A0A5K4FEK8_SCHMA Loading...

DH domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,800 aa.

						>A0A5K4FEK8_SCHMA|A0A5K4FEK8
MLQFYFGLYGLALFLCFLGFLYALIEKAYKWLTSNVKKSHLSNYSEVISSSSNQNGIPHKKVPIIVEKVEPNSLMDAVKISESSESSYNQENNENQLQDSDISTPTEEMKTIMMNKKYIDNNHDQNHVKLDTSLKSFSERRQERRKRYKAKKGQNSSFGCYSMNSSIDEYDNGNIFLEDSDETTNVNNYSVLSDSNDSQPDYFILETHNMCELRNSIQITNLDDNEIDNLNHNDMNTMDKTDSLDDLLEKNIQFCEETCELGLKDCLLLVPKYNTVDSTEYKQSTEMKEGQMNGNQSPDSNMKSKINQDRESNSPSIASDAPVPKTRRLSLRSKRSFDCSFELWDENYFSVERKISQLEGVHYAAFNINKVKRENSPELVNLIEDQQVTCLDADNPDNWVVRIHPVLQHVNSLHKQIKKDNTQSDSQIIDETDYMNDLVEVSVSNSQELSRACEEIKKIGRVKAVYLTRNLKSAQRGKRNPRESFREDVISFSNKQQESRMKLRYTLTELCDTELEYSRALRQLSDILDSLNGKIILKCSDNSEKILDYPKSIHDNIKGLQYTLKRIIEFCGMFLEKLPLYSSDPGKSAECFTKTPDRWYDYTIFFIHLNYFINDLLQITTQNIEILFSLSNTNFIQKSTILMNNLIDPSLLNQCNYISIKNLLDLLNLPKKRLYIYNGLLNDIIRYIKNNYSSLLNNVELAMIYISRVQRCSEEFIHFWLKVDINFNEIFNINNLNENKLLLFDDCIPPPIIRITDIKIGQHKNIQLDQNEMKMERLILLPDHLLSLKNVNEDNSVYCWKVNRIINLDELRVGEYGNDGNDEKSFELWNISGEAPIKLIFRITCPNIISRNAWVEDIRYAIKEKLHNSIESANISKSIVESHIEAYWNSKKRFSGIMELSPCPSESINEMYFDAIENIQQINTQNIHTTQLSHIDKCEVIKTSFNQKSTSSSSYYTAEEPIDENEKDQAPSTKLFESYSTLDGVQTPFSEDQQSLADFQMSPENQLKLTNFMQTNVFNPITKELDLPIGKLLEIQVKIDEETVWKLMNNSKENIQVNWYQNSTLIEPSSTCEMLKINDRFILRSTTNHLQPDKLYNYTCILRLPENSSMSPAPSITIPVSFHCPTVKELETEFKNCIDKNKVTVENNPVFEVELEEDDAFQLKIPIQNGSQNQDFVVWWTHEDELLTGNHLTSNEREYNCSFELNKQSNEMMTKLSKTSTGTTDSGIYKCWTVSQSLKDNAVQCTNVRVKVRQEEARQSEKLNDKEKEEGEKLQEDKISMIDGVETNHLSKKDVEINKEVPSMKKEEEEDLKKRGSDVMKRKEEIVRLKQDEEETPKKQVEEKGKDREEEEEAEMKRNEEEKAESTRGEKVESKRKEEETVKKEEEVERKRKEEEKAESTRGEKVETKRKEEETVKKEEEVERKRKEEEKAESIQGEKVESKRKEEETVKKEEEVERKRKEEEKAEGTRGEKVESKRKEEETVKKEEEVERKRKEEEKAESTRGEKVESKRKEEETVKKEEEEVERKRKEEEKAEGTRGEKVESKRKEEETVKKEEEVERKRKEEEKAESTRGEKVETKRKEEETVKKEEEEVERKRNEEEKAESTRGEKVESKRKEEETVKKEEEVERKRKEEEKAESTRGEKVETKRKEEETVKKEEEVERKRKEEEKAESTRGEKVESKRKEEETVKKEEEVERKRKEEEKAEGTRGEKVETKRKEEETVKKEEEEVERKRKEEEKAESTRGEKVESKRKEEETVKKEEEEVERKRKEEEKAEGTRGEKVESKRKRRRNCQEGRRS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	59.3	Low	80.6	Confident	164 Å²	164	119.7 Å²	119.7	81%	0.808	59%	0.594	S	S	*	*				0	-82.1	0	-57.8	-45.3	-87.9	0	0	112.6	Q3 F4 Y5	M1-Q3 PolarHBondContact O-N 2.88Å; M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.23Å; M1-Y5 HydrophobicContact CE-CE2 4.06Å; M1-Y5 WeakPolarHBondContact O-CD2 3.44Å; M1-Y5 PolarHBondContact O-N 3.41Å; M1-Y5 VanDerWaalsContact O-N 3.1Å
2	L	64.6	Low	81.4	Confident	133 Å²	133	113.6 Å²	113.6	70%	0.696	58%	0.576	S	S	*	*	H	α-helix	trans	-55	-46.5	-168.5	-146	84.2	0	0	0	114.2	F4 Y5 F6	L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 2.94Å; L2-Y5 PolarHBondContact O-N 3.35Å; L2-F6 HydrophobicContact CD2-CE2 4.07Å; L2-F6 HydrophobicContact CG-CD2 4.38Å; L2-F6 HydrophobicContact CG-CE2 4.28Å; L2-F6 WeakPolarHBondContact O-CD2 3.37Å; L2-F6 PolarHBondContact O-N 3.26Å
3	Q	71.4	Confident	82.1	Confident	178 Å²	178	114.2 Å²	114.2	83%	0.832	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-30.6	174.9	-74.8	171.1	-46.9	0	0	114	M1 F6 G7	M1-Q3 PolarHBondContact O-N 2.88Å; Q3-F6 PolarHBondContact O-N 2.83Å; Q3-G7 PolarHBondContact O-N 2.82Å
4	F	81.2	Confident	82.9	Confident	140 Å²	140	114.7 Å²	114.7	61%	0.614	58%	0.577	S	S	*	*	H	α-helix	trans	-72.7	-38.8	177.1	-176.1	-100.6	0	0	0	111.1	M1 L2 G7 L8	M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.23Å; L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 2.94Å; F4-G7 PolarHBondContact O-N 3.27Å; F4-L8 HydrophobicContact CD1-CD1 3.89Å; F4-L8 HydrophobicContact CE1-CD1 3.5Å; F4-L8 VanDerWaalsContact CE1-CD1 3.5Å; F4-L8 HydrophobicContact CE1-CG 4.31Å; F4-L8 HydrophobicContact CZ-CD1 4.13Å; F4-L8 PolarHBondContact O-N 2.85Å
5	Y	85.4	Confident	83.5	Confident	124 Å²	124	114 Å²	114	49%	0.486	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-41.3	169.4	-71.9	-67.4	0	0	0	111.9	M1 L2 G7 L8 Y9	M1-Y5 HydrophobicContact CE-CE2 4.06Å; M1-Y5 WeakPolarHBondContact O-CD2 3.44Å; M1-Y5 PolarHBondContact O-N 3.41Å; M1-Y5 VanDerWaalsContact O-N 3.1Å; L2-Y5 PolarHBondContact O-N 3.35Å; Y5-G7 VanDerWaalsContact C-N 3.29Å; Y5-G7 PolarHBondContact O-N 3.1Å; Y5-L8 PolarHBondContact O-N 2.86Å; Y5-Y9 WeakPolarHBondContact O-CB 3.5Å; Y5-Y9 WeakPolarHBondContact O-CD2 3.28Å; Y5-Y9 PolarHBondContact O-N 3.27Å
6	F	85	Confident	83.8	Confident	147 Å²	147	112.5 Å²	112.5	65%	0.645	58%	0.577	S	S	*	*	H	α-helix	trans	-60.9	-36.7	171.7	-88.9	-70.6	0	0	0	112.6	L2 Q3 G10	L2-F6 HydrophobicContact CD2-CE2 4.07Å; L2-F6 HydrophobicContact CG-CD2 4.38Å; L2-F6 HydrophobicContact CG-CE2 4.28Å; L2-F6 WeakPolarHBondContact O-CD2 3.37Å; L2-F6 PolarHBondContact O-N 3.26Å; Q3-F6 PolarHBondContact O-N 2.83Å; F6-G10 PolarHBondContact O-N 3.44Å
7	G	85.8	Confident	84.3	Confident	45 Å²	45	112.8 Å²	112.8	46%	0.464	57%	0.574	S	S	.	*	H	α-helix	trans	-63.5	-46.6	172.3	0	0	0	0	0	112.8	Q3 F4 Y5 G10 L11	Q3-G7 PolarHBondContact O-N 2.82Å; F4-G7 PolarHBondContact O-N 3.27Å; Y5-G7 VanDerWaalsContact C-N 3.29Å; Y5-G7 PolarHBondContact O-N 3.1Å; G7-G10 PolarHBondContact O-N 3.26Å; G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 PolarHBondContact O-N 2.85Å
8	L	86	Confident	84.6	Confident	84 Å²	84	110.9 Å²	110.9	44%	0.44	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-41.5	175.8	-80.4	168.5	0	0	0	112.8	F4 Y5 G10 L11 A12	F4-L8 HydrophobicContact CD1-CD1 3.89Å; F4-L8 HydrophobicContact CE1-CD1 3.5Å; F4-L8 VanDerWaalsContact CE1-CD1 3.5Å; F4-L8 HydrophobicContact CE1-CG 4.31Å; F4-L8 HydrophobicContact CZ-CD1 4.13Å; F4-L8 PolarHBondContact O-N 2.85Å; Y5-L8 PolarHBondContact O-N 2.86Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 2.91Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.48Å
9	Y	88.7	Confident	84.8	Confident	164 Å²	164	107.3 Å²	107.3	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-65.6	-36.7	172.7	-90.8	-77.7	0	0	0	111.7	Y5 A12 L13	Y5-Y9 WeakPolarHBondContact O-CB 3.5Å; Y5-Y9 WeakPolarHBondContact O-CD2 3.28Å; Y5-Y9 PolarHBondContact O-N 3.27Å; Y9-A12 PolarHBondContact O-N 3.36Å; Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 WeakPolarHBondContact O-CD1 3.43Å; Y9-L13 WeakPolarHBondContact O-CG 3.25Å; Y9-L13 PolarHBondContact O-N 2.84Å
10	G	90.5	Very high	85.1	Confident	36 Å²	36	107.8 Å²	107.8	37%	0.371	56%	0.556	S	S	.	*	H	α-helix	trans	-63.4	-43.7	172.3	0	0	0	0	0	112.6	F6 G7 L8 L13 F14	F6-G10 PolarHBondContact O-N 3.44Å; G7-G10 PolarHBondContact O-N 3.26Å; L8-G10 VanDerWaalsContact C-N 3.33Å; G10-L13 PolarHBondContact O-N 3.34Å; G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 PolarHBondContact O-N 3.47Å
11	L	88.8	Confident	85.2	Confident	102 Å²	102	105.9 Å²	105.9	53%	0.534	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-43	175.4	-163.9	95.1	0	0	0	111.5	G7 L8 F14 L15	G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 2.91Å; L11-F14 PolarHBondContact O-N 2.81Å; L11-L15 HydrophobicContact CD2-CD1 4.24Å; L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 3.3Å
12	A	90	Very high	86.5	Confident	46 Å²	46	105.8 Å²	105.8	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.6	0	0	0	0	0	111.6	L8 Y9 F14 L15 C16	L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.48Å; Y9-A12 PolarHBondContact O-N 3.36Å; A12-F14 VanDerWaalsContact C-N 3.33Å; A12-F14 PolarHBondContact O-N 3.46Å; A12-L15 PolarHBondContact O-N 3.44Å; A12-C16 WeakPolarHBondContact O-CB 3.33Å; A12-C16 PolarHBondContact O-N 2.85Å; A12-C16 PolarHBondContact O-SG 2.9Å
13	L	90.9	Very high	87.5	Confident	122 Å²	122	101.8 Å²	101.8	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-62.2	-38.9	173.1	-76.7	167	0	0	0	111.9	Y9 G10 C16 F17	Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 WeakPolarHBondContact O-CD1 3.43Å; Y9-L13 WeakPolarHBondContact O-CG 3.25Å; Y9-L13 PolarHBondContact O-N 2.84Å; G10-L13 PolarHBondContact O-N 3.34Å; L13-C16 PolarHBondContact O-N 2.85Å; L13-F17 VanDerWaalsContact O-CB 3.25Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.26Å
14	F	92.4	Very high	88.2	Confident	121 Å²	121	97.3 Å²	97.3	53%	0.531	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175.7	-178	-108.7	0	0	0	112.2	G10 L11 A12 F17 L18	G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 PolarHBondContact O-N 3.47Å; L11-F14 PolarHBondContact O-N 2.81Å; A12-F14 VanDerWaalsContact C-N 3.33Å; A12-F14 PolarHBondContact O-N 3.46Å; F14-F17 CarbonylContact O-C 3.57Å; F14-F17 PolarHBondContact O-N 3.14Å; F14-L18 HydrophobicContact CD1-CD1 3.88Å; F14-L18 HydrophobicContact CE1-CD1 3.48Å; F14-L18 VanDerWaalsContact CE1-CD1 3.48Å; F14-L18 HydrophobicContact CE1-CG 4.21Å; F14-L18 HydrophobicContact CZ-CD1 3.93Å; F14-L18 HydrophobicContact CZ-CG 4.24Å; F14-L18 WeakPolarHBondContact O-CB 3.43Å; F14-L18 WeakPolarHBondContact O-CG 3.34Å; F14-L18 PolarHBondContact O-N 3.41Å
15	L	91.9	Very high	88.4	Confident	104 Å²	104	95.8 Å²	95.8	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-40	173.9	-70.8	168.7	0	0	0	112	L11 A12 F17 L18 G19	L11-L15 HydrophobicContact CD2-CD1 4.24Å; L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 3.3Å; A12-L15 PolarHBondContact O-N 3.44Å; L15-F17 VanDerWaalsContact C-N 3.32Å; L15-F17 PolarHBondContact O-N 3.41Å; L15-L18 HydrophobicContact CD2-CD1 4.44Å; L15-L18 PolarHBondContact O-N 3.01Å; L15-G19 PolarHBondContact O-N 3.04Å
16	C	89.8	Confident	88.3	Confident	90 Å²	90	93.8 Å²	93.8	61%	0.608	50%	0.498	S	S	*	.	H	α-helix	trans	-64.1	-36.3	170.7	-70.7	0	0	0	0	112.1	A12 L13 G19 F20	A12-C16 WeakPolarHBondContact O-CB 3.33Å; A12-C16 PolarHBondContact O-N 2.85Å; A12-C16 PolarHBondContact O-SG 2.9Å; L13-C16 PolarHBondContact O-N 2.85Å; C16-G19 PolarHBondContact O-N 2.85Å; C16-F20 VanDerWaalsContact O-CB 3.31Å; C16-F20 WeakPolarHBondContact O-CB 3.18Å; C16-F20 PolarHBondContact O-N 3.23Å
17	F	92	Very high	88.1	Confident	118 Å²	118	94.2 Å²	94.2	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-71.2	-36.7	176.4	-169.8	-103.1	0	0	0	112.1	L13 F14 L15 F20 L21	L13-F17 VanDerWaalsContact O-CB 3.25Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.26Å; F14-F17 CarbonylContact O-C 3.57Å; F14-F17 PolarHBondContact O-N 3.14Å; L15-F17 VanDerWaalsContact C-N 3.32Å; L15-F17 PolarHBondContact O-N 3.41Å; F17-F20 PolarHBondContact O-N 2.84Å; F17-L21 HydrophobicContact CD1-CD1 3.77Å; F17-L21 HydrophobicContact CD1-CG 4.39Å; F17-L21 HydrophobicContact CE1-CD1 3.57Å; F17-L21 HydrophobicContact CE1-CG 4.14Å; F17-L21 HydrophobicContact CZ-CD1 4.42Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 2.84Å
18	L	89.3	Confident	87.9	Confident	78 Å²	78	94.7 Å²	94.7	41%	0.408	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-44	169.5	-79	170.5	0	0	0	111.7	F14 L15 F20 L21 Y22	F14-L18 HydrophobicContact CD1-CD1 3.88Å; F14-L18 HydrophobicContact CE1-CD1 3.48Å; F14-L18 VanDerWaalsContact CE1-CD1 3.48Å; F14-L18 HydrophobicContact CE1-CG 4.21Å; F14-L18 HydrophobicContact CZ-CD1 3.93Å; F14-L18 HydrophobicContact CZ-CG 4.24Å; F14-L18 WeakPolarHBondContact O-CB 3.43Å; F14-L18 WeakPolarHBondContact O-CG 3.34Å; F14-L18 PolarHBondContact O-N 3.41Å; L15-L18 HydrophobicContact CD2-CD1 4.44Å; L15-L18 PolarHBondContact O-N 3.01Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 2.87Å; L18-L21 PolarHBondContact O-N 3.22Å; L18-Y22 WeakPolarHBondContact O-CB 3.34Å; L18-Y22 PolarHBondContact O-N 2.93Å
19	G	88.5	Confident	87.6	Confident	42 Å²	42	98.2 Å²	98.2	43%	0.433	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-37.9	173.9	0	0	0	0	0	112.8	L15 C16 Y22 A23	L15-G19 PolarHBondContact O-N 3.04Å; C16-G19 PolarHBondContact O-N 2.85Å; G19-Y22 PolarHBondContact O-N 3.44Å; G19-A23 WeakPolarHBondContact O-CB 3.45Å; G19-A23 PolarHBondContact O-N 2.75Å
20	F	91.1	Very high	87	Confident	118 Å²	118	96.4 Å²	96.4	52%	0.518	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-38.9	174.3	-176.4	-108.6	0	0	0	112.5	C16 F17 L18 A23 L24	C16-F20 VanDerWaalsContact O-CB 3.31Å; C16-F20 WeakPolarHBondContact O-CB 3.18Å; C16-F20 PolarHBondContact O-N 3.23Å; F17-F20 PolarHBondContact O-N 2.84Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 2.87Å; F20-A23 PolarHBondContact O-N 2.95Å; F20-L24 HydrophobicContact CD1-CD1 3.86Å; F20-L24 HydrophobicContact CD1-CG 4.4Å; F20-L24 HydrophobicContact CE1-CD1 3.43Å; F20-L24 VanDerWaalsContact CE1-CD1 3.43Å; F20-L24 HydrophobicContact CE1-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.91Å; F20-L24 HydrophobicContact CZ-CD2 4.44Å; F20-L24 HydrophobicContact CZ-CG 4.15Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 WeakPolarHBondContact O-CG 3.37Å; F20-L24 PolarHBondContact O-N 2.86Å
21	L	86.4	Confident	86.4	Confident	67 Å²	67	102.8 Å²	102.8	35%	0.351	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-45.7	170.2	-90.7	167.2	0	0	0	111.1	F17 L18 L24 I25	F17-L21 HydrophobicContact CD1-CD1 3.77Å; F17-L21 HydrophobicContact CD1-CG 4.39Å; F17-L21 HydrophobicContact CE1-CD1 3.57Å; F17-L21 HydrophobicContact CE1-CG 4.14Å; F17-L21 HydrophobicContact CZ-CD1 4.42Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 2.84Å; L18-L21 PolarHBondContact O-N 3.22Å; L21-L24 CarbonylContact O-C 3.57Å; L21-L24 PolarHBondContact O-N 3.47Å; L21-I25 WeakPolarHBondContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.46Å; L21-I25 PolarHBondContact O-N 3.16Å
22	Y	87.8	Confident	85.3	Confident	162 Å²	162	102.5 Å²	102.5	64%	0.635	51%	0.514	S	S	*	.	H	α-helix	trans	-61.4	-46.7	176.5	-171.3	-87.3	0	0	0	111.1	L18 G19 L24 I25 E26	L18-Y22 WeakPolarHBondContact O-CB 3.34Å; L18-Y22 PolarHBondContact O-N 2.93Å; G19-Y22 PolarHBondContact O-N 3.44Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.4Å; Y22-I25 PolarHBondContact O-N 3.45Å; Y22-E26 WeakPolarHBondContact O-CB 3.48Å; Y22-E26 PolarHBondContact O-N 3.41Å
23	A	84.1	Confident	83.9	Confident	50 Å²	50	102.7 Å²	102.7	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-33.7	175.4	0	0	0	0	0	113	G19 F20 K27	G19-A23 WeakPolarHBondContact O-CB 3.45Å; G19-A23 PolarHBondContact O-N 2.75Å; F20-A23 PolarHBondContact O-N 2.95Å; A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.81Å
24	L	86.4	Confident	82.3	Confident	83 Å²	83	99.6 Å²	99.6	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-69.5	-41.3	171.7	-81.5	177.9	0	0	0	112.1	F20 L21 Y22 K27 A28	F20-L24 HydrophobicContact CD1-CD1 3.86Å; F20-L24 HydrophobicContact CD1-CG 4.4Å; F20-L24 HydrophobicContact CE1-CD1 3.43Å; F20-L24 VanDerWaalsContact CE1-CD1 3.43Å; F20-L24 HydrophobicContact CE1-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.91Å; F20-L24 HydrophobicContact CZ-CD2 4.44Å; F20-L24 HydrophobicContact CZ-CG 4.15Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 WeakPolarHBondContact O-CG 3.37Å; F20-L24 PolarHBondContact O-N 2.86Å; L21-L24 CarbonylContact O-C 3.57Å; L21-L24 PolarHBondContact O-N 3.47Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.4Å; L24-K27 PolarHBondContact O-N 3.5Å; L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 3.32Å
25	I	86.2	Confident	80.3	Confident	109 Å²	109	96.6 Å²	96.6	56%	0.559	49%	0.489	S	S	*	.	H	α-helix	trans	-66	-44.7	176.6	-70.7	162.3	0	0	0	109.9	L21 Y22 A28 Y29	L21-I25 WeakPolarHBondContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.46Å; L21-I25 PolarHBondContact O-N 3.16Å; Y22-I25 PolarHBondContact O-N 3.45Å; I25-A28 PolarHBondContact O-N 3.23Å; I25-Y29 WeakPolarHBondContact O-CB 3.33Å; I25-Y29 PolarHBondContact O-N 2.89Å
26	E	83	Confident	78.3	Confident	82 Å²	82	94.3 Å²	94.3	38%	0.383	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-42.2	176.3	-164.5	-156.4	137	0	0	111.4	Y22 Y29 K30	Y22-E26 WeakPolarHBondContact O-CB 3.48Å; Y22-E26 PolarHBondContact O-N 3.41Å; E26-Y29 PolarHBondContact O-N 3.2Å; E26-K30 HydrophobicContact CG-CD 4.43Å; E26-K30 WeakPolarHBondContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 3.46Å; E26-K30 VanDerWaalsContact OE1-CE 3.29Å; E26-K30 WeakPolarHBondContact OE1-CE 3.3Å; E26-K30 IonicContact OE1-NZ 3.83Å; E26-K30 PolarHBondContact OE1-NZ 3.03Å
27	K	81.6	Confident	76.1	Confident	156 Å²	156	97.5 Å²	97.5	68%	0.678	48%	0.483	S	S	*	.	H	α-helix	trans	-68.9	-38.1	176	-171.8	173.5	-176.4	177.1	0	112.2	A23 L24 W31	A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.81Å; L24-K27 PolarHBondContact O-N 3.5Å; K27-W31 VanDerWaalsContact O-CB 3.26Å; K27-W31 WeakPolarHBondContact O-CB 3.47Å; K27-W31 PolarHBondContact O-N 3.23Å
28	A	81.4	Confident	73.9	Confident	55 Å²	55	98.7 Å²	98.7	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-67	-39.6	173.3	0	0	0	0	0	111	L24 I25 W31 L32	L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 3.32Å; I25-A28 PolarHBondContact O-N 3.23Å; A28-W31 PolarHBondContact O-N 2.99Å; A28-L32 WeakPolarHBondContact O-CB 3.37Å; A28-L32 PolarHBondContact O-N 3.32Å
29	Y	78.2	Confident	71.6	Confident	157 Å²	157	97.2 Å²	97.2	62%	0.616	48%	0.484	S	S	*	.	H	α-helix	trans	-68.3	-40.6	175.6	-173.7	-99.1	0	0	0	111.7	I25 E26 L32 T33	I25-Y29 WeakPolarHBondContact O-CB 3.33Å; I25-Y29 PolarHBondContact O-N 2.89Å; E26-Y29 PolarHBondContact O-N 3.2Å; Y29-L32 PolarHBondContact O-N 2.9Å; Y29-T33 HydrophobicContact CD1-CG2 4.14Å; Y29-T33 HydrophobicContact CD2-CG2 4.44Å; Y29-T33 HydrophobicContact CE1-CG2 3.78Å; Y29-T33 HydrophobicContact CE2-CG2 4.11Å; Y29-T33 HydrophobicContact CG-CG2 4.46Å; Y29-T33 WeakPolarHBondContact O-CB 3.13Å; Y29-T33 WeakPolarHBondContact O-CG2 3.36Å; Y29-T33 PolarHBondContact O-N 2.92Å; Y29-T33 PolarHBondContact O-OG1 3.09Å
30	K	77.5	Confident	69.1	Low	126 Å²	126	101.1 Å²	101.1	55%	0.548	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-38	172	-77.8	174.2	171.1	173.7	0	112.2	E26 T33 S34	E26-K30 HydrophobicContact CG-CD 4.43Å; E26-K30 WeakPolarHBondContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 3.46Å; E26-K30 VanDerWaalsContact OE1-CE 3.29Å; E26-K30 WeakPolarHBondContact OE1-CE 3.3Å; E26-K30 IonicContact OE1-NZ 3.83Å; E26-K30 PolarHBondContact OE1-NZ 3.03Å; K30-T33 PolarHBondContact O-OG1 3.08Å; K30-S34 WeakPolarHBondContact O-CB 3.22Å; K30-S34 PolarHBondContact O-N 2.89Å
31	W	77.1	Confident	66.5	Low	171 Å²	171	99.9 Å²	99.9	65%	0.648	49%	0.489	S	S	*	.	H	α-helix	trans	-69.8	-43.5	174	-174.2	83.9	0	0	0	112	K27 A28 S34 N35	K27-W31 VanDerWaalsContact O-CB 3.26Å; K27-W31 WeakPolarHBondContact O-CB 3.47Å; K27-W31 PolarHBondContact O-N 3.23Å; A28-W31 PolarHBondContact O-N 2.99Å; W31-S34 PolarHBondContact O-N 3.14Å; W31-N35 WeakPolarHBondContact CH2-ND2 3.42Å; W31-N35 WeakPolarHBondContact CZ2-ND2 3.37Å; W31-N35 WeakPolarHBondContact O-CB 3.35Å; W31-N35 PolarHBondContact O-N 3.25Å
32	L	65	Low	64.1	Low	96 Å²	96	98.9 Å²	98.9	50%	0.503	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-50	177.9	-165.7	79.5	0	0	0	110.3	A28 Y29 S34 N35 V36	A28-L32 WeakPolarHBondContact O-CB 3.37Å; A28-L32 PolarHBondContact O-N 3.32Å; Y29-L32 PolarHBondContact O-N 2.9Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 2.96Å; L32-N35 PolarHBondContact O-N 3.34Å; L32-V36 HydrophobicContact CG-CG2 4.13Å; L32-V36 WeakPolarHBondContact O-CB 3.48Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.38Å
33	T	61.7	Low	61.6	Low	49 Å²	49	96 Å²	96	30%	0.301	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-33.5	176.2	52.9	0	0	0	0	112.8	Y29 K30 K37	Y29-T33 HydrophobicContact CD1-CG2 4.14Å; Y29-T33 HydrophobicContact CD2-CG2 4.44Å; Y29-T33 HydrophobicContact CE1-CG2 3.78Å; Y29-T33 HydrophobicContact CE2-CG2 4.11Å; Y29-T33 HydrophobicContact CG-CG2 4.46Å; Y29-T33 WeakPolarHBondContact O-CB 3.13Å; Y29-T33 WeakPolarHBondContact O-CG2 3.36Å; Y29-T33 PolarHBondContact O-N 2.92Å; Y29-T33 PolarHBondContact O-OG1 3.09Å; K30-T33 PolarHBondContact O-OG1 3.08Å; T33-K37 VanDerWaalsContact O-CB 3.31Å; T33-K37 WeakPolarHBondContact O-CB 3.27Å; T33-K37 VanDerWaalsContact O-CG 3.31Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.26Å
