.5Å; A964-N968 PolarHBondContact O-N 2.91Å; V966-N968 VanDerWaalsContact C-N 3.27Å; V966-N968 PolarHBondContact O-N 3.26Å
969	F	87.7	Confident	90	Very high	26 Å²	26	38.8 Å²	38.8	11%	0.114	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-25.5	177.4	-69	-76.4	0	0	0	113	W936 K940 L965 V966 H967 F1028 L1032 L1037 V1038	W936-F969 AromaticContact CH2-CE2 3.93Å; W936-F969 HydrophobicContact CH2-CE2 3.93Å; W936-F969 HydrophobicContact CH2-CZ 4.27Å; W936-F969 AromaticContact CZ2-CE2 3.62Å; W936-F969 HydrophobicContact CZ2-CE2 3.62Å; W936-F969 AromaticContact CZ2-CZ 3.48Å; W936-F969 HydrophobicContact CZ2-CZ 3.48Å; W936-F969 VanDerWaalsContact CZ2-CZ 3.48Å; K940-F969 HydrophobicContact CD-CZ 4.2Å; K940-F969 HydrophobicContact CG-CE2 4.17Å; K940-F969 HydrophobicContact CG-CZ 4.01Å; L965-F969 HydrophobicContact CD1-CE2 4.3Å; L965-F969 VanDerWaalsContact O-CD2 3.29Å; L965-F969 WeakPolarHBondContact O-CD2 3.32Å; V966-F969 PolarHBondContact O-N 3.26Å; H967-F969 PolarHBondContact O-N 3.24Å; F969-F1028 HydrophobicContact CD2-CE1 4.41Å; F969-L1032 HydrophobicContact CB-CD2 4.12Å; F969-L1032 HydrophobicContact CD1-CD1 4.17Å; F969-L1032 HydrophobicContact CD1-CD2 4.25Å; F969-L1032 HydrophobicContact CD2-CD1 3.53Å; F969-L1032 HydrophobicContact CD2-CD2 4.38Å; F969-L1032 HydrophobicContact CE1-CD1 4.12Å; F969-L1032 HydrophobicContact CE2-CD1 3.49Å; F969-L1032 VanDerWaalsContact CE2-CD1 3.49Å; F969-L1032 HydrophobicContact CG-CD1 3.9Å; F969-L1032 HydrophobicContact CG-CD2 4Å; F969-L1032 HydrophobicContact CZ-CD1 3.79Å; F969-L1037 HydrophobicContact CB-CD2 4.49Å; F969-L1037 HydrophobicContact CD1-CB 4.36Å; F969-V1038 HydrophobicContact CE1-CG2 3.65Å; F969-V1038 HydrophobicContact CZ-CG2 3.82Å
970	F	88.5	Confident	89.8	Confident	34 Å²	34	40.7 Å²	40.7	15%	0.149	23%	0.229	C	C	.	.			trans	-141.1	79.5	-178.4	-50.6	-81.1	0	0	0	109.6	V966 H967 D972 A973 L998 V999 L1032 L1037	V966-F970 HydrophobicContact CG1-CD2 4.35Å; V966-F970 PolarHBondContact O-N 2.92Å; H967-F970 CarbonylContact O-C 3.35Å; H967-F970 PolarHBondContact O-N 3.37Å; F970-D972 PolarHBondContact O-N 3.43Å; F970-A973 HydrophobicContact CB-CB 3.94Å; F970-A973 WeakPolarHBondContact O-CB 3.39Å; F970-A973 PolarHBondContact O-N 3.25Å; F970-L998 HydrophobicContact CB-CD1 3.66Å; F970-L998 HydrophobicContact CD1-CB 4.26Å; F970-L998 HydrophobicContact CD1-CD1 4.04Å; F970-L998 HydrophobicContact CD2-CB 4.22Å; F970-L998 HydrophobicContact CD2-CD1 4.06Å; F970-L998 HydrophobicContact CE1-CB 4.14Å; F970-L998 HydrophobicContact CE2-CB 4.1Å; F970-L998 HydrophobicContact CG-CB 4.3Å; F970-L998 HydrophobicContact CG-CD1 3.66Å; F970-L998 HydrophobicContact CZ-CB 4.05Å; F970-V999 HydrophobicContact CE2-CG2 3.42Å; F970-V999 VanDerWaalsContact CE2-CG2 3.42Å; F970-V999 HydrophobicContact CZ-CG2 3.77Å; F970-L1032 HydrophobicContact CE2-CD2 3.81Å; F970-L1032 HydrophobicContact CZ-CD2 4.02Å; F970-L1037 HydrophobicContact CD1-CD2 4.45Å; F970-L1037 HydrophobicContact CE1-CD1 4.27Å; F970-L1037 HydrophobicContact CE1-CD2 3.68Å; F970-L1037 HydrophobicContact CZ-CD1 3.98Å; F970-L1037 HydrophobicContact CZ-CD2 3.77Å
971	P	87.9	Confident	89.6	Confident	66 Å²	66	43.3 Å²	43.3	43%	0.429	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62	-35	177.9	25.3	-33.5	0	0	0	111.2	H967 A973	H967-P971 WeakPolarHBondContact O-CA 3.49Å; H967-P971 VanDerWaalsContact O-N 3.11Å; P971-A973 PolarHBondContact O-N 2.89Å
972	D	87.3	Confident	89.2	Confident	163 Å²	163	48.1 Å²	48.1	87%	0.872	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.9	2.6	179.2	-40.9	-55.9	0	0	0	114.1	F970	F970-D972 PolarHBondContact O-N 3.43Å
973	A	87.8	Confident	89	Confident	37 Å²	37	51.5 Å²	51.5	31%	0.306	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-79.9	-38.1	-177.6	0	0	0	0	0	113.6	F970 P971 A994 L998	F970-A973 HydrophobicContact CB-CB 3.94Å; F970-A973 WeakPolarHBondContact O-CB 3.39Å; F970-A973 PolarHBondContact O-N 3.25Å; P971-A973 PolarHBondContact O-N 2.89Å; A973-A994 HydrophobicContact CB-CB 4.27Å; A973-L998 HydrophobicContact CB-CD1 3.61Å
974	F	89.5	Confident	88.9	Confident	32 Å²	32	55 Å²	55	14%	0.14	31%	0.312	C	S	.	.	S	Bend	trans	-170.9	149.9	179.4	50.7	-96.2	0	0	0	109.4	C963 V966 H967 Y976 L979 V990 A994	C963-F974 HydrophobicContact CB-CE2 3.98Å; C963-F974 HydrophobicContact CB-CZ 4.18Å; C963-F974 WeakPolarHBondContact O-CZ 3.34Å; V966-F974 HydrophobicContact CB-CE1 4.22Å; V966-F974 HydrophobicContact CB-CZ 4.13Å; V966-F974 HydrophobicContact CG1-CE1 3.84Å; V966-F974 HydrophobicContact CG1-CZ 4.22Å; H967-F974 HydrophobicContact CB-CE2 4.1Å; H967-F974 HydrophobicContact CB-CZ 4.24Å; H967-F974 PolarHBondContact CD2-O 2.92Å; F974-Y976 PolarHBondContact O-N 3.35Å; F974-L979 HydrophobicContact CD2-CD1 3.78Å; F974-L979 HydrophobicContact CE2-CD1 3.83Å; F974-V990 HydrophobicContact CB-CG1 3.86Å; F974-V990 HydrophobicContact CD1-CG1 3.45Å; F974-V990 VanDerWaalsContact CD1-CG1 3.45Å; F974-V990 HydrophobicContact CD2-CG1 4.06Å; F974-V990 HydrophobicContact CE1-CG1 3.97Å; F974-V990 HydrophobicContact CG-CG1 3.51Å; F974-V990 HydrophobicContact CZ-CG1 4.49Å; F974-A994 HydrophobicContact CD1-CB 3.97Å; F974-A994 HydrophobicContact CE1-CB 3.77Å
975	D	90.3	Very high	88.8	Confident	96 Å²	96	60.2 Å²	60.2	51%	0.513	33%	0.332	S	S	.	.			trans	-69.9	112.1	173.5	175.9	-3.2	0	0	0	110.5	D977 S978	D975-D977 PolarHBondContact OD1-N 2.99Å; D975-S978 PolarHBondContact O-OG 2.83Å; D975-S978 PolarHBondContact OD1-N 3.44Å; D975-S978 VanDerWaalsContact OD1-N 3.15Å
976	Y	88.7	Confident	88.7	Confident	12 Å²	12	64.8 Å²	64.8	5%	0.047	35%	0.353	C	S	.	.	S	Bend	trans	-68.3	-36.1	177.5	179.3	-87.1	0	0	0	113.2	Y944 E945 V947 M960 C963 A964 F974 S978 L979	Y944-Y976 AromaticContact CD1-CD1 3.71Å; Y944-Y976 HydrophobicContact CD1-CD1 3.71Å; Y944-Y976 AromaticContact CD1-CD2 4Å; Y944-Y976 HydrophobicContact CD1-CD2 4Å; Y944-Y976 AromaticContact CD1-CE1 3.61Å; Y944-Y976 HydrophobicContact CD1-CE1 3.61Å; Y944-Y976 AromaticContact CD1-CE2 3.9Å; Y944-Y976 HydrophobicContact CD1-CE2 3.9Å; Y944-Y976 AromaticContact CD1-CG 3.91Å; Y944-Y976 HydrophobicContact CD1-CG 3.91Å; Y944-Y976 AromaticContact CD1-CZ 3.7Å; Y944-Y976 HydrophobicContact CE1-CD1 4.12Å; Y944-Y976 HydrophobicContact CE1-CD2 4.1Å; Y944-Y976 HydrophobicContact CE1-CE1 4.45Å; Y944-Y976 HydrophobicContact CE1-CE2 4.42Å; Y944-Y976 AromaticContact CE1-CG 3.94Å; Y944-Y976 HydrophobicContact CE1-CG 3.94Å; Y944-Y976 HydrophobicContact CG-CE1 4.49Å; E945-Y976 PolarHBondContact O-OH 3.05Å; V947-Y976 WeakPolarHBondContact CG2-OH 3.29Å; M960-Y976 HydrophobicContact CE-CE1 4.28Å; M960-Y976 HydrophobicContact CE-CE2 3.86Å; C963-Y976 HydrophobicContact CB-CD2 4.02Å; C963-Y976 HydrophobicContact CB-CE2 4Å; A964-Y976 HydrophobicContact CB-CD2 4.4Å; A964-Y976 HydrophobicContact CB-CE2 3.67Å; F974-Y976 PolarHBondContact O-N 3.35Å; Y976-S978 PolarHBondContact O-N 3.21Å; Y976-L979 WeakPolarHBondContact O-CB 3.4Å; Y976-L979 PolarHBondContact O-N 2.99Å
977	D	87.3	Confident	88.7	Confident	147 Å²	147	64.5 Å²	64.5	79%	0.786	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.4	-175.1	-65.3	-23.6	0	0	0	111.4	D975 L979	D975-D977 PolarHBondContact OD1-N 2.99Å; D977-L979 VanDerWaalsContact C-N 3.29Å
978	S	88.1	Confident	88.8	Confident	81 Å²	81	62.7 Å²	62.7	57%	0.566	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.5	167.5	80.3	0	0	0	0	114.7	D975 Y976	D975-S978 PolarHBondContact O-OG 2.83Å; D975-S978 PolarHBondContact OD1-N 3.44Å; D975-S978 VanDerWaalsContact OD1-N 3.15Å; Y976-S978 PolarHBondContact O-N 3.21Å
979	L	87.6	Confident	88.8	Confident	18 Å²	18	64.6 Å²	64.6	9%	0.094	35%	0.35	C	S	.	.			trans	-88.3	137.7	-173.7	-61.9	176.6	0	0	0	111.8	M960 C963 F974 Y976 D977	M960-L979 HydrophobicContact CE-CB 3.92Å; M960-L979 HydrophobicContact SD-CB 4.16Å; C963-L979 HydrophobicContact CB-CD1 3.8Å; F974-L979 HydrophobicContact CD2-CD1 3.78Å; F974-L979 HydrophobicContact CE2-CD1 3.83Å; Y976-L979 WeakPolarHBondContact O-CB 3.4Å; Y976-L979 PolarHBondContact O-N 2.99Å; D977-L979 VanDerWaalsContact C-N 3.29Å
980	S	85.7	Confident	89	Confident	39 Å²	39	65.3 Å²	65.3	27%	0.273	36%	0.357	S	S	.	.			trans	-114.9	141.9	178.9	72.7	0	0	0	0	112.1	S982 N983 N987	S980-S982 PolarHBondContact O-N 2.88Å; S980-N983 PolarHBondContact O-N 3.37Å; S980-N987 PolarHBondContact O-ND2 3.11Å; S980-N987 PolarHBondContact O-OD1 2.92Å
981	P	85.9	Confident	89.2	Confident	62 Å²	62	63.7 Å²	63.7	40%	0.403	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14	177.6	26.1	-34.9	0	0	0	113.6	M960 R984	M960-P981 HydrophobicContact CG-CB 3.94Å; P981-R984 WeakPolarHBondContact O-CG 3.29Å
982	S	85.9	Confident	89.4	Confident	100 Å²	100	60.7 Å²	60.7	70%	0.699	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-40.5	172.1	-57.3	0	0	0	0	112.4	S980 R984	S980-S982 PolarHBondContact O-N 2.88Å; S982-R984 PolarHBondContact O-N 2.83Å
983	N	88.4	Confident	89.6	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	31%	0.309	S	S	.	.			trans	-83.7	45.5	-171	-70.1	6.6	0	0	0	112.7	S980 R985 Q986 N987	S980-N983 PolarHBondContact O-N 3.37Å; N983-R985 PolarHBondContact O-N 2.82Å; N983-Q986 HydrophobicContact CB-CB 4.14Å; N983-Q986 PolarHBondContact ND2-OE1 3.03Å; N983-Q986 WeakPolarHBondContact O-CB 3.36Å; N983-Q986 PolarHBondContact O-N 3.21Å; N983-N987 VanDerWaalsContact O-CG 3.31Å; N983-N987 PolarHBondContact O-N 3.48Å; N983-N987 PolarHBondContact O-OD1 2.63Å
984	R	90.2	Very high	89.7	Confident	74 Å²	74	54.6 Å²	54.6	28%	0.279	30%	0.298	S	S	.	.	H	α-helix	trans	-47.4	-41.4	-169.4	-55.2	-167.8	-59.3	119.4	1.9	113.9	S957 P981 S982 N987 F988 V1011	S957-R984 WeakPolarHBondContact O-CD 3.24Å; S957-R984 PolarHBondContact O-NH1 3.39Å; P981-R984 WeakPolarHBondContact O-CG 3.29Å; S982-R984 PolarHBondContact O-N 2.83Å; R984-N987 PolarHBondContact O-N 3Å; R984-F988 HydrophobicContact CB-CE2 4.26Å; R984-F988 WeakPolarHBondContact O-CD2 3.45Å; R984-F988 PolarHBondContact O-N 2.79Å; R984-F988 VanDerWaalsContact O-N 3.1Å; R984-V1011 PolarHBondContact NH1-O 2.93Å; R984-V1011 PolarHBondContact NH2-O 3.19Å
985	R	91	Very high	89.8	Confident	109 Å²	109	53.1 Å²	53.1	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-56.5	176.1	-170.1	-168	-178.2	93.7	15.2	111.8	N983 N987 F988 E989 V1007 D1008 V1011	N983-R985 PolarHBondContact O-N 2.82Å; R985-N987 VanDerWaalsContact C-N 3.26Å; R985-N987 PolarHBondContact O-N 3.08Å; R985-F988 PolarHBondContact O-N 2.58Å; R985-E989 IonicContact NE-OE2 3.24Å; R985-E989 PolarHBondContact NE-OE2 2.89Å; R985-E989 IonicContact NH2-OE2 3.78Å; R985-E989 WeakPolarHBondContact O-CB 3.33Å; R985-E989 PolarHBondContact O-N 3.3Å; R985-V1007 HydrophobicContact CG-CG1 3.8Å; R985-D1008 IonicContact CZ-OD1 3.05Å; R985-D1008 IonicContact CZ-OD2 3.85Å; R985-D1008 VanDerWaalsContact NH1-CG 3.29Å; R985-D1008 IonicContact NH1-OD1 3.17Å; R985-D1008 PolarHBondContact NH1-OD1 2.92Å; R985-D1008 IonicContact NH1-OD2 2.97Å; R985-D1008 PolarHBondContact NH1-OD2 3.18Å; R985-D1008 IonicContact NH2-OD1 2.7Å; R985-D1008 IonicContact NH2-OD2 2.71Å; R985-D1008 PolarHBondContact NH2-OD2 2.89Å; R985-V1011 HydrophobicContact CB-CG2 3.83Å; R985-V1011 HydrophobicContact CG-CG2 4.24Å
986	Q	91.4	Very high	89.8	Confident	97 Å²	97	52.6 Å²	52.6	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-56.4	-42.6	179.2	-173.5	-176.5	1.1	0	0	110.9	N983 E989 V990	N983-Q986 HydrophobicContact CB-CB 4.14Å; N983-Q986 PolarHBondContact ND2-OE1 3.03Å; N983-Q986 WeakPolarHBondContact O-CB 3.36Å; N983-Q986 PolarHBondContact O-N 3.21Å; Q986-E989 PolarHBondContact O-N 3.36Å; Q986-V990 HydrophobicContact CG-CG2 4.25Å; Q986-V990 VanDerWaalsContact O-CB 3.31Å; Q986-V990 WeakPolarHBondContact O-CB 3.36Å; Q986-V990 VanDerWaalsContact O-CG2 3.26Å; Q986-V990 WeakPolarHBondContact O-CG2 3.4Å; Q986-V990 PolarHBondContact O-N 3.13Å
987	N	91.9	Very high	89.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-48.2	179.5	-57.6	-13.1	0	0	0	112	N958 M960 C963 S980 N983 R984 R985 A991	N958-N987 PolarHBondContact O-ND2 3.39Å; M960-N987 PolarHBondContact SD-ND2 3.37Å; C963-N987 PolarHBondContact SG-O 3.37Å; S980-N987 PolarHBondContact O-ND2 3.11Å; S980-N987 PolarHBondContact O-OD1 2.92Å; N983-N987 VanDerWaalsContact O-CG 3.31Å; N983-N987 PolarHBondContact O-N 3.48Å; N983-N987 PolarHBondContact O-OD1 2.63Å; R984-N987 PolarHBondContact O-N 3Å; R985-N987 VanDerWaalsContact C-N 3.26Å; R985-N987 PolarHBondContact O-N 3.08Å; N987-A991 WeakPolarHBondContact O-CB 3.44Å; N987-A991 PolarHBondContact O-N 3.44Å
988	F	92.4	Very high	89.7	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175.2	-67.6	-60.5	0	0	0	111.9	W956 G959 F962 R984 R985 A991 F992 V1007 M1010 V1011	W956-F988 VanDerWaalsContact O-CE1 3.27Å; W956-F988 WeakPolarHBondContact O-CE1 3.01Å; W956-F988 WeakPolarHBondContact O-CZ 3.46Å; G959-F988 VanDerWaalsContact CA-CE1 3.5Å; F962-F988 AromaticContact CD2-CD1 3.86Å; F962-F988 HydrophobicContact CD2-CD1 3.86Å; F962-F988 AromaticContact CD2-CE1 3.77Å; F962-F988 HydrophobicContact CD2-CE1 3.77Å; F962-F988 HydrophobicContact CE2-CD1 4.17Å; F962-F988 AromaticContact CE2-CE1 3.83Å; F962-F988 HydrophobicContact CE2-CE1 3.83Å; R984-F988 HydrophobicContact CB-CE2 4.26Å; R984-F988 WeakPolarHBondContact O-CD2 3.45Å; R984-F988 PolarHBondContact O-N 2.79Å; R984-F988 VanDerWaalsContact O-N 3.1Å; R985-F988 PolarHBondContact O-N 2.58Å; F988-A991 PolarHBondContact O-N 3.23Å; F988-F992 HydrophobicContact CB-CE2 4.3Å; F988-F992 HydrophobicContact CD1-CE2 4.48Å; F988-F992 HydrophobicContact CD1-CZ 4.13Å; F988-F992 WeakPolarHBondContact O-CB 3.29Å; F988-F992 VanDerWaalsContact O-CG 3.27Å; F988-F992 WeakPolarHBondContact O-CG 3.35Å; F988-F992 PolarHBondContact O-N 3.35Å; F988-V1007 HydrophobicContact CB-CG1 4.1Å; F988-V1007 HydrophobicContact CB-CG2 4.18Å; F988-M1010 HydrophobicContact CD1-CB 4.1Å; F988-M1010 HydrophobicContact CD1-CG 4.47Å; F988-M1010 HydrophobicContact CD1-SD 4.04Å; F988-M1010 HydrophobicContact CD2-CB 3.83Å; F988-M1010 HydrophobicContact CE1-CB 3.98Å; F988-M1010 HydrophobicContact CE1-CE 4.23Å; F988-M1010 HydrophobicContact CE1-CG 4.44Å; F988-M1010 HydrophobicContact CE1-SD 3.77Å; F988-M1010 HydrophobicContact CE2-CB 3.71Å; F988-M1010 HydrophobicContact CG-CB 4.05Å; F988-M1010 HydrophobicContact CZ-CB 3.79Å; F988-M1010 HydrophobicContact CZ-CE 4.41Å; F988-M1010 HydrophobicContact CZ-SD 4.36Å; F988-V1011 HydrophobicContact CD2-CG2 3.82Å; F988-V1011 HydrophobicContact CE2-CG2 4.14Å