34	S	58	Low	59	Low	58 Å²	58	101.8 Å²	101.8	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-44	171.6	-171.1	0	0	0	0	112.1	K30 W31 L32 K38	K30-S34 WeakPolarHBondContact O-CB 3.22Å; K30-S34 PolarHBondContact O-N 2.89Å; W31-S34 PolarHBondContact O-N 3.14Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 2.96Å; S34-K38 WeakPolarHBondContact O-CG 3.33Å; S34-K38 PolarHBondContact O-N 3.12Å
35	N	49.7	Very low	56.4	Low	57 Å²	57	100.6 Å²	100.6	31%	0.305	49%	0.494	S	S	.	.	H	α-helix	trans	-73.4	-37.2	178.7	-77.2	-8.7	0	0	0	113	W31 L32 K38 S39	W31-N35 WeakPolarHBondContact CH2-ND2 3.42Å; W31-N35 WeakPolarHBondContact CZ2-ND2 3.37Å; W31-N35 WeakPolarHBondContact O-CB 3.35Å; W31-N35 PolarHBondContact O-N 3.25Å; L32-N35 PolarHBondContact O-N 3.34Å; N35-K38 CarbonylContact O-C 3.59Å; N35-K38 WeakPolarHBondContact O-CA 3.41Å; N35-K38 PolarHBondContact O-N 3.3Å; N35-K38 VanDerWaalsContact O-N 3.15Å; N35-S39 PolarHBondContact O-N 3.49Å; N35-S39 PolarHBondContact O-OG 3.48Å
36	V	50.2	Low	53.9	Low	57 Å²	57	101.8 Å²	101.8	35%	0.345	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-42.7	174.6	165.8	0	0	0	0	109.9	L32 K38 S39 H40	L32-V36 HydrophobicContact CG-CG2 4.13Å; L32-V36 WeakPolarHBondContact O-CB 3.48Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.38Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 2.9Å; V36-S39 WeakPolarHBondContact CA-OG 3.42Å; V36-S39 PolarHBondContact O-N 2.88Å; V36-S39 PolarHBondContact O-OG 3.33Å; V36-H40 VanDerWaalsContact CG1-CD2 3.49Å; V36-H40 WeakPolarHBondContact CG1-CD2 3.38Å; V36-H40 WeakPolarHBondContact O-CB 3.37Å; V36-H40 PolarHBondContact O-CD2 3.41Å; V36-H40 PolarHBondContact O-N 3.43Å
37	K	43.2	Very low	51.5	Low	157 Å²	157	103.5 Å²	103.5	68%	0.683	51%	0.513	S	S	*	.	H	α-helix	trans	-63.2	-37.3	170.2	-75	-175.3	175.4	-169.6	0	112	T33 L41	T33-K37 VanDerWaalsContact O-CB 3.31Å; T33-K37 WeakPolarHBondContact O-CB 3.27Å; T33-K37 VanDerWaalsContact O-CG 3.31Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.26Å; K37-L41 WeakPolarHBondContact O-CD1 3.32Å; K37-L41 PolarHBondContact O-N 2.91Å
38	K	45.5	Very low	49	Very low	142 Å²	142	102.5 Å²	102.5	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-68.8	-35.3	173.4	-75.8	177.8	176.7	-178.2	0	113.8	S34 N35 V36 L41 S42	S34-K38 WeakPolarHBondContact O-CG 3.33Å; S34-K38 PolarHBondContact O-N 3.12Å; N35-K38 CarbonylContact O-C 3.59Å; N35-K38 WeakPolarHBondContact O-CA 3.41Å; N35-K38 PolarHBondContact O-N 3.3Å; N35-K38 VanDerWaalsContact O-N 3.15Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 2.9Å; K38-L41 PolarHBondContact O-N 2.9Å; K38-S42 PolarHBondContact O-N 3.1Å
39	S	40.5	Very low	46.6	Very low	48 Å²	48	104 Å²	104	34%	0.336	52%	0.521	S	S	.	.	H	α-helix	trans	-79.1	-34.7	179.6	62.9	0	0	0	0	112.9	N35 V36 L41 S42 N43	N35-S39 PolarHBondContact O-N 3.49Å; N35-S39 PolarHBondContact O-OG 3.48Å; V36-S39 WeakPolarHBondContact CA-OG 3.42Å; V36-S39 PolarHBondContact O-N 2.88Å; V36-S39 PolarHBondContact O-OG 3.33Å; S39-L41 VanDerWaalsContact C-N 3.26Å; S39-L41 PolarHBondContact O-N 3.4Å; S39-S42 WeakPolarHBondContact CA-OG 3.21Å; S39-S42 PolarHBondContact O-N 3.22Å; S39-S42 PolarHBondContact O-OG 3.45Å; S39-N43 WeakPolarHBondContact O-CB 3.27Å; S39-N43 VanDerWaalsContact O-CG 3.31Å; S39-N43 PolarHBondContact O-N 3.41Å; S39-N43 PolarHBondContact O-OD1 3.33Å; S39-N43 VanDerWaalsContact O-OD1 3.13Å
40	H	35.7	Very low	44.2	Very low	123 Å²	123	101.5 Å²	101.5	57%	0.569	53%	0.526	S	S	*	.	H	α-helix	trans	-69.5	-24	170.2	-73.1	-67.1	0	0	0	112.6	V36	V36-H40 VanDerWaalsContact CG1-CD2 3.49Å; V36-H40 WeakPolarHBondContact CG1-CD2 3.38Å; V36-H40 WeakPolarHBondContact O-CB 3.37Å; V36-H40 PolarHBondContact O-CD2 3.41Å; V36-H40 PolarHBondContact O-N 3.43Å
41	L	37.4	Very low	41.7	Very low	92 Å²	92	100.5 Å²	100.5	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-78.2	-39.2	165.6	-90.7	85.7	0	0	0	112.9	K37 K38 S39 N43 Y44 S45	K37-L41 WeakPolarHBondContact O-CD1 3.32Å; K37-L41 PolarHBondContact O-N 2.91Å; K38-L41 PolarHBondContact O-N 2.9Å; S39-L41 VanDerWaalsContact C-N 3.26Å; S39-L41 PolarHBondContact O-N 3.4Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.24Å; L41-Y44 PolarHBondContact O-N 2.82Å; L41-S45 PolarHBondContact O-N 3.23Å
42	S	36.5	Very low	39.4	Very low	47 Å²	47	97.8 Å²	97.8	33%	0.329	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-42.3	178.4	65.2	0	0	0	0	112.1	K38 S39 Y44 S45 E46	K38-S42 PolarHBondContact O-N 3.1Å; S39-S42 WeakPolarHBondContact CA-OG 3.21Å; S39-S42 PolarHBondContact O-N 3.22Å; S39-S42 PolarHBondContact O-OG 3.45Å; S42-Y44 PolarHBondContact O-N 2.82Å; S42-S45 WeakPolarHBondContact CA-OG 3.21Å; S42-S45 WeakPolarHBondContact O-CA 3.09Å; S42-S45 PolarHBondContact O-N 3.49Å; S42-S45 PolarHBondContact O-OG 2.74Å; S42-E46 PolarHBondContact O-N 3Å
43	N	34.3	Very low	37.6	Very low	100 Å²	100	100.9 Å²	100.9	54%	0.535	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-19.8	-177.9	-69.1	21.4	0	0	0	113.4	S39 L41	S39-N43 WeakPolarHBondContact O-CB 3.27Å; S39-N43 VanDerWaalsContact O-CG 3.31Å; S39-N43 PolarHBondContact O-N 3.41Å; S39-N43 PolarHBondContact O-OD1 3.33Å; S39-N43 VanDerWaalsContact O-OD1 3.13Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.24Å
44	Y	28.9	Very low	36.1	Very low	173 Å²	173	107 Å²	107	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-87.4	-20.6	168.4	-89.3	-82.6	0	0	0	113.2	L41 S42	L41-Y44 PolarHBondContact O-N 2.82Å; S42-Y44 PolarHBondContact O-N 2.82Å
45	S	33.1	Very low	34.7	Very low	57 Å²	57	112.4 Å²	112.4	40%	0.399	61%	0.609	S	S	.	*	H	α-helix	trans	-84.4	-30.2	176.3	72.3	0	0	0	0	114.3	L41 S42 V47 I48 S49	L41-S45 PolarHBondContact O-N 3.23Å; S42-S45 WeakPolarHBondContact CA-OG 3.21Å; S42-S45 WeakPolarHBondContact O-CA 3.09Å; S42-S45 PolarHBondContact O-N 3.49Å; S42-S45 PolarHBondContact O-OG 2.74Å; S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 2.78Å; S45-I48 PolarHBondContact O-N 3.39Å; S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.44Å
46	E	32.6	Very low	33.5	Very low	134 Å²	134	113.2 Å²	113.2	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-69.1	-26.5	178.2	-79.2	-167.8	133.5	0	0	113.2	S42 I48 S50	S42-E46 PolarHBondContact O-N 3Å; E46-I48 PolarHBondContact O-N 2.83Å; E46-S50 PolarHBondContact O-OG 2.91Å
47	V	32.3	Very low	32.5	Very low	118 Å²	118	117.7 Å²	117.7	72%	0.715	65%	0.651	S	S	*	*	H	α-helix	trans	-68.7	-21	174.4	-178.7	0	0	0	0	112.3	S45	S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 2.78Å
48	I	29.7	Very low	32.3	Very low	136 Å²	136	116 Å²	116	70%	0.697	66%	0.656	S	S	*	*	H	α-helix	trans	-105.3	-25.5	179.5	-61.9	-179.4	0	0	0	112	S45 E46	S45-I48 PolarHBondContact O-N 3.39Å; E46-I48 PolarHBondContact O-N 2.83Å
49	S	31.6	Very low	31.4	Very low	86 Å²	86	116.4 Å²	116.4	60%	0.601	66%	0.66	S	S	*	*	H	α-helix	trans	-83.5	-15.8	-174	-55.8	0	0	0	0	114.9	S45 S51	S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.44Å; S49-S51 PolarHBondContact O-N 2.79Å
50	S	27	Very low	30.8	Very low	105 Å²	105	123.7 Å²	123.7	73%	0.734	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	23.9	-170.9	56.4	0	0	0	0	115.5	E46	E46-S50 PolarHBondContact O-OG 2.91Å
51	S	26.4	Very low	30.5	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	7.5	173.9	61	0	0	0	0	114.7	S49 N53	S49-S51 PolarHBondContact O-N 2.79Å; S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact O-N 3.46Å
52	S	27.5	Very low	29.8	Very low	113 Å²	113	129 Å²	129	79%	0.79	71%	0.714	S	S	*	*			trans	-80	79.7	170.3	-166.8	0	0	0	0	111.3
53	N	27.9	Very low	29.3	Very low	161 Å²	161	131.1 Å²	131.1	86%	0.861	73%	0.726	S	S	*	*			trans	-139.3	130.9	163.1	-116.4	-32.8	0	0	0	111.2	S51 N55	S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact O-N 3.46Å; N53-N55 PolarHBondContact O-N 2.81Å
54	Q	30.1	Very low	28.9	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	74%	0.739	S	S	*	*			trans	-79	122.6	-172.2	-63.7	169.9	-9.4	0	0	110.6
55	N	28.3	Very low	28.7	Very low	170 Å²	170	131.6 Å²	131.6	91%	0.909	74%	0.738	S	S	*	*			trans	-169.2	118.3	137.4	-93.5	-34.4	0	0	0	108.6	N53	N53-N55 PolarHBondContact O-N 2.81Å
56	G	24.9	Very low	28.4	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	75%	0.752	S	S	*	*			trans	-99.1	140.5	-175.4	0	0	0	0	0	112.9
57	I	28.7	Very low	28.1	Very low	151 Å²	151	135.5 Å²	135.5	77%	0.774	76%	0.757	S	S	*	*			trans	-151.9	136.6	145.2	-100.8	148	0	0	0	106.2
58	P	39.8	Very low	27.9	Very low	120 Å²	120	138 Å²	138	78%	0.779	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-84.7	126.6	-152.4	30.5	-35.8	0	0	0	114	K60	P58-K60 PolarHBondContact O-N 3.03Å
59	H	26.2	Very low	27.8	Very low	151 Å²	151	137.7 Å²	137.7	70%	0.699	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-66	129.2	163.3	-99	-93.8	0	0	0	110.5	K61	H59-K61 PolarHBondContact O-N 3.4Å
60	K	28.6	Very low	27.6	Very low	202 Å²	202	139.9 Å²	139.9	88%	0.878	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-62.2	117.2	173.7	-74.4	178	176.5	175.4	0	109	P58 V62	P58-K60 PolarHBondContact O-N 3.03Å; K60-V62 PolarHBondContact O-N 2.9Å
61	K	27.7	Very low	27.9	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.6	165.1	-66.1	-177.6	177.6	-176.1	0	108.4	H59 P63	H59-K61 PolarHBondContact O-N 3.4Å; K61-P63 WeakPolarHBondContact O-CD 3.1Å
62	V	24	Very low	28.3	Very low	131 Å²	131	140.4 Å²	140.4	79%	0.794	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.5	120.8	149.8	177.3	0	0	0	0	105.2	K60 I64	K60-V62 PolarHBondContact O-N 2.9Å; V62-I64 PolarHBondContact O-N 3.11Å
63	P	26.4	Very low	28.7	Very low	92 Å²	92	140.5 Å²	140.5	60%	0.597	76%	0.756	S	S	*	*			trans	-76.8	102.5	-174.5	30.7	-33.1	0	0	0	108.9	K61 I65	K61-P63 WeakPolarHBondContact O-CD 3.1Å; P63-I65 HydrophobicContact CB-CG1 3.92Å; P63-I65 HydrophobicContact CG-CG1 4.38Å; P63-I65 PolarHBondContact O-N 3.36Å
64	I	24.5	Very low	28.8	Very low	154 Å²	154	139.7 Å²	139.7	79%	0.79	75%	0.751	S	S	*	*			trans	-62.8	100.4	148.9	-61.9	177.1	0	0	0	104.8	V62 V66	V62-I64 PolarHBondContact O-N 3.11Å; I64-V66 HydrophobicContact CG2-CG2 4.08Å; I64-V66 PolarHBondContact O-N 2.87Å
65	I	26.3	Very low	28.9	Very low	130 Å²	130	138.6 Å²	138.6	67%	0.667	75%	0.748	S	S	*	*			trans	-77.6	70.5	173.9	-55	179.5	0	0	0	107.2	P63 E67	P63-I65 HydrophobicContact CB-CG1 3.92Å; P63-I65 HydrophobicContact CG-CG1 4.38Å; P63-I65 PolarHBondContact O-N 3.36Å; I65-E67 HydrophobicContact CG2-CB 3.83Å; I65-E67 PolarHBondContact O-N 3.05Å
66	V	26.6	Very low	29.3	Very low	114 Å²	114	136 Å²	136	69%	0.691	73%	0.734	S	S	*	*			trans	-67.4	83.7	140.4	173.8	0	0	0	0	104.4	I64 K68	I64-V66 HydrophobicContact CG2-CG2 4.08Å; I64-V66 PolarHBondContact O-N 2.87Å; V66-K68 PolarHBondContact O-N 2.97Å; V66-K68 VanDerWaalsContact O-N 3.09Å
67	E	26.5	Very low	29.7	Very low	158 Å²	158	136.5 Å²	136.5	74%	0.738	73%	0.731	S	S	*	*			trans	-58.1	115.5	163.2	-179	156.8	-143.3	0	0	105.6	I65 V69	I65-E67 HydrophobicContact CG2-CB 3.83Å; I65-E67 PolarHBondContact O-N 3.05Å; E67-V69 VanDerWaalsContact C-N 3.29Å; E67-V69 PolarHBondContact O-N 3.04Å
68	K	27.3	Very low	29.7	Very low	170 Å²	170	134.9 Å²	134.9	74%	0.739	73%	0.728	S	S	*	*			trans	-67.2	97.5	176.1	-72.2	-176.9	175.7	-174.5	0	106.9	V66 E70	V66-K68 PolarHBondContact O-N 2.97Å; V66-K68 VanDerWaalsContact O-N 3.09Å; K68-E70 HydrophobicContact CB-CG 4.43Å; K68-E70 PolarHBondContact O-N 3.4Å
69	V	27.7	Very low	29	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	72%	0.724	S	S	*	*			trans	-61.6	88.4	159	-178.5	0	0	0	0	106	E67 P71	E67-V69 VanDerWaalsContact C-N 3.29Å; E67-V69 PolarHBondContact O-N 3.04Å; V69-P71 WeakPolarHBondContact O-CD 3.11Å
70	E	27	Very low	29.2	Very low	131 Å²	131	136.8 Å²	136.8	61%	0.612	73%	0.727	S	S	*	*			trans	-62.8	119.7	-179.9	-66.3	-162	149.1	0	0	107.8	K68 N72	K68-E70 HydrophobicContact CB-CG 4.43Å; K68-E70 PolarHBondContact O-N 3.4Å; E70-N72 PolarHBondContact O-N 3.19Å
71	P	33.9	Very low	29.1	Very low	105 Å²	105	131.9 Å²	131.9	68%	0.682	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-70.6	8.9	-171.2	29.2	-36.3	0	0	0	113.7	V69 S73	V69-P71 WeakPolarHBondContact O-CD 3.11Å; P71-S73 VanDerWaalsContact C-N 3.3Å; P71-S73 PolarHBondContact O-N 3.35Å
72	N	34.4	Very low	28.9	Very low	117 Å²	117	132.3 Å²	132.3	63%	0.626	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-76.7	-10.5	-173.1	-63.7	-24.9	0	0	0	113.7	E70	E70-N72 PolarHBondContact O-N 3.19Å
73	S	35.6	Very low	29.2	Very low	114 Å²	114	131 Å²	131	80%	0.797	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-90.1	-9.2	-179.7	-165.9	0	0	0	0	115.2	P71	P71-S73 VanDerWaalsContact C-N 3.3Å; P71-S73 PolarHBondContact O-N 3.35Å
74	L	30.9	Very low	29.3	Very low	145 Å²	145	132.1 Å²	132.1	76%	0.759	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-21.3	179.4	-145.1	81.9	0	0	0	113.6	D76 A77	L74-D76 PolarHBondContact O-N 2.98Å; L74-A77 PolarHBondContact O-N 3.02Å
75	M	31	Very low	29.3	Very low	156 Å²	156	134.2 Å²	134.2	77%	0.768	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-69.9	-26.3	-176	-96.6	-68.8	-175	0	0	114.4	A77	M75-A77 VanDerWaalsContact C-N 3.25Å; M75-A77 PolarHBondContact O-N 3.08Å
76	D	36.4	Very low	29.5	Very low	114 Å²	114	133.2 Å²	133.2	61%	0.61	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-76.7	-8.4	-179.9	-102.5	-39.4	0	0	0	114.1	L74 K79	L74-D76 PolarHBondContact O-N 2.98Å; D76-K79 WeakPolarHBondContact OD1-CE 3.26Å; D76-K79 IonicContact OD1-NZ 2.58Å; D76-K79 PolarHBondContact OD1-NZ 2.99Å
77	A	34.5	Very low	29.4	Very low	86 Å²	86	132.4 Å²	132.4	71%	0.711	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-83.7	-15	179.6	0	0	0	0	0	114.4	L74 M75	L74-A77 PolarHBondContact O-N 3.02Å; M75-A77 VanDerWaalsContact C-N 3.25Å; M75-A77 PolarHBondContact O-N 3.08Å
78	V	27.9	Very low	29.4	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	75%	0.748	S	S	*	*			trans	-122	45.3	-175.5	-161.2	0	0	0	0	111.9	I80	V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3Å
79	K	26.5	Very low	29.4	Very low	160 Å²	160	133 Å²	133	70%	0.696	74%	0.742	S	S	*	*			trans	-79.2	74.2	165.8	-85.7	173.7	173.8	156.8	0	111.4	D76	D76-K79 WeakPolarHBondContact OD1-CE 3.26Å; D76-K79 IonicContact OD1-NZ 2.58Å; D76-K79 PolarHBondContact OD1-NZ 2.99Å
80	I	28.6	Very low	29.3	Very low	150 Å²	150	135 Å²	135	77%	0.769	74%	0.743	S	S	*	*			trans	-112.2	82.6	162.9	-56.7	-175.8	0	0	0	108.6	V78 E82	V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3Å; I80-E82 PolarHBondContact O-N 2.93Å
81	S	26.8	Very low	29.3	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	75%	0.748	S	S	*	*			trans	15.6	98.8	160.4	57.1	0	0	0	0	117.9
82	E	23.6	Very low	28.9	Very low	203 Å²	203	136.5 Å²	136.5	95%	0.949	74%	0.744	S	S	*	*			trans	-58.3	137.2	146.3	-62.3	174.6	141.5	0	0	109	I80	I80-E82 PolarHBondContact O-N 2.93Å
83	S	30.4	Very low	28.6	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	75%	0.746	S	S	*	*			trans	-135	93.1	175.5	62.4	0	0	0	0	112.1
84	S	29.6	Very low	28	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	75%	0.747	S	S	*	*			trans	53.2	109.9	155.6	57.5	0	0	0	0	118.9
85	E	24.1	Very low	28	Very low	198 Å²	198	140.7 Å²	140.7	93%	0.925	75%	0.753	S	S	*	*			trans	-64.1	141.5	155.4	-54.2	170.9	111.6	0	0	111.7
86	S	29.7	Very low	27.7	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	76%	0.755	S	S	*	*			trans	-162.3	94.2	148.6	61.2	0	0	0	0	107.8
87	S	25	Very low	27.3	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	77%	0.771	S	S	*	*				51	97.7	70.4	-170.5	0	0	0	0	112.7
88	Y	26.8	Very low	26.8	Very low	224 Å²	224	148 Å²	148	88%	0.878	77%	0.772	S	S	*	*			trans	-153.1	123.9	140.4	-114.4	-75.4	0	0	0	111.6
89	N	28	Very low	26.6	Very low	117 Å²	117	148.9 Å²	148.9	63%	0.626	77%	0.772	S	S	*	*			trans	-31.3	140.7	170	-56.3	-19.8	0	0	0	114.8
90	Q	24.8	Very low	26.5	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	78%	0.778	S	S	*	*				65.8	148.9	62.5	-173.7	179.7	-3.2	0	0	112.8
91	E	26.1	Very low	26.4	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	78%	0.781	S	S	*	*			trans	85.6	141	-175.1	-64.3	-173	-143.6	0	0	115
92	N	26.9	Very low	26.4	Very low	112 Å²	112	150.7 Å²	150.7	60%	0.599	79%	0.791	S	S	*	*			cis	-154.4	159.7	5.5	-117	-21.3	0	0	0	113.9
93	N	27.5	Very low	26.4	Very low	122 Å²	122	146.2 Å²	146.2	65%	0.652	78%	0.782	S	S	*	*			trans	54.8	116.7	154.6	-55.1	-20.8	0	0	0	118.7
94	E	23.6	Very low	26.1	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	78%	0.782	S	S	*	*				55.4	113.7	75.8	-67.9	-160	154.5	0	0	114.9
95	N	29.4	Very low	26	Very low	167 Å²	167	147.5 Å²	147.5	89%	0.893	78%	0.783	S	S	*	*				-159.9	155.1	124.9	-109	-74.4	0	0	0	111.2
96	Q	24.6	Very low	26	Very low	175 Å²	175	143.6 Å²	143.6	82%	0.818	77%	0.773	S	S	*	*			trans	-88	153.6	-174.6	-60.4	164.2	-1.9	0	0	111.8
97	L	28.1	Very low	25.9	Very low	180 Å²	180	145 Å²	145	94%	0.942	77%	0.767	S	S	*	*			trans	-158.9	144.2	142.1	-111.8	154.9	0	0	0	110.5
98	Q	24	Very low	26	Very low	154 Å²	154	149.5 Å²	149.5	72%	0.72	78%	0.777	S	S	*	*			trans	-106.8	156.1	-170.7	-90.7	-179.1	-104.9	0	0	112.7
99	D	23.4	Very low	25.9	Very low	137 Å²	137	146.5 Å²	146.5	73%	0.733	77%	0.774	S	S	*	*			trans	41.4	115.5	140.8	-47.7	-25.7	0	0	0	120.7
100	S	25.4	Very low	25.7	Very low	117 Å²	117	148.5 Å²	148.5	82%	0.818	78%	0.777	S	S	*	*			trans	-162.1	134.6	133.8	63.3	0	0	0	0	111.4
101	D	25.5	Very low	25.6	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	77%	0.774	S	S	*	*			trans	-65.1	162	175.8	-56.7	-94.9	0	0	0	114.2
102	I	26.8	Very low	25.6	Very low	175 Å²	175	145 Å²	145	90%	0.897	77%	0.772	S	S	*	*			trans	-153.3	140.1	139.5	-105.9	152.6	0	0	0	109.8
103	S	24.6	Very low	25.5	Very low	108 Å²	108	147.6 Å²	147.6	76%	0.755	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-94.1	164.4	-167	55.6	0	0	0	0	115.1
104	T	24	Very low	25.4	Very low	116 Å²	116	149.5 Å²	149.5	71%	0.712	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-57.3	142	177.5	49.7	0	0	0	0	115
105	P	27.4	Very low	25.6	Very low	129 Å²	129	148.4 Å²	148.4	84%	0.838	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-79.5	133.1	158.2	32.4	-31.5	0	0	0	111.3
106	T	23.9	Very low	25.4	Very low	117 Å²	117	149.5 Å²	149.5	72%	0.718	79%	0.786	S	S	*	*			trans	-142.9	117.6	169	50.8	0	0	0	0	110.5
107	E	27.8	Very low	25.5	Very low	140 Å²	140	149.5 Å²	149.5	65%	0.654	78%	0.783	S	S	*	*			trans	173.7	107.2	146.1	-97.5	-65.9	126.9	0	0	107.4	K110	E107-K110 IonicContact OE1-NZ 2.68Å; E107-K110 PolarHBondContact OE1-NZ 2.89Å; E107-K110 IonicContact OE2-NZ 2.69Å; E107-K110 PolarHBondContact OE2-NZ 2.67Å
108	E	27.6	Very low	25.3	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	78%	0.775	S	S	*	*			trans	-146.3	152.9	147.8	-129.6	169.1	-153.5	0	0	109.1
109	M	23.3	Very low	25.4	Very low	162 Å²	162	150.4 Å²	150.4	80%	0.798	78%	0.779	S	S	*	*			trans	-71.7	150.7	-149	-63.7	176.3	177.7	0	0	114.5
110	K	24.2	Very low	25.3	Very low	158 Å²	158	149.4 Å²	149.4	69%	0.687	77%	0.773	S	S	*	*			cis	69.9	42.2	34.2	-62.8	-173.8	-167	137.5	0	117.5	E107	E107-K110 IonicContact OE1-NZ 2.68Å; E107-K110 PolarHBondContact OE1-NZ 2.89Å; E107-K110 IonicContact OE2-NZ 2.69Å; E107-K110 PolarHBondContact OE2-NZ 2.67Å
111	T	23.9	Very low	25.3	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	77%	0.766	S	S	*	*			trans	-149	137.4	149.9	-28.7	0	0	0	0	106.6
112	I	25.1	Very low	25.3	Very low	133 Å²	133	149.3 Å²	149.3	68%	0.682	76%	0.764	S	S	*	*			cis	-142.6	131.6	37.2	-67.2	159	0	0	0	111.4
113	M	24.6	Very low	25.1	Very low	165 Å²	165	147.8 Å²	147.8	81%	0.813	75%	0.753	S	S	*	*			trans	-95.1	177	167.7	-70.3	-165.8	-170.6	0	0	112.7
114	M	25.3	Very low	25.3	Very low	162 Å²	162	150.1 Å²	150.1	80%	0.798	76%	0.757	S	S	*	*			trans	79.2	140.3	167.1	-44	-159.3	-167	0	0	114.2
115	N	29	Very low	25.3	Very low	153 Å²	153	149.8 Å²	149.8	82%	0.818	75%	0.747	S	S	*	*			cis	-130.3	169.2	34.8	-98.2	-63.1	0	0	0	116.4
116	K	25.4	Very low	25.4	Very low	190 Å²	190	151.4 Å²	151.4	83%	0.826	75%	0.749	S	S	*	*			trans	-162.7	122.7	-171.1	171.3	-153.3	174.2	-164.5	0	111.3
117	K	27	Very low	25.5	Very low	175 Å²	175	153.6 Å²	153.6	76%	0.761	75%	0.751	S	S	*	*			trans	-147.6	130.8	171.8	-72.7	-159.6	169.8	-177.6	0	109.5