989	E	92.3	Very high	89.6	Confident	85 Å²	85	52.3 Å²	52.3	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-67.2	-40.4	-175.1	-156.5	157.5	170	0	0	111.8	R985 Q986 S993 V1007	R985-E989 IonicContact NE-OE2 3.24Å; R985-E989 PolarHBondContact NE-OE2 2.89Å; R985-E989 IonicContact NH2-OE2 3.78Å; R985-E989 WeakPolarHBondContact O-CB 3.33Å; R985-E989 PolarHBondContact O-N 3.3Å; Q986-E989 PolarHBondContact O-N 3.36Å; E989-S993 WeakPolarHBondContact O-CB 3.12Å; E989-S993 PolarHBondContact O-N 3.04Å; E989-S993 PolarHBondContact O-OG 2.93Å; E989-V1007 HydrophobicContact CB-CG1 4.2Å; E989-V1007 HydrophobicContact CB-CG2 4.19Å; E989-V1007 HydrophobicContact CG-CG2 4.38Å
990	V	92.3	Very high	89.4	Confident	42 Å²	42	57.1 Å²	57.1	26%	0.255	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-49.1	171.3	169.4	0	0	0	0	111.2	F974 Q986 F992 S993 A994	F974-V990 HydrophobicContact CB-CG1 3.86Å; F974-V990 HydrophobicContact CD1-CG1 3.45Å; F974-V990 VanDerWaalsContact CD1-CG1 3.45Å; F974-V990 HydrophobicContact CD2-CG1 4.06Å; F974-V990 HydrophobicContact CE1-CG1 3.97Å; F974-V990 HydrophobicContact CG-CG1 3.51Å; F974-V990 HydrophobicContact CZ-CG1 4.49Å; Q986-V990 HydrophobicContact CG-CG2 4.25Å; Q986-V990 VanDerWaalsContact O-CB 3.31Å; Q986-V990 WeakPolarHBondContact O-CB 3.36Å; Q986-V990 VanDerWaalsContact O-CG2 3.26Å; Q986-V990 WeakPolarHBondContact O-CG2 3.4Å; Q986-V990 PolarHBondContact O-N 3.13Å; V990-F992 PolarHBondContact O-N 3.14Å; V990-S993 PolarHBondContact O-N 2.82Å; V990-A994 VanDerWaalsContact O-CB 3.27Å; V990-A994 WeakPolarHBondContact O-CB 3.3Å; V990-A994 PolarHBondContact O-N 3.11Å
991	A	92.2	Very high	89.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-41.9	-177	0	0	0	0	0	112.7	F962 N987 F988 A995	F962-A991 HydrophobicContact CB-CB 3.75Å; N987-A991 WeakPolarHBondContact O-CB 3.44Å; N987-A991 PolarHBondContact O-N 3.44Å; F988-A991 PolarHBondContact O-N 3.23Å; A991-A995 VanDerWaalsContact O-CB 3.23Å; A991-A995 WeakPolarHBondContact O-CB 3.49Å; A991-A995 PolarHBondContact O-N 3.03Å
992	F	91.9	Very high	89.2	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-40.1	179.1	-63.9	-14.4	0	0	0	111.9	F962 F988 V990 A994 A995 E996 L1005 V1007 M1010 Y1024	F962-F992 HydrophobicContact CD1-CE1 4.11Å; F962-F992 HydrophobicContact CD2-CE1 4.07Å; F962-F992 HydrophobicContact CD2-CZ 4.36Å; F962-F992 HydrophobicContact CE1-CE1 4.25Å; F962-F992 HydrophobicContact CE2-CE1 4.2Å; F962-F992 HydrophobicContact CE2-CZ 4.18Å; F962-F992 HydrophobicContact CG-CE1 4.02Å; F962-F992 HydrophobicContact CZ-CE1 4.28Å; F962-F992 HydrophobicContact CZ-CZ 4.41Å; F988-F992 HydrophobicContact CB-CE2 4.3Å; F988-F992 HydrophobicContact CD1-CE2 4.48Å; F988-F992 HydrophobicContact CD1-CZ 4.13Å; F988-F992 WeakPolarHBondContact O-CB 3.29Å; F988-F992 VanDerWaalsContact O-CG 3.27Å; F988-F992 WeakPolarHBondContact O-CG 3.35Å; F988-F992 PolarHBondContact O-N 3.35Å; V990-F992 PolarHBondContact O-N 3.14Å; F992-A994 VanDerWaalsContact C-N 3.33Å; F992-A994 PolarHBondContact O-N 3.07Å; F992-A995 PolarHBondContact O-N 3.29Å; F992-E996 WeakPolarHBondContact O-CB 3.49Å; F992-E996 PolarHBondContact O-N 2.78Å; F992-L1005 HydrophobicContact CE1-CD1 4.49Å; F992-L1005 HydrophobicContact CE2-CB 3.79Å; F992-L1005 VanDerWaalsContact CE2-O 3.22Å; F992-L1005 WeakPolarHBondContact CE2-O 3.29Å; F992-L1005 HydrophobicContact CZ-CB 3.8Å; F992-L1005 HydrophobicContact CZ-CD1 3.96Å; F992-V1007 HydrophobicContact CD2-CG2 3.82Å; F992-V1007 HydrophobicContact CE2-CG2 4.34Å; F992-M1010 HydrophobicContact CE2-CG 4.22Å; F992-M1010 HydrophobicContact CE2-SD 4.18Å; F992-M1010 HydrophobicContact CZ-CG 4.37Å; F992-M1010 HydrophobicContact CZ-SD 3.72Å; F992-Y1024 HydrophobicContact CD1-CE1 4.09Å; F992-Y1024 HydrophobicContact CD1-CE2 4.38Å; F992-Y1024 AromaticContact CD1-CZ 3.68Å; F992-Y1024 VanDerWaalsContact CD1-OH 3.29Å; F992-Y1024 WeakPolarHBondContact CD1-OH 3.37Å; F992-Y1024 HydrophobicContact CE1-CD1 4.5Å; F992-Y1024 AromaticContact CE1-CE1 3.84Å; F992-Y1024 HydrophobicContact CE1-CE1 3.84Å; F992-Y1024 HydrophobicContact CE1-CE2 4.46Å; F992-Y1024 AromaticContact CE1-CZ 3.82Å
993	S	91.1	Very high	89	Confident	62 Å²	62	54.5 Å²	54.5	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-39.6	174.3	-60.5	0	0	0	0	112.1	E989 V990 K997	E989-S993 WeakPolarHBondContact O-CB 3.12Å; E989-S993 PolarHBondContact O-N 3.04Å; E989-S993 PolarHBondContact O-OG 2.93Å; V990-S993 PolarHBondContact O-N 2.82Å; S993-K997 WeakPolarHBondContact O-CB 3.49Å; S993-K997 PolarHBondContact O-N 3.49Å
994	A	90.6	Very high	88.9	Confident	11 Å²	11	55 Å²	55	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-43.3	174.2	0	0	0	0	0	112.2	V966 A973 F974 V990 F992 K997 L998	V966-A994 HydrophobicContact CG1-CB 3.93Å; A973-A994 HydrophobicContact CB-CB 4.27Å; F974-A994 HydrophobicContact CD1-CB 3.97Å; F974-A994 HydrophobicContact CE1-CB 3.77Å; V990-A994 VanDerWaalsContact O-CB 3.27Å; V990-A994 WeakPolarHBondContact O-CB 3.3Å; V990-A994 PolarHBondContact O-N 3.11Å; F992-A994 VanDerWaalsContact C-N 3.33Å; F992-A994 PolarHBondContact O-N 3.07Å; A994-K997 PolarHBondContact O-N 3.36Å; A994-L998 HydrophobicContact CB-CD1 4.48Å; A994-L998 WeakPolarHBondContact O-CB 3.39Å; A994-L998 VanDerWaalsContact O-CG 3.27Å; A994-L998 WeakPolarHBondContact O-CG 3.4Å; A994-L998 PolarHBondContact O-N 2.92Å
995	A	90.6	Very high	88.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-37.6	178	0	0	0	0	0	112.8	V966 A991 F992 V999 D1000 C1001 Y1024 F1028	V966-A995 HydrophobicContact CG2-CB 4.2Å; A991-A995 VanDerWaalsContact O-CB 3.23Å; A991-A995 WeakPolarHBondContact O-CB 3.49Å; A991-A995 PolarHBondContact O-N 3.03Å; F992-A995 PolarHBondContact O-N 3.29Å; A995-V999 WeakPolarHBondContact O-CA 3.35Å; A995-V999 VanDerWaalsContact O-CB 3.22Å; A995-V999 WeakPolarHBondContact O-CB 3.4Å; A995-V999 PolarHBondContact O-N 2.91Å; A995-D1000 PolarHBondContact O-N 3.45Å; A995-C1001 HydrophobicContact CB-CB 4.36Å; A995-C1001 PolarHBondContact O-N 3.37Å; A995-Y1024 WeakPolarHBondContact CB-OH 3.48Å; A995-F1028 HydrophobicContact CB-CD2 3.98Å; A995-F1028 HydrophobicContact CB-CE2 3.86Å
996	E	90.4	Very high	88.7	Confident	86 Å²	86	52.2 Å²	52.2	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-58.3	171.7	-176.5	169.3	-129.3	0	0	110.1	F992 L998 D1000 Q1003	F992-E996 WeakPolarHBondContact O-CB 3.49Å; F992-E996 PolarHBondContact O-N 2.78Å; E996-L998 VanDerWaalsContact C-N 3.29Å; E996-L998 PolarHBondContact O-N 3.02Å; E996-D1000 WeakPolarHBondContact O-CA 3.47Å; E996-D1000 PolarHBondContact O-N 3.34Å; E996-Q1003 PolarHBondContact OE2-NE2 3.34Å
997	K	88.6	Confident	88.7	Confident	175 Å²	175	48.5 Å²	48.5	76%	0.761	25%	0.253	S	S	*	.	H	α-helix	trans	-59.7	-31.8	-176.2	-174.6	179.9	177.7	-173.2	0	114.5	S993 A994	S993-K997 WeakPolarHBondContact O-CB 3.49Å; S993-K997 PolarHBondContact O-N 3.49Å; A994-K997 PolarHBondContact O-N 3.36Å
998	L	86.1	Confident	88.5	Confident	55 Å²	55	51.7 Å²	51.7	29%	0.288	27%	0.271	S	S	.	.	H	α-helix	trans	-104.4	-28.9	-173.4	-58	174.6	0	0	0	113.4	F970 A973 A994 E996 K1035	F970-L998 HydrophobicContact CB-CD1 3.66Å; F970-L998 HydrophobicContact CD1-CB 4.26Å; F970-L998 HydrophobicContact CD1-CD1 4.04Å; F970-L998 HydrophobicContact CD2-CB 4.22Å; F970-L998 HydrophobicContact CD2-CD1 4.06Å; F970-L998 HydrophobicContact CE1-CB 4.14Å; F970-L998 HydrophobicContact CE2-CB 4.1Å; F970-L998 HydrophobicContact CG-CB 4.3Å; F970-L998 HydrophobicContact CG-CD1 3.66Å; F970-L998 HydrophobicContact CZ-CB 4.05Å; A973-L998 HydrophobicContact CB-CD1 3.61Å; A994-L998 HydrophobicContact CB-CD1 4.48Å; A994-L998 WeakPolarHBondContact O-CB 3.39Å; A994-L998 VanDerWaalsContact O-CG 3.27Å; A994-L998 WeakPolarHBondContact O-CG 3.4Å; A994-L998 PolarHBondContact O-N 2.92Å; E996-L998 VanDerWaalsContact C-N 3.29Å; E996-L998 PolarHBondContact O-N 3.02Å; L998-K1035 WeakPolarHBondContact O-CD 3.38Å; L998-K1035 PolarHBondContact O-NZ 3.08Å
999	V	84.5	Confident	88.4	Confident	4 Å²	4	55 Å²	55	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-114.6	-8.8	-174.9	-171.4	0	0	0	0	112.8	F970 A995 C1001 F1028 L1032 K1035	F970-V999 HydrophobicContact CE2-CG2 3.42Å; F970-V999 VanDerWaalsContact CE2-CG2 3.42Å; F970-V999 HydrophobicContact CZ-CG2 3.77Å; A995-V999 WeakPolarHBondContact O-CA 3.35Å; A995-V999 VanDerWaalsContact O-CB 3.22Å; A995-V999 WeakPolarHBondContact O-CB 3.4Å; A995-V999 PolarHBondContact O-N 2.91Å; V999-C1001 HydrophobicContact CB-CB 4.31Å; V999-C1001 HydrophobicContact CG1-CB 4.44Å; V999-C1001 PolarHBondContact O-N 3.13Å; V999-F1028 HydrophobicContact CB-CD2 4.38Å; V999-F1028 HydrophobicContact CB-CE2 4.29Å; V999-F1028 HydrophobicContact CG1-CD2 4.27Å; V999-F1028 HydrophobicContact CG1-CE2 4.48Å; V999-F1028 HydrophobicContact CG2-CD2 4.27Å; V999-F1028 HydrophobicContact CG2-CE2 3.71Å; V999-F1028 HydrophobicContact CG2-CZ 4.43Å; V999-L1032 HydrophobicContact CG1-CD2 4.37Å; V999-L1032 HydrophobicContact CG1-CG 4.26Å; V999-L1032 HydrophobicContact CG2-CD2 3.88Å; V999-L1032 HydrophobicContact CG2-CG 4.47Å; V999-K1035 WeakPolarHBondContact O-CE 3.39Å
1000	D	85.1	Confident	88.1	Confident	119 Å²	119	51.1 Å²	51.1	64%	0.636	27%	0.27	S	S	*	.			trans	54.6	33.7	-167.3	-50.9	-59.2	0	0	0	111.5	A995 E996 P1002 K1035	A995-D1000 PolarHBondContact O-N 3.45Å; E996-D1000 WeakPolarHBondContact O-CA 3.47Å; E996-D1000 PolarHBondContact O-N 3.34Å; D1000-P1002 WeakPolarHBondContact O-CD 3.41Å; D1000-K1035 IonicContact OD1-NZ 3.27Å; D1000-K1035 WeakPolarHBondContact OD2-CE 3.31Å; D1000-K1035 IonicContact OD2-NZ 3.5Å; D1000-K1035 PolarHBondContact OD2-NZ 2.66Å
1001	C	83.6	Confident	87.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	27%	0.269	C	S	.	.			trans	-76.5	120.2	-179.3	-172.5	0	0	0	0	109.8	A995 V999 Q1003 F1028	A995-C1001 HydrophobicContact CB-CB 4.36Å; A995-C1001 PolarHBondContact O-N 3.37Å; V999-C1001 HydrophobicContact CB-CB 4.31Å; V999-C1001 HydrophobicContact CG1-CB 4.44Å; V999-C1001 PolarHBondContact O-N 3.13Å; C1001-Q1003 PolarHBondContact O-N 2.8Å; C1001-F1028 HydrophobicContact CB-CD2 4.3Å
1002	P	82.3	Confident	87.7	Confident	56 Å²	56	57.7 Å²	57.7	36%	0.364	30%	0.298	S	S	.	.			trans	-63.6	137.7	-179.2	26	-34.3	0	0	0	111.2	D1000 L1004 E1027	D1000-P1002 WeakPolarHBondContact O-CD 3.41Å; P1002-L1004 VanDerWaalsContact C-N 3.31Å; P1002-L1004 HydrophobicContact CB-CD2 4.36Å; P1002-L1004 HydrophobicContact CG-CD2 4.49Å; P1002-L1004 HydrophobicContact CG-CG 4.33Å; P1002-L1004 PolarHBondContact O-N 2.81Å; P1002-E1027 HydrophobicContact CG-CB 4.46Å; P1002-E1027 HydrophobicContact CG-CG 4.38Å
1003	Q	81.8	Confident	87.4	Confident	88 Å²	88	61.4 Å²	61.4	41%	0.411	32%	0.317	S	S	.	.			trans	-70.7	83.3	175.3	-59.6	-161.2	30.6	0	0	110.9	E996 C1001 L1005	E996-Q1003 PolarHBondContact OE2-NE2 3.34Å; C1001-Q1003 PolarHBondContact O-N 2.8Å; Q1003-L1005 VanDerWaalsContact C-N 3.28Å
1004	L	87.3	Confident	86.8	Confident	89 Å²	89	68.4 Å²	68.4	47%	0.466	33%	0.333	S	S	.	.			trans	-85.4	5	174.9	-58.2	-174.5	0	0	0	113.8	P1002 T1023 Y1024 E1027	P1002-L1004 VanDerWaalsContact C-N 3.31Å; P1002-L1004 HydrophobicContact CB-CD2 4.36Å; P1002-L1004 HydrophobicContact CG-CD2 4.49Å; P1002-L1004 HydrophobicContact CG-CG 4.33Å; P1002-L1004 PolarHBondContact O-N 2.81Å; L1004-T1023 HydrophobicContact CD1-CG2 3.99Å; L1004-Y1024 HydrophobicContact CB-CD2 4.25Å; L1004-E1027 HydrophobicContact CD1-CG 3.62Å
1005	L	88.3	Confident	86.5	Confident	14 Å²	14	74 Å²	74	7%	0.073	36%	0.358	C	S	.	.	S	Bend	trans	-140.3	111.4	-173.8	-66.6	175.2	0	0	0	109.7	F962 F992 Q1003 V1007 M1010 C1020 Y1024	F962-L1005 HydrophobicContact CZ-CD1 3.97Å; F992-L1005 HydrophobicContact CE1-CD1 4.49Å; F992-L1005 HydrophobicContact CE2-CB 3.79Å; F992-L1005 VanDerWaalsContact CE2-O 3.22Å; F992-L1005 WeakPolarHBondContact CE2-O 3.29Å; F992-L1005 HydrophobicContact CZ-CB 3.8Å; F992-L1005 HydrophobicContact CZ-CD1 3.96Å; Q1003-L1005 VanDerWaalsContact C-N 3.28Å; L1005-V1007 PolarHBondContact O-N 3.46Å; L1005-M1010 HydrophobicContact CB-CG 4.2Å; L1005-M1010 HydrophobicContact CB-SD 4.04Å; L1005-M1010 HydrophobicContact CD1-SD 3.84Å; L1005-M1010 HydrophobicContact CD2-SD 4.44Å; L1005-M1010 HydrophobicContact CG-SD 4.34Å; L1005-C1020 HydrophobicContact CD2-CB 3.66Å; L1005-Y1024 HydrophobicContact CD1-CD1 3.98Å; L1005-Y1024 HydrophobicContact CD1-CD2 4.07Å; L1005-Y1024 HydrophobicContact CD1-CG 3.58Å; L1005-Y1024 HydrophobicContact CG-CD2 4.2Å; L1005-Y1024 HydrophobicContact CG-CG 4.13Å
1006	D	89.2	Confident	86.4	Confident	109 Å²	109	74.2 Å²	74.2	58%	0.583	36%	0.359	S	S	*	.			trans	-72.6	128	176.8	-62.1	-58.7	0	0	0	111.1	D1008 D1009 M1010	D1006-D1008 VanDerWaalsContact C-N 3.3Å; D1006-D1008 PolarHBondContact O-N 3.33Å; D1006-D1009 HydrophobicContact CB-CB 4.27Å; D1006-D1009 PolarHBondContact O-N 2.99Å; D1006-D1009 VanDerWaalsContact O-N 3.1Å; D1006-M1010 WeakPolarHBondContact O-CG 3.2Å; D1006-M1010 PolarHBondContact O-N 3.31Å
1007	V	89.9	Confident	86.4	Confident	19 Å²	19	73.1 Å²	73.1	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-52.5	-47.3	178.8	170.7	0	0	0	0	111.5	R985 F988 E989 F992 L1005 D1009 M1010 V1011	R985-V1007 HydrophobicContact CG-CG1 3.8Å; F988-V1007 HydrophobicContact CB-CG1 4.1Å; F988-V1007 HydrophobicContact CB-CG2 4.18Å; E989-V1007 HydrophobicContact CB-CG1 4.2Å; E989-V1007 HydrophobicContact CB-CG2 4.19Å; E989-V1007 HydrophobicContact CG-CG2 4.38Å; F992-V1007 HydrophobicContact CD2-CG2 3.82Å; F992-V1007 HydrophobicContact CE2-CG2 4.34Å; L1005-V1007 PolarHBondContact O-N 3.46Å; V1007-D1009 VanDerWaalsContact C-N 3.3Å; V1007-D1009 PolarHBondContact O-N 2.83Å; V1007-M1010 PolarHBondContact O-N 3.03Å; V1007-V1011 VanDerWaalsContact O-CG2 3.31Å; V1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; V1007-V1011 PolarHBondContact O-N 3.05Å