118	Y	23.2	Very low	25.5	Very low	195 Å²	195	153.5 Å²	153.5	77%	0.765	76%	0.759	S	S	*	*				58.7	140.4	101.6	-59.3	-63.2	0	0	0	113.5
119	I	25.1	Very low	25.6	Very low	158 Å²	158	153.7 Å²	153.7	81%	0.81	76%	0.757	S	S	*	*			cis	-134.8	147.7	10.8	-73.9	92.8	0	0	0	107.2
120	D	22.9	Very low	25.7	Very low	115 Å²	115	151.3 Å²	151.3	62%	0.615	75%	0.747	S	S	*	*			cis	107.7	137.2	8.8	-161.2	30.7	0	0	0	117.2
121	N	24.1	Very low	25.9	Very low	122 Å²	122	151.2 Å²	151.2	65%	0.652	75%	0.754	S	S	*	*			trans	54.8	119.6	176	-59.4	-58.1	0	0	0	122.6
122	N	25.2	Very low	26.2	Very low	150 Å²	150	151.1 Å²	151.1	80%	0.802	75%	0.753	S	S	*	*				146.3	108.8	127.5	-73.9	-37.5	0	0	0	109.2
123	H	22.7	Very low	26.7	Very low	143 Å²	143	149 Å²	149	66%	0.662	75%	0.751	S	S	*	*				60.3	98.7	60.1	-158.4	86.7	0	0	0	112.5	Q125	H123-Q125 PolarHBondContact NE2-NE2 2.81Å
124	D	28.8	Very low	27.3	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	76%	0.757	S	S	*	*			trans	-146.8	151.5	144	-135.8	-25.9	0	0	0	111.5
125	Q	25.6	Very low	27.9	Very low	109 Å²	109	146 Å²	146	51%	0.509	74%	0.736	S	S	.	*			trans	-105.8	137.1	-168.3	-58.5	173.6	10.4	0	0	110.8	H123	H123-Q125 PolarHBondContact NE2-NE2 2.81Å
126	N	28.7	Very low	28.5	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	71%	0.712	S	S	*	*			trans	-131.8	98	163.5	-96.8	-64.4	0	0	0	111.2	V128	N126-V128 PolarHBondContact O-N 2.93Å
127	H	25.2	Very low	29.3	Very low	164 Å²	164	138.6 Å²	138.6	76%	0.759	70%	0.702	S	S	*	*			trans	-75.1	106.9	177.4	-79.5	-108.4	0	0	0	111
128	V	29.6	Very low	30.1	Very low	137 Å²	137	134.1 Å²	134.1	83%	0.83	69%	0.693	S	S	*	*			trans	-98	116.2	161.4	-176.8	0	0	0	0	108.4	N126	N126-V128 PolarHBondContact O-N 2.93Å
129	K	28.4	Very low	32	Very low	195 Å²	195	128.7 Å²	128.7	85%	0.848	68%	0.675	S	S	*	*			trans	-61.4	145.7	175.9	-75.1	-179.5	174.7	-178.7	0	110.1
130	L	25.2	Very low	33.6	Very low	111 Å²	111	127.8 Å²	127.8	58%	0.581	66%	0.661	S	S	*	*			trans	-117.2	91.7	-176.3	-162.9	116.8	0	0	0	108.6	T132	L130-T132 HydrophobicContact CD2-CG2 4.36Å
131	D	30	Very low	35	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	66%	0.658	S	S	*	*			trans	-62.9	137.3	176.8	-80.4	-42.9	0	0	0	111
132	T	29.1	Very low	37.1	Very low	121 Å²	121	128.8 Å²	128.8	74%	0.742	65%	0.652	S	S	*	*			trans	-116.2	68.4	-165.9	36.8	0	0	0	0	111.9	L130	L130-T132 HydrophobicContact CD2-CG2 4.36Å
133	S	34.9	Very low	39.3	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	63%	0.626	S	S	*	*			trans	-99.6	143.8	161.1	62.1	0	0	0	0	111.1	K135	S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 3.01Å
134	L	37.3	Very low	41.1	Very low	182 Å²	182	126.4 Å²	126.4	95%	0.953	63%	0.628	S	S	*	*			trans	-79.1	69.1	-171.8	-82.8	163	0	0	0	112.4	S136	L134-S136 PolarHBondContact O-N 2.76Å
135	K	39.2	Very low	42.7	Very low	81 Å²	81	127.5 Å²	127.5	35%	0.352	62%	0.621	S	S	.	*			trans	-57.1	133.8	177.8	-69.4	-171.1	168.6	167.1	0	112.7	S133 E139 R140 E143	S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 3.01Å; K135-E139 WeakPolarHBondContact CA-OE2 3.12Å; K135-E139 HydrophobicContact CB-CB 4.07Å; K135-E139 WeakPolarHBondContact CG-OE1 3.2Å; K135-R140 HydrophobicContact CB-CG 4.49Å; K135-R140 VanDerWaalsContact O-CZ 3.3Å; K135-R140 PolarHBondContact O-NE 3.35Å; K135-R140 PolarHBondContact O-NH2 2.84Å; K135-E143 IonicContact NZ-OE2 2.66Å; K135-E143 PolarHBondContact NZ-OE2 3.09Å
136	S	42	Very low	44.7	Very low	44 Å²	44	128.6 Å²	128.6	31%	0.308	62%	0.624	S	S	.	*			trans	-59.9	170.8	178.4	60.9	0	0	0	0	113.1	L134 S138 E139 R140	L134-S136 PolarHBondContact O-N 2.76Å; S136-S138 PolarHBondContact OG-OG 2.74Å; S136-S138 VanDerWaalsContact OG-OG 3.13Å; S136-E139 WeakPolarHBondContact CB-OE2 3.37Å; S136-E139 PolarHBondContact N-OE2 2.88Å; S136-E139 VanDerWaalsContact OG-CB 3.29Å; S136-E139 WeakPolarHBondContact OG-CB 3.44Å; S136-E139 WeakPolarHBondContact OG-CG 3.35Å; S136-E139 PolarHBondContact OG-N 3.46Å; S136-E139 VanDerWaalsContact OG-N 3.14Å; S136-E139 PolarHBondContact OG-OE2 2.95Å; S136-R140 WeakPolarHBondContact O-CB 3.25Å; S136-R140 PolarHBondContact O-N 3.05Å; S136-R140 PolarHBondContact O-NE 2.99Å
137	F	40.6	Very low	46.4	Very low	144 Å²	144	128.9 Å²	128.9	63%	0.632	61%	0.612	S	S	*	*	H	α-helix	trans	-68.7	-39.3	175.6	-176.6	-102.4	0	0	0	111.8	R140 R141	F137-R140 PolarHBondContact O-N 3.34Å; F137-R141 WeakPolarHBondContact O-CB 3.33Å; F137-R141 PolarHBondContact O-N 2.78Å
138	S	45.6	Very low	47.5	Very low	80 Å²	80	130.4 Å²	130.4	56%	0.559	61%	0.613	S	S	*	*	H	α-helix	trans	-62.6	-45.1	174.5	49.9	0	0	0	0	111.5	S136 R141 Q142	S136-S138 PolarHBondContact OG-OG 2.74Å; S136-S138 VanDerWaalsContact OG-OG 3.13Å; S138-R141 PolarHBondContact O-N 3.09Å; S138-Q142 PolarHBondContact O-N 3.46Å
139	E	62.9	Low	48.6	Very low	82 Å²	82	132.1 Å²	132.1	38%	0.383	61%	0.609	S	S	.	*	H	α-helix	trans	-60.2	-45	171.8	-79.3	174.5	93.3	0	0	112.4	K135 S136 R141 Q142 E143	K135-E139 WeakPolarHBondContact CA-OE2 3.12Å; K135-E139 HydrophobicContact CB-CB 4.07Å; K135-E139 WeakPolarHBondContact CG-OE1 3.2Å; S136-E139 WeakPolarHBondContact CB-OE2 3.37Å; S136-E139 PolarHBondContact N-OE2 2.88Å; S136-E139 VanDerWaalsContact OG-CB 3.29Å; S136-E139 WeakPolarHBondContact OG-CB 3.44Å; S136-E139 WeakPolarHBondContact OG-CG 3.35Å; S136-E139 PolarHBondContact OG-N 3.46Å; S136-E139 VanDerWaalsContact OG-N 3.14Å; S136-E139 PolarHBondContact OG-OE2 2.95Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.72Å; E139-Q142 CarbonylContact O-C 3.54Å; E139-Q142 PolarHBondContact O-N 3.46Å; E139-E143 WeakPolarHBondContact O-CB 3.39Å; E139-E143 PolarHBondContact O-N 3.19Å
140	R	58.7	Low	49.7	Very low	139 Å²	139	125.1 Å²	125.1	53%	0.525	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-33.2	177	-82.3	177.1	-84.5	172.1	-8.3	112.2	K135 S136 F137 R144	K135-R140 HydrophobicContact CB-CG 4.49Å; K135-R140 VanDerWaalsContact O-CZ 3.3Å; K135-R140 PolarHBondContact O-NE 3.35Å; K135-R140 PolarHBondContact O-NH2 2.84Å; S136-R140 WeakPolarHBondContact O-CB 3.25Å; S136-R140 PolarHBondContact O-N 3.05Å; S136-R140 PolarHBondContact O-NE 2.99Å; F137-R140 PolarHBondContact O-N 3.34Å; R140-R144 WeakPolarHBondContact O-CG 3.35Å; R140-R144 PolarHBondContact O-N 3.32Å
141	R	52.3	Low	50.8	Low	148 Å²	148	128 Å²	128	56%	0.558	60%	0.596	S	S	*	*	H	α-helix	trans	-73.6	-40.5	174.3	-158.5	170.6	-173.1	136.6	-3.7	111.7	F137 S138 E139 R145	F137-R141 WeakPolarHBondContact O-CB 3.33Å; F137-R141 PolarHBondContact O-N 2.78Å; S138-R141 PolarHBondContact O-N 3.09Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.72Å; R141-R145 PolarHBondContact O-N 3.09Å
142	Q	66.8	Low	51.5	Low	110 Å²	110	129.4 Å²	129.4	51%	0.514	59%	0.594	S	S	.	*	H	α-helix	trans	-61.1	-42.6	169.1	-86	-153.7	16.9	0	0	111.8	S138 E139 R145 K146	S138-Q142 PolarHBondContact O-N 3.46Å; E139-Q142 CarbonylContact O-C 3.54Å; E139-Q142 PolarHBondContact O-N 3.46Å; Q142-R145 CarbonylContact O-C 3.51Å; Q142-R145 PolarHBondContact O-N 2.79Å; Q142-K146 WeakPolarHBondContact O-CB 3.46Å; Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 2.99Å
143	E	71.4	Confident	52.4	Low	56 Å²	56	125.6 Å²	125.6	26%	0.262	58%	0.579	S	S	.	*	H	α-helix	trans	-70.7	-36.2	-176.7	-156.9	-174	114.4	0	0	111	K135 E139 K146 R147	K135-E143 IonicContact NZ-OE2 2.66Å; K135-E143 PolarHBondContact NZ-OE2 3.09Å; E139-E143 WeakPolarHBondContact O-CB 3.39Å; E139-E143 PolarHBondContact O-N 3.19Å; E143-K146 PolarHBondContact O-N 3.33Å; E143-R147 WeakPolarHBondContact O-CB 3.49Å; E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.29Å; E143-R147 IonicContact OE1-CZ 2.71Å; E143-R147 VanDerWaalsContact OE1-CZ 3.29Å; E143-R147 IonicContact OE1-NE 3.66Å; E143-R147 PolarHBondContact OE1-NE 2.87Å; E143-R147 VanDerWaalsContact OE1-NE 3.08Å; E143-R147 IonicContact OE1-NH2 3.74Å; E143-R147 PolarHBondContact OE1-NH2 3.36Å
144	R	62	Low	52.5	Low	187 Å²	187	129 Å²	129	71%	0.706	59%	0.585	S	S	*	*	H	α-helix	trans	-58.7	-48.4	166.4	-72.5	177.8	-168.6	-177	4.4	111.5	R140 K146 R147 Y148	R140-R144 WeakPolarHBondContact O-CG 3.35Å; R140-R144 PolarHBondContact O-N 3.32Å; R144-K146 PolarHBondContact O-N 3.16Å; R144-R147 PolarHBondContact O-N 3.2Å; R144-Y148 PolarHBondContact O-N 3.24Å
145	R	61.4	Low	52.1	Low	180 Å²	180	127.6 Å²	127.6	68%	0.679	58%	0.578	S	S	*	*	H	α-helix	trans	-62	-40	176.7	-77.4	-179.7	167.4	-178.8	-4.4	112.6	R141 Q142 Y148 K149	R141-R145 PolarHBondContact O-N 3.09Å; Q142-R145 CarbonylContact O-C 3.51Å; Q142-R145 PolarHBondContact O-N 2.79Å; R145-Y148 PolarHBondContact O-N 3.17Å; R145-K149 PolarHBondContact O-N 2.81Å
146	K	68.7	Low	51.6	Low	132 Å²	132	128.2 Å²	128.2	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-68.7	-41.6	176.4	-77.9	171.6	171.2	163.4	0	111.6	Q142 E143 R144 Y148 K149 A150	Q142-K146 WeakPolarHBondContact O-CB 3.46Å; Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 2.99Å; E143-K146 PolarHBondContact O-N 3.33Å; R144-K146 PolarHBondContact O-N 3.16Å; K146-Y148 VanDerWaalsContact C-N 3.33Å; K146-Y148 PolarHBondContact O-N 3.37Å; K146-K149 PolarHBondContact O-N 2.88Å; K146-A150 VanDerWaalsContact O-CB 3.23Å; K146-A150 WeakPolarHBondContact O-CB 3.44Å; K146-A150 PolarHBondContact O-N 3.09Å
147	R	63.6	Low	51	Low	167 Å²	167	131.8 Å²	131.8	63%	0.63	62%	0.618	S	S	*	*	H	α-helix	trans	-61.4	-39.1	171.4	-72.2	170.8	-173.5	-138.1	5.9	111.8	E143 R144 K151	E143-R147 WeakPolarHBondContact O-CB 3.49Å; E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.29Å; E143-R147 IonicContact OE1-CZ 2.71Å; E143-R147 VanDerWaalsContact OE1-CZ 3.29Å; E143-R147 IonicContact OE1-NE 3.66Å; E143-R147 PolarHBondContact OE1-NE 2.87Å; E143-R147 VanDerWaalsContact OE1-NE 3.08Å; E143-R147 IonicContact OE1-NH2 3.74Å; E143-R147 PolarHBondContact OE1-NH2 3.36Å; R144-R147 PolarHBondContact O-N 3.2Å; R147-K151 PolarHBondContact O-N 3.47Å
148	Y	47.9	Very low	50.3	Low	196 Å²	196	134.5 Å²	134.5	77%	0.769	63%	0.63	S	S	*	*	H	α-helix	trans	-67.6	-46.9	174.6	-119.9	-89.3	0	0	0	112.4	R144 R145 K146 A150 K151 K152	R144-Y148 PolarHBondContact O-N 3.24Å; R145-Y148 PolarHBondContact O-N 3.17Å; K146-Y148 VanDerWaalsContact C-N 3.33Å; K146-Y148 PolarHBondContact O-N 3.37Å; Y148-A150 PolarHBondContact O-N 2.83Å; Y148-K151 PolarHBondContact O-N 2.96Å; Y148-K152 PolarHBondContact O-N 3.12Å
149	K	51.9	Low	49.5	Very low	173 Å²	173	134.4 Å²	134.4	75%	0.752	64%	0.641	S	S	*	*	H	α-helix	trans	-62.9	-39.2	174.9	-78.8	-164.2	172.2	-168	0	112.2	R145 K146 K152 G153	R145-K149 PolarHBondContact O-N 2.81Å; K146-K149 PolarHBondContact O-N 2.88Å; K149-K152 CarbonylContact O-C 3.57Å; K149-K152 PolarHBondContact O-N 2.79Å; K149-G153 PolarHBondContact O-N 3.3Å
150	A	53.1	Low	47.5	Very low	49 Å²	49	135 Å²	135	41%	0.405	65%	0.653	S	S	.	*	H	α-helix	trans	-63.6	-46.3	174.9	0	0	0	0	0	111.8	K146 Y148 K152 G153 Q154	K146-A150 VanDerWaalsContact O-CB 3.23Å; K146-A150 WeakPolarHBondContact O-CB 3.44Å; K146-A150 PolarHBondContact O-N 3.09Å; Y148-A150 PolarHBondContact O-N 2.83Å; A150-K152 VanDerWaalsContact C-N 3.27Å; A150-K152 PolarHBondContact O-N 3.16Å; A150-G153 PolarHBondContact O-N 3.16Å; A150-G153 VanDerWaalsContact O-N 3.14Å; A150-Q154 WeakPolarHBondContact O-CG 3.31Å; A150-Q154 PolarHBondContact O-N 3.45Å
151	K	47.3	Very low	45.8	Very low	171 Å²	171	139.1 Å²	139.1	74%	0.743	67%	0.67	S	S	*	*	H	α-helix	trans	-59.8	-33.8	172.1	-94.3	-160.1	168.5	-162.4	0	113.4	R147 Y148	R147-K151 PolarHBondContact O-N 3.47Å; Y148-K151 PolarHBondContact O-N 2.96Å
152	K	44.5	Very low	44.5	Very low	186 Å²	186	137.5 Å²	137.5	81%	0.809	68%	0.682	S	S	*	*	H	α-helix	trans	-78.3	-24.5	176.4	-154.7	174.7	-175.5	-176.9	0	113	Y148 K149 A150	Y148-K152 PolarHBondContact O-N 3.12Å; K149-K152 CarbonylContact O-C 3.57Å; K149-K152 PolarHBondContact O-N 2.79Å; A150-K152 VanDerWaalsContact C-N 3.27Å; A150-K152 PolarHBondContact O-N 3.16Å
153	G	48.8	Very low	42.3	Very low	40 Å²	40	140.3 Å²	140.3	41%	0.412	70%	0.697	S	S	.	*	H	α-helix	trans	-91.9	-22.7	179.1	0	0	0	0	0	115.5	K149 A150 N155 S156	K149-G153 PolarHBondContact O-N 3.3Å; A150-G153 PolarHBondContact O-N 3.16Å; A150-G153 VanDerWaalsContact O-N 3.14Å; G153-N155 PolarHBondContact O-N 3.41Å; G153-S156 PolarHBondContact O-N 3.37Å; G153-S156 PolarHBondContact O-OG 2.73Å; G153-S156 VanDerWaalsContact O-OG 3.06Å
154	Q	36.2	Very low	40.2	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.762	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	3	179.3	-76	-169.1	-59.2	0	0	114.8	A150	A150-Q154 WeakPolarHBondContact O-CG 3.31Å; A150-Q154 PolarHBondContact O-N 3.45Å
155	N	29.7	Very low	38.3	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	8.1	174.8	-75.6	34.8	0	0	0	113.5	G153	G153-N155 PolarHBondContact O-N 3.41Å
156	S	29.3	Very low	36.6	Very low	94 Å²	94	139 Å²	139	66%	0.657	74%	0.737	S	S	*	*	S	Bend	trans	-94.9	135.4	167.4	56.8	0	0	0	0	111.1	G153	G153-S156 PolarHBondContact O-N 3.37Å; G153-S156 PolarHBondContact O-OG 2.73Å; G153-S156 VanDerWaalsContact O-OG 3.06Å
157	S	29	Very low	34.5	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61.6	168.5	-162.2	-160.7	0	0	0	0	117.3
158	F	24.8	Very low	32.8	Very low	201 Å²	201	137.4 Å²	137.4	88%	0.882	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-50.5	133.8	172	-92.6	-120.8	0	0	0	112.9
159	G	28.9	Very low	31.7	Very low	77 Å²	77	133.9 Å²	133.9	79%	0.794	74%	0.736	S	S	*	*			trans	-155.2	119.5	169	0	0	0	0	0	110.8
160	C	22.3	Very low	30.5	Very low	94 Å²	94	134.2 Å²	134.2	64%	0.635	73%	0.734	S	S	*	*			trans	-88.8	153.3	-162.9	-55.6	0	0	0	0	115.2
161	Y	23.1	Very low	29.3	Very low	226 Å²	226	138.3 Å²	138.3	89%	0.886	75%	0.749	S	S	*	*			trans	60.3	123.2	162.3	-46.3	-64	0	0	0	116.6
162	S	25	Very low	28.1	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	75%	0.754	S	S	*	*				-167.3	161.7	52.1	-176.2	0	0	0	0	111.7
163	M	19.8	Very low	27.5	Very low	170 Å²	170	132.6 Å²	132.6	84%	0.837	75%	0.754	S	S	*	*			trans	-70	145	160.1	-73.7	-87	-170	0	0	110.8
164	N	27.3	Very low	26.3	Very low	168 Å²	168	138.6 Å²	138.6	90%	0.898	78%	0.777	S	S	*	*				-169.7	153	129.7	-97.2	-16.5	0	0	0	110.7
165	S	21.5	Very low	25.9	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	78%	0.78	S	S	*	*			trans	-132.3	129.4	-170.3	55	0	0	0	0	112.1
166	S	26.6	Very low	25.7	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	78%	0.781	S	S	*	*			trans	-163.6	143.9	155.1	-139.3	0	0	0	0	108.1
167	I	24	Very low	25.5	Very low	140 Å²	140	142.3 Å²	142.3	72%	0.718	78%	0.784	S	S	*	*			cis	65.2	119.1	32.6	-83.1	174.1	0	0	0	109.2
168	D	27.3	Very low	25.3	Very low	126 Å²	126	144.2 Å²	144.2	67%	0.674	78%	0.779	S	S	*	*			cis	-155.6	-178.9	20.6	-91.5	-18.6	0	0	0	107.6
169	E	25	Very low	25.3	Very low	123 Å²	123	142 Å²	142	58%	0.575	78%	0.776	S	S	*	*			cis	153.4	166.6	-7.5	-168.1	170.6	-134.6	0	0	104.5
170	Y	26.1	Very low	25.3	Very low	179 Å²	179	144.3 Å²	144.3	70%	0.702	78%	0.78	S	S	*	*			trans	71.3	151.6	172.2	-53.4	-72.2	0	0	0	119.1
171	D	28.4	Very low	25.3	Very low	136 Å²	136	147.4 Å²	147.4	73%	0.727	79%	0.791	S	S	*	*			cis	-149.8	171.6	-6.8	-136	-31.8	0	0	0	114.3
172	N	23.6	Very low	25.6	Very low	158 Å²	158	146 Å²	146	85%	0.845	79%	0.792	S	S	*	*			trans	-87.1	166.5	178.4	-68.6	-64.2	0	0	0	114.7
173	G	30.4	Very low	25.5	Very low	78 Å²	78	146.9 Å²	146.9	80%	0.804	79%	0.793	S	S	*	*			trans	-160.9	101	170.9	0	0	0	0	0	115.4
174	N	24.2	Very low	25.8	Very low	166 Å²	166	145.6 Å²	145.6	89%	0.888	80%	0.795	S	S	*	*			trans	-94.4	133.8	-180	-90.1	-17.8	0	0	0	113.8
175	I	28.6	Very low	25.6	Very low	163 Å²	163	144.6 Å²	144.6	84%	0.836	79%	0.789	S	S	*	*			trans	-147.3	100.1	160.7	-53	-177.5	0	0	0	113.2
176	F	23.6	Very low	25.6	Very low	187 Å²	187	144.8 Å²	144.8	82%	0.82	79%	0.785	S	S	*	*				19.9	125.1	128.6	-95.2	-87.1	0	0	0	122.4
177	L	25.7	Very low	25.5	Very low	137 Å²	137	146.3 Å²	146.3	72%	0.717	79%	0.785	S	S	*	*				167.5	139.7	103.3	-98.6	165.4	0	0	0	117.3
178	E	25.4	Very low	25.5	Very low	160 Å²	160	147 Å²	147	75%	0.748	79%	0.79	S	S	*	*			trans	50.9	100.9	146.2	-80.7	165.8	-174.7	0	0	123.9
179	D	24.9	Very low	25.3	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	80%	0.798	S	S	*	*				40.2	129.1	117.5	-54.1	-2.4	0	0	0	123.1
180	S	27.9	Very low	25.1	Very low	126 Å²	126	151 Å²	151	88%	0.881	81%	0.81	S	S	*	*			trans	-163.1	131.3	147.2	-72.2	0	0	0	0	110.8
181	D	23.9	Very low	25.1	Very low	160 Å²	160	148.6 Å²	148.6	86%	0.856	81%	0.814	S	S	*	*			trans	-79.6	147.3	176.5	-54.3	-84.3	0	0	0	113.1
182	E	28	Very low	24.9	Very low	197 Å²	197	150.2 Å²	150.2	92%	0.921	82%	0.822	S	S	*	*				-166.3	156	125.6	-113.1	173.7	-167.2	0	0	112.2
183	T	23.4	Very low	25	Very low	131 Å²	131	148.1 Å²	148.1	80%	0.804	82%	0.819	S	S	*	*			trans	-126.1	123.4	-168.8	55.4	0	0	0	0	113
184	T	25.7	Very low	24.8	Very low	143 Å²	143	152.6 Å²	152.6	88%	0.877	83%	0.825	S	S	*	*			trans	-151.3	101.3	158.8	0.7	0	0	0	0	114.4
185	N	23.9	Very low	25	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	82%	0.819	S	S	*	*			trans	43	94.1	136.1	-152.7	21.3	0	0	0	119.4
186	V	21.9	Very low	24.9	Very low	120 Å²	120	149.5 Å²	149.5	73%	0.727	82%	0.818	S	S	*	*			trans	-79.5	126.1	161.7	174.9	0	0	0	0	109.8
187	N	24.4	Very low	25.2	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	82%	0.821	S	S	*	*			trans	-172.5	86.5	151.7	-98.4	-34.8	0	0	0	111.1
188	N	22.6	Very low	25.3	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	83%	0.826	S	S	*	*			trans	-145.2	87.4	166.1	-100.6	-16.3	0	0	0	108.6
189	Y	22.8	Very low	25.7	Very low	213 Å²	213	145.6 Å²	145.6	84%	0.835	82%	0.818	S	S	*	*			trans	-127.2	95	170.8	-95.8	-74.6	0	0	0	109.7
190	S	22.5	Very low	25.9	Very low	119 Å²	119	142.9 Å²	142.9	83%	0.832	81%	0.808	S	S	*	*			trans	-73.4	123	171	-52.8	0	0	0	0	109.6
191	V	24.7	Very low	25.9	Very low	129 Å²	129	143.2 Å²	143.2	78%	0.782	80%	0.8	S	S	*	*			trans	-127.5	123.3	167.3	-179.9	0	0	0	0	107.4
192	L	24.5	Very low	26.4	Very low	170 Å²	170	142.6 Å²	142.6	89%	0.89	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.8	161.6	-177.5	-77.2	161.3	0	0	0	111.6
193	S	26.2	Very low	26.5	Very low	113 Å²	113	139 Å²	139	79%	0.79	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-100.4	128	-167.6	-54.1	0	0	0	0	113
194	D	26.9	Very low	26.9	Very low	172 Å²	172	137.6 Å²	137.6	92%	0.92	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-94.8	120.9	165.2	-81.3	-46.8	0	0	0	110.5
195	S	28	Very low	27.1	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	74%	0.743	S	S	*	*			trans	-164	90.7	162.2	62.1	0	0	0	0	112.2
196	N	26.2	Very low	27.5	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	72%	0.72	S	S	*	*			trans	-135.6	83	176.9	-93.1	-30.7	0	0	0	111
197	D	29	Very low	28	Very low	164 Å²	164	131 Å²	131	88%	0.877	71%	0.711	S	S	*	*			trans	-151.1	63.8	179.4	-113	-34.6	0	0	0	112
198	S	27.8	Very low	28.3	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	70%	0.7	S	S	*	*			trans	-156.3	8.9	177.9	-61.7	0	0	0	0	115.6	P200	S198-P200 VanDerWaalsContact C-CD 3.46Å
199	Q	34.3	Very low	28.7	Very low	121 Å²	121	126.2 Å²	126.2	57%	0.565	68%	0.681	S	S	*	*			trans	-85.8	-17.4	-156.2	-139.3	175.6	-4.9	0	0	120	F203	Q199-F203 HydrophobicContact CG-CD2 4.32Å; Q199-F203 HydrophobicContact CG-CE2 3.81Å; Q199-F203 WeakPolarHBondContact O-CD2 3.05Å
200	P	28.8	Very low	29	Very low	95 Å²	95	119.3 Å²	119.3	62%	0.617	66%	0.658	S	S	*	*	H	α-helix	trans	-72.2	-39.7	-165.5	27.2	-34.1	0	0	0	114.9	S198 Y202 F203	S198-P200 VanDerWaalsContact C-CD 3.46Å; P200-Y202 VanDerWaalsContact C-N 3.25Å; P200-Y202 PolarHBondContact O-N 3Å; P200-F203 PolarHBondContact O-N 3.36Å
201	D	28.4	Very low	29.3	Very low	134 Å²	134	118.9 Å²	118.9	72%	0.717	65%	0.653	S	S	*	*	H	α-helix	trans	-69.1	-25	-176.4	-70.7	-21.8	0	0	0	112.6
202	Y	34.4	Very low	29.6	Very low	147 Å²	147	119.7 Å²	119.7	58%	0.576	65%	0.648	S	S	*	*	H	α-helix	trans	-67	-42.9	179.6	-167.3	-85.8	0	0	0	111.9	P200 I204 L205 E206	P200-Y202 VanDerWaalsContact C-N 3.25Å; P200-Y202 PolarHBondContact O-N 3Å; Y202-I204 VanDerWaalsContact C-N 3.35Å; Y202-I204 PolarHBondContact O-N 2.82Å; Y202-L205 PolarHBondContact O-N 2.69Å; Y202-E206 HydrophobicContact CE1-CB 4.19Å; Y202-E206 HydrophobicContact CE1-CG 4.41Å; Y202-E206 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E206 VanDerWaalsContact CZ-OE2 3.24Å; Y202-E206 PolarHBondContact O-N 3.2Å; Y202-E206 VanDerWaalsContact O-N 3.07Å; Y202-E206 PolarHBondContact OH-OE2 3.46Å
203	F	30.7	Very low	29.8	Very low	120 Å²	120	115.9 Å²	115.9	53%	0.526	63%	0.628	S	S	.	*	H	α-helix	trans	-64.6	-34.5	-178	-82.1	-72.6	0	0	0	113.6	Q199 P200 T207	Q199-F203 HydrophobicContact CG-CD2 4.32Å; Q199-F203 HydrophobicContact CG-CE2 3.81Å; Q199-F203 WeakPolarHBondContact O-CD2 3.05Å; P200-F203 PolarHBondContact O-N 3.36Å; F203-T207 WeakPolarHBondContact O-CB 3.23Å; F203-T207 VanDerWaalsContact O-CG2 3.31Å; F203-T207 WeakPolarHBondContact O-CG2 3.48Å; F203-T207 PolarHBondContact O-N 2.79Å; F203-T207 PolarHBondContact O-OG1 2.62Å
204	I	32.3	Very low	29.9	Very low	103 Å²	103	114.4 Å²	114.4	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-68.4	-37.6	-179.8	-58.5	177	0	0	0	110.8	Y202 T207 H208	Y202-I204 VanDerWaalsContact C-N 3.35Å; Y202-I204 PolarHBondContact O-N 2.82Å; I204-T207 PolarHBondContact O-OG1 3.39Å; I204-T207 VanDerWaalsContact O-OG1 3.1Å; I204-H208 PolarHBondContact O-N 3.05Å
205	L	29.9	Very low	30.1	Very low	121 Å²	121	111 Å²	111	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-81	-35	-179.2	-142.2	75.6	0	0	0	113	Y202 N209	Y202-L205 PolarHBondContact O-N 2.69Å; L205-N209 PolarHBondContact O-N 2.87Å; L205-N209 VanDerWaalsContact O-N 3.16Å; L205-N209 PolarHBondContact O-ND2 3.05Å
206	E	30.8	Very low	30.2	Very low	61 Å²	61	107 Å²	107	29%	0.285	56%	0.56	S	S	.	*	H	α-helix	trans	-68.4	-42.1	174.4	-162.6	85.5	-109.6	0	0	110.8	Y202 H208 N209 M210 K1409	Y202-E206 HydrophobicContact CE1-CB 4.19Å; Y202-E206 HydrophobicContact CE1-CG 4.41Å; Y202-E206 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E206 VanDerWaalsContact CZ-OE2 3.24Å; Y202-E206 PolarHBondContact O-N 3.2Å; Y202-E206 VanDerWaalsContact O-N 3.07Å; Y202-E206 PolarHBondContact OH-OE2 3.46Å; E206-H208 PolarHBondContact O-N 3.35Å; E206-N209 PolarHBondContact O-N 3.06Å; E206-M210 WeakPolarHBondContact O-CB 3.36Å; E206-M210 WeakPolarHBondContact O-CG 3.33Å; E206-M210 PolarHBondContact O-N 3.25Å; E206-K1409 IonicContact OE1-NZ 2.76Å
207	T	33.5	Very low	30.5	Very low	88 Å²	88	102.9 Å²	102.9	54%	0.54	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-39.9	176.4	47.6	0	0	0	0	112.8	F203 I204 M210 C211	F203-T207 WeakPolarHBondContact O-CB 3.23Å; F203-T207 VanDerWaalsContact O-CG2 3.31Å; F203-T207 WeakPolarHBondContact O-CG2 3.48Å; F203-T207 PolarHBondContact O-N 2.79Å; F203-T207 PolarHBondContact O-OG1 2.62Å; I204-T207 PolarHBondContact O-OG1 3.39Å; I204-T207 VanDerWaalsContact O-OG1 3.1Å; T207-M210 PolarHBondContact O-N 2.94Å; T207-C211 PolarHBondContact O-N 3.4Å; T207-C211 PolarHBondContact O-SG 2.8Å
208	H	30.3	Very low	30.6	Very low	117 Å²	117	99 Å²	99	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-40.6	176.6	-158.1	68.9	0	0	0	112.6	I204 E206 M210 C211	I204-H208 PolarHBondContact O-N 3.05Å; E206-H208 PolarHBondContact O-N 3.35Å; H208-M210 PolarHBondContact O-N 3.42Å; H208-C211 WeakPolarHBondContact O-CB 3.35Å; H208-C211 PolarHBondContact O-N 3.5Å
209	N	30.3	Very low	30.9	Very low	81 Å²	81	95.8 Å²	95.8	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-67.7	-33.2	176.2	-81.4	-83.6	0	0	0	112.8	L205 E206 C211 E212	L205-N209 PolarHBondContact O-N 2.87Å; L205-N209 VanDerWaalsContact O-N 3.16Å; L205-N209 PolarHBondContact O-ND2 3.05Å; E206-N209 PolarHBondContact O-N 3.06Å; N209-C211 PolarHBondContact O-N 2.86Å; N209-E212 PolarHBondContact O-N 3.22Å
210	M	29.6	Very low	30.8	Very low	69 Å²	69	92.7 Å²	92.7	34%	0.34	48%	0.475	S	S	.	.	H	α-helix	trans	-63	-28.3	175.8	-76	-76.2	-91.1	0	0	112.7	E206 T207 H208 I217	E206-M210 WeakPolarHBondContact O-CB 3.36Å; E206-M210 WeakPolarHBondContact O-CG 3.33Å; E206-M210 PolarHBondContact O-N 3.25Å; T207-M210 PolarHBondContact O-N 2.94Å; H208-M210 PolarHBondContact O-N 3.42Å; M210-I217 HydrophobicContact CB-CD1 4.3Å; M210-I217 HydrophobicContact CE-CD1 4.07Å
211	C	28.5	Very low	31	Very low	109 Å²	109	92 Å²	92	74%	0.736	47%	0.467	S	S	*	.	H	α-helix	trans	-71.5	-25.5	175.7	-68.8	0	0	0	0	114.5	T207 H208 N209	T207-C211 PolarHBondContact O-N 3.4Å; T207-C211 PolarHBondContact O-SG 2.8Å; H208-C211 WeakPolarHBondContact O-CB 3.35Å; H208-C211 PolarHBondContact O-N 3.5Å; N209-C211 PolarHBondContact O-N 2.86Å
212	E	30.8	Very low	31	Very low	147 Å²	147	92.9 Å²	92.9	69%	0.687	47%	0.471	S	S	*	.	H	α-helix	trans	-84.1	-27.6	178.2	-71.6	-154	147.5	0	0	113.7	N209	N209-E212 PolarHBondContact O-N 3.22Å
213	L	29.4	Very low	30.8	Very low	89 Å²	89	93 Å²	93	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-113.1	-3.4	-163.7	-94.3	164.2	0	0	0	116.4	V1406	L213-V1406 HydrophobicContact CD1-CG2 4.44Å; L213-V1406 HydrophobicContact CD2-CG2 4.05Å
214	R	27.2	Very low	30.7	Very low	83 Å²	83	92.2 Å²	92.2	31%	0.313	48%	0.483	S	S	.	.			trans	-130.8	104.3	178.9	-78.5	-168.4	160.1	-168.6	-4	114.9	S216 I217 E1413	R214-S216 PolarHBondContact O-N 3.27Å; R214-S216 VanDerWaalsContact O-N 3.12Å; R214-I217 HydrophobicContact CB-CD1 4.01Å; R214-I217 HydrophobicContact CB-CG1 4.24Å; R214-E1413 VanDerWaalsContact CZ-CD 3.4Å; R214-E1413 IonicContact CZ-OE1 2.93Å; R214-E1413 IonicContact CZ-OE2 2.62Å; R214-E1413 IonicContact NE-OE2 3.6Å; R214-E1413 IonicContact NH1-OE1 3.94Å; R214-E1413 PolarHBondContact NH1-OE1 2.8Å; R214-E1413 IonicContact NH1-OE2 3.82Å; R214-E1413 IonicContact NH2-OE1 3.79Å; R214-E1413 PolarHBondContact NH2-OE1 2.95Å; R214-E1413 IonicContact NH2-OE2 3.85Å; R214-E1413 PolarHBondContact NH2-OE2 3.44Å
215	N	31.7	Very low	30.6	Very low	101 Å²	101	95.5 Å²	95.5	54%	0.54	50%	0.501	S	S	.	.	S	Bend	trans	-59.6	113.9	160.7	-68.4	-14.3	0	0	0	109.5
216	S	30.7	Very low	30.6	Very low	24 Å²	24	98.6 Å²	98.6	17%	0.168	51%	0.512	C	S	.	.			trans	77.7	101.8	-176.5	72.9	0	0	0	0	117.6	R214 T756 S850	R214-S216 PolarHBondContact O-N 3.27Å; R214-S216 VanDerWaalsContact O-N 3.12Å; S216-T756 VanDerWaalsContact CA-CG2 3.47Å; S216-S850 VanDerWaalsContact CB-OG 3.3Å; S216-S850 WeakPolarHBondContact CB-OG 3.33Å; S216-S850 PolarHBondContact OG-OG 3.16Å
217	I	31.1	Very low	30.6	Very low	69 Å²	69	100.9 Å²	100.9	35%	0.354	53%	0.526	S	S	.	.			trans	-130.6	145.4	160.5	-69.3	176.4	0	0	0	106.6	M210 R214	M210-I217 HydrophobicContact CB-CD1 4.3Å; M210-I217 HydrophobicContact CE-CD1 4.07Å; R214-I217 HydrophobicContact CB-CD1 4.01Å; R214-I217 HydrophobicContact CB-CG1 4.24Å
218	Q	32.3	Very low	30.4	Very low	82 Å²	82	104.6 Å²	104.6	38%	0.383	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-76.4	138.7	168.9	-76.5	172.1	-80.1	0	0	110	T220 R754 A853 D857	Q218-T220 WeakPolarHBondContact CB-OG1 3.29Å; Q218-R754 VanDerWaalsContact CG-NH1 3.26Å; Q218-A853 HydrophobicContact CG-CB 3.92Å; Q218-D857 PolarHBondContact NE2-OD1 3.35Å
219	I	32.9	Very low	30.4	Very low	51 Å²	51	106.4 Å²	106.4	26%	0.262	56%	0.556	S	S	.	*			trans	-109.5	32.8	163.2	-27.7	178.9	0	0	0	110.3	R711 I752 I753 I755	I219-R711 VanDerWaalsContact CG2-NH1 3.29Å; I219-I752 HydrophobicContact CD1-CG2 4.16Å; I219-I753 CarbonylContact C-O 3.59Å; I219-I753 WeakPolarHBondContact CA-O 3.49Å; I219-I753 WeakPolarHBondContact CB-O 3.37Å; I219-I753 PolarHBondContact N-O 2.8Å; I219-I753 VanDerWaalsContact N-O 3.07Å; I219-I755 HydrophobicContact CD1-CG2 4.07Å
220	T	33.9	Very low	30.1	Very low	55 Å²	55	110 Å²	110	34%	0.337	57%	0.574	S	S	.	*	S	Bend	trans	-59.4	155.2	157.6	47.5	0	0	0	0	109.4	Q218 L222 D857	Q218-T220 WeakPolarHBondContact CB-OG1 3.29Å; T220-L222 PolarHBondContact O-N 3.27Å; T220-D857 WeakPolarHBondContact CG2-OD1 3.14Å
221	N	32.9	Very low	30	Very low	81 Å²	81	113.7 Å²	113.7	43%	0.433	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-64.6	132.3	173.8	-34.9	-61.1	0	0	0	107.6	I704	N221-I704 HydrophobicContact CB-CD1 4.1Å; N221-I704 HydrophobicContact CB-CG1 4.28Å
222	L	27.7	Very low	29.9	Very low	153 Å²	153	116.8 Å²	116.8	80%	0.801	60%	0.599	S	S	*	*	S	Bend	trans	-67.6	160.5	169.6	-78.1	164.1	0	0	0	110.1	T220	T220-L222 PolarHBondContact O-N 3.27Å
223	D	29.4	Very low	29.6	Very low	150 Å²	150	117.1 Å²	117.1	80%	0.802	61%	0.605	S	S	*	*			trans	71.7	65.7	165.5	-48	-27.6	0	0	0	117.4
224	D	30.6	Very low	29.5	Very low	103 Å²	103	120.4 Å²	120.4	55%	0.551	62%	0.623	S	S	*	*			trans	-142.1	21.6	167.1	-132.9	-16	0	0	0	113.8	E226 I227	D224-E226 VanDerWaalsContact C-N 3.28Å; D224-E226 PolarHBondContact O-N 3.13Å; D224-E226 VanDerWaalsContact O-N 3.12Å; D224-I227 WeakPolarHBondContact OD1-CD1 3.49Å
225	N	28.8	Very low	29.4	Very low	172 Å²	172	125.2 Å²	125.2	92%	0.92	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	22.1	-168	-109	-5.9	0	0	0	115.7
226	E	29.8	Very low	29.2	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	9.4	-180	-71.1	-157	131.5	0	0	115	D224	D224-E226 VanDerWaalsContact C-N 3.28Å; D224-E226 PolarHBondContact O-N 3.13Å; D224-E226 VanDerWaalsContact O-N 3.12Å
227	I	30.3	Very low	29	Very low	110 Å²	110	133 Å²	133	56%	0.564	70%	0.696	S	S	*	*			trans	-84.5	-23.7	-175.5	-65.7	-178.2	0	0	0	114.2	D224 N229	D224-I227 WeakPolarHBondContact OD1-CD1 3.49Å; I227-N229 PolarHBondContact O-N 3.43Å; I227-N229 VanDerWaalsContact O-N 3.09Å
228	D	31.1	Very low	28.6	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-3.9	-171.8	-84.3	-11.9	0	0	0	116
229	N	28.4	Very low	28.5	Very low	155 Å²	155	141 Å²	141	83%	0.829	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	13.7	179.6	-83.1	-52.5	0	0	0	114.9	I227	I227-N229 PolarHBondContact O-N 3.43Å; I227-N229 VanDerWaalsContact O-N 3.09Å
230	L	25.2	Very low	28.5	Very low	158 Å²	158	148.2 Å²	148.2	83%	0.827	77%	0.769	S	S	*	*	S	Bend	trans	-124.2	53	177	-78.1	172	0	0	0	113.4
231	N	26.6	Very low	28.3	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	78%	0.783	S	S	*	*			trans	-141.4	144.9	159.9	-94.5	-59	0	0	0	112.3
232	H	27.4	Very low	28.4	Very low	174 Å²	174	151.8 Å²	151.8	81%	0.806	79%	0.789	S	S	*	*	S	Bend	trans	75.8	134.9	-172	-58.5	-76.1	0	0	0	117
233	N	25.1	Very low	29.1	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	77%	0.771	S	S	*	*	S	Bend	trans	72.5	59.5	172.6	-54.5	-19.4	0	0	0	118.4
234	D	26.1	Very low	29.3	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	77%	0.765	S	S	*	*			trans	-150.3	13	138.6	-119	-12.4	0	0	0	115.1	N236	D234-N236 VanDerWaalsContact C-N 3.28Å; D234-N236 PolarHBondContact O-N 2.97Å; D234-N236 VanDerWaalsContact O-N 3.09Å
235	M	25.7	Very low	30.6	Very low	184 Å²	184	146.9 Å²	146.9	91%	0.906	77%	0.768	S	S	*	*			trans	-86.5	60.3	175.5	-74.7	-72.7	-84.9	0	0	111.7
236	N	26.7	Very low	31.9	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	74%	0.744	S	S	*	*	S	Bend	trans	-165.1	61.4	170.9	-105.2	-28.7	0	0	0	113.8	D234	D234-N236 VanDerWaalsContact C-N 3.28Å; D234-N236 PolarHBondContact O-N 2.97Å; D234-N236 VanDerWaalsContact O-N 3.09Å
237	T	26.6	Very low	32.3	Very low	137 Å²	137	138 Å²	138	84%	0.84	73%	0.726	S	S	*	*			trans	-177.9	68.1	147.1	22.2	0	0	0	0	113.1
238	M	23.8	Very low	32.7	Very low	162 Å²	162	137 Å²	137	80%	0.798	72%	0.721	S	S	*	*			trans	-129.2	52	161	-76.7	-163.6	70.4	0	0	111.6	T241	M238-T241 HydrophobicContact CE-CG2 4.35Å
239	D	30	Very low	34.3	Very low	155 Å²	155	135.6 Å²	135.6	83%	0.829	71%	0.709	S	S	*	*			trans	-68	138.4	163.5	-98.8	-39	0	0	0	110.5
240	K	32.8	Very low	35.6	Very low	204 Å²	204	133.8 Å²	133.8	89%	0.887	69%	0.694	S	S	*	*			trans	71.2	61.2	175.1	-50.7	171.9	-172.8	171.2	0	116.1
241	T	28.8	Very low	36.2	Very low	105 Å²	105	130.2 Å²	130.2	64%	0.644	68%	0.676	S	S	*	*	S	Bend	trans	-108.3	136.6	139	52	0	0	0	0	108.7	M238	M238-T241 HydrophobicContact CE-CG2 4.35Å
242	D	35.6	Very low	37.8	Very low	105 Å²	105	127.6 Å²	127.6	56%	0.561	66%	0.661	S	S	*	*			trans	-21.3	139.9	-176.1	-59.1	9.1	0	0	0	116.8	D246 K250	D242-D246 HydrophobicContact CB-CB 4.29Å; D242-K250 IonicContact OD2-NZ 2.65Å; D242-K250 PolarHBondContact OD2-NZ 3.41Å
243	S	43	Very low	39.3	Very low	59 Å²	59	124.5 Å²	124.5	41%	0.413	65%	0.647	S	S	.	*			trans	-56.2	148.5	-177.7	-173.2	0	0	0	0	111.3	D245 D246 L247	S243-D245 PolarHBondContact O-N 3.48Å; S243-D245 VanDerWaalsContact O-N 3.1Å; S243-D245 PolarHBondContact OG-N 3.14Å; S243-D245 PolarHBondContact OG-OD2 3.28Å; S243-D246 PolarHBondContact N-OD2 3.04Å; S243-D246 WeakPolarHBondContact O-CB 3.28Å; S243-D246 PolarHBondContact O-N 2.85Å; S243-L247 PolarHBondContact O-N 3.16Å; S243-L247 VanDerWaalsContact O-N 3.12Å
244	L	33.2	Very low	40.4	Very low	129 Å²	129	123.1 Å²	123.1	68%	0.675	63%	0.634	S	S	*	*	H	α-helix	trans	-55.3	-30.5	172.1	-168.9	69.5	0	0	0	111	L247 L248	L244-L247 PolarHBondContact O-N 3.43Å; L244-L248 HydrophobicContact CG-CD1 4.38Å; L244-L248 WeakPolarHBondContact O-CB 3.13Å; L244-L248 PolarHBondContact O-N 2.92Å
245	D	58.2	Low	40.9	Very low	116 Å²	116	119 Å²	119	62%	0.62	62%	0.616	S	S	*	*	H	α-helix	trans	-66.3	-42.5	173.5	-59.9	-53.1	0	0	0	113.1	S243 L247 L248 E249	S243-D245 PolarHBondContact O-N 3.48Å; S243-D245 VanDerWaalsContact O-N 3.1Å; S243-D245 PolarHBondContact OG-N 3.14Å; S243-D245 PolarHBondContact OG-OD2 3.28Å; D245-L247 PolarHBondContact O-N 3.25Å; D245-L248 CarbonylContact O-C 3.5Å; D245-L248 PolarHBondContact O-N 2.88Å; D245-E249 WeakPolarHBondContact O-CB 3.47Å; D245-E249 PolarHBondContact O-N 2.71Å
246	D	56.3	Low	42.4	Very low	77 Å²	77	116.4 Å²	116.4	41%	0.412	60%	0.602	S	S	.	*	H	α-helix	trans	-62.8	-35.7	174.7	-69.8	-59.4	0	0	0	110.9	D242 S243 K250	D242-D246 HydrophobicContact CB-CB 4.29Å; S243-D246 PolarHBondContact N-OD2 3.04Å; S243-D246 WeakPolarHBondContact O-CB 3.28Å; S243-D246 PolarHBondContact O-N 2.85Å; D246-K250 VanDerWaalsContact O-CB 3.28Å; D246-K250 WeakPolarHBondContact O-CB 3.35Å; D246-K250 WeakPolarHBondContact O-CD 3.46Å; D246-K250 WeakPolarHBondContact O-CG 3.47Å; D246-K250 PolarHBondContact O-N 2.9Å
247	L	37.1	Very low	43.6	Very low	92 Å²	92	113.9 Å²	113.9	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-77.7	-30.3	178.8	-159.4	146	0	0	0	111.5	S243 L244 D245 N251	S243-L247 PolarHBondContact O-N 3.16Å; S243-L247 VanDerWaalsContact O-N 3.12Å; L244-L247 PolarHBondContact O-N 3.43Å; D245-L247 PolarHBondContact O-N 3.25Å; L247-N251 WeakPolarHBondContact CD2-ND2 3.27Å; L247-N251 VanDerWaalsContact O-CB 3.23Å; L247-N251 WeakPolarHBondContact O-CB 3.23Å; L247-N251 PolarHBondContact O-N 2.84Å; L247-N251 PolarHBondContact O-ND2 2.88Å
248	L	40.2	Very low	44.1	Very low	89 Å²	89	109.5 Å²	109.5	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-70.4	-42.4	168.8	-109.6	146.3	0	0	0	111.8	L244 D245 N251 I252	L244-L248 HydrophobicContact CG-CD1 4.38Å; L244-L248 WeakPolarHBondContact O-CB 3.13Å; L244-L248 PolarHBondContact O-N 2.92Å; D245-L248 CarbonylContact O-C 3.5Å; D245-L248 PolarHBondContact O-N 2.88Å; L248-N251 CarbonylContact O-C 3.44Å; L248-N251 PolarHBondContact O-N 3.26Å; L248-I252 HydrophobicContact CD2-CD1 4.19Å; L248-I252 WeakPolarHBondContact O-CB 3.45Å; L248-I252 WeakPolarHBondContact O-CD1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.77Å
249	E	64.2	Low	44.7	Very low	137 Å²	137	105.2 Å²	105.2	64%	0.64	54%	0.543	S	S	*	.	H	α-helix	trans	-69.2	-41	177.9	-167.9	159.3	-143.9	0	0	110.8	D245 N251 I252 Q253	D245-E249 WeakPolarHBondContact O-CB 3.47Å; D245-E249 PolarHBondContact O-N 2.71Å; E249-N251 PolarHBondContact O-N 3.21Å; E249-I252 PolarHBondContact O-N 2.72Å; E249-Q253 WeakPolarHBondContact O-CB 3.47Å; E249-Q253 PolarHBondContact O-N 2.82Å
250	K	55.6	Low	45.6	Very low	116 Å²	116	106.3 Å²	106.3	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-60.3	-40.5	167.8	-73.9	165.5	-171.8	160.2	0	112.5	D242 D246 F254	D242-K250 IonicContact OD2-NZ 2.65Å; D242-K250 PolarHBondContact OD2-NZ 3.41Å; D246-K250 VanDerWaalsContact O-CB 3.28Å; D246-K250 WeakPolarHBondContact O-CB 3.35Å; D246-K250 WeakPolarHBondContact O-CD 3.46Å; D246-K250 WeakPolarHBondContact O-CG 3.47Å; D246-K250 PolarHBondContact O-N 2.9Å; K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 2.98Å
251	N	37.3	Very low	46.4	Very low	84 Å²	84	102.9 Å²	102.9	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-72.3	-34.9	176.7	-87.6	-29.3	0	0	0	113	L247 L248 E249 C255	L247-N251 WeakPolarHBondContact CD2-ND2 3.27Å; L247-N251 VanDerWaalsContact O-CB 3.23Å; L247-N251 WeakPolarHBondContact O-CB 3.23Å; L247-N251 PolarHBondContact O-N 2.84Å; L247-N251 PolarHBondContact O-ND2 2.88Å; L248-N251 CarbonylContact O-C 3.44Å; L248-N251 PolarHBondContact O-N 3.26Å; E249-N251 PolarHBondContact O-N 3.21Å; N251-C255 VanDerWaalsContact O-CB 3.23Å; N251-C255 WeakPolarHBondContact O-CB 3.48Å; N251-C255 PolarHBondContact O-N 2.81Å; N251-C255 PolarHBondContact O-SG 3.15Å
252	I	60.9	Low	46.5	Very low	90 Å²	90	100.5 Å²	100.5	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-65	-49.8	173.2	-73.7	162.8	0	0	0	108.6	L248 E249 F254 C255 E256	L248-I252 HydrophobicContact CD2-CD1 4.19Å; L248-I252 WeakPolarHBondContact O-CB 3.45Å; L248-I252 WeakPolarHBondContact O-CD1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.77Å; E249-I252 PolarHBondContact O-N 2.72Å; I252-F254 VanDerWaalsContact C-N 3.34Å; I252-F254 PolarHBondContact O-N 2.89Å; I252-C255 CarbonylContact O-C 3.58Å; I252-C255 WeakPolarHBondContact O-CA 3.43Å; I252-C255 WeakPolarHBondContact O-CB 3.38Å; I252-C255 PolarHBondContact O-N 2.96Å; I252-E256 WeakPolarHBondContact O-CG 3.49Å; I252-E256 PolarHBondContact O-N 2.75Å
253	Q	58.5	Low	46.4	Very low	109 Å²	109	101.9 Å²	101.9	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-37.5	178	-171.3	168	-15.2	0	0	112	E249 C255 E256 E257	E249-Q253 WeakPolarHBondContact O-CB 3.47Å; E249-Q253 PolarHBondContact O-N 2.82Å; Q253-C255 VanDerWaalsContact C-N 3.33Å; Q253-C255 PolarHBondContact O-N 2.9Å; Q253-E256 PolarHBondContact O-N 2.86Å; Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CB 3.35Å; Q253-E257 WeakPolarHBondContact O-CG 3.38Å; Q253-E257 PolarHBondContact O-N 3.46Å
254	F	46.8	Very low	45.9	Very low	125 Å²	125	107 Å²	107	55%	0.548	55%	0.552	S	S	.	*	H	α-helix	trans	-65.1	-34.8	170.8	-176.2	-100.8	0	0	0	112.4	K250 I252 T258	K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 2.98Å; I252-F254 VanDerWaalsContact C-N 3.34Å; I252-F254 PolarHBondContact O-N 2.89Å; F254-T258 HydrophobicContact CD1-CG2 4.29Å; F254-T258 HydrophobicContact CD2-CG2 4.48Å; F254-T258 HydrophobicContact CE1-CG2 3.91Å; F254-T258 HydrophobicContact CE2-CG2 4.12Å; F254-T258 HydrophobicContact CZ-CG2 3.83Å; F254-T258 VanDerWaalsContact O-CB 3.31Å; F254-T258 WeakPolarHBondContact O-CB 3.17Å; F254-T258 VanDerWaalsContact O-CG2 3.3Å; F254-T258 WeakPolarHBondContact O-CG2 3.49Å; F254-T258 PolarHBondContact O-N 3.42Å; F254-T258 PolarHBondContact O-OG1 2.87Å
255	C	37.7	Very low	45.9	Very low	70 Å²	70	108.4 Å²	108.4	47%	0.473	56%	0.561	S	S	.	*	H	α-helix	trans	-73.3	-30.8	173.9	-72.6	0	0	0	0	112.6	N251 I252 Q253 T258 C259	N251-C255 VanDerWaalsContact O-CB 3.23Å; N251-C255 WeakPolarHBondContact O-CB 3.48Å; N251-C255 PolarHBondContact O-N 2.81Å; N251-C255 PolarHBondContact O-SG 3.15Å; I252-C255 CarbonylContact O-C 3.58Å; I252-C255 WeakPolarHBondContact O-CA 3.43Å; I252-C255 WeakPolarHBondContact O-CB 3.38Å; I252-C255 PolarHBondContact O-N 2.96Å; Q253-C255 VanDerWaalsContact C-N 3.33Å; Q253-C255 PolarHBondContact O-N 2.9Å; C255-T258 WeakPolarHBondContact CA-OG1 3.18Å; C255-C259 WeakPolarHBondContact O-CB 3.15Å; C255-C259 PolarHBondContact O-N 3Å; C255-C259 PolarHBondContact O-SG 3.27Å
256	E	56.6	Low	44.4	Very low	130 Å²	130	108 Å²	108	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-71.7	-48.9	172	-72	-175	158.5	0	0	110.4	I252 Q253 T258 C259 E260	I252-E256 WeakPolarHBondContact O-CG 3.49Å; I252-E256 PolarHBondContact O-N 2.75Å; Q253-E256 PolarHBondContact O-N 2.86Å; E256-T258 PolarHBondContact O-N 3.15Å; E256-C259 CarbonylContact O-C 3.54Å; E256-C259 WeakPolarHBondContact O-CB 3.31Å; E256-C259 PolarHBondContact O-N 2.96Å; E256-C259 VanDerWaalsContact O-N 3.1Å; E256-E260 PolarHBondContact O-N 2.72Å