1008	D	88.1	Confident	86.4	Confident	68 Å²	68	69.8 Å²	69.8	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-36.3	-178.8	-93.4	-69.1	0	0	0	112.5	R985 D1006 V1011 K1012	R985-D1008 IonicContact CZ-OD1 3.05Å; R985-D1008 IonicContact CZ-OD2 3.85Å; R985-D1008 VanDerWaalsContact NH1-CG 3.29Å; R985-D1008 IonicContact NH1-OD1 3.17Å; R985-D1008 PolarHBondContact NH1-OD1 2.92Å; R985-D1008 IonicContact NH1-OD2 2.97Å; R985-D1008 PolarHBondContact NH1-OD2 3.18Å; R985-D1008 IonicContact NH2-OD1 2.7Å; R985-D1008 IonicContact NH2-OD2 2.71Å; R985-D1008 PolarHBondContact NH2-OD2 2.89Å; D1006-D1008 VanDerWaalsContact C-N 3.3Å; D1006-D1008 PolarHBondContact O-N 3.33Å; D1008-V1011 PolarHBondContact O-N 2.93Å; D1008-K1012 VanDerWaalsContact O-CD 3.32Å; D1008-K1012 WeakPolarHBondContact O-CD 3.27Å; D1008-K1012 WeakPolarHBondContact O-CE 3.37Å; D1008-K1012 WeakPolarHBondContact O-CG 3.36Å; D1008-K1012 PolarHBondContact O-N 2.99Å
1009	D	89.6	Confident	86.7	Confident	70 Å²	70	71.7 Å²	71.7	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-79.3	-34.1	179	-85.7	24.4	0	0	0	112.2	D1006 V1007 V1011 K1012 M1013	D1006-D1009 HydrophobicContact CB-CB 4.27Å; D1006-D1009 PolarHBondContact O-N 2.99Å; D1006-D1009 VanDerWaalsContact O-N 3.1Å; V1007-D1009 VanDerWaalsContact C-N 3.3Å; V1007-D1009 PolarHBondContact O-N 2.83Å; D1009-V1011 VanDerWaalsContact C-N 3.28Å; D1009-V1011 PolarHBondContact O-N 3.05Å; D1009-K1012 PolarHBondContact O-N 3.4Å; D1009-K1012 IonicContact OD1-NZ 2.66Å; D1009-K1012 PolarHBondContact OD1-NZ 2.99Å; D1009-M1013 HydrophobicContact CB-CE 3.97Å; D1009-M1013 WeakPolarHBondContact O-CB 3.33Å; D1009-M1013 WeakPolarHBondContact O-CE 3.46Å; D1009-M1013 PolarHBondContact O-N 3.15Å
1010	M	87.4	Confident	87	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-33.8	168.2	-67	-114.8	67.7	0	0	112.6	F962 F988 F992 L1005 D1006 V1007 P1016 V1021	F962-M1010 HydrophobicContact CE2-SD 3.98Å; F962-M1010 HydrophobicContact CZ-SD 4.44Å; F988-M1010 HydrophobicContact CD1-CB 4.1Å; F988-M1010 HydrophobicContact CD1-CG 4.47Å; F988-M1010 HydrophobicContact CD1-SD 4.04Å; F988-M1010 HydrophobicContact CD2-CB 3.83Å; F988-M1010 HydrophobicContact CE1-CB 3.98Å; F988-M1010 HydrophobicContact CE1-CE 4.23Å; F988-M1010 HydrophobicContact CE1-CG 4.44Å; F988-M1010 HydrophobicContact CE1-SD 3.77Å; F988-M1010 HydrophobicContact CE2-CB 3.71Å; F988-M1010 HydrophobicContact CG-CB 4.05Å; F988-M1010 HydrophobicContact CZ-CB 3.79Å; F988-M1010 HydrophobicContact CZ-CE 4.41Å; F988-M1010 HydrophobicContact CZ-SD 4.36Å; F992-M1010 HydrophobicContact CE2-CG 4.22Å; F992-M1010 HydrophobicContact CE2-SD 4.18Å; F992-M1010 HydrophobicContact CZ-CG 4.37Å; F992-M1010 HydrophobicContact CZ-SD 3.72Å; L1005-M1010 HydrophobicContact CB-CG 4.2Å; L1005-M1010 HydrophobicContact CB-SD 4.04Å; L1005-M1010 HydrophobicContact CD1-SD 3.84Å; L1005-M1010 HydrophobicContact CD2-SD 4.44Å; L1005-M1010 HydrophobicContact CG-SD 4.34Å; D1006-M1010 WeakPolarHBondContact O-CG 3.2Å; D1006-M1010 PolarHBondContact O-N 3.31Å; V1007-M1010 PolarHBondContact O-N 3.03Å; M1010-P1016 HydrophobicContact CE-CB 3.4Å; M1010-P1016 HydrophobicContact CE-CG 3.57Å; M1010-V1021 HydrophobicContact CE-CG2 4.19Å
1011	V	88.6	Confident	87.4	Confident	36 Å²	36	68.7 Å²	68.7	22%	0.218	33%	0.333	C	S	.	.	H	α-helix	trans	-75.6	-43.7	174.9	173.9	0	0	0	0	111.5	R984 R985 F988 V1007 D1008 D1009	R984-V1011 PolarHBondContact NH1-O 2.93Å; R984-V1011 PolarHBondContact NH2-O 3.19Å; R985-V1011 HydrophobicContact CB-CG2 3.83Å; R985-V1011 HydrophobicContact CG-CG2 4.24Å; F988-V1011 HydrophobicContact CD2-CG2 3.82Å; F988-V1011 HydrophobicContact CE2-CG2 4.14Å; V1007-V1011 VanDerWaalsContact O-CG2 3.31Å; V1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; V1007-V1011 PolarHBondContact O-N 3.05Å; D1008-V1011 PolarHBondContact O-N 2.93Å; D1009-V1011 VanDerWaalsContact C-N 3.28Å; D1009-V1011 PolarHBondContact O-N 3.05Å
1012	K	86.8	Confident	87.8	Confident	144 Å²	144	69.9 Å²	69.9	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-40.9	177.9	-68.9	159.9	-149.6	161	0	112.2	D1008 D1009 R1014	D1008-K1012 VanDerWaalsContact O-CD 3.32Å; D1008-K1012 WeakPolarHBondContact O-CD 3.27Å; D1008-K1012 WeakPolarHBondContact O-CE 3.37Å; D1008-K1012 WeakPolarHBondContact O-CG 3.36Å; D1008-K1012 PolarHBondContact O-N 2.99Å; D1009-K1012 PolarHBondContact O-N 3.4Å; D1009-K1012 IonicContact OD1-NZ 2.66Å; D1009-K1012 PolarHBondContact OD1-NZ 2.99Å; K1012-R1014 PolarHBondContact O-N 3.2Å
1013	M	85.3	Confident	88.3	Confident	79 Å²	79	69.9 Å²	69.9	39%	0.389	34%	0.336	S	S	.	.			trans	-81	117.4	-179.6	-72.5	-174.6	-84.2	0	0	112	D1009 E1015	D1009-M1013 HydrophobicContact CB-CE 3.97Å; D1009-M1013 WeakPolarHBondContact O-CB 3.33Å; D1009-M1013 WeakPolarHBondContact O-CE 3.46Å; D1009-M1013 PolarHBondContact O-N 3.15Å; M1013-E1015 VanDerWaalsContact C-N 3.28Å; M1013-E1015 PolarHBondContact O-N 3.13Å
1014	R	78.9	Confident	88.8	Confident	209 Å²	209	65.9 Å²	65.9	79%	0.789	32%	0.318	S	S	*	.	S	Bend	trans	-66.4	-31.1	169.1	-177.1	176.6	176.6	179.8	-0.3	112.4	S957 K1012	S957-R1014 WeakPolarHBondContact CB-O 3.44Å; K1012-R1014 PolarHBondContact O-N 3.2Å
1015	E	84.4	Confident	89.1	Confident	128 Å²	128	61.7 Å²	61.7	60%	0.598	30%	0.296	S	S	*	.	S	Bend	trans	-133.1	103.9	174.8	-60.3	-165.6	160.7	0	0	108.5	M1013	M1013-E1015 VanDerWaalsContact C-N 3.28Å; M1013-E1015 PolarHBondContact O-N 3.13Å
1016	P	87.6	Confident	89.2	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.032	31%	0.31	C	S	.	.			trans	-71.9	155.5	177.6	30.4	-36.1	0	0	0	111.5	S953 M1010 W1018 V1021	S953-P1016 WeakPolarHBondContact CB-O 3.22Å; S953-P1016 WeakPolarHBondContact O-CD 3.3Å; M1010-P1016 HydrophobicContact CE-CB 3.4Å; M1010-P1016 HydrophobicContact CE-CG 3.57Å; P1016-W1018 PolarHBondContact O-N 3Å; P1016-W1018 VanDerWaalsContact O-N 3.12Å; P1016-V1021 HydrophobicContact CB-CG2 3.97Å; P1016-V1021 HydrophobicContact CG-CG2 3.81Å
1017	D	90.2	Very high	89.4	Confident	64 Å²	64	61.2 Å²	61.2	34%	0.342	29%	0.29	S	S	.	.			trans	-62	119.1	174.3	-174.7	-8.8	0	0	0	109.9	K1019 C1020 V1021	D1017-K1019 PolarHBondContact O-N 2.71Å; D1017-K1019 WeakPolarHBondContact OD1-CB 3.33Å; D1017-K1019 PolarHBondContact OD1-N 2.93Å; D1017-K1019 IonicContact OD1-NZ 2.76Å; D1017-K1019 PolarHBondContact OD1-NZ 3.04Å; D1017-K1019 IonicContact OD2-NZ 2.74Å; D1017-K1019 PolarHBondContact OD2-NZ 2.83Å; D1017-C1020 PolarHBondContact O-N 3.22Å; D1017-V1021 PolarHBondContact O-N 3.01Å
1018	W	90.5	Very high	89.4	Confident	104 Å²	104	60.5 Å²	60.5	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-54.9	-24.3	178.3	69.6	-96.4	0	0	0	113.3	K930 F952 P1016 Y1022	K930-W1018 HydrophobicContact CD-CZ3 3.98Å; F952-W1018 HydrophobicContact CB-CB 3.96Å; F952-W1018 WeakPolarHBondContact O-CA 3.31Å; P1016-W1018 PolarHBondContact O-N 3Å; P1016-W1018 VanDerWaalsContact O-N 3.12Å; W1018-Y1022 WeakPolarHBondContact O-CB 2.95Å; W1018-Y1022 PolarHBondContact O-N 3.33Å