257	E	51.7	Low	42.9	Very low	101 Å²	101	111.9 Å²	111.9	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-39.7	174.2	-72.5	178.6	-168.4	0	0	112.2	Q253 E260 L261	Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CB 3.35Å; Q253-E257 WeakPolarHBondContact O-CG 3.38Å; Q253-E257 PolarHBondContact O-N 3.46Å; E257-E260 PolarHBondContact O-N 3.4Å; E257-L261 WeakPolarHBondContact O-CG 3.31Å; E257-L261 PolarHBondContact O-N 2.64Å
258	T	38.8	Very low	42.5	Very low	44 Å²	44	115.5 Å²	115.5	27%	0.27	60%	0.604	S	S	.	*	H	α-helix	trans	-77.6	-19.9	174.6	54.9	0	0	0	0	114	F254 C255 E256 L261 G262 L263	F254-T258 HydrophobicContact CD1-CG2 4.29Å; F254-T258 HydrophobicContact CD2-CG2 4.48Å; F254-T258 HydrophobicContact CE1-CG2 3.91Å; F254-T258 HydrophobicContact CE2-CG2 4.12Å; F254-T258 HydrophobicContact CZ-CG2 3.83Å; F254-T258 VanDerWaalsContact O-CB 3.31Å; F254-T258 WeakPolarHBondContact O-CB 3.17Å; F254-T258 VanDerWaalsContact O-CG2 3.3Å; F254-T258 WeakPolarHBondContact O-CG2 3.49Å; F254-T258 PolarHBondContact O-N 3.42Å; F254-T258 PolarHBondContact O-OG1 2.87Å; C255-T258 WeakPolarHBondContact CA-OG1 3.18Å; E256-T258 PolarHBondContact O-N 3.15Å; T258-L261 CarbonylContact O-C 3.56Å; T258-G262 PolarHBondContact O-N 3.21Å; T258-G262 VanDerWaalsContact O-N 3.07Å; T258-L263 PolarHBondContact O-N 3.31Å
259	C	34.8	Very low	41.8	Very low	72 Å²	72	119.3 Å²	119.3	49%	0.486	63%	0.625	S	S	.	*	H	α-helix	trans	-74.4	-37.7	165.9	-79.4	0	0	0	0	112	C255 E256 L261 G262	C255-C259 WeakPolarHBondContact O-CB 3.15Å; C255-C259 PolarHBondContact O-N 3Å; C255-C259 PolarHBondContact O-SG 3.27Å; E256-C259 CarbonylContact O-C 3.54Å; E256-C259 WeakPolarHBondContact O-CB 3.31Å; E256-C259 PolarHBondContact O-N 2.96Å; E256-C259 VanDerWaalsContact O-N 3.1Å; C259-L261 PolarHBondContact O-N 3.45Å; C259-G262 PolarHBondContact O-N 2.66Å
260	E	48.7	Very low	39.8	Very low	179 Å²	179	119 Å²	119	84%	0.836	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-31.7	169.3	-69.5	-157.5	150.8	0	0	111.6	E256 E257 G262	E256-E260 PolarHBondContact O-N 2.72Å; E257-E260 PolarHBondContact O-N 3.4Å; E260-G262 VanDerWaalsContact C-N 3.33Å
261	L	49.6	Very low	38.5	Very low	131 Å²	131	118.5 Å²	118.5	69%	0.686	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	0.7	171.9	-64.2	170.8	0	0	0	114.5	E257 T258 C259 L263	E257-L261 WeakPolarHBondContact O-CG 3.31Å; E257-L261 PolarHBondContact O-N 2.64Å; T258-L261 CarbonylContact O-C 3.56Å; C259-L261 PolarHBondContact O-N 3.45Å; L261-L263 PolarHBondContact O-N 3.39Å
262	G	31.1	Very low	37.9	Very low	56 Å²	56	124.2 Å²	124.2	58%	0.577	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.2	12.3	163.8	0	0	0	0	0	118.1	T258 C259 E260 K264	T258-G262 PolarHBondContact O-N 3.21Å; T258-G262 VanDerWaalsContact O-N 3.07Å; C259-G262 PolarHBondContact O-N 2.66Å; E260-G262 VanDerWaalsContact C-N 3.33Å; G262-K264 VanDerWaalsContact C-N 3.29Å; G262-K264 PolarHBondContact O-N 3.04Å; G262-K264 VanDerWaalsContact O-N 3.11Å
263	L	33.7	Very low	36.3	Very low	134 Å²	134	130.2 Å²	130.2	70%	0.702	68%	0.679	S	S	*	*			trans	-88.9	45.4	-172.3	-74.8	167.1	0	0	0	114.2	T258 L261 D265	T258-L263 PolarHBondContact O-N 3.31Å; L261-L263 PolarHBondContact O-N 3.39Å; L263-D265 PolarHBondContact O-N 3.26Å
264	K	32.9	Very low	34.7	Very low	165 Å²	165	133.1 Å²	133.1	72%	0.717	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-22.4	-163.5	-161.2	166	-175.1	168.8	0	116.2	G262	G262-K264 VanDerWaalsContact C-N 3.29Å; G262-K264 PolarHBondContact O-N 3.04Å; G262-K264 VanDerWaalsContact O-N 3.11Å
265	D	33.2	Very low	33.8	Very low	160 Å²	160	133.3 Å²	133.3	86%	0.856	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-0.7	-162.2	-62.3	-23.3	0	0	0	115.5	L263	L263-D265 PolarHBondContact O-N 3.26Å
266	C	27.6	Very low	33.3	Very low	108 Å²	108	136.7 Å²	136.7	73%	0.73	73%	0.728	S	S	*	*	S	Bend	trans	-91.9	-18.4	-166.1	-72.5	0	0	0	0	116.8
267	L	24	Very low	31.9	Very low	157 Å²	157	137.8 Å²	137.8	82%	0.822	74%	0.739	S	S	*	*	S	Bend	trans	-147.6	95.8	-171.1	-72.1	175	0	0	0	113.8
268	L	28.3	Very low	30.7	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	75%	0.752	S	S	*	*			trans	174	95	136.6	-97.6	164.1	0	0	0	111.6
269	L	26.4	Very low	30.2	Very low	170 Å²	170	142.5 Å²	142.5	89%	0.89	78%	0.779	S	S	*	*			trans	-139.5	86.8	168.5	-82.8	176	0	0	0	110.8
270	V	22.6	Very low	29.9	Very low	131 Å²	131	147 Å²	147	79%	0.794	79%	0.793	S	S	*	*			trans	-137	86.3	166.6	-175.7	0	0	0	0	109
271	P	27.3	Very low	28.6	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	79%	0.793	S	S	*	*			trans	-78.9	143.3	176.1	32	-33	0	0	0	111.2
272	K	24.9	Very low	27.6	Very low	204 Å²	204	151.3 Å²	151.3	89%	0.887	80%	0.799	S	S	*	*			trans	-107.1	141.9	167.7	-77.1	-169.8	173.6	-173.8	0	110.7
273	Y	26.2	Very low	27.4	Very low	215 Å²	215	157.2 Å²	157.2	84%	0.843	81%	0.811	S	S	*	*			trans	-81.5	159	179.2	-67.4	-102.2	0	0	0	111.7
274	N	25.3	Very low	27.2	Very low	170 Å²	170	155.6 Å²	155.6	91%	0.909	81%	0.811	S	S	*	*			trans	-158	156.5	143	-107.4	-18.9	0	0	0	111.5
275	T	28.2	Very low	26.7	Very low	129 Å²	129	153.5 Å²	153.5	79%	0.791	81%	0.812	S	S	*	*			trans	-100.5	147.4	-165.7	48.9	0	0	0	0	113.9
276	V	28	Very low	26.4	Very low	142 Å²	142	154.3 Å²	154.3	86%	0.861	81%	0.811	S	S	*	*			trans	-143	150.2	156.3	-177.2	0	0	0	0	109.7
277	D	26.8	Very low	26.2	Very low	153 Å²	153	157 Å²	157	82%	0.818	82%	0.815	S	S	*	*			trans	-75.7	172.7	-159.6	-57.1	-79.8	0	0	0	119.2
278	S	26.3	Very low	26.6	Very low	107 Å²	107	159.6 Å²	159.6	75%	0.748	82%	0.819	S	S	*	*			trans	-70.5	159.5	179.5	59.8	0	0	0	0	116.5
279	T	28.1	Very low	26.4	Very low	137 Å²	137	160.4 Å²	160.4	84%	0.84	82%	0.819	S	S	*	*			trans	-152.4	135.9	139.8	7.3	0	0	0	0	113.8
280	E	28.5	Very low	26.7	Very low	167 Å²	167	156 Å²	156	78%	0.78	81%	0.814	S	S	*	*			trans	51.2	100.2	156.5	-55.6	-144.6	136.6	0	0	122.4
281	Y	21.9	Very low	26.8	Very low	214 Å²	214	158.5 Å²	158.5	84%	0.839	82%	0.817	S	S	*	*			trans	-59.5	155.9	150.1	-107.8	-113	0	0	0	113.7
282	K	29	Very low	26.6	Very low	186 Å²	186	161.1 Å²	161.1	81%	0.809	82%	0.822	S	S	*	*			trans	-154.5	147.9	142.9	-113.7	150.1	-165.6	146.7	0	113.1
283	Q	25.9	Very low	26.7	Very low	179 Å²	179	158.7 Å²	158.7	84%	0.836	82%	0.819	S	S	*	*			trans	-107.2	146.8	-165.3	-55.3	157.5	-63.7	0	0	113.1
284	S	28.8	Very low	27	Very low	100 Å²	100	152.2 Å²	152.2	70%	0.699	82%	0.818	S	S	*	*			trans	-176.8	122	139.2	53.6	0	0	0	0	107.5
285	T	24.3	Very low	27	Very low	121 Å²	121	151.5 Å²	151.5	74%	0.742	81%	0.814	S	S	*	*				50.5	137.5	70.9	68.5	0	0	0	0	113.1
286	E	26.3	Very low	27.1	Very low	178 Å²	178	154.7 Å²	154.7	83%	0.832	82%	0.82	S	S	*	*			cis	-154.5	171.8	17.5	-149.3	160.9	-125.8	0	0	113.9
287	M	22.9	Very low	27.5	Very low	163 Å²	163	153.4 Å²	153.4	80%	0.803	82%	0.817	S	S	*	*			trans	-41.2	150.7	177.9	-63.5	-70.3	-167.8	0	0	117.2
288	K	32.4	Very low	28.4	Very low	212 Å²	212	151.5 Å²	151.5	92%	0.922	81%	0.813	S	S	*	*			trans	-158.3	127.1	130.8	-118.1	159.9	-169.9	164.7	0	114.6
289	E	24.8	Very low	28.6	Very low	185 Å²	185	153 Å²	153	86%	0.864	81%	0.812	S	S	*	*			trans	-81.7	160.8	175	-59.6	165.2	105.2	0	0	111.9
290	G	31.3	Very low	28.6	Very low	77 Å²	77	150.2 Å²	150.2	79%	0.794	80%	0.799	S	S	*	*			trans	-159.2	122.8	171.5	0	0	0	0	0	110.5
291	Q	26.1	Very low	28.4	Very low	185 Å²	185	149.3 Å²	149.3	86%	0.864	80%	0.8	S	S	*	*			trans	-96	141	-163.7	-63.5	178.2	-46.3	0	0	114.8
292	M	23.6	Very low	28.6	Very low	159 Å²	159	146.7 Å²	146.7	78%	0.783	80%	0.797	S	S	*	*			trans	60.9	141.4	134.6	-80.1	-160.8	169.7	0	0	124.5
293	N	25.6	Very low	28.5	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	80%	0.796	S	S	*	*			trans	80.2	125	143.6	-64.7	-19.3	0	0	0	121
294	G	32.4	Very low	28.9	Very low	79 Å²	79	143.6 Å²	143.6	81%	0.814	80%	0.795	S	S	*	*			trans	178.4	66	173.1	0	0	0	0	0	114.3
295	N	26.7	Very low	28.9	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	80%	0.803	S	S	*	*			trans	-77.1	139.1	173.9	-73.8	-24.3	0	0	0	112.2
296	Q	29.5	Very low	29	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	80%	0.802	S	S	*	*				176.3	151.5	128.4	-96.8	162.9	15.4	0	0	114.8
297	S	36.1	Very low	29.2	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	80%	0.8	S	S	*	*			trans	-91.6	-166.6	169.4	-29	0	0	0	0	110.5
298	P	45.1	Very low	29.4	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	80%	0.799	S	S	*	*			cis	-113.3	-149.6	0.1	36.5	-15.3	0	0	0	111.1
299	D	31.3	Very low	29.2	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	79%	0.79	S	S	*	*			cis	-146.2	163	7	-104.7	-44.8	0	0	0	107.2
300	S	27.4	Very low	29.4	Very low	80 Å²	80	145.4 Å²	145.4	56%	0.559	79%	0.786	S	S	*	*			cis	112.9	120	19.2	102.7	0	0	0	0	115.6
301	N	25.5	Very low	29.1	Very low	148 Å²	148	150 Å²	150	79%	0.791	79%	0.786	S	S	*	*			trans	65	155.4	169.3	-62	-74.3	0	0	0	118
302	M	26.2	Very low	29.1	Very low	158 Å²	158	146.3 Å²	146.3	78%	0.778	78%	0.781	S	S	*	*			cis	-158	148.6	16.2	-147.9	-175.9	-155.4	0	0	115.6
303	K	25.7	Very low	29.5	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.796	78%	0.784	S	S	*	*			trans	-9.7	133.6	161.4	-59.4	165.8	178.9	171.1	0	123.1
304	S	34.8	Very low	29.4	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	78%	0.782	S	S	*	*			trans	-166.7	104.3	134.3	57.4	0	0	0	0	112.1
305	K	28.5	Very low	30	Very low	198 Å²	198	145.5 Å²	145.5	86%	0.861	78%	0.776	S	S	*	*				71.9	91.2	84.5	-92.6	-163.2	171.8	-169.7	0	118.8
306	I	26.1	Very low	30	Very low	140 Å²	140	142.9 Å²	142.9	72%	0.718	77%	0.77	S	S	*	*				44.5	122.5	127.9	-55.7	168.8	0	0	0	120.7
307	N	30.7	Very low	29.8	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	77%	0.771	S	S	*	*			trans	-163.2	129.2	139.4	-83.1	-32.1	0	0	0	104.9
308	Q	28	Very low	29.3	Very low	164 Å²	164	141.5 Å²	141.5	77%	0.766	77%	0.772	S	S	*	*				51.8	115.4	63.4	-73.5	-177.3	-31.1	0	0	111.7
309	D	28.8	Very low	28.3	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	78%	0.777	S	S	*	*			cis	-158.5	168.2	46.7	-96.1	-25.9	0	0	0	115.5
310	R	27.9	Very low	28.2	Very low	208 Å²	208	141.3 Å²	141.3	79%	0.785	77%	0.774	S	S	*	*			trans	69.1	104.5	151.7	-79.9	176.6	172.2	150.8	2.4	123.2
311	E	25.8	Very low	28.3	Very low	173 Å²	173	140.7 Å²	140.7	81%	0.808	77%	0.774	S	S	*	*				29.1	120.2	111	-55.8	172.8	141	0	0	118.4
312	S	26.4	Very low	28.8	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	77%	0.773	S	S	*	*				175.1	171.9	87.6	42.9	0	0	0	0	112.5
313	N	30.6	Very low	29.1	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	77%	0.773	S	S	*	*			trans	82.6	85.6	170.2	-57.2	-26.1	0	0	0	119.4
314	S	23.9	Very low	29.8	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	77%	0.771	S	S	*	*			trans	-63.3	174.6	153.5	51.6	0	0	0	0	114.9
315	P	45.2	Very low	29.7	Very low	108 Å²	108	136.6 Å²	136.6	70%	0.701	77%	0.765	S	S	*	*			cis	-142.6	171.9	-30.4	36.4	-17.5	0	0	0	116.1
316	S	25.7	Very low	29.6	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	77%	0.765	S	S	*	*			trans	44.9	106.3	141.4	67	0	0	0	0	121.7
317	I	25.5	Very low	29.7	Very low	181 Å²	181	136.7 Å²	136.7	93%	0.928	77%	0.766	S	S	*	*			trans	-131.5	107.3	131.5	-61.6	171.6	0	0	0	107.2
318	A	26.5	Very low	29.3	Very low	100 Å²	100	141.5 Å²	141.5	83%	0.826	77%	0.773	S	S	*	*			trans	-152	112.1	169.3	0	0	0	0	0	109
319	S	23.7	Very low	29.3	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	77%	0.772	S	S	*	*			trans	-80	140.8	166.7	51.4	0	0	0	0	110
320	D	29.7	Very low	29.1	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	78%	0.775	S	S	*	*			trans	-147.2	153.9	156.1	-162.9	18.6	0	0	0	111	R1581	D320-R1581 IonicContact OD2-CZ 2.8Å; D320-R1581 IonicContact OD2-NH1 2.58Å; D320-R1581 PolarHBondContact OD2-NH1 2.77Å; D320-R1581 IonicContact OD2-NH2 2.72Å
321	A	30.1	Very low	29.2	Very low	67 Å²	67	137.9 Å²	137.9	55%	0.554	78%	0.782	S	S	*	*			trans	-104.9	157.9	-163.6	0	0	0	0	0	114
322	P	34.8	Very low	29.2	Very low	117 Å²	117	141 Å²	141	76%	0.76	79%	0.786	S	S	*	*			trans	-90.1	145.2	-169.1	34.7	-35.6	0	0	0	114.7
323	V	32.2	Very low	29.3	Very low	128 Å²	128	140.8 Å²	140.8	78%	0.776	79%	0.785	S	S	*	*			trans	-129.1	140.3	179.5	177.9	0	0	0	0	108.5
324	P	41.7	Very low	29.3	Very low	117 Å²	117	142 Å²	142	76%	0.76	78%	0.782	S	S	*	*				-105.7	167.6	-117.6	34.3	-32.4	0	0	0	117.8	T326	P324-T326 PolarHBondContact O-N 3.44Å
325	K	31.8	Very low	29.6	Very low	158 Å²	158	145.5 Å²	145.5	69%	0.687	78%	0.779	S	S	*	*			trans	-69.7	106.4	-177.6	-67.8	164.6	-177	164.2	0	111.2	R327	K325-R327 PolarHBondContact O-N 3Å; K325-R327 VanDerWaalsContact O-N 3.13Å
326	T	25.8	Very low	28.9	Very low	141 Å²	141	145 Å²	145	87%	0.865	78%	0.778	S	S	*	*			trans	-58.3	111.8	176.2	37.3	0	0	0	0	112	P324 R328	P324-T326 PolarHBondContact O-N 3.44Å; T326-R328 PolarHBondContact O-N 3.01Å
327	R	27.9	Very low	29.1	Very low	198 Å²	198	149 Å²	149	75%	0.747	78%	0.783	S	S	*	*			trans	-74.7	106.4	-177.5	-162.1	-175.6	-129.1	179.6	6.8	109.4	K325 L329	K325-R327 PolarHBondContact O-N 3Å; K325-R327 VanDerWaalsContact O-N 3.13Å; R327-L329 HydrophobicContact CG-CD2 4.34Å; R327-L329 PolarHBondContact O-N 3.31Å
328	R	23.3	Very low	29.2	Very low	252 Å²	252	144 Å²	144	95%	0.951	76%	0.758	S	S	*	*			trans	-58.8	97.9	165.5	-94.3	-173.6	169.1	-171.8	-3.1	109	T326	T326-R328 PolarHBondContact O-N 3.01Å
329	L	27.4	Very low	29.2	Very low	142 Å²	142	143 Å²	143	74%	0.743	74%	0.744	S	S	*	*			trans	-74.6	129	172.8	-67.3	172.4	0	0	0	108.9	R327 L331	R327-L329 HydrophobicContact CG-CD2 4.34Å; R327-L329 PolarHBondContact O-N 3.31Å; L329-L331 PolarHBondContact O-N 3.46Å
330	S	26	Very low	29.7	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	73%	0.734	S	S	*	*			trans	-77.7	113.4	-173.7	52	0	0	0	0	111.5	R332	S330-R332 VanDerWaalsContact C-N 3.35Å; S330-R332 PolarHBondContact O-N 2.88Å
331	L	28.9	Very low	29.6	Very low	178 Å²	178	141.5 Å²	141.5	93%	0.932	73%	0.728	S	S	*	*			trans	-64.6	89.6	167.3	-72.6	167.1	0	0	0	110.5	L329	L329-L331 PolarHBondContact O-N 3.46Å
332	R	25.7	Very low	29.5	Very low	239 Å²	239	145.9 Å²	145.9	90%	0.902	74%	0.737	S	S	*	*			trans	-147	110	155.2	-124.9	174.5	-170.4	-171.2	0.7	112.5	S330	S330-R332 VanDerWaalsContact C-N 3.35Å; S330-R332 PolarHBondContact O-N 2.88Å
333	S	29.7	Very low	29.3	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	74%	0.739	S	S	*	*			trans	-54.2	160.6	173.4	-179.2	0	0	0	0	113.2	R335	S333-R335 PolarHBondContact O-N 2.84Å
334	K	30.5	Very low	29	Very low	181 Å²	181	150.2 Å²	150.2	79%	0.787	74%	0.735	S	S	*	*	S	Bend	trans	-41.2	51	172.2	-160.8	179.6	-179.6	-177.3	0	116.5
335	R	29	Very low	28.7	Very low	184 Å²	184	149 Å²	149	69%	0.694	72%	0.722	S	S	*	*			trans	-112.2	4.2	178.7	-91.5	-170	175.1	179.3	-0.8	114.5	S333 F337 C339	S333-R335 PolarHBondContact O-N 2.84Å; R335-F337 VanDerWaalsContact C-N 3.33Å; R335-C339 VanDerWaalsContact O-CB 3.3Å; R335-C339 WeakPolarHBondContact O-CB 3.09Å; R335-C339 PolarHBondContact O-N 3.22Å; R335-C339 PolarHBondContact O-SG 3.46Å
336	S	31	Very low	28.9	Very low	99 Å²	99	150.5 Å²	150.5	69%	0.692	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-16.1	-177.5	51.2	0	0	0	0	114.1	S340	S336-S340 PolarHBondContact O-OG 2.84Å
337	F	28.8	Very low	29.3	Very low	183 Å²	183	148 Å²	148	80%	0.803	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-61.9	177	-140.7	-105.9	0	0	0	109.9	R335 C339 S340	R335-F337 VanDerWaalsContact C-N 3.33Å; F337-C339 PolarHBondContact O-N 3.44Å; F337-S340 VanDerWaalsContact O-CB 3.32Å; F337-S340 WeakPolarHBondContact O-CB 3.07Å; F337-S340 PolarHBondContact O-N 3.46Å
338	D	28	Very low	29.8	Very low	77 Å²	77	146.3 Å²	146.3	41%	0.412	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-56.5	-51	-176.4	-23.6	-40.2	0	0	0	112.3	S340 F341 E342	D338-S340 PolarHBondContact O-N 3.45Å; D338-F341 PolarHBondContact O-N 3Å; D338-E342 PolarHBondContact O-N 3.38Å
339	C	28.1	Very low	30.2	Very low	80 Å²	80	143.1 Å²	143.1	54%	0.541	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-65.3	-3.5	178.6	-66.4	0	0	0	0	114.9	R335 F337	R335-C339 VanDerWaalsContact O-CB 3.3Å; R335-C339 WeakPolarHBondContact O-CB 3.09Å; R335-C339 PolarHBondContact O-N 3.22Å; R335-C339 PolarHBondContact O-SG 3.46Å; F337-C339 PolarHBondContact O-N 3.44Å
340	S	32.4	Very low	30.5	Very low	88 Å²	88	139 Å²	139	62%	0.615	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-89.2	-14.7	173.2	-62.7	0	0	0	0	113.2	S336 F337 D338	S336-S340 PolarHBondContact O-OG 2.84Å; F337-S340 VanDerWaalsContact O-CB 3.32Å; F337-S340 WeakPolarHBondContact O-CB 3.07Å; F337-S340 PolarHBondContact O-N 3.46Å; D338-S340 PolarHBondContact O-N 3.45Å
341	F	28	Very low	31.3	Very low	127 Å²	127	140.2 Å²	140.2	56%	0.557	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-40.1	178.8	-115	-99.3	0	0	0	112.8	D338 L343 W344	D338-F341 PolarHBondContact O-N 3Å; F341-L343 PolarHBondContact O-N 2.82Å; F341-W344 HydrophobicContact CD1-CH2 4.14Å; F341-W344 HydrophobicContact CD1-CZ2 4.16Å; F341-W344 HydrophobicContact CD1-CZ3 4.33Å; F341-W344 HydrophobicContact CE1-CE3 4.38Å; F341-W344 AromaticContact CE1-CH2 3.32Å; F341-W344 HydrophobicContact CE1-CH2 3.32Å; F341-W344 AromaticContact CE1-CZ2 3.65Å; F341-W344 HydrophobicContact CE1-CZ2 3.65Å; F341-W344 AromaticContact CE1-CZ3 3.73Å; F341-W344 HydrophobicContact CE1-CZ3 3.73Å; F341-W344 HydrophobicContact CE2-CH2 4.46Å; F341-W344 HydrophobicContact CE2-CZ2 4.16Å; F341-W344 AromaticContact CZ-CH2 3.53Å; F341-W344 HydrophobicContact CZ-CH2 3.53Å; F341-W344 AromaticContact CZ-CZ2 3.65Å; F341-W344 HydrophobicContact CZ-CZ2 3.65Å; F341-W344 HydrophobicContact CZ-CZ3 4.38Å; F341-W344 PolarHBondContact O-N 3.46Å
342	E	28.8	Very low	31.8	Very low	158 Å²	158	140.3 Å²	140.3	74%	0.738	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	13.6	-176.3	-63.1	-171.3	144.7	0	0	115.3	D338	D338-E342 PolarHBondContact O-N 3.38Å
343	L	29.7	Very low	32.2	Very low	155 Å²	155	134 Å²	134	81%	0.812	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	27	171.5	-126.4	90.8	0	0	0	113.5	F341 D345	F341-L343 PolarHBondContact O-N 2.82Å; L343-D345 PolarHBondContact O-N 3.41Å
344	W	27.1	Very low	32.6	Very low	182 Å²	182	136.4 Å²	136.4	69%	0.689	66%	0.656	S	S	*	*			trans	-72.3	99.4	155.8	-67.8	4.7	0	0	0	108.2	F341 E346	F341-W344 HydrophobicContact CD1-CH2 4.14Å; F341-W344 HydrophobicContact CD1-CZ2 4.16Å; F341-W344 HydrophobicContact CD1-CZ3 4.33Å; F341-W344 HydrophobicContact CE1-CE3 4.38Å; F341-W344 AromaticContact CE1-CH2 3.32Å; F341-W344 HydrophobicContact CE1-CH2 3.32Å; F341-W344 AromaticContact CE1-CZ2 3.65Å; F341-W344 HydrophobicContact CE1-CZ2 3.65Å; F341-W344 AromaticContact CE1-CZ3 3.73Å; F341-W344 HydrophobicContact CE1-CZ3 3.73Å; F341-W344 HydrophobicContact CE2-CH2 4.46Å; F341-W344 HydrophobicContact CE2-CZ2 4.16Å; F341-W344 AromaticContact CZ-CH2 3.53Å; F341-W344 HydrophobicContact CZ-CH2 3.53Å; F341-W344 AromaticContact CZ-CZ2 3.65Å; F341-W344 HydrophobicContact CZ-CZ2 3.65Å; F341-W344 HydrophobicContact CZ-CZ3 4.38Å; F341-W344 PolarHBondContact O-N 3.46Å; W344-E346 PolarHBondContact O-N 2.95Å; W344-E346 VanDerWaalsContact O-N 3.11Å
345	D	35.9	Very low	33.2	Very low	91 Å²	91	132 Å²	132	49%	0.487	64%	0.64	S	S	.	*			trans	-54.1	115.1	171.8	-175.3	-13.1	0	0	0	109	L343 N347 Y348	L343-D345 PolarHBondContact O-N 3.41Å; D345-N347 PolarHBondContact O-N 3.01Å; D345-N347 WeakPolarHBondContact OD1-CB 3.44Å; D345-N347 PolarHBondContact OD1-N 3.45Å; D345-N347 PolarHBondContact OD1-ND2 3.07Å; D345-Y348 VanDerWaalsContact O-CB 3.32Å; D345-Y348 WeakPolarHBondContact O-CB 3.43Å; D345-Y348 PolarHBondContact O-N 3.31Å
346	E	34.7	Very low	33.6	Very low	189 Å²	189	127.1 Å²	127.1	88%	0.883	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-57	-21	-178.3	-62.1	-175.5	132.4	0	0	111.9	W344 Y348	W344-E346 PolarHBondContact O-N 2.95Å; W344-E346 VanDerWaalsContact O-N 3.11Å; E346-Y348 VanDerWaalsContact C-N 3.26Å; E346-Y348 PolarHBondContact O-N 3Å
347	N	34.8	Very low	34.4	Very low	88 Å²	88	128.4 Å²	128.4	47%	0.471	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-81.6	8.2	175.1	-61.3	-81.7	0	0	0	114.5	D345 F349 S350	D345-N347 PolarHBondContact O-N 3.01Å; D345-N347 WeakPolarHBondContact OD1-CB 3.44Å; D345-N347 PolarHBondContact OD1-N 3.45Å; D345-N347 PolarHBondContact OD1-ND2 3.07Å; N347-F349 PolarHBondContact O-N 3.46Å; N347-F349 VanDerWaalsContact O-N 3.09Å; N347-S350 WeakPolarHBondContact CA-OG 3.44Å; N347-S350 WeakPolarHBondContact O-CB 3.36Å; N347-S350 PolarHBondContact O-N 2.87Å; N347-S350 PolarHBondContact OD1-OG 3.11Å
348	Y	37.9	Very low	35.5	Very low	164 Å²	164	121.1 Å²	121.1	64%	0.643	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-54.7	-30.9	178	-169.2	-94.5	0	0	0	113	D345 E346	D345-Y348 VanDerWaalsContact O-CB 3.32Å; D345-Y348 WeakPolarHBondContact O-CB 3.43Å; D345-Y348 PolarHBondContact O-N 3.31Å; E346-Y348 VanDerWaalsContact C-N 3.26Å; E346-Y348 PolarHBondContact O-N 3Å
349	F	31	Very low	36.6	Very low	185 Å²	185	125.1 Å²	125.1	81%	0.811	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-103.6	3.3	175.7	-61.7	-72.5	0	0	0	114.2	N347 V351	N347-F349 PolarHBondContact O-N 3.46Å; N347-F349 VanDerWaalsContact O-N 3.09Å; F349-V351 PolarHBondContact O-N 2.84Å
350	S	35.4	Very low	38.4	Very low	54 Å²	54	123 Å²	123	38%	0.378	61%	0.606	S	S	.	*			trans	-69.8	127	177.8	-70.8	0	0	0	0	111.4	N347 E352	N347-S350 WeakPolarHBondContact CA-OG 3.44Å; N347-S350 WeakPolarHBondContact O-CB 3.36Å; N347-S350 PolarHBondContact O-N 2.87Å; N347-S350 PolarHBondContact OD1-OG 3.11Å; S350-E352 VanDerWaalsContact C-N 3.33Å; S350-E352 PolarHBondContact O-N 3.01Å
351	V	42.8	Very low	40.4	Very low	140 Å²	140	121.5 Å²	121.5	85%	0.848	59%	0.593	S	S	*	*	S	Bend	trans	-69.4	-29.2	-173.1	-174.3	0	0	0	0	112.6	F349 R353	F349-V351 PolarHBondContact O-N 2.84Å; V351-R353 PolarHBondContact O-N 3.07Å; V351-R353 VanDerWaalsContact O-N 3.14Å
352	E	37.5	Very low	42.9	Very low	179 Å²	179	116 Å²	116	84%	0.836	57%	0.569	S	S	*	*			trans	-91.2	62.3	-169.1	-60.3	-170.9	176.5	0	0	113.8	S350 K354	S350-E352 VanDerWaalsContact C-N 3.33Å; S350-E352 PolarHBondContact O-N 3.01Å; E352-K354 PolarHBondContact O-N 2.99Å
353	R	34.4	Very low	45.5	Very low	107 Å²	107	110.5 Å²	110.5	40%	0.404	54%	0.542	S	S	.	.			trans	-61.3	131.6	177.7	-68.6	-176.1	-178.4	158.8	4.6	112.7	V351 A393	V351-R353 PolarHBondContact O-N 3.07Å; V351-R353 VanDerWaalsContact O-N 3.14Å; R353-A393 PolarHBondContact NH1-O 3.28Å
354	K	39.6	Very low	47.9	Very low	154 Å²	154	103.1 Å²	103.1	67%	0.67	50%	0.503	S	S	*	.			trans	-108.2	124	159.8	-71	176.1	-176.3	166.6	0	109.2	E352 S356 Q357	E352-K354 PolarHBondContact O-N 2.99Å; K354-S356 PolarHBondContact O-N 3.02Å; K354-Q357 PolarHBondContact O-N 3.37Å
355	I	41.6	Very low	50.3	Low	88 Å²	88	95.3 Å²	95.3	45%	0.451	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-55.2	-27.7	-171.9	-62.8	172.6	0	0	0	112.6	Q357 L358 E359	I355-Q357 PolarHBondContact O-N 3.24Å; I355-Q357 VanDerWaalsContact O-N 3.14Å; I355-L358 WeakPolarHBondContact O-CA 3.23Å; I355-L358 WeakPolarHBondContact O-CB 3.46Å; I355-L358 PolarHBondContact O-N 3.36Å; I355-E359 PolarHBondContact O-N 3.38Å
356	S	39.1	Very low	52.1	Low	81 Å²	81	95.2 Å²	95.2	57%	0.566	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-58.8	-20.3	175.8	55.9	0	0	0	0	115.4	K354 L358	K354-S356 PolarHBondContact O-N 3.02Å; S356-L358 VanDerWaalsContact C-N 3.32Å
357	Q	47.6	Very low	53.9	Low	126 Å²	126	90.6 Å²	90.6	59%	0.589	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-83.3	-10.2	172.9	-71.9	174.5	-43.2	0	0	113.2	K354 I355 R469	K354-Q357 PolarHBondContact O-N 3.37Å; I355-Q357 PolarHBondContact O-N 3.24Å; I355-Q357 VanDerWaalsContact O-N 3.14Å; Q357-R469 PolarHBondContact O-NH2 3.09Å
358	L	50.2	Low	55.6	Low	31 Å²	31	86.9 Å²	86.9	16%	0.162	43%	0.434	C	S	.	.	S	Bend	trans	-104.7	2.7	177.2	-62.4	175.5	0	0	0	112.8	I355 S356 G360 A393 W399	I355-L358 WeakPolarHBondContact O-CA 3.23Å; I355-L358 WeakPolarHBondContact O-CB 3.46Å; I355-L358 PolarHBondContact O-N 3.36Å; S356-L358 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.4Å; L358-G360 VanDerWaalsContact O-N 3.08Å; L358-A393 HydrophobicContact CD1-CB 3.45Å; L358-A393 VanDerWaalsContact CD1-CB 3.45Å; L358-W399 HydrophobicContact CD1-CZ2 4.36Å; L358-W399 HydrophobicContact CD2-CH2 3.97Å; L358-W399 HydrophobicContact CD2-CZ2 4.12Å
359	E	53	Low	57	Low	160 Å²	160	83.7 Å²	83.7	75%	0.748	43%	0.428	S	S	*	.			trans	-64.7	108.6	167.8	-73.6	-167.8	104.6	0	0	109.9	I355	I355-E359 PolarHBondContact O-N 3.38Å
360	G	64.7	Low	58.3	Low	35 Å²	35	79.3 Å²	79.3	36%	0.361	41%	0.409	S	S	.	.	S	Bend	trans	176.9	165	-176.8	0	0	0	0	0	112.3	L358	L358-G360 PolarHBondContact O-N 3.4Å; L358-G360 VanDerWaalsContact O-N 3.08Å
361	V	74.5	Confident	59.2	Low	57 Å²	57	83.2 Å²	83.2	35%	0.345	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134	172.2	179.6	0	0	0	0	109.2	Y363 Q387	V361-Y363 HydrophobicContact CG1-CE1 4.06Å; V361-Y363 HydrophobicContact CG1-CE2 3.84Å; V361-Y363 WeakPolarHBondContact CG1-OH 3.35Å; V361-Q387 HydrophobicContact CG1-CG 3.54Å; V361-Q387 VanDerWaalsContact CG1-NE2 3.32Å
362	H	80.9	Confident	59.6	Low	11 Å²	11	83.2 Å²	83.2	5%	0.051	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.2	175.5	-69.5	-100.7	0	0	0	110.3	V388 W399 L467 T468	H362-V388 HydrophobicContact CB-CG2 3.86Å; H362-V388 PolarHBondContact N-O 3.24Å; H362-V388 PolarHBondContact O-N 3.13Å; H362-W399 AromaticContact CE1-CZ3 3.94Å; H362-L467 HydrophobicContact CB-CB 4.38Å; H362-T468 CarbonylContact C-O 3.6Å; H362-T468 WeakPolarHBondContact CA-O 3.29Å
363	Y	83	Confident	60	Low	44 Å²	44	80 Å²	80	17%	0.173	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.2	-177.2	-57	-83.3	0	0	0	110	V361 A365 Q386 Q387 L467 T468 L471	V361-Y363 HydrophobicContact CG1-CE1 4.06Å; V361-Y363 HydrophobicContact CG1-CE2 3.84Å; V361-Y363 WeakPolarHBondContact CG1-OH 3.35Å; Y363-A365 PolarHBondContact O-N 3.44Å; Y363-Q386 WeakPolarHBondContact CA-O 3.5Å; Y363-Q387 HydrophobicContact CD1-CB 4.28Å; Y363-Q387 HydrophobicContact CE1-CB 4.15Å; Y363-Q387 HydrophobicContact CE1-CG 4.16Å; Y363-L467 CarbonylContact O-C 3.58Å; Y363-L467 WeakPolarHBondContact O-CA 3.34Å; Y363-T468 PolarHBondContact N-O 2.82Å; Y363-T468 PolarHBondContact O-N 3.08Å; Y363-L471 HydrophobicContact CD1-CD1 3.96Å; Y363-L471 HydrophobicContact CD1-CG 4.07Å; Y363-L471 HydrophobicContact CD2-CD1 4.01Å; Y363-L471 HydrophobicContact CE1-CD1 3.61Å; Y363-L471 HydrophobicContact CE1-CG 4.18Å; Y363-L471 HydrophobicContact CE2-CD1 3.68Å; Y363-L471 HydrophobicContact CG-CD1 4.15Å; Y363-L471 HydrophobicContact CG-CG 4.24Å; Y363-L471 VanDerWaalsContact CZ-CD1 3.45Å
364	A	80.6	Confident	60.6	Low	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.8	176.9	0	0	0	0	0	111.8	F366 L382 I383 D385 Q386	A364-F366 PolarHBondContact O-N 3.45Å; A364-L382 HydrophobicContact CB-CB 3.73Å; A364-L382 HydrophobicContact CB-CD1 3.87Å; A364-L382 HydrophobicContact CB-CG 4.36Å; A364-I383 VanDerWaalsContact CB-O 3.31Å; A364-I383 WeakPolarHBondContact CB-O 3.4Å; A364-D385 PolarHBondContact O-N 3.02Å; A364-Q386 PolarHBondContact N-O 2.99Å; A364-Q386 VanDerWaalsContact N-O 3.09Å
365	A	76.4	Confident	60.9	Low	18 Å²	18	84.2 Å²	84.2	15%	0.149	43%	0.431	C	S	.	.	S	Bend	trans	-67.3	-20.5	-177.1	0	0	0	0	0	114.4	Y363 Y466 T468	Y363-A365 PolarHBondContact O-N 3.44Å; A365-Y466 WeakPolarHBondContact CB-O 3.2Å; A365-Y466 PolarHBondContact N-O 3.07Å; A365-T468 HydrophobicContact CB-CG2 3.8Å
366	F	73.7	Confident	61.5	Low	88 Å²	88	81.9 Å²	81.9	39%	0.386	42%	0.422	S	S	.	.	S	Bend	trans	-170.3	169.4	-177.3	49.5	-98.9	0	0	0	110.2	A364 I368 Y466	A364-F366 PolarHBondContact O-N 3.45Å; F366-I368 HydrophobicContact CD2-CG1 4.29Å; F366-I368 HydrophobicContact CE2-CG1 4.24Å; F366-I368 WeakPolarHBondContact O-CG1 3.43Å; F366-I368 PolarHBondContact O-N 3.35Å; F366-Y466 HydrophobicContact CE1-CD1 4.36Å; F366-Y466 HydrophobicContact CE2-CD1 4.2Å; F366-Y466 AromaticContact CZ-CD1 3.5Å; F366-Y466 HydrophobicContact CZ-CD1 3.5Å; F366-Y466 AromaticContact CZ-CE1 4Å; F366-Y466 HydrophobicContact CZ-CE1 4Å; F366-Y466 HydrophobicContact CZ-CG 4.13Å
367	N	74	Confident	62.1	Low	93 Å²	93	83.3 Å²	83.3	50%	0.497	43%	0.43	S	S	.	.			trans	-66.5	125.9	176.9	-66.2	-43	0	0	0	113	I383 E384	N367-I383 VanDerWaalsContact OD1-CA 3.27Å; N367-I383 WeakPolarHBondContact OD1-CA 3.45Å; N367-I383 WeakPolarHBondContact OD1-CG2 3.44Å; N367-E384 PolarHBondContact OD1-N 3.3Å
368	I	69.8	Low	63	Low	10 Å²	10	82.7 Å²	82.7	5%	0.051	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-115.2	120.5	-179.8	-41.3	178	0	0	0	109.5	F366 N381 L382 V462 Y466	F366-I368 HydrophobicContact CD2-CG1 4.29Å; F366-I368 HydrophobicContact CE2-CG1 4.24Å; F366-I368 WeakPolarHBondContact O-CG1 3.43Å; F366-I368 PolarHBondContact O-N 3.35Å; I368-N381 VanDerWaalsContact O-CA 3.23Å; I368-N381 WeakPolarHBondContact O-CA 3.42Å; I368-N381 WeakPolarHBondContact O-CB 3.12Å; I368-L382 HydrophobicContact CB-CB 4.39Å; I368-L382 HydrophobicContact CD1-CB 3.93Å; I368-L382 HydrophobicContact CD1-CD1 3.96Å; I368-L382 HydrophobicContact CD1-CG 4.32Å; I368-L382 HydrophobicContact CG1-CB 4.13Å; I368-L382 PolarHBondContact N-O 3.22Å; I368-L382 PolarHBondContact O-N 3.14Å; I368-L382 VanDerWaalsContact O-N 3.16Å; I368-V462 HydrophobicContact CD1-CG1 4.33Å; I368-Y466 HydrophobicContact CD1-CD2 3.7Å; I368-Y466 HydrophobicContact CD1-CG 3.98Å
369	N	67.9	Low	63.9	Low	97 Å²	97	82.3 Å²	82.3	52%	0.519	43%	0.425	S	S	.	.			trans	-124.9	117.2	-178.5	-81.3	-43.8	0	0	0	112.3	V371	N369-V371 PolarHBondContact O-N 2.57Å; N369-V371 VanDerWaalsContact O-N 3.16Å
370	K	58	Low	65	Low	93 Å²	93	76 Å²	76	40%	0.404	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-45.4	-41.3	172.8	-84.2	172.4	175.9	-65.6	0	113.4	K372 R373 P377 L379 N381	K370-K372 PolarHBondContact O-N 2.85Å; K370-R373 PolarHBondContact O-N 3.19Å; K370-P377 PolarHBondContact NZ-O 2.85Å; K370-L379 WeakPolarHBondContact CE-O 3.5Å; K370-L379 WeakPolarHBondContact CG-O 3.5Å; K370-L379 PolarHBondContact NZ-O 3.13Å; K370-N381 VanDerWaalsContact CB-OD1 3.27Å; K370-N381 WeakPolarHBondContact CB-OD1 3.43Å; K370-N381 WeakPolarHBondContact CG-OD1 3.32Å; K370-N381 PolarHBondContact N-OD1 2.8Å
371	V	53	Low	65.6	Low	136 Å²	136	77.5 Å²	77.5	82%	0.824	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.8	-18.4	-167.7	-174.1	0	0	0	0	114.2	N369	N369-V371 PolarHBondContact O-N 2.57Å; N369-V371 VanDerWaalsContact O-N 3.16Å
372	K	51.1	Low	65.8	Low	139 Å²	139	74.9 Å²	74.9	60%	0.604	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-99.4	13.2	178.8	-65.5	-168.5	174.4	-175.4	0	114.7	K370	K370-K372 PolarHBondContact O-N 2.85Å
373	R	46.5	Very low	65.6	Low	112 Å²	112	78.5 Å²	78.5	42%	0.423	40%	0.4	S	S	.	.			trans	-146.8	99.6	-173.7	-59.5	-178.3	-172.4	173.9	0	112	K370 Y466	K370-R373 PolarHBondContact O-N 3.19Å; R373-Y466 PolarHBondContact NH1-OH 2.72Å
374	E	47.6	Very low	65.3	Low	188 Å²	188	79 Å²	79	88%	0.879	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-32.9	-173.8	-59.9	-175.7	145.7	0	0	113.3	S376	E374-S376 PolarHBondContact O-N 2.83Å
375	N	46.6	Very low	65.1	Low	161 Å²	161	80.1 Å²	80.1	86%	0.861	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	25	-167.2	-64.8	-8.3	0	0	0	115.5
376	S	52.3	Low	65.4	Low	39 Å²	39	80.1 Å²	80.1	27%	0.273	41%	0.407	S	S	.	.			trans	-150.6	74.5	178.8	65.2	0	0	0	0	113.4	E374 E378 L379	E374-S376 PolarHBondContact O-N 2.83Å; S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 PolarHBondContact O-N 3Å; S376-L379 PolarHBondContact O-N 2.91Å
377	P	52.7	Low	65.8	Low	112 Å²	112	78.1 Å²	78.1	73%	0.727	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	-172.9	24.1	-34.1	0	0	0	114.3	K370 L379	K370-P377 PolarHBondContact NZ-O 2.85Å; P377-L379 PolarHBondContact O-N 2.71Å
378	E	65.8	Low	66.3	Low	113 Å²	113	73.7 Å²	73.7	53%	0.528	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.9	-176.9	-56.6	-172.4	143.2	0	0	114.6	S376 R461	S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 PolarHBondContact O-N 3Å; E378-R461 HydrophobicContact CB-CB 4.38Å; E378-R461 PolarHBondContact O-N 3.21Å; E378-R461 IonicContact OE1-NH1 2.95Å; E378-R461 PolarHBondContact OE1-NH1 3.25Å; E378-R461 WeakPolarHBondContact OE2-CD 3.46Å; E378-R461 IonicContact OE2-CZ 3.68Å; E378-R461 IonicContact OE2-NE 3.83Å; E378-R461 IonicContact OE2-NH1 2.75Å; E378-R461 PolarHBondContact OE2-NH1 2.8Å
379	L	70.5	Confident	66.9	Low	23 Å²	23	74.7 Å²	74.7	12%	0.12	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-73.8	131.7	-173.1	-71.6	-176	0	0	0	112.2	K370 S376 P377 R461	K370-L379 WeakPolarHBondContact CE-O 3.5Å; K370-L379 WeakPolarHBondContact CG-O 3.5Å; K370-L379 PolarHBondContact NZ-O 3.13Å; S376-L379 PolarHBondContact O-N 2.91Å; P377-L379 PolarHBondContact O-N 2.71Å; L379-R461 CarbonylContact C-O 3.56Å; L379-R461 VanDerWaalsContact CA-O 3.27Å; L379-R461 WeakPolarHBondContact CA-O 3.33Å; L379-R461 HydrophobicContact CD2-CB 4.17Å; L379-R461 WeakPolarHBondContact CD2-O 3.3Å
380	V	75.7	Confident	67.4	Low	26 Å²	26	71.4 Å²	71.4	16%	0.158	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-90.7	159.9	-176.3	-143.9	0	0	0	0	113.2	I403 G460 R461 V462	V380-I403 HydrophobicContact CB-CD1 3.49Å; V380-I403 VanDerWaalsContact CB-CD1 3.49Å; V380-I403 HydrophobicContact CG1-CD1 3.5Å; V380-I403 VanDerWaalsContact CG1-CD1 3.5Å; V380-I403 HydrophobicContact CG2-CD1 3.81Å; V380-G460 VanDerWaalsContact CG2-C 3.48Å; V380-G460 VanDerWaalsContact CG2-CA 3.45Å; V380-R461 PolarHBondContact N-O 2.9Å; V380-V462 HydrophobicContact CB-CG2 4.49Å; V380-V462 HydrophobicContact CG2-CG2 4.35Å
381	N	76.3	Confident	68.4	Low	67 Å²	67	70.2 Å²	70.2	36%	0.358	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-75.4	144.9	167.1	-68.5	1.8	0	0	0	110.5	I368 K370	I368-N381 VanDerWaalsContact O-CA 3.23Å; I368-N381 WeakPolarHBondContact O-CA 3.42Å; I368-N381 WeakPolarHBondContact O-CB 3.12Å; K370-N381 VanDerWaalsContact CB-OD1 3.27Å; K370-N381 WeakPolarHBondContact CB-OD1 3.43Å; K370-N381 WeakPolarHBondContact CG-OD1 3.32Å; K370-N381 PolarHBondContact N-OD1 2.8Å
382	L	79.8	Confident	69.4	Low	2 Å²	2	66.4 Å²	66.4	1%	0.01	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-139.5	151.2	167.5	-71.6	175.7	0	0	0	109.9	A364 I368 Q386 V388 I403 V462 L467	A364-L382 HydrophobicContact CB-CB 3.73Å; A364-L382 HydrophobicContact CB-CD1 3.87Å; A364-L382 HydrophobicContact CB-CG 4.36Å; I368-L382 HydrophobicContact CB-CB 4.39Å; I368-L382 HydrophobicContact CD1-CB 3.93Å; I368-L382 HydrophobicContact CD1-CD1 3.96Å; I368-L382 HydrophobicContact CD1-CG 4.32Å; I368-L382 HydrophobicContact CG1-CB 4.13Å; I368-L382 PolarHBondContact N-O 3.22Å; I368-L382 PolarHBondContact O-N 3.14Å; I368-L382 VanDerWaalsContact O-N 3.16Å; L382-Q386 HydrophobicContact CD2-CB 4.39Å; L382-Q386 HydrophobicContact CD2-CG 4.12Å; L382-V388 HydrophobicContact CD1-CG1 3.86Å; L382-V388 HydrophobicContact CD2-CG1 3.55Å; L382-V388 HydrophobicContact CG-CG1 4.4Å; L382-I403 HydrophobicContact CD2-CB 4.39Å; L382-I403 HydrophobicContact CD2-CD1 3.74Å; L382-I403 HydrophobicContact CD2-CG1 3.92Å; L382-I403 HydrophobicContact CD2-CG2 3.64Å; L382-I403 HydrophobicContact CG-CD1 4.4Å; L382-V462 HydrophobicContact CD1-CG1 3.9Å; L382-V462 HydrophobicContact CD1-CG2 3.98Å; L382-L467 HydrophobicContact CD1-CD2 3.93Å
383	I	77	Confident	70.3	Confident	87 Å²	87	59.9 Å²	59.9	45%	0.446	31%	0.31	S	S	.	.			trans	-100.5	148.4	170.7	-66.6	175.5	0	0	0	108.9	A364 N367 D385 Q386 V406	A364-I383 VanDerWaalsContact CB-O 3.31Å; A364-I383 WeakPolarHBondContact CB-O 3.4Å; N367-I383 VanDerWaalsContact OD1-CA 3.27Å; N367-I383 WeakPolarHBondContact OD1-CA 3.45Å; N367-I383 WeakPolarHBondContact OD1-CG2 3.44Å; I383-D385 PolarHBondContact O-N 2.92Å; I383-Q386 HydrophobicContact CB-CB 4.37Å; I383-Q386 WeakPolarHBondContact O-CB 3.49Å; I383-Q386 PolarHBondContact O-N 2.71Å; I383-V406 HydrophobicContact CD1-CG1 4.46Å; I383-V406 HydrophobicContact CD1-CG2 4.02Å
384	E	76.2	Confident	71.5	Confident	54 Å²	54	60.6 Å²	60.6	25%	0.252	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	133.9	174.2	-170.6	176.6	158.4	0	0	110.5	N367 Q386 K472 R476	N367-E384 PolarHBondContact OD1-N 3.3Å; E384-Q386 PolarHBondContact O-N 3.32Å; E384-K472 HydrophobicContact CG-CB 4.22Å; E384-K472 WeakPolarHBondContact OE1-CB 3.28Å; E384-R476 IonicContact OE1-CZ 2.63Å; E384-R476 IonicContact OE1-NE 3.53Å; E384-R476 IonicContact OE1-NH2 2.66Å; E384-R476 PolarHBondContact OE1-NH2 3.11Å; E384-R476 IonicContact OE2-NH2 2.64Å
385	D	76.9	Confident	72.7	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.128	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	9.6	-171.6	-65.9	-23	0	0	0	116.7	A364 I383 Q387 L471 K472 S473	A364-D385 PolarHBondContact O-N 3.02Å; I383-D385 PolarHBondContact O-N 2.92Å; D385-Q387 PolarHBondContact O-N 2.92Å; D385-L471 HydrophobicContact CB-CD2 3.99Å; D385-L471 HydrophobicContact CB-CG 4.18Å; D385-L471 VanDerWaalsContact OD1-CA 3.25Å; D385-L471 WeakPolarHBondContact OD1-CA 3.46Å; D385-K472 PolarHBondContact OD1-N 3.03Å; D385-S473 WeakPolarHBondContact OD2-CB 3.39Å; D385-S473 PolarHBondContact OD2-N 3.49Å; D385-S473 PolarHBondContact OD2-OG 2.78Å
386	Q	81.5	Confident	73.5	Confident	19 Å²	19	50.6 Å²	50.6	9%	0.089	28%	0.279	C	S	.	.			trans	-67.4	127.7	170.5	-175.2	170	9.6	0	0	111.1	Y363 A364 L382 I383 E384 I403 H404 V406	Y363-Q386 WeakPolarHBondContact CA-O 3.5Å; A364-Q386 PolarHBondContact N-O 2.99Å; A364-Q386 VanDerWaalsContact N-O 3.09Å; L382-Q386 HydrophobicContact CD2-CB 4.39Å; L382-Q386 HydrophobicContact CD2-CG 4.12Å; I383-Q386 HydrophobicContact CB-CB 4.37Å; I383-Q386 WeakPolarHBondContact O-CB 3.49Å; I383-Q386 PolarHBondContact O-N 2.71Å; E384-Q386 PolarHBondContact O-N 3.32Å; Q386-I403 HydrophobicContact CG-CG2 4.36Å; Q386-H404 PolarHBondContact NE2-O 3.41Å; Q386-V406 HydrophobicContact CG-CG2 4.34Å
387	Q	82.9	Confident	74.3	Confident	45 Å²	45	53.2 Å²	53.2	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.4	-179.2	-169.8	-176.3	4.5	0	0	112.2	V361 Y363 D385 H404	V361-Q387 HydrophobicContact CG1-CG 3.54Å; V361-Q387 VanDerWaalsContact CG1-NE2 3.32Å; Y363-Q387 HydrophobicContact CD1-CB 4.28Å; Y363-Q387 HydrophobicContact CE1-CB 4.15Å; Y363-Q387 HydrophobicContact CE1-CG 4.16Å; D385-Q387 PolarHBondContact O-N 2.92Å; Q387-H404 HydrophobicContact CB-CB 4.22Å; Q387-H404 PolarHBondContact O-N 2.56Å; Q387-H404 VanDerWaalsContact O-N 3.08Å
388	V	84.2	Confident	75.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.9	170.2	-55.2	0	0	0	0	110.4	H362 L382 V401 R402 I403 L467	H362-V388 HydrophobicContact CB-CG2 3.86Å; H362-V388 PolarHBondContact N-O 3.24Å; H362-V388 PolarHBondContact O-N 3.13Å; L382-V388 HydrophobicContact CD1-CG1 3.86Å; L382-V388 HydrophobicContact CD2-CG1 3.55Å; L382-V388 HydrophobicContact CG-CG1 4.4Å; V388-V401 HydrophobicContact CB-CB 4.16Å; V388-V401 HydrophobicContact CB-CG2 4.36Å; V388-V401 HydrophobicContact CG1-CG2 4.4Å; V388-V401 HydrophobicContact CG2-CB 4.49Å; V388-V401 HydrophobicContact CG2-CG1 4.39Å; V388-R402 WeakPolarHBondContact CA-O 3.32Å; V388-I403 HydrophobicContact CG1-CG1 4.12Å; V388-L467 HydrophobicContact CG2-CD1 3.84Å; V388-L467 HydrophobicContact CG2-CD2 3.62Å; V388-L467 HydrophobicContact CG2-CG 4.34Å
389	T	81.7	Confident	76	Confident	32 Å²	32	45.4 Å²	45.4	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.8	169	45.1	0	0	0	0	109.1	V401 R402 H404	T389-V401 WeakPolarHBondContact O-CA 3.48Å; T389-R402 PolarHBondContact N-O 3.24Å; T389-R402 PolarHBondContact O-N 2.78Å; T389-H404 VanDerWaalsContact CG2-NE2 3.33Å; T389-H404 WeakPolarHBondContact CG2-NE2 3.15Å; T389-H404 PolarHBondContact OG1-NE2 3.13Å
390	C	79.8	Confident	76.5	Confident	27 Å²	27	45.5 Å²	45.5	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	140	172.3	-170.1	0	0	0	0	110.2