1019	K	91.6	Very high	89.5	Confident	96 Å²	96	60.2 Å²	60.2	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-69.8	-42.8	173.9	-74	177.3	-111.9	61.2	0	112.3	D1017 T1023	D1017-K1019 PolarHBondContact O-N 2.71Å; D1017-K1019 WeakPolarHBondContact OD1-CB 3.33Å; D1017-K1019 PolarHBondContact OD1-N 2.93Å; D1017-K1019 IonicContact OD1-NZ 2.76Å; D1017-K1019 PolarHBondContact OD1-NZ 3.04Å; D1017-K1019 IonicContact OD2-NZ 2.74Å; D1017-K1019 PolarHBondContact OD2-NZ 2.83Å; K1019-T1023 WeakPolarHBondContact O-CB 3.48Å; K1019-T1023 PolarHBondContact O-N 3.23Å; K1019-T1023 PolarHBondContact O-OG1 2.94Å
1020	C	91.6	Very high	89.5	Confident	60 Å²	60	63 Å²	63	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-46.6	-179.1	-57.3	0	0	0	0	110	L1005 D1017 T1023 Y1024	L1005-C1020 HydrophobicContact CD2-CB 3.66Å; D1017-C1020 PolarHBondContact O-N 3.22Å; C1020-T1023 PolarHBondContact O-N 3.17Å; C1020-Y1024 PolarHBondContact O-N 3.02Å
1021	V	91.8	Very high	89.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-47.4	174.6	175.2	0	0	0	0	111.7	F952 W956 F962 M1010 P1016 D1017 T1023 Y1024 L1025	F952-V1021 HydrophobicContact CB-CG1 4.36Å; F952-V1021 HydrophobicContact CD1-CG1 4.47Å; F952-V1021 WeakPolarHBondContact O-CB 3.47Å; F952-V1021 VanDerWaalsContact O-CG1 3.3Å; F952-V1021 WeakPolarHBondContact O-CG1 3.35Å; W956-V1021 HydrophobicContact CB-CG1 4.23Å; W956-V1021 HydrophobicContact CD2-CG1 3.98Å; W956-V1021 HydrophobicContact CG-CG1 3.74Å; F962-V1021 HydrophobicContact CZ-CG1 4.11Å; M1010-V1021 HydrophobicContact CE-CG2 4.19Å; P1016-V1021 HydrophobicContact CB-CG2 3.97Å; P1016-V1021 HydrophobicContact CG-CG2 3.81Å; D1017-V1021 PolarHBondContact O-N 3.01Å; V1021-T1023 VanDerWaalsContact C-N 3.3Å; V1021-T1023 PolarHBondContact O-N 2.78Å; V1021-Y1024 PolarHBondContact O-N 3.26Å; V1021-L1025 HydrophobicContact CG1-CD1 3.71Å; V1021-L1025 HydrophobicContact CG1-CG 4.41Å; V1021-L1025 WeakPolarHBondContact O-CB 3.42Å; V1021-L1025 VanDerWaalsContact O-CG 3.27Å; V1021-L1025 WeakPolarHBondContact O-CG 3.47Å; V1021-L1025 PolarHBondContact O-N 3.1Å
1022	Y	92.9	Very high	89.5	Confident	26 Å²	26	61.8 Å²	61.8	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-42.5	174.6	170.3	-90.2	0	0	0	112.1	I929 K930 L933 F952 W1018 L1025 Q1026	I929-Y1022 WeakPolarHBondContact CG2-OH 3.33Å; K930-Y1022 HydrophobicContact CB-CD2 4.48Å; K930-Y1022 HydrophobicContact CB-CE2 4.24Å; K930-Y1022 HydrophobicContact CG-CD2 3.85Å; K930-Y1022 HydrophobicContact CG-CE2 3.61Å; L933-Y1022 HydrophobicContact CB-CE2 4.39Å; L933-Y1022 HydrophobicContact CD2-CD2 3.72Å; L933-Y1022 HydrophobicContact CD2-CE2 3.57Å; F952-Y1022 HydrophobicContact CD2-CD2 4.32Å; F952-Y1022 AromaticContact CE2-CD2 3.91Å; F952-Y1022 HydrophobicContact CE2-CD2 3.91Å; F952-Y1022 HydrophobicContact CZ-CD2 4.06Å; W1018-Y1022 WeakPolarHBondContact O-CB 2.95Å; W1018-Y1022 PolarHBondContact O-N 3.33Å; Y1022-L1025 PolarHBondContact O-N 3.41Å; Y1022-Q1026 WeakPolarHBondContact O-CB 3.36Å; Y1022-Q1026 PolarHBondContact O-N 3.3Å; Y1022-Q1026 PolarHBondContact OH-OE1 2.94Å
1023	T	92.8	Very high	89.7	Confident	57 Å²	57	57.1 Å²	57.1	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-48.9	-179.2	-54.6	0	0	0	0	110.5	L1004 K1019 C1020 V1021 L1025 Q1026 E1027	L1004-T1023 HydrophobicContact CD1-CG2 3.99Å; K1019-T1023 WeakPolarHBondContact O-CB 3.48Å; K1019-T1023 PolarHBondContact O-N 3.23Å; K1019-T1023 PolarHBondContact O-OG1 2.94Å; C1020-T1023 PolarHBondContact O-N 3.17Å; V1021-T1023 VanDerWaalsContact C-N 3.3Å; V1021-T1023 PolarHBondContact O-N 2.78Å; T1023-L1025 VanDerWaalsContact C-N 3.32Å; T1023-L1025 PolarHBondContact O-N 3.12Å; T1023-Q1026 WeakPolarHBondContact O-CA 3.48Å; T1023-Q1026 WeakPolarHBondContact O-CB 3.31Å; T1023-Q1026 PolarHBondContact O-N 2.7Å; T1023-E1027 WeakPolarHBondContact O-CG 3.32Å; T1023-E1027 PolarHBondContact O-N 3.2Å
1024	Y	93	Very high	89.7	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-44.1	175.3	-178.5	-92	0	0	0	112.3	F962 F992 A995 L1004 L1005 C1020 V1021 Q1026 E1027 F1028	F962-Y1024 HydrophobicContact CD1-CD1 4.37Å; F962-Y1024 HydrophobicContact CD1-CE1 4.14Å; F962-Y1024 AromaticContact CE1-CD1 3.75Å; F962-Y1024 HydrophobicContact CE1-CD1 3.75Å; F962-Y1024 AromaticContact CE1-CE1 3.97Å; F962-Y1024 HydrophobicContact CE1-CE1 3.97Å; F992-Y1024 HydrophobicContact CD1-CE1 4.09Å; F992-Y1024 HydrophobicContact CD1-CE2 4.38Å; F992-Y1024 AromaticContact CD1-CZ 3.68Å; F992-Y1024 VanDerWaalsContact CD1-OH 3.29Å; F992-Y1024 WeakPolarHBondContact CD1-OH 3.37Å; F992-Y1024 HydrophobicContact CE1-CD1 4.5Å; F992-Y1024 AromaticContact CE1-CE1 3.84Å; F992-Y1024 HydrophobicContact CE1-CE1 3.84Å; F992-Y1024 HydrophobicContact CE1-CE2 4.46Å; F992-Y1024 AromaticContact CE1-CZ 3.82Å; A995-Y1024 WeakPolarHBondContact CB-OH 3.48Å; L1004-Y1024 HydrophobicContact CB-CD2 4.25Å; L1005-Y1024 HydrophobicContact CD1-CD1 3.98Å; L1005-Y1024 HydrophobicContact CD1-CD2 4.07Å; L1005-Y1024 HydrophobicContact CD1-CG 3.58Å; L1005-Y1024 HydrophobicContact CG-CD2 4.2Å; L1005-Y1024 HydrophobicContact CG-CG 4.13Å; C1020-Y1024 PolarHBondContact O-N 3.02Å; V1021-Y1024 PolarHBondContact O-N 3.26Å; Y1024-Q1026 VanDerWaalsContact C-N 3.29Å; Y1024-Q1026 PolarHBondContact O-N 2.8Å; Y1024-E1027 WeakPolarHBondContact O-CB 3.33Å; Y1024-E1027 PolarHBondContact O-N 3.49Å; Y1024-F1028 WeakPolarHBondContact O-CB 3.09Å; Y1024-F1028 PolarHBondContact O-N 3.1Å
1025	L	92.3	Very high	89.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-29.1	176.9	-68.4	168.5	0	0	0	113.1	L933 F952 W956 F962 L965 V1021 Y1022 T1023 Y1029	L933-L1025 HydrophobicContact CD2-CB 4.02Å; F952-L1025 HydrophobicContact CD1-CD1 3.66Å; F952-L1025 HydrophobicContact CE1-CD1 3.72Å; W956-L1025 HydrophobicContact CD2-CD1 4.26Å; W956-L1025 HydrophobicContact CE3-CD1 4.36Å; W956-L1025 HydrophobicContact CE3-CD2 4.49Å; W956-L1025 HydrophobicContact CH2-CD1 3.58Å; W956-L1025 HydrophobicContact CH2-CD2 3.63Å; W956-L1025 HydrophobicContact CH2-CG 4.26Å; W956-L1025 HydrophobicContact CZ2-CD1 3.41Å; W956-L1025 VanDerWaalsContact CZ2-CD1 3.41Å; W956-L1025 HydrophobicContact CZ2-CD2 4.35Å; W956-L1025 HydrophobicContact CZ3-CD1 4.06Å; W956-L1025 HydrophobicContact CZ3-CD2 3.71Å; W956-L1025 HydrophobicContact CZ3-CG 4.47Å; F962-L1025 HydrophobicContact CD1-CD2 4.26Å; F962-L1025 HydrophobicContact CE1-CD2 3.93Å; F962-L1025 HydrophobicContact CE1-CG 4.27Å; L965-L1025 HydrophobicContact CD2-CD2 3.54Å; V1021-L1025 HydrophobicContact CG1-CD1 3.71Å; V1021-L1025 HydrophobicContact CG1-CG 4.41Å; V1021-L1025 WeakPolarHBondContact O-CB 3.42Å; V1021-L1025 VanDerWaalsContact O-CG 3.27Å; V1021-L1025 WeakPolarHBondContact O-CG 3.47Å; V1021-L1025 PolarHBondContact O-N 3.1Å; Y1022-L1025 PolarHBondContact O-N 3.41Å; T1023-L1025 VanDerWaalsContact C-N 3.32Å; T1023-L1025 PolarHBondContact O-N 3.12Å; L1025-Y1029 WeakPolarHBondContact O-CB 3.31Å; L1025-Y1029 PolarHBondContact O-N 2.9Å