391	L	78.1	Confident	76.8	Confident	68 Å²	68	44.3 Å²	44.3	36%	0.356	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-35.8	167.3	-63.7	-176	0	0	0	111.5	V400 R402 I459	L391-V400 HydrophobicContact CB-CG1 4.49Å; L391-V400 PolarHBondContact N-O 3.41Å; L391-R402 HydrophobicContact CD1-CB 3.95Å; L391-R402 HydrophobicContact CD2-CB 4.09Å; L391-R402 HydrophobicContact CG-CB 3.96Å; L391-I459 HydrophobicContact CD1-CB 4.5Å; L391-I459 HydrophobicContact CD1-CD1 3.66Å; L391-I459 HydrophobicContact CD1-CG1 3.82Å; L391-I459 HydrophobicContact CD1-CG2 3.86Å
392	D	74.5	Confident	77	Confident	56 Å²	56	45.8 Å²	45.8	30%	0.299	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	133.5	177.9	149.2	27.6	0	0	0	108	D394 V400	D392-D394 WeakPolarHBondContact OD1-CB 3.09Å; D392-D394 PolarHBondContact OD1-N 2.89Å; D392-V400 HydrophobicContact CB-CB 4.05Å; D392-V400 HydrophobicContact CB-CG2 4.31Å; D392-V400 PolarHBondContact N-O 3Å; D392-V400 PolarHBondContact O-N 2.98Å; D392-V400 WeakPolarHBondContact OD2-CG2 3.46Å
393	A	70.2	Confident	76.9	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.017	24%	0.241	C	C	.	.			trans	-131	21.2	-179.8	0	0	0	0	0	112.5	R353 L358 N395 W399	R353-A393 PolarHBondContact NH1-O 3.28Å; L358-A393 HydrophobicContact CD1-CB 3.45Å; L358-A393 VanDerWaalsContact CD1-CB 3.45Å; A393-N395 PolarHBondContact O-N 3.45Å; A393-W399 HydrophobicContact CB-CD2 4.17Å; A393-W399 HydrophobicContact CB-CG 4.07Å
394	D	72	Confident	77	Confident	127 Å²	127	44.6 Å²	44.6	68%	0.679	23%	0.231	S	C	*	.	S	Bend	trans	-64.3	-23.7	179.5	-69.9	0.1	0	0	0	111.2	D392 P396	D392-D394 WeakPolarHBondContact OD1-CB 3.09Å; D392-D394 PolarHBondContact OD1-N 2.89Å; D394-P396 WeakPolarHBondContact O-CD 3.22Å
395	N	72.3	Confident	76.8	Confident	69 Å²	69	46.4 Å²	46.4	37%	0.369	25%	0.248	S	C	.	.	S	Bend	trans	-98.2	111	167.8	-172	-42.4	0	0	0	111.1	A393 D397 N398	A393-N395 PolarHBondContact O-N 3.45Å; N395-D397 VanDerWaalsContact C-N 3.29Å; N395-D397 PolarHBondContact O-N 3.47Å; N395-D397 PolarHBondContact OD1-N 2.89Å; N395-N398 PolarHBondContact O-N 3.18Å; N395-N398 PolarHBondContact OD1-N 3.46Å; N395-N398 VanDerWaalsContact OD1-N 3.16Å
396	P	63.9	Low	76	Confident	70 Å²	70	48.1 Å²	48.1	46%	0.455	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.9	175.8	-27.4	34.7	0	0	0	115.5	D394 A464	D394-P396 WeakPolarHBondContact O-CD 3.22Å; P396-A464 WeakPolarHBondContact O-CB 3.26Å
397	D	67.4	Low	74.5	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-20	-172.1	-86.7	-48.1	0	0	0	113.8	N395 K463	N395-D397 VanDerWaalsContact C-N 3.29Å; N395-D397 PolarHBondContact O-N 3.47Å; N395-D397 PolarHBondContact OD1-N 2.89Å; D397-K463 VanDerWaalsContact O-CA 3.22Å; D397-K463 WeakPolarHBondContact O-CA 3.29Å; D397-K463 WeakPolarHBondContact O-CB 3.5Å; D397-K463 VanDerWaalsContact O-CD 3.31Å; D397-K463 WeakPolarHBondContact O-CD 3.48Å; D397-K463 WeakPolarHBondContact O-CG 3.46Å; D397-K463 IonicContact OD1-NZ 3.8Å
398	N	75.2	Confident	72.5	Confident	39 Å²	39	57 Å²	57	21%	0.209	30%	0.303	C	S	.	.	S	Bend	trans	-147.6	79.1	-172.7	-60.8	-68.3	0	0	0	111	N395 R461 V462	N395-N398 PolarHBondContact O-N 3.18Å; N395-N398 PolarHBondContact OD1-N 3.46Å; N395-N398 VanDerWaalsContact OD1-N 3.16Å; N398-R461 HydrophobicContact CB-CB 4.4Å; N398-V462 CarbonylContact C-O 3.59Å
399	W	80.3	Confident	70.2	Confident	22 Å²	22	63.9 Å²	63.9	8%	0.083	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.2	173.2	-67.9	2.3	0	0	0	110.8	L358 H362 A393 V401 R461 V462 A464 L467	L358-W399 HydrophobicContact CD1-CZ2 4.36Å; L358-W399 HydrophobicContact CD2-CH2 3.97Å; L358-W399 HydrophobicContact CD2-CZ2 4.12Å; H362-W399 AromaticContact CE1-CZ3 3.94Å; A393-W399 HydrophobicContact CB-CD2 4.17Å; A393-W399 HydrophobicContact CB-CG 4.07Å; W399-V401 HydrophobicContact CB-CG1 4.04Å; W399-V401 PolarHBondContact O-N 3.14Å; W399-R461 CarbonylContact O-C 3.56Å; W399-R461 VanDerWaalsContact O-CA 3.3Å; W399-R461 WeakPolarHBondContact O-CA 3.45Å; W399-V462 PolarHBondContact N-O 3.35Å; W399-V462 PolarHBondContact O-N 3.06Å; W399-A464 HydrophobicContact CD2-CB 4.03Å; W399-A464 HydrophobicContact CG-CB 4.33Å; W399-A464 HydrophobicContact CZ2-CB 3.94Å; W399-L467 HydrophobicContact CE3-CD1 3.88Å; W399-L467 HydrophobicContact CZ3-CD1 4.26Å
400	V	80.8	Confident	67.9	Low	26 Å²	26	67.2 Å²	67.2	16%	0.158	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.4	165.2	-176.8	0	0	0	0	107.4	L391 D392 I459 R461	L391-V400 HydrophobicContact CB-CG1 4.49Å; L391-V400 PolarHBondContact N-O 3.41Å; D392-V400 HydrophobicContact CB-CB 4.05Å; D392-V400 HydrophobicContact CB-CG2 4.31Å; D392-V400 PolarHBondContact N-O 3Å; D392-V400 PolarHBondContact O-N 2.98Å; D392-V400 WeakPolarHBondContact OD2-CG2 3.46Å; V400-I459 HydrophobicContact CG1-CG2 3.62Å; V400-R461 HydrophobicContact CG2-CG 3.99Å
401	V	81.9	Confident	65.8	Low	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143	-178.8	-61.8	0	0	0	0	111.3	V388 T389 W399 I403 I459 G460 V462 L467	V388-V401 HydrophobicContact CB-CB 4.16Å; V388-V401 HydrophobicContact CB-CG2 4.36Å; V388-V401 HydrophobicContact CG1-CG2 4.4Å; V388-V401 HydrophobicContact CG2-CB 4.49Å; V388-V401 HydrophobicContact CG2-CG1 4.39Å; T389-V401 WeakPolarHBondContact O-CA 3.48Å; W399-V401 HydrophobicContact CB-CG1 4.04Å; W399-V401 PolarHBondContact O-N 3.14Å; V401-I403 HydrophobicContact CG2-CG1 4.07Å; V401-I459 WeakPolarHBondContact O-CA 3.38Å; V401-G460 PolarHBondContact N-O 2.85Å; V401-G460 PolarHBondContact O-N 3.4Å; V401-G460 VanDerWaalsContact O-N 3.1Å; V401-V462 HydrophobicContact CG2-CB 3.87Å; V401-V462 HydrophobicContact CG2-CG2 3.49Å; V401-V462 VanDerWaalsContact CG2-CG2 3.49Å; V401-L467 HydrophobicContact CG1-CD1 4.12Å
402	R	80.2	Confident	63.6	Low	99 Å²	99	71 Å²	71	37%	0.374	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.4	161.6	-175.5	-179.3	-65	156.6	2.8	107.5	V388 T389 L391 I459	V388-R402 WeakPolarHBondContact CA-O 3.32Å; T389-R402 PolarHBondContact N-O 3.24Å; T389-R402 PolarHBondContact O-N 2.78Å; L391-R402 HydrophobicContact CD1-CB 3.95Å; L391-R402 HydrophobicContact CD2-CB 4.09Å; L391-R402 HydrophobicContact CG-CB 3.96Å; R402-I459 HydrophobicContact CB-CG1 4.39Å; R402-I459 HydrophobicContact CG-CG1 4.39Å
403	I	78.8	Confident	61.5	Low	12 Å²	12	73.6 Å²	73.6	6%	0.062	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.1	176.5	-57.1	178.5	0	0	0	107.4	V380 L382 Q386 V388 V401 K458	V380-I403 HydrophobicContact CB-CD1 3.49Å; V380-I403 VanDerWaalsContact CB-CD1 3.49Å; V380-I403 HydrophobicContact CG1-CD1 3.5Å; V380-I403 VanDerWaalsContact CG1-CD1 3.5Å; V380-I403 HydrophobicContact CG2-CD1 3.81Å; L382-I403 HydrophobicContact CD2-CB 4.39Å; L382-I403 HydrophobicContact CD2-CD1 3.74Å; L382-I403 HydrophobicContact CD2-CG1 3.92Å; L382-I403 HydrophobicContact CD2-CG2 3.64Å; L382-I403 HydrophobicContact CG-CD1 4.4Å; Q386-I403 HydrophobicContact CG-CG2 4.36Å; V388-I403 HydrophobicContact CG1-CG1 4.12Å; V401-I403 HydrophobicContact CG2-CG1 4.07Å; I403-K458 WeakPolarHBondContact CB-O 3.46Å; I403-K458 PolarHBondContact N-O 3.11Å
404	H	79.3	Confident	59.9	Low	51 Å²	51	80.7 Å²	80.7	24%	0.236	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-77.1	153.3	172.1	-65.3	-91.2	0	0	0	108.9	Q386 Q387 T389 V406	Q386-H404 PolarHBondContact NE2-O 3.41Å; Q387-H404 HydrophobicContact CB-CB 4.22Å; Q387-H404 PolarHBondContact O-N 2.56Å; Q387-H404 VanDerWaalsContact O-N 3.08Å; T389-H404 VanDerWaalsContact CG2-NE2 3.33Å; T389-H404 WeakPolarHBondContact CG2-NE2 3.15Å; T389-H404 PolarHBondContact OG1-NE2 3.13Å; H404-V406 PolarHBondContact O-N 2.61Å
405	P	70.6	Confident	58.1	Low	93 Å²	93	81.6 Å²	81.6	60%	0.604	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-48.1	138.8	169.4	-26.2	35.1	0	0	0	110	L407	P405-L407 PolarHBondContact O-N 2.89Å
406	V	61.6	Low	56.1	Low	59 Å²	59	84.9 Å²	84.9	36%	0.358	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-53	127.6	172.9	-175.5	0	0	0	0	107	I383 Q386 H404 Q408	I383-V406 HydrophobicContact CD1-CG1 4.46Å; I383-V406 HydrophobicContact CD1-CG2 4.02Å; Q386-V406 HydrophobicContact CG-CG2 4.34Å; H404-V406 PolarHBondContact O-N 2.61Å; V406-Q408 VanDerWaalsContact C-N 3.26Å; V406-Q408 PolarHBondContact O-N 2.83Å
407	L	48.7	Very low	54.6	Low	86 Å²	86	88.7 Å²	88.7	45%	0.45	45%	0.45	S	S	.	.			trans	-63	93.5	171.3	-68.8	173.9	0	0	0	107.5	P405 H409	P405-L407 PolarHBondContact O-N 2.89Å; L407-H409 PolarHBondContact O-N 3.14Å
408	Q	40.5	Very low	53	Low	165 Å²	165	92.4 Å²	92.4	77%	0.771	46%	0.461	S	S	*	.			trans	-68.2	81.8	-175.5	-79.6	-166.5	-10.2	0	0	110.2	V406	V406-Q408 VanDerWaalsContact C-N 3.26Å; V406-Q408 PolarHBondContact O-N 2.83Å
409	H	36.6	Very low	50.9	Low	144 Å²	144	98.3 Å²	98.3	67%	0.667	49%	0.485	S	S	*	.			trans	55.1	120.3	-168.3	-61	-88	0	0	0	114.3	L407 N411 S412	L407-H409 PolarHBondContact O-N 3.14Å; H409-N411 HydrophobicContact CB-CB 4.09Å; H409-N411 PolarHBondContact O-N 2.86Å; H409-S412 VanDerWaalsContact O-CB 3.26Å; H409-S412 WeakPolarHBondContact O-CB 3.49Å; H409-S412 PolarHBondContact O-N 2.99Å
410	V	32.5	Very low	48.4	Very low	103 Å²	103	103.9 Å²	103.9	62%	0.624	52%	0.516	S	S	*	.	H	α-helix	trans	-54.5	-22.1	165.5	178.5	0	0	0	0	111.6	S412 L413	V410-S412 PolarHBondContact O-N 2.84Å; V410-S412 VanDerWaalsContact O-N 3.07Å; V410-L413 PolarHBondContact O-N 2.85Å
411	N	35.8	Very low	45.8	Very low	121 Å²	121	110.3 Å²	110.3	65%	0.647	55%	0.55	S	S	*	*	H	α-helix	trans	-62.7	-5.7	169.6	-54.2	-4.6	0	0	0	114.8	H409	H409-N411 HydrophobicContact CB-CB 4.09Å; H409-N411 PolarHBondContact O-N 2.86Å
412	S	33.2	Very low	43.2	Very low	53 Å²	53	116.5 Å²	116.5	37%	0.371	59%	0.588	S	S	.	*	H	α-helix	trans	-100.5	-31.8	-179.2	-160.2	0	0	0	0	113.6	H409 V410 H414 K415 Q416	H409-S412 VanDerWaalsContact O-CB 3.26Å; H409-S412 WeakPolarHBondContact O-CB 3.49Å; H409-S412 PolarHBondContact O-N 2.99Å; V410-S412 PolarHBondContact O-N 2.84Å; V410-S412 VanDerWaalsContact O-N 3.07Å; S412-H414 PolarHBondContact O-N 2.75Å; S412-H414 VanDerWaalsContact O-N 3.13Å; S412-K415 WeakPolarHBondContact O-CA 3.12Å; S412-K415 WeakPolarHBondContact O-CB 3.23Å; S412-K415 PolarHBondContact O-N 3.26Å; S412-Q416 PolarHBondContact O-N 2.94Å
413	L	29.2	Very low	40.7	Very low	110 Å²	110	120.6 Å²	120.6	58%	0.576	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-23.1	175.3	-99.7	160.9	0	0	0	112.5	V410 K415	V410-L413 PolarHBondContact O-N 2.85Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.87Å
414	H	37.9	Very low	38.3	Very low	151 Å²	151	124.6 Å²	124.6	70%	0.699	64%	0.64	S	S	*	*	H	α-helix	trans	-82.4	4.5	172.4	-145.4	72.1	0	0	0	114.5	S412	S412-H414 PolarHBondContact O-N 2.75Å; S412-H414 VanDerWaalsContact O-N 3.13Å
415	K	34.2	Very low	35.8	Very low	146 Å²	146	129.1 Å²	129.1	64%	0.635	67%	0.666	S	S	*	*	H	α-helix	trans	-116.8	-32.9	179	-75.8	173.3	178	159.1	0	114.2	S412 L413 K418	S412-K415 WeakPolarHBondContact O-CA 3.12Å; S412-K415 WeakPolarHBondContact O-CB 3.23Å; S412-K415 PolarHBondContact O-N 3.26Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.87Å; K415-K418 PolarHBondContact O-N 3.01Å
416	Q	29.3	Very low	33.6	Very low	139 Å²	139	130 Å²	130	65%	0.65	68%	0.675	S	S	*	*	H	α-helix	trans	-68.7	-35.9	-179.5	-116.6	166.9	-28.3	0	0	112.6	S412 K418 K419	S412-Q416 PolarHBondContact O-N 2.94Å; Q416-K418 PolarHBondContact O-N 3.41Å; Q416-K419 PolarHBondContact O-N 2.91Å
417	I	33.6	Very low	32.1	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-6.3	171.5	-59.4	171.9	0	0	0	112.4
418	K	32.3	Very low	31	Very low	172 Å²	172	139.6 Å²	139.6	75%	0.748	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	21.4	177.3	-81.1	-174.1	171.5	177.5	0	114.3	K415 Q416	K415-K418 PolarHBondContact O-N 3.01Å; Q416-K418 PolarHBondContact O-N 3.41Å
419	K	32.5	Very low	30.3	Very low	162 Å²	162	138.9 Å²	138.9	70%	0.704	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.8	-33.4	175.7	-137.8	-171.8	178.1	-160.6	0	116.4	Q416 N421	Q416-K419 PolarHBondContact O-N 2.91Å; K419-N421 PolarHBondContact O-N 2.92Å
420	D	26.6	Very low	29.8	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	72%	0.721	S	S	*	*	S	Bend	trans	-102.3	65.1	-176.1	-56.7	-29.3	0	0	0	110.9
421	N	27.5	Very low	29.3	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	73%	0.731	S	S	*	*			trans	-161.3	54.1	166.2	-110.6	-18.6	0	0	0	111.8	K419	K419-N421 PolarHBondContact O-N 2.92Å
422	T	26.7	Very low	28.8	Very low	129 Å²	129	143 Å²	143	79%	0.791	74%	0.74	S	S	*	*			trans	-131.5	71.8	168.2	51.5	0	0	0	0	110.5
423	Q	27.5	Very low	28.5	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	76%	0.756	S	S	*	*			trans	-157.3	134.1	161.6	-127.3	162.5	-18.4	0	0	113.7
424	S	28.3	Very low	28.3	Very low	96 Å²	96	151.2 Å²	151.2	67%	0.671	77%	0.766	S	S	*	*			trans	52.4	91.4	160	51.4	0	0	0	0	118.9
425	D	27	Very low	27.5	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	77%	0.772	S	S	*	*				48.8	98.4	109.5	-49.6	-15.5	0	0	0	119.1	Q427	D425-Q427 PolarHBondContact O-N 2.9Å
426	S	24.8	Very low	27.1	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	78%	0.78	S	S	*	*				14.8	105.5	129.9	58.7	0	0	0	0	118.1
427	Q	29.9	Very low	26.9	Very low	194 Å²	194	152.4 Å²	152.4	91%	0.907	79%	0.786	S	S	*	*			trans	-125.7	135.3	142.1	-70.1	-163.7	-8.9	0	0	109.8	D425	D425-Q427 PolarHBondContact O-N 2.9Å
428	I	24.4	Very low	26.4	Very low	152 Å²	152	153.6 Å²	153.6	78%	0.779	79%	0.792	S	S	*	*			trans	-83.3	141.3	-178.7	-61.8	156.4	0	0	0	108.6
429	I	26	Very low	26	Very low	150 Å²	150	151.1 Å²	151.1	77%	0.769	79%	0.792	S	S	*	*			trans	-170.5	121	138.1	-96.5	148.2	0	0	0	109.3
430	D	26.4	Very low	25.6	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	80%	0.798	S	S	*	*			trans	40.9	148.9	148.8	-50.5	-17.9	0	0	0	123.6
431	E	23.1	Very low	25.6	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	81%	0.806	S	S	*	*			trans	-84.8	176.8	178.8	-55	170.8	121	0	0	112.2
432	T	23.8	Very low	25.4	Very low	133 Å²	133	149.9 Å²	149.9	82%	0.816	80%	0.8	S	S	*	*			trans	67.8	133.5	178.9	69	0	0	0	0	113.9
433	D	26.9	Very low	25.4	Very low	133 Å²	133	149.1 Å²	149.1	71%	0.711	80%	0.795	S	S	*	*			cis	-158.2	163.2	34.7	-135.3	-11.5	0	0	0	114.1
434	Y	26.3	Very low	25.4	Very low	201 Å²	201	145.6 Å²	145.6	79%	0.788	79%	0.791	S	S	*	*			trans	51.2	117.7	165	-83.1	-90.6	0	0	0	123
435	M	20.9	Very low	25.4	Very low	170 Å²	170	149.1 Å²	149.1	84%	0.837	80%	0.803	S	S	*	*			trans	-67.9	131.8	149.1	-59.1	-134.9	-65.2	0	0	111.3
436	N	24.4	Very low	25.7	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	79%	0.791	S	S	*	*				-174.4	170.8	128.8	-103.7	-11.1	0	0	0	113.8
437	D	25.5	Very low	26.3	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	79%	0.79	S	S	*	*			trans	68.4	102.6	163.9	-63.2	-9.2	0	0	0	119.6	V439	D437-V439 PolarHBondContact O-N 3.17Å
438	L	22.6	Very low	26.4	Very low	174 Å²	174	147.5 Å²	147.5	91%	0.911	79%	0.787	S	S	*	*			trans	-58.4	113.9	149.6	-77	65.4	0	0	0	110.1
439	V	25	Very low	26.8	Very low	121 Å²	121	147 Å²	147	73%	0.733	78%	0.784	S	S	*	*			trans	-142.3	130.2	144.1	173.5	0	0	0	0	110	D437	D437-V439 PolarHBondContact O-N 3.17Å
440	E	24.3	Very low	27.3	Very low	178 Å²	178	142.6 Å²	142.6	83%	0.832	77%	0.767	S	S	*	*			trans	13.1	104	158.9	-56.3	-177.3	136.2	0	0	118.8	S442	E440-S442 VanDerWaalsContact C-N 3.34Å; E440-S442 PolarHBondContact O-N 2.83Å
441	V	25.6	Very low	27.8	Very low	152 Å²	152	145.6 Å²	145.6	92%	0.921	77%	0.768	S	S	*	*			trans	-72	86.6	167.8	-178.5	0	0	0	0	110.4	V443	V441-V443 PolarHBondContact O-N 2.83Å
442	S	24	Very low	28.4	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	76%	0.757	S	S	*	*			trans	-75.1	104.5	175.2	63.6	0	0	0	0	112.1	E440	E440-S442 VanDerWaalsContact C-N 3.34Å; E440-S442 PolarHBondContact O-N 2.83Å
443	V	27.5	Very low	28.8	Very low	114 Å²	114	138.3 Å²	138.3	69%	0.691	75%	0.745	S	S	*	*			trans	3.8	112.1	158.9	-175.8	0	0	0	0	117.3	V441	V441-V443 PolarHBondContact O-N 2.83Å
444	S	27.3	Very low	29.3	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	75%	0.748	S	S	*	*			trans	-167.2	87.2	147.8	-83.7	0	0	0	0	113.4
445	N	27.8	Very low	29.9	Very low	171 Å²	171	138.4 Å²	138.4	91%	0.914	75%	0.749	S	S	*	*	S	Bend	trans	178.7	18.8	149.4	-97.1	-14.6	0	0	0	114.1	Q447	N445-Q447 PolarHBondContact O-N 2.91Å
446	S	33.7	Very low	31	Very low	78 Å²	78	136.2 Å²	136.2	55%	0.545	74%	0.739	S	S	.	*			trans	-87.8	15.8	-171.7	55.5	0	0	0	0	115.6	S450	S446-S450 VanDerWaalsContact O-CB 3.31Å; S446-S450 WeakPolarHBondContact O-CB 3.36Å; S446-S450 PolarHBondContact O-N 2.82Å; S446-S450 PolarHBondContact O-OG 2.93Å
447	Q	36.2	Very low	32.2	Very low	162 Å²	162	136 Å²	136	76%	0.757	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-20	-163.2	-146.9	169.8	24.4	0	0	115.6	N445 S450	N445-Q447 PolarHBondContact O-N 2.91Å; Q447-S450 PolarHBondContact O-OG 3.32Å; Q447-S450 VanDerWaalsContact O-OG 3.12Å
448	E	33.5	Very low	34.1	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-39.8	172.6	-64.9	-161	121.7	0	0	113	S450 R451	E448-S450 PolarHBondContact O-N 2.9Å; E448-R451 PolarHBondContact O-N 3.27Å
449	L	32.4	Very low	36.5	Very low	140 Å²	140	131.6 Å²	131.6	73%	0.733	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-63.2	-28.6	174.5	-91.3	166.9	0	0	0	113.3	R451 A452	L449-R451 VanDerWaalsContact C-N 3.32Å; L449-R451 PolarHBondContact O-N 2.72Å; L449-A452 PolarHBondContact O-N 2.61Å
450	S	36.1	Very low	39.1	Very low	59 Å²	59	126.6 Å²	126.6	41%	0.413	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-62.2	-33.6	-179.9	59	0	0	0	0	113.9	S446 Q447 E448 A452 C453	S446-S450 VanDerWaalsContact O-CB 3.31Å; S446-S450 WeakPolarHBondContact O-CB 3.36Å; S446-S450 PolarHBondContact O-N 2.82Å; S446-S450 PolarHBondContact O-OG 2.93Å; Q447-S450 PolarHBondContact O-OG 3.32Å; Q447-S450 VanDerWaalsContact O-OG 3.12Å; E448-S450 PolarHBondContact O-N 2.9Å; S450-A452 VanDerWaalsContact C-N 3.34Å; S450-A452 PolarHBondContact O-N 2.81Å; S450-C453 PolarHBondContact O-N 3.15Å
451	R	36.5	Very low	41.8	Very low	207 Å²	207	122.1 Å²	122.1	78%	0.781	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-72.9	-21.9	-177.6	-72.8	-177.2	174.8	156	0.8	114.3	E448 L449	E448-R451 PolarHBondContact O-N 3.27Å; L449-R451 VanDerWaalsContact C-N 3.32Å; L449-R451 PolarHBondContact O-N 2.72Å
452	A	35.7	Very low	44.3	Very low	73 Å²	73	115 Å²	115	60%	0.603	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-83.1	-18.6	175.9	0	0	0	0	0	113	L449 S450	L449-A452 PolarHBondContact O-N 2.61Å; S450-A452 VanDerWaalsContact C-N 3.34Å; S450-A452 PolarHBondContact O-N 2.81Å
453	C	32.4	Very low	46.9	Very low	85 Å²	85	113 Å²	113	57%	0.574	59%	0.585	S	S	*	*	S	Bend	trans	-101.3	13.2	-175.2	-67.3	0	0	0	0	114.6	S450 E455	S450-C453 PolarHBondContact O-N 3.15Å; C453-E455 VanDerWaalsContact C-N 3.27Å; C453-E455 PolarHBondContact O-N 3.44Å
454	E	36.8	Very low	49	Very low	166 Å²	166	108.5 Å²	108.5	78%	0.776	56%	0.56	S	S	*	*			trans	-87.7	18.7	172	-65.5	-158.5	130.2	0	0	113.7	I456	E454-I456 PolarHBondContact O-N 3.09Å
455	E	40.4	Very low	51.3	Low	170 Å²	170	108.4 Å²	108.4	79%	0.794	55%	0.554	S	S	*	*	S	Bend	trans	-68.4	70.1	166.2	-70.7	-154.4	137.9	0	0	112.3	C453 K457	C453-E455 VanDerWaalsContact C-N 3.27Å; C453-E455 PolarHBondContact O-N 3.44Å; E455-K457 PolarHBondContact O-N 3.27Å
456	I	43.7	Very low	53.6	Low	125 Å²	125	102 Å²	102	64%	0.641	52%	0.517	S	S	*	.			trans	41.5	78.4	156.9	-39.9	-179.2	0	0	0	114.3	E454 K458	E454-I456 PolarHBondContact O-N 3.09Å; I456-K458 VanDerWaalsContact C-N 3.3Å; I456-K458 HydrophobicContact CG2-CG 3.82Å; I456-K458 PolarHBondContact O-N 3.42Å
457	K	48.8	Very low	55.7	Low	143 Å²	143	99.4 Å²	99.4	62%	0.622	50%	0.497	S	S	*	.			trans	-61	86.8	165.5	-67.7	169.3	-176.7	165.6	0	110.1	E455 I459	E455-K457 PolarHBondContact O-N 3.27Å; K457-I459 PolarHBondContact O-N 3.2Å
458	K	65.9	Low	57.6	Low	129 Å²	129	93.4 Å²	93.4	56%	0.561	47%	0.471	S	S	*	.			trans	-68.6	115.7	-174.8	-74.5	173.6	-175.6	169.4	0	110.8	I403 I456	I403-K458 WeakPolarHBondContact CB-O 3.46Å; I403-K458 PolarHBondContact N-O 3.11Å; I456-K458 VanDerWaalsContact C-N 3.3Å; I456-K458 HydrophobicContact CG2-CG 3.82Å; I456-K458 PolarHBondContact O-N 3.42Å
459	I	72.6	Confident	59.6	Low	96 Å²	96	91.5 Å²	91.5	49%	0.492	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144	167.7	-62.1	169.2	0	0	0	108	L391 V400 V401 R402 K457	L391-I459 HydrophobicContact CD1-CB 4.5Å; L391-I459 HydrophobicContact CD1-CD1 3.66Å; L391-I459 HydrophobicContact CD1-CG1 3.82Å; L391-I459 HydrophobicContact CD1-CG2 3.86Å; V400-I459 HydrophobicContact CG1-CG2 3.62Å; V401-I459 WeakPolarHBondContact O-CA 3.38Å; R402-I459 HydrophobicContact CB-CG1 4.39Å; R402-I459 HydrophobicContact CG-CG1 4.39Å; K457-I459 PolarHBondContact O-N 3.2Å
460	G	79.6	Confident	61.3	Low	16 Å²	16	89.5 Å²	89.5	17%	0.165	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-174.6	169.9	0	0	0	0	0	112.3	V380 V401	V380-G460 VanDerWaalsContact CG2-C 3.48Å; V380-G460 VanDerWaalsContact CG2-CA 3.45Å; V401-G460 PolarHBondContact N-O 2.85Å; V401-G460 PolarHBondContact O-N 3.4Å; V401-G460 VanDerWaalsContact O-N 3.1Å
461	R	81.2	Confident	62.7	Low	85 Å²	85	89.1 Å²	89.1	32%	0.321	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.8	-172.8	-77	172.7	172.7	162	2.4	112.7	E378 L379 V380 N398 W399 V400	E378-R461 HydrophobicContact CB-CB 4.38Å; E378-R461 PolarHBondContact O-N 3.21Å; E378-R461 IonicContact OE1-NH1 2.95Å; E378-R461 PolarHBondContact OE1-NH1 3.25Å; E378-R461 WeakPolarHBondContact OE2-CD 3.46Å; E378-R461 IonicContact OE2-CZ 3.68Å; E378-R461 IonicContact OE2-NE 3.83Å; E378-R461 IonicContact OE2-NH1 2.75Å; E378-R461 PolarHBondContact OE2-NH1 2.8Å; L379-R461 CarbonylContact C-O 3.56Å; L379-R461 VanDerWaalsContact CA-O 3.27Å; L379-R461 WeakPolarHBondContact CA-O 3.33Å; L379-R461 HydrophobicContact CD2-CB 4.17Å; L379-R461 WeakPolarHBondContact CD2-O 3.3Å; V380-R461 PolarHBondContact N-O 2.9Å; N398-R461 HydrophobicContact CB-CB 4.4Å; W399-R461 CarbonylContact O-C 3.56Å; W399-R461 VanDerWaalsContact O-CA 3.3Å; W399-R461 WeakPolarHBondContact O-CA 3.45Å; V400-R461 HydrophobicContact CG2-CG 3.99Å
462	V	79.2	Confident	63.6	Low	3 Å²	3	83.3 Å²	83.3	2%	0.018	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.9	176.5	176.2	0	0	0	0	108.6	I368 V380 L382 N398 W399 V401 Y466 L467	I368-V462 HydrophobicContact CD1-CG1 4.33Å; V380-V462 HydrophobicContact CB-CG2 4.49Å; V380-V462 HydrophobicContact CG2-CG2 4.35Å; L382-V462 HydrophobicContact CD1-CG1 3.9Å; L382-V462 HydrophobicContact CD1-CG2 3.98Å; N398-V462 CarbonylContact C-O 3.59Å; W399-V462 PolarHBondContact N-O 3.35Å; W399-V462 PolarHBondContact O-N 3.06Å; V401-V462 HydrophobicContact CG2-CB 3.87Å; V401-V462 HydrophobicContact CG2-CG2 3.49Å; V401-V462 VanDerWaalsContact CG2-CG2 3.49Å; V462-Y466 HydrophobicContact CG1-CD2 4.32Å; V462-L467 HydrophobicContact CG1-CD1 4.31Å; V462-L467 HydrophobicContact CG1-CD2 4.04Å; V462-L467 HydrophobicContact CG1-CG 4.14Å
463	K	76.9	Confident	64.6	Low	63 Å²	63	83.1 Å²	83.1	27%	0.274	41%	0.414	S	S	.	.			trans	-69.9	134.3	176.2	-61.2	-136.7	161.7	-157.3	0	111.1	D397 V465 Y466	D397-K463 VanDerWaalsContact O-CA 3.22Å; D397-K463 WeakPolarHBondContact O-CA 3.29Å; D397-K463 WeakPolarHBondContact O-CB 3.5Å; D397-K463 VanDerWaalsContact O-CD 3.31Å; D397-K463 WeakPolarHBondContact O-CD 3.48Å; D397-K463 WeakPolarHBondContact O-CG 3.46Å; D397-K463 IonicContact OD1-NZ 3.8Å; K463-V465 PolarHBondContact O-N 2.68Å; K463-Y466 HydrophobicContact CB-CD1 4.39Å; K463-Y466 HydrophobicContact CB-CD2 3.66Å; K463-Y466 HydrophobicContact CB-CE1 4.36Å; K463-Y466 HydrophobicContact CB-CE2 3.65Å; K463-Y466 HydrophobicContact CB-CG 4.07Å; K463-Y466 HydrophobicContact CG-CD2 4.24Å; K463-Y466 HydrophobicContact CG-CE2 3.74Å; K463-Y466 WeakPolarHBondContact O-CB 3.23Å; K463-Y466 PolarHBondContact O-N 3.22Å
464	A	72.1	Confident	65.6	Low	20 Å²	20	82.7 Å²	82.7	17%	0.165	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-54.2	-39.6	-179.2	0	0	0	0	0	112.8	P396 W399 Y466 L467	P396-A464 WeakPolarHBondContact O-CB 3.26Å; W399-A464 HydrophobicContact CD2-CB 4.03Å; W399-A464 HydrophobicContact CG-CB 4.33Å; W399-A464 HydrophobicContact CZ2-CB 3.94Å; A464-Y466 PolarHBondContact O-N 3.06Å; A464-L467 PolarHBondContact O-N 2.72Å
465	V	75	Confident	66.2	Low	107 Å²	107	80.6 Å²	80.6	65%	0.648	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-57.9	-16.8	176.7	-177.5	0	0	0	0	113.6	K463	K463-V465 PolarHBondContact O-N 2.68Å
466	Y	77	Confident	66.4	Low	38 Å²	38	81.1 Å²	81.1	15%	0.149	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-90.5	0.3	177.9	-53.8	-23	0	0	0	113.5	A365 F366 I368 R373 V462 K463 A464	A365-Y466 WeakPolarHBondContact CB-O 3.2Å; A365-Y466 PolarHBondContact N-O 3.07Å; F366-Y466 HydrophobicContact CE1-CD1 4.36Å; F366-Y466 HydrophobicContact CE2-CD1 4.2Å; F366-Y466 AromaticContact CZ-CD1 3.5Å; F366-Y466 HydrophobicContact CZ-CD1 3.5Å; F366-Y466 AromaticContact CZ-CE1 4Å; F366-Y466 HydrophobicContact CZ-CE1 4Å; F366-Y466 HydrophobicContact CZ-CG 4.13Å; I368-Y466 HydrophobicContact CD1-CD2 3.7Å; I368-Y466 HydrophobicContact CD1-CG 3.98Å; R373-Y466 PolarHBondContact NH1-OH 2.72Å; V462-Y466 HydrophobicContact CG1-CD2 4.32Å; K463-Y466 HydrophobicContact CB-CD1 4.39Å; K463-Y466 HydrophobicContact CB-CD2 3.66Å; K463-Y466 HydrophobicContact CB-CE1 4.36Å; K463-Y466 HydrophobicContact CB-CE2 3.65Å; K463-Y466 HydrophobicContact CB-CG 4.07Å; K463-Y466 HydrophobicContact CG-CD2 4.24Å; K463-Y466 HydrophobicContact CG-CE2 3.74Å; K463-Y466 WeakPolarHBondContact O-CB 3.23Å; K463-Y466 PolarHBondContact O-N 3.22Å; A464-Y466 PolarHBondContact O-N 3.06Å
467	L	78.1	Confident	66.6	Low	22 Å²	22	78 Å²	78	12%	0.115	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.8	-172.6	-57.5	179.8	0	0	0	111.8	H362 Y363 L382 V388 W399 V401 V462 A464	H362-L467 HydrophobicContact CB-CB 4.38Å; Y363-L467 CarbonylContact O-C 3.58Å; Y363-L467 WeakPolarHBondContact O-CA 3.34Å; L382-L467 HydrophobicContact CD1-CD2 3.93Å; V388-L467 HydrophobicContact CG2-CD1 3.84Å; V388-L467 HydrophobicContact CG2-CD2 3.62Å; V388-L467 HydrophobicContact CG2-CG 4.34Å; W399-L467 HydrophobicContact CE3-CD1 3.88Å; W399-L467 HydrophobicContact CZ3-CD1 4.26Å; V401-L467 HydrophobicContact CG1-CD1 4.12Å; V462-L467 HydrophobicContact CG1-CD1 4.31Å; V462-L467 HydrophobicContact CG1-CD2 4.04Å; V462-L467 HydrophobicContact CG1-CG 4.14Å; A464-L467 PolarHBondContact O-N 2.72Å
468	T	76.2	Confident	66.7	Low	36 Å²	36	80 Å²	80	22%	0.221	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.4	176.1	139.7	0	0	0	0	110	H362 Y363 A365 N470	H362-T468 CarbonylContact C-O 3.6Å; H362-T468 WeakPolarHBondContact CA-O 3.29Å; Y363-T468 PolarHBondContact N-O 2.82Å; Y363-T468 PolarHBondContact O-N 3.08Å; A365-T468 HydrophobicContact CB-CG2 3.8Å; T468-N470 VanDerWaalsContact C-N 3.31Å; T468-N470 PolarHBondContact OG1-N 3.41Å; T468-N470 PolarHBondContact OG1-O 2.95Å
469	R	74.1	Confident	66.2	Low	138 Å²	138	80.3 Å²	80.3	52%	0.521	41%	0.407	S	S	.	.	S	Bend	trans	-79.5	-11.9	173	-74.4	179.6	168.8	164.8	-5.4	113.3	Q357	Q357-R469 PolarHBondContact O-NH2 3.09Å
470	N	68.1	Low	65.6	Low	98 Å²	98	79.9 Å²	79.9	52%	0.524	41%	0.406	S	S	.	.	S	Bend	trans	-113.1	147.4	-178.7	-62.8	-34.4	0	0	0	111.9	T468	T468-N470 VanDerWaalsContact C-N 3.31Å; T468-N470 PolarHBondContact OG1-N 3.41Å; T468-N470 PolarHBondContact OG1-O 2.95Å
471	L	67	Low	64.7	Low	52 Å²	52	83.5 Å²	83.5	27%	0.272	43%	0.426	S	S	.	.			trans	-72.7	133.8	168.4	-78.1	87.1	0	0	0	111.3	Y363 D385 A474 Q475	Y363-L471 HydrophobicContact CD1-CD1 3.96Å; Y363-L471 HydrophobicContact CD1-CG 4.07Å; Y363-L471 HydrophobicContact CD2-CD1 4.01Å; Y363-L471 HydrophobicContact CE1-CD1 3.61Å; Y363-L471 HydrophobicContact CE1-CG 4.18Å; Y363-L471 HydrophobicContact CE2-CD1 3.68Å; Y363-L471 HydrophobicContact CG-CD1 4.15Å; Y363-L471 HydrophobicContact CG-CG 4.24Å; Y363-L471 VanDerWaalsContact CZ-CD1 3.45Å; D385-L471 HydrophobicContact CB-CD2 3.99Å; D385-L471 HydrophobicContact CB-CG 4.18Å; D385-L471 VanDerWaalsContact OD1-CA 3.25Å; D385-L471 WeakPolarHBondContact OD1-CA 3.46Å; L471-A474 HydrophobicContact CB-CB 4.1Å; L471-A474 PolarHBondContact O-N 3Å; L471-Q475 PolarHBondContact O-N 3.35Å
472	K	55.5	Low	63.7	Low	85 Å²	85	86.5 Å²	86.5	37%	0.37	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-41.7	170.2	-87.5	-72.7	-174.7	-174.4	0	112	E384 D385 A474 Q475 R476	E384-K472 HydrophobicContact CG-CB 4.22Å; E384-K472 WeakPolarHBondContact OE1-CB 3.28Å; D385-K472 PolarHBondContact OD1-N 3.03Å; K472-A474 VanDerWaalsContact C-N 3.29Å; K472-A474 PolarHBondContact O-N 3.29Å; K472-Q475 PolarHBondContact O-N 3.42Å; K472-Q475 VanDerWaalsContact O-N 3.09Å; K472-R476 WeakPolarHBondContact O-CG 3.39Å; K472-R476 PolarHBondContact O-N 3.2Å
473	S	55.6	Low	63.2	Low	68 Å²	68	90.4 Å²	90.4	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-36.7	177.7	52.4	0	0	0	0	112.8	D385 Q475 R476	D385-S473 WeakPolarHBondContact OD2-CB 3.39Å; D385-S473 PolarHBondContact OD2-N 3.49Å; D385-S473 PolarHBondContact OD2-OG 2.78Å; S473-Q475 VanDerWaalsContact C-N 3.34Å; S473-R476 PolarHBondContact O-N 3.17Å
474	A	54.1	Low	62.8	Low	76 Å²	76	89.3 Å²	89.3	63%	0.628	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-35.8	173.9	0	0	0	0	0	112.3	L471 K472 R476 G477	L471-A474 HydrophobicContact CB-CB 4.1Å; L471-A474 PolarHBondContact O-N 3Å; K472-A474 VanDerWaalsContact C-N 3.29Å; K472-A474 PolarHBondContact O-N 3.29Å; A474-R476 VanDerWaalsContact C-N 3.28Å; A474-R476 PolarHBondContact O-N 3.25Å; A474-G477 PolarHBondContact O-N 3Å
475	Q	48.5	Very low	62.8	Low	123 Å²	123	90 Å²	90	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-72.8	-12	174.3	-70.2	-172.7	-34.7	0	0	114.3	L471 K472 S473 G477	L471-Q475 PolarHBondContact O-N 3.35Å; K472-Q475 PolarHBondContact O-N 3.42Å; K472-Q475 VanDerWaalsContact O-N 3.09Å; S473-Q475 VanDerWaalsContact C-N 3.34Å; Q475-G477 PolarHBondContact O-N 3.45Å
476	R	45.9	Very low	62.6	Low	180 Å²	180	92.2 Å²	92.2	68%	0.679	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	8.4	172.6	-59.8	-170.8	-164.5	-158	7.7	113.3	E384 K472 S473 A474 K478	E384-R476 IonicContact OE1-CZ 2.63Å; E384-R476 IonicContact OE1-NE 3.53Å; E384-R476 IonicContact OE1-NH2 2.66Å; E384-R476 PolarHBondContact OE1-NH2 3.11Å; E384-R476 IonicContact OE2-NH2 2.64Å; K472-R476 WeakPolarHBondContact O-CG 3.39Å; K472-R476 PolarHBondContact O-N 3.2Å; S473-R476 PolarHBondContact O-N 3.17Å; A474-R476 VanDerWaalsContact C-N 3.28Å; A474-R476 PolarHBondContact O-N 3.25Å; R476-K478 PolarHBondContact O-N 3.27Å; R476-K478 VanDerWaalsContact O-N 3.12Å
477	G	47.4	Very low	62.4	Low	59 Å²	59	95.1 Å²	95.1	61%	0.608	47%	0.467	S	S	*	.	S	Bend	trans	-70.5	99.3	173	0	0	0	0	0	112.5	A474 Q475	A474-G477 PolarHBondContact O-N 3Å; Q475-G477 PolarHBondContact O-N 3.45Å
478	K	50.4	Low	62.4	Low	187 Å²	187	97.4 Å²	97.4	81%	0.813	48%	0.479	S	S	*	.			trans	47.3	99	170.5	-67.3	-172.7	177.5	-174.9	0	115.6	R476	R476-K478 PolarHBondContact O-N 3.27Å; R476-K478 VanDerWaalsContact O-N 3.12Å
479	R	55.8	Low	62.4	Low	135 Å²	135	96.5 Å²	96.5	51%	0.509	47%	0.474	S	S	.	.			trans	-53.4	148	169.6	-166.5	168.6	-165.6	176.5	-6.4	112	E483 E487	R479-E483 HydrophobicContact CG-CB 4.22Å; R479-E483 IonicContact CZ-OE2 2.82Å; R479-E483 VanDerWaalsContact CZ-OE2 3.29Å; R479-E483 IonicContact NE-OE2 2.7Å; R479-E483 PolarHBondContact NE-OE2 2.84Å; R479-E483 IonicContact NH2-OE2 3.7Å; R479-E483 PolarHBondContact NH2-OE2 3.48Å; R479-E487 VanDerWaalsContact CZ-CD 3.47Å; R479-E487 IonicContact CZ-OE1 2.68Å; R479-E487 IonicContact CZ-OE2 3.29Å; R479-E487 IonicContact NH1-OE1 3.94Å; R479-E487 PolarHBondContact NH1-OE1 3.2Å; R479-E487 IonicContact NH1-OE2 3.08Å; R479-E487 PolarHBondContact NH1-OE2 3.31Å; R479-E487 IonicContact NH2-OE1 2.61Å; R479-E487 PolarHBondContact NH2-OE1 3.27Å; R479-E487 IonicContact NH2-OE2 3.99Å
480	N	59.5	Low	62.6	Low	87 Å²	87	96.8 Å²	96.8	47%	0.465	48%	0.484	S	S	.	.			trans	-55.8	125.5	177.8	-179	-11.3	0	0	0	111	R482 E483 S484	N480-R482 PolarHBondContact O-N 2.77Å; N480-R482 VanDerWaalsContact O-N 3.12Å; N480-R482 PolarHBondContact OD1-N 2.97Å; N480-R482 VanDerWaalsContact OD1-N 3.08Å; N480-E483 HydrophobicContact CB-CB 4.28Å; N480-E483 HydrophobicContact CB-CG 4.18Å; N480-E483 WeakPolarHBondContact O-CB 3.41Å; N480-E483 PolarHBondContact O-N 2.8Å; N480-S484 PolarHBondContact O-N 3.42Å; N480-S484 VanDerWaalsContact O-N 3.14Å
481	P	60.2	Low	63.1	Low	92 Å²	92	96 Å²	96	60%	0.597	49%	0.487	S	S	*	.	H	α-helix	trans	-52.8	-33.6	179.1	-29.3	36.2	0	0	0	114.4	E483 S484 F485	P481-E483 VanDerWaalsContact C-N 3.34Å; P481-S484 WeakPolarHBondContact CA-OG 3.33Å; P481-S484 PolarHBondContact O-OG 2.94Å; P481-F485 VanDerWaalsContact O-CB 3.3Å; P481-F485 WeakPolarHBondContact O-CB 3.35Å; P481-F485 PolarHBondContact O-N 2.65Å
482	R	61.1	Low	63.6	Low	148 Å²	148	96.8 Å²	96.8	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-72.3	-26.5	178.2	-157.2	177.4	-162.4	-151.5	5.6	112.8	N480 R486	N480-R482 PolarHBondContact O-N 2.77Å; N480-R482 VanDerWaalsContact O-N 3.12Å; N480-R482 PolarHBondContact OD1-N 2.97Å; N480-R482 VanDerWaalsContact OD1-N 3.08Å; R482-R486 WeakPolarHBondContact O-CG 3.34Å; R482-R486 PolarHBondContact O-N 2.72Å
483	E	68.6	Low	64.4	Low	84 Å²	84	98.9 Å²	98.9	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-77.2	-45.9	172	-78.6	-178.5	-130.9	0	0	112.1	R479 N480 P481 F485 R486 E487	R479-E483 HydrophobicContact CG-CB 4.22Å; R479-E483 IonicContact CZ-OE2 2.82Å; R479-E483 VanDerWaalsContact CZ-OE2 3.29Å; R479-E483 IonicContact NE-OE2 2.7Å; R479-E483 PolarHBondContact NE-OE2 2.84Å; R479-E483 IonicContact NH2-OE2 3.7Å; R479-E483 PolarHBondContact NH2-OE2 3.48Å; N480-E483 HydrophobicContact CB-CB 4.28Å; N480-E483 HydrophobicContact CB-CG 4.18Å; N480-E483 WeakPolarHBondContact O-CB 3.41Å; N480-E483 PolarHBondContact O-N 2.8Å; P481-E483 VanDerWaalsContact C-N 3.34Å; E483-F485 VanDerWaalsContact C-N 3.29Å; E483-F485 PolarHBondContact O-N 3Å; E483-R486 PolarHBondContact O-N 3.04Å; E483-R486 VanDerWaalsContact O-N 3.15Å; E483-E487 PolarHBondContact O-N 3.4Å
484	S	69	Low	65.7	Low	41 Å²	41	98.8 Å²	98.8	29%	0.287	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-42.8	176.5	45.5	0	0	0	0	110.6	N480 P481 R486 E487 D488	N480-S484 PolarHBondContact O-N 3.42Å; N480-S484 VanDerWaalsContact O-N 3.14Å; P481-S484 WeakPolarHBondContact CA-OG 3.33Å; P481-S484 PolarHBondContact O-OG 2.94Å; S484-R486 PolarHBondContact O-N 2.91Å; S484-E487 PolarHBondContact O-N 2.87Å; S484-D488 WeakPolarHBondContact O-CB 3.37Å; S484-D488 PolarHBondContact O-N 3.16Å
485	F	71.3	Confident	66.8	Low	35 Å²	35	103.1 Å²	103.1	15%	0.154	51%	0.512	C	S	.	.	H	α-helix	trans	-58.7	-42.8	173	172.4	-112	0	0	0	112.9	P481 E483 D488 V489 M501 K502 Y505	P481-F485 VanDerWaalsContact O-CB 3.3Å; P481-F485 WeakPolarHBondContact O-CB 3.35Å; P481-F485 PolarHBondContact O-N 2.65Å; E483-F485 VanDerWaalsContact C-N 3.29Å; E483-F485 PolarHBondContact O-N 3Å; F485-D488 PolarHBondContact O-N 3.26Å; F485-V489 HydrophobicContact CD2-CG2 3.79Å; F485-V489 HydrophobicContact CE1-CG2 4.23Å; F485-V489 HydrophobicContact CE2-CG2 3.37Å; F485-V489 HydrophobicContact CG-CG2 4.38Å; F485-V489 HydrophobicContact CZ-CG2 3.63Å; F485-V489 VanDerWaalsContact O-CB 3.3Å; F485-V489 WeakPolarHBondContact O-CB 3.1Å; F485-V489 VanDerWaalsContact O-CG2 3.24Å; F485-V489 WeakPolarHBondContact O-CG2 3.45Å; F485-V489 PolarHBondContact O-N 3.47Å; F485-M501 HydrophobicContact CD2-CG 4.41Å; F485-M501 HydrophobicContact CE2-CG 4.16Å; F485-K502 HydrophobicContact CZ-CB 4.46Å; F485-K502 HydrophobicContact CZ-CG 4Å; F485-Y505 HydrophobicContact CB-CD2 3.87Å; F485-Y505 HydrophobicContact CB-CE2 3.89Å; F485-Y505 HydrophobicContact CD1-CD1 4.13Å; F485-Y505 AromaticContact CD1-CD2 3.81Å; F485-Y505 HydrophobicContact CD1-CD2 3.81Å; F485-Y505 HydrophobicContact CD1-CE1 4.26Å; F485-Y505 AromaticContact CD1-CE2 3.96Å; F485-Y505 HydrophobicContact CD1-CE2 3.96Å; F485-Y505 AromaticContact CD1-CG 3.9Å; F485-Y505 HydrophobicContact CD1-CG 3.9Å; F485-Y505 AromaticContact CD2-CD2 3.62Å; F485-Y505 HydrophobicContact CD2-CD2 3.62Å; F485-Y505 HydrophobicContact CD2-CE2 4.43Å; F485-Y505 AromaticContact CD2-CG 3.81Å; F485-Y505 HydrophobicContact CD2-CG 3.81Å; F485-Y505 AromaticContact CE1-CD1 3.85Å; F485-Y505 HydrophobicContact CE1-CD1 3.85Å; F485-Y505 HydrophobicContact CE1-CD2 4.21Å; F485-Y505 HydrophobicContact CE1-CE1 4.27Å; F485-Y505 AromaticContact CE1-CG 3.81Å; F485-Y505 HydrophobicContact CE1-CG 3.81Å; F485-Y505 HydrophobicContact CE2-CD2 4.05Å; F485-Y505 AromaticContact CE2-CG 3.72Å; F485-Y505 HydrophobicContact CE2-CG 3.72Å; F485-Y505 AromaticContact CG-CD2 3.47Å; F485-Y505 HydrophobicContact CG-CD2 3.47Å; F485-Y505 VanDerWaalsContact CG-CD2 3.47Å; F485-Y505 AromaticContact CG-CE2 3.84Å; F485-Y505 HydrophobicContact CG-CE2 3.84Å; F485-Y505 AromaticContact CG-CG 3.88Å; F485-Y505 HydrophobicContact CG-CG 3.88Å; F485-Y505 HydrophobicContact CZ-CD1 4.04Å; F485-Y505 HydrophobicContact CZ-CD2 4.31Å; F485-Y505 AromaticContact CZ-CG 3.71Å; F485-Y505 HydrophobicContact CZ-CG 3.71Å
486	R	70.3	Confident	68.1	Low	153 Å²	153	101.4 Å²	101.4	58%	0.577	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-43.6	174.3	-82.5	-179.3	171.3	-165.6	-3.3	112	R482 E483 S484 I490	R482-R486 WeakPolarHBondContact O-CG 3.34Å; R482-R486 PolarHBondContact O-N 2.72Å; E483-R486 PolarHBondContact O-N 3.04Å; E483-R486 VanDerWaalsContact O-N 3.15Å; S484-R486 PolarHBondContact O-N 2.91Å; R486-I490 WeakPolarHBondContact O-CB 3.2Å; R486-I490 VanDerWaalsContact O-CD1 3.31Å; R486-I490 WeakPolarHBondContact O-CD1 2.89Å; R486-I490 WeakPolarHBondContact O-CG1 3.4Å; R486-I490 PolarHBondContact O-N 2.9Å
487	E	74.1	Confident	69.5	Low	98 Å²	98	97.3 Å²	97.3	46%	0.458	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-42.8	176.9	-73.4	-173.7	164.6	0	0	112.7	R479 E483 S484 I490 S491	R479-E487 VanDerWaalsContact CZ-CD 3.47Å; R479-E487 IonicContact CZ-OE1 2.68Å; R479-E487 IonicContact CZ-OE2 3.29Å; R479-E487 IonicContact NH1-OE1 3.94Å; R479-E487 PolarHBondContact NH1-OE1 3.2Å; R479-E487 IonicContact NH1-OE2 3.08Å; R479-E487 PolarHBondContact NH1-OE2 3.31Å; R479-E487 IonicContact NH2-OE1 2.61Å; R479-E487 PolarHBondContact NH2-OE1 3.27Å; R479-E487 IonicContact NH2-OE2 3.99Å; E483-E487 PolarHBondContact O-N 3.4Å; S484-E487 PolarHBondContact O-N 2.87Å; E487-I490 PolarHBondContact O-N 2.94Å; E487-S491 PolarHBondContact O-N 2.71Å
488	D	77	Confident	70.8	Confident	70 Å²	70	97 Å²	97	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-48.3	177.4	-65.7	-28.4	0	0	0	110.6	S484 F485 I490 S491 F492 M501	S484-D488 WeakPolarHBondContact O-CB 3.37Å; S484-D488 PolarHBondContact O-N 3.16Å; F485-D488 PolarHBondContact O-N 3.26Å; D488-I490 VanDerWaalsContact C-N 3.35Å; D488-I490 PolarHBondContact O-N 2.9Å; D488-S491 WeakPolarHBondContact O-CB 3.29Å; D488-S491 PolarHBondContact O-N 3.34Å; D488-S491 PolarHBondContact O-OG 2.84Å; D488-F492 WeakPolarHBondContact O-CD2 3.43Å; D488-F492 VanDerWaalsContact O-CE2 3.3Å; D488-F492 WeakPolarHBondContact O-CE2 3.27Å; D488-F492 PolarHBondContact O-N 2.96Å; D488-M501 HydrophobicContact CB-CE 3.69Å
489	V	76.3	Confident	72	Confident	18 Å²	18	89.6 Å²	89.6	11%	0.109	45%	0.447	C	S	.	.	H	α-helix	trans	-57.2	-45.6	175.7	166.1	0	0	0	0	111.5	F485 S491 F492 E498 M501 K502	F485-V489 HydrophobicContact CD2-CG2 3.79Å; F485-V489 HydrophobicContact CE1-CG2 4.23Å; F485-V489 HydrophobicContact CE2-CG2 3.37Å; F485-V489 HydrophobicContact CG-CG2 4.38Å; F485-V489 HydrophobicContact CZ-CG2 3.63Å; F485-V489 VanDerWaalsContact O-CB 3.3Å; F485-V489 WeakPolarHBondContact O-CB 3.1Å; F485-V489 VanDerWaalsContact O-CG2 3.24Å; F485-V489 WeakPolarHBondContact O-CG2 3.45Å; F485-V489 PolarHBondContact O-N 3.47Å; V489-S491 PolarHBondContact O-N 2.94Å; V489-F492 PolarHBondContact O-N 2.86Å; V489-E498 HydrophobicContact CG1-CG 3.91Å; V489-M501 HydrophobicContact CG