1026	Q	91.8	Very high	89.7	Confident	79 Å²	79	49.1 Å²	49.1	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-71.6	-37.8	172.5	-166.6	-171.3	-95.8	0	0	111.6	Y1022 T1023 Y1024 R1030	Y1022-Q1026 WeakPolarHBondContact O-CB 3.36Å; Y1022-Q1026 PolarHBondContact O-N 3.3Å; Y1022-Q1026 PolarHBondContact OH-OE1 2.94Å; T1023-Q1026 WeakPolarHBondContact O-CA 3.48Å; T1023-Q1026 WeakPolarHBondContact O-CB 3.31Å; T1023-Q1026 PolarHBondContact O-N 2.7Å; Y1024-Q1026 VanDerWaalsContact C-N 3.29Å; Y1024-Q1026 PolarHBondContact O-N 2.8Å; Q1026-R1030 WeakPolarHBondContact O-CB 3.39Å; Q1026-R1030 PolarHBondContact O-N 2.75Å
1027	E	91.4	Very high	89.3	Confident	34 Å²	34	52.4 Å²	52.4	16%	0.159	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-49.6	171.8	-60.8	-52.7	95.9	0	0	111.1	P1002 L1004 T1023 Y1024 Y1029 R1030 G1031	P1002-E1027 HydrophobicContact CG-CB 4.46Å; P1002-E1027 HydrophobicContact CG-CG 4.38Å; L1004-E1027 HydrophobicContact CD1-CG 3.62Å; T1023-E1027 WeakPolarHBondContact O-CG 3.32Å; T1023-E1027 PolarHBondContact O-N 3.2Å; Y1024-E1027 WeakPolarHBondContact O-CB 3.33Å; Y1024-E1027 PolarHBondContact O-N 3.49Å; E1027-Y1029 PolarHBondContact O-N 2.63Å; E1027-R1030 WeakPolarHBondContact O-CB 3.4Å; E1027-R1030 PolarHBondContact O-N 2.96Å; E1027-R1030 VanDerWaalsContact O-N 3.11Å; E1027-R1030 IonicContact OE1-CZ 3.5Å; E1027-R1030 IonicContact OE1-NH1 2.77Å; E1027-R1030 PolarHBondContact OE1-NH1 3.06Å; E1027-R1030 IonicContact OE1-NH2 3.68Å; E1027-R1030 IonicContact OE2-CZ 3.22Å; E1027-R1030 VanDerWaalsContact OE2-CZ 3.29Å; E1027-R1030 IonicContact OE2-NH1 2.96Å; E1027-R1030 PolarHBondContact OE2-NH1 2.86Å; E1027-R1030 IonicContact OE2-NH2 2.67Å; E1027-R1030 PolarHBondContact OE2-NH2 3.05Å; E1027-G1031 PolarHBondContact O-N 2.91Å
1028	F	90.8	Very high	88.7	Confident	3 Å²	3	50.2 Å²	50.2	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-47.1	178.2	-177.9	-102.6	0	0	0	111.9	W936 L965 V966 F969 A995 V999 C1001 Y1024 R1030 G1031 L1032	W936-F1028 HydrophobicContact CH2-CD1 4.28Å; W936-F1028 HydrophobicContact CH2-CE1 4.35Å; L965-F1028 HydrophobicContact CD2-CD1 3.96Å; L965-F1028 HydrophobicContact CD2-CE1 3.85Å; L965-F1028 HydrophobicContact CG-CD1 4.48Å; L965-F1028 HydrophobicContact CG-CE1 3.88Å; V966-F1028 HydrophobicContact CG2-CE2 3.96Å; V966-F1028 HydrophobicContact CG2-CZ 3.87Å; F969-F1028 HydrophobicContact CD2-CE1 4.41Å; A995-F1028 HydrophobicContact CB-CD2 3.98Å; A995-F1028 HydrophobicContact CB-CE2 3.86Å; V999-F1028 HydrophobicContact CB-CD2 4.38Å; V999-F1028 HydrophobicContact CB-CE2 4.29Å; V999-F1028 HydrophobicContact CG1-CD2 4.27Å; V999-F1028 HydrophobicContact CG1-CE2 4.48Å; V999-F1028 HydrophobicContact CG2-CD2 4.27Å; V999-F1028 HydrophobicContact CG2-CE2 3.71Å; V999-F1028 HydrophobicContact CG2-CZ 4.43Å; C1001-F1028 HydrophobicContact CB-CD2 4.3Å; Y1024-F1028 WeakPolarHBondContact O-CB 3.09Å; Y1024-F1028 PolarHBondContact O-N 3.1Å; F1028-R1030 VanDerWaalsContact C-N 3.32Å; F1028-R1030 PolarHBondContact O-N 3.31Å; F1028-G1031 PolarHBondContact O-N 3.28Å; F1028-L1032 HydrophobicContact CD1-CD1 3.9Å; F1028-L1032 HydrophobicContact CE1-CD1 3.43Å; F1028-L1032 VanDerWaalsContact CE1-CD1 3.43Å; F1028-L1032 HydrophobicContact CE1-CG 4.21Å; F1028-L1032 HydrophobicContact CZ-CD1 3.89Å; F1028-L1032 HydrophobicContact CZ-CD2 4.47Å; F1028-L1032 HydrophobicContact CZ-CG 4.29Å; F1028-L1032 WeakPolarHBondContact O-CG 3.32Å; F1028-L1032 PolarHBondContact O-N 2.92Å
1029	Y	91.2	Very high	87.3	Confident	63 Å²	63	54.2 Å²	54.2	25%	0.247	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-43.6	173.2	179.4	-86.6	0	0	0	111.6	L933 W936 L1025 E1027 L1032 V1033 V1038	L933-Y1029 HydrophobicContact CD1-CD2 4.21Å; L933-Y1029 HydrophobicContact CD1-CG 4.25Å; W936-Y1029 AromaticContact CD1-CE2 3.96Å; W936-Y1029 AromaticContact CD2-CD2 3.75Å; W936-Y1029 HydrophobicContact CD2-CD2 3.75Å; W936-Y1029 HydrophobicContact CD2-CE2 4.02Å; W936-Y1029 AromaticContact CE2-CD2 3.53Å; W936-Y1029 AromaticContact CE2-CE2 3.72Å; W936-Y1029 HydrophobicContact CE3-CD2 4.01Å; W936-Y1029 HydrophobicContact CG-CD2 4.34Å; W936-Y1029 HydrophobicContact CG-CE2 4.17Å; W936-Y1029 AromaticContact CH2-CD2 3.9Å; W936-Y1029 HydrophobicContact CH2-CD2 3.9Å; W936-Y1029 AromaticContact CZ2-CD2 3.61Å; W936-Y1029 HydrophobicContact CZ2-CD2 3.61Å; W936-Y1029 HydrophobicContact CZ2-CE2 4.16Å; W936-Y1029 HydrophobicContact CZ3-CD2 4.08Å; W936-Y1029 AromaticContact NE1-CD2 3.99Å; W936-Y1029 AromaticContact NE1-CE2 3.67Å; L1025-Y1029 WeakPolarHBondContact O-CB 3.31Å; L1025-Y1029 PolarHBondContact O-N 2.9Å; E1027-Y1029 PolarHBondContact O-N 2.63Å; Y1029-L1032 PolarHBondContact O-N 3.49Å; Y1029-V1033 HydrophobicContact CD1-CG2 4.15Å; Y1029-V1033 HydrophobicContact CE1-CG2 3.67Å; Y1029-V1033 WeakPolarHBondContact O-CG2 3.14Å; Y1029-V1033 PolarHBondContact O-N 2.96Å; Y1029-V1033 VanDerWaalsContact O-N 3.08Å; Y1029-V1038 HydrophobicContact CE2-CG1 3.94Å
1030	R	89.4	Confident	85.6	Confident	129 Å²	129	52 Å²	52	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-46.5	177.3	-171	179.4	70.1	-108.4	0.4	111.2	Q1026 E1027 F1028 L1032 V1033 T1034	Q1026-R1030 WeakPolarHBondContact O-CB 3.39Å; Q1026-R1030 PolarHBondContact O-N 2.75Å; E1027-R1030 WeakPolarHBondContact O-CB 3.4Å; E1027-R1030 PolarHBondContact O-N 2.96Å; E1027-R1030 VanDerWaalsContact O-N 3.11Å; E1027-R1030 IonicContact OE1-CZ 3.5Å; E1027-R1030 IonicContact OE1-NH1 2.77Å; E1027-R1030 PolarHBondContact OE1-NH1 3.06Å; E1027-R1030 IonicContact OE1-NH2 3.68Å; E1027-R1030 IonicContact OE2-CZ 3.22Å; E1027-R1030 VanDerWaalsContact OE2-CZ 3.29Å; E1027-R1030 IonicContact OE2-NH1 2.96Å; E1027-R1030 PolarHBondContact OE2-NH1 2.86Å; E1027-R1030 IonicContact OE2-NH2 2.67Å; E1027-R1030 PolarHBondContact OE2-NH2 3.05Å; F1028-R1030 VanDerWaalsContact C-N 3.32Å; F1028-R1030 PolarHBondContact O-N 3.31Å; R1030-L1032 VanDerWaalsContact C-N 3.34Å; R1030-L1032 PolarHBondContact O-N 3.47Å; R1030-V1033 WeakPolarHBondContact O-CB 3.22Å; R1030-V1033 PolarHBondContact O-N 3.43Å; R1030-V1033 VanDerWaalsContact O-N 3.08Å; R1030-T1034 PolarHBondContact O-N 3.24Å; R1030-T1034 PolarHBondContact O-OG1 3.38Å
1031	G	87.1	Confident	83.4	Confident	13 Å²	13	58.1 Å²	58.1	13%	0.134	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-43.5	177.9	0	0	0	0	0	112.7	E1027 F1028 V1033 T1034 K1035	E1027-G1031 PolarHBondContact O-N 2.91Å; F1028-G1031 PolarHBondContact O-N 3.28Å; G1031-V1033 VanDerWaalsContact C-N 3.31Å; G1031-V1033 PolarHBondContact O-N 2.76Å; G1031-T1034 PolarHBondContact O-N 2.74Å; G1031-K1035 PolarHBondContact O-N 3.32Å
1032	L	88.9	Confident	81.1	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-32.9	173.9	-70.9	176.1	0	0	0	113.7	W936 F969 F970 V999 F1028 Y1029 R1030 G1036 L1037 V1038	W936-L1032 HydrophobicContact CH2-CD1 3.98Å; W936-L1032 HydrophobicContact CZ2-CD1 4.02Å; F969-L1032 HydrophobicContact CB-CD2 4.12Å; F969-L1032 HydrophobicContact CD1-CD1 4.17Å; F969-L1032 HydrophobicContact CD1-CD2 4.25Å; F969-L1032 HydrophobicContact CD2-CD1 3.53Å; F969-L1032 HydrophobicContact CD2-CD2 4.38Å; F969-L1032 HydrophobicContact CE1-CD1 4.12Å; F969-L1032 HydrophobicContact CE2-CD1 3.49Å; F969-L1032 VanDerWaalsContact CE2-CD1 3.49Å; F969-L1032 HydrophobicContact CG-CD1 3.9Å; F969-L1032 HydrophobicContact CG-CD2 4Å; F969-L1032 HydrophobicContact CZ-CD1 3.79Å; F970-L1032 HydrophobicContact CE2-CD2 3.81Å; F970-L1032 HydrophobicContact CZ-CD2 4.02Å; V999-L1032 HydrophobicContact CG1-CD2 4.37Å; V999-L1032 HydrophobicContact CG1-CG 4.26Å; V999-L1032 HydrophobicContact CG2-CD2 3.88Å; V999-L1032 HydrophobicContact CG2-CG 4.47Å; F1028-L1032 HydrophobicContact CD1-CD1 3.9Å; F1028-L1032 HydrophobicContact CE1-CD1 3.43Å; F1028-L1032 VanDerWaalsContact CE1-CD1 3.43Å; F1028-L1032 HydrophobicContact CE1-CG 4.21Å; F1028-L1032 HydrophobicContact CZ-CD1 3.89Å; F1028-L1032 HydrophobicContact CZ-CD2 4.47Å; F1028-L1032 HydrophobicContact CZ-CG 4.29Å; F1028-L1032 WeakPolarHBondContact O-CG 3.32Å; F1028-L1032 PolarHBondContact O-N 2.92Å; Y1029-L1032 PolarHBondContact O-N 3.49Å; R1030-L1032 VanDerWaalsContact C-N 3.34Å; R1030-L1032 PolarHBondContact O-N 3.47Å; L1032-G1036 PolarHBondContact O-N 3.24Å; L1032-L1037 HydrophobicContact CD2-CB 4.13Å; L1032-L1037 HydrophobicContact CD2-CD1 4.34Å; L1032-L1037 PolarHBondContact O-N 3.11Å; L1032-V1038 HydrophobicContact CB-CB 4.35Å; L1032-V1038 HydrophobicContact CB-CG2 3.76Å; L1032-V1038 HydrophobicContact CD1-CG2 4.17Å; L1032-V1038 PolarHBondContact O-N 2.74Å; L1032-V1038 VanDerWaalsContact O-N 3.08Å
1033	V	89.2	Confident	78.2	Confident	45 Å²	45	66.4 Å²	66.4	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-71.6	-44.4	172.7	172.2	0	0	0	0	110.7	Y1029 R1030 G1031 K1035 G1036 V1038 T1040	Y1029-V1033 HydrophobicContact CD1-CG2 4.15Å; Y1029-V1033 HydrophobicContact CE1-CG2 3.67Å; Y1029-V1033 WeakPolarHBondContact O-CG2 3.14Å; Y1029-V1033 PolarHBondContact O-N 2.96Å; Y1029-V1033 VanDerWaalsContact O-N 3.08Å; R1030-V1033 WeakPolarHBondContact O-CB 3.22Å; R1030-V1033 PolarHBondContact O-N 3.43Å; R1030-V1033 VanDerWaalsContact O-N 3.08Å; G1031-V1033 VanDerWaalsContact C-N 3.31Å; G1031-V1033 PolarHBondContact O-N 2.76Å; V1033-K1035 VanDerWaalsContact C-N 3.31Å; V1033-K1035 PolarHBondContact O-N 3.35Å; V1033-G1036 PolarHBondContact O-N 3.38Å; V1033-V1038 HydrophobicContact CG2-CB 3.78Å; V1033-V1038 HydrophobicContact CG2-CG1 3.76Å; V1033-T1040 HydrophobicContact CG1-CG2 3.89Å; V1033-T1040 HydrophobicContact CG2-CG2 3.81Å
1034	T	85.4	Confident	75.2	Confident	116 Å²	116	72.9 Å²	72.9	71%	0.712	39%	0.392	S	S	*	.	H	α-helix	trans	-60.8	-39.7	177.7	-49.8	0	0	0	0	111.8	R1030 G1031 G1036	R1030-T1034 PolarHBondContact O-N 3.24Å; R1030-T1034 PolarHBondContact O-OG1 3.38Å; G1031-T1034 PolarHBondContact O-N 2.74Å; T1034-G1036 VanDerWaalsContact C-N 3.26Å; T1034-G1036 PolarHBondContact O-N 3.27Å
1035	K	82.9	Confident	74.3	Confident	87 Å²	87	76.3 Å²	76.3	38%	0.378	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.8	175.2	-61.9	-166.6	-177.4	-165.9	0	113.9	L998 V999 D1000 G1031 V1033 L1037	L998-K1035 WeakPolarHBondContact O-CD 3.38Å; L998-K1035 PolarHBondContact O-NZ 3.08Å; V999-K1035 WeakPolarHBondContact O-CE 3.39Å; D1000-K1035 IonicContact OD1-NZ 3.27Å; D1000-K1035 WeakPolarHBondContact OD2-CE 3.31Å; D1000-K1035 IonicContact OD2-NZ 3.5Å; D1000-K1035 PolarHBondContact OD2-NZ 2.66Å; G1031-K1035 PolarHBondContact O-N 3.32Å; V1033-K1035 VanDerWaalsContact C-N 3.31Å; V1033-K1035 PolarHBondContact O-N 3.35Å; K1035-L1037 HydrophobicContact CB-CD1 3.65Å; K1035-L1037 PolarHBondContact O-N 3.43Å; K1035-L1037 VanDerWaalsContact O-N 3.14Å
1036	G	81.2	Confident	73.4	Confident	46 Å²	46	80.3 Å²	80.3	47%	0.474	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-6.3	174	0	0	0	0	0	116.9	L1032 V1033 T1034 V1038	L1032-G1036 PolarHBondContact O-N 3.24Å; V1033-G1036 PolarHBondContact O-N 3.38Å; T1034-G1036 VanDerWaalsContact C-N 3.26Å; T1034-G1036 PolarHBondContact O-N 3.27Å; G1036-V1038 PolarHBondContact O-N 3.5Å
1037	L	78.4	Confident	72.3	Confident	74 Å²	74	80.3 Å²	80.3	39%	0.387	44%	0.436	S	S	.	.	S	Bend	trans	-64	-25.7	178.2	-70.2	107.9	0	0	0	113	F969 F970 L1032 K1035	F969-L1037 HydrophobicContact CB-CD2 4.49Å; F969-L1037 HydrophobicContact CD1-CB 4.36Å; F970-L1037 HydrophobicContact CD1-CD2 4.45Å; F970-L1037 HydrophobicContact CE1-CD1 4.27Å; F970-L1037 HydrophobicContact CE1-CD2 3.68Å; F970-L1037 HydrophobicContact CZ-CD1 3.98Å; F970-L1037 HydrophobicContact CZ-CD2 3.77Å; L1032-L1037 HydrophobicContact CD2-CB 4.13Å; L1032-L1037 HydrophobicContact CD2-CD1 4.34Å; L1032-L1037 PolarHBondContact O-N 3.11Å; K1035-L1037 HydrophobicContact CB-CD1 3.65Å; K1035-L1037 PolarHBondContact O-N 3.43Å; K1035-L1037 VanDerWaalsContact O-N 3.14Å
1038	V	78.1	Confident	71.2	Confident	18 Å²	18	83.1 Å²	83.1	11%	0.109	45%	0.453	C	S	.	.	S	Bend	trans	-109	93.4	170.2	175.7	0	0	0	0	109.6	W936 F969 Y1029 L1032 V1033 G1036 T1040	W936-V1038 HydrophobicContact CZ2-CG2 4.14Å; F969-V1038 HydrophobicContact CE1-CG2 3.65Å; F969-V1038 HydrophobicContact CZ-CG2 3.82Å; Y1029-V1038 HydrophobicContact CE2-CG1 3.94Å; L1032-V1038 HydrophobicContact CB-CB 4.35Å; L1032-V1038 HydrophobicContact CB-CG2 3.76Å; L1032-V1038 HydrophobicContact CD1-CG2 4.17Å; L1032-V1038 PolarHBondContact O-N 2.74Å; L1032-V1038 VanDerWaalsContact O-N 3.08Å; V1033-V1038 HydrophobicContact CG2-CB 3.78Å; V1033-V1038 HydrophobicContact CG2-CG1 3.76Å; G1036-V1038 PolarHBondContact O-N 3.5Å; V1038-T1040 PolarHBondContact O-N 2.93Å
1039	K	62	Low	70	Confident	188 Å²	188	88.1 Å²	88.1	82%	0.817	48%	0.48	S	S	*	.			trans	-62.4	96.7	170.3	-79.4	-173.7	174.4	-179.9	0	110.9
1040	T	56.2	Low	68.6	Low	50 Å²	50	89.7 Å²	89.7	31%	0.307	50%	0.496	S	S	.	.			trans	-70.2	145.8	162.5	70.3	0	0	0	0	109.3	V1033 V1038 N1042 S1043	V1033-T1040 HydrophobicContact CG1-CG2 3.89Å; V1033-T1040 HydrophobicContact CG2-CG2 3.81Å; V1038-T1040 PolarHBondContact O-N 2.93Å; T1040-N1042 PolarHBondContact O-N 3.38Å; T1040-S1043 PolarHBondContact O-N 3.43Å; T1040-S1043 PolarHBondContact O-OG 3.37Å
1041	K	44.3	Very low	67.1	Low	188 Å²	188	86.9 Å²	86.9	82%	0.817	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	14	-170.9	-160.8	179.3	170.8	178.6	0	114.8	R55	R55-K1041 PolarHBondContact NH2-O 3.01Å
1042	N	42.9	Very low	65.6	Low	124 Å²	124	92.6 Å²	92.6	66%	0.663	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	11.3	-173.2	-62.1	-9.7	0	0	0	112.8	R55 T1040	R55-N1042 PolarHBondContact NH2-OD1 3.41Å; T1040-N1042 PolarHBondContact O-N 3.38Å
1043	S	32.3	Very low	63.6	Low	75 Å²	75	100.3 Å²	100.3	52%	0.524	57%	0.568	S	S	.	*			trans	-105.5	52.1	180	51.4	0	0	0	0	112	T1040	T1040-S1043 PolarHBondContact O-N 3.43Å; T1040-S1043 PolarHBondContact O-OG 3.37Å
1044	S	30.4	Very low	61.3	Low	193 Å²	193	105.4 Å²	105.4	100%	1.35	59%	0.594	S	S	*	*			trans	-158.5	0	173.1	-57.1	0	0	0	0	108.8

Retrieved 1,044 of 1,044 residues in 487.4 ms (Link to these results)

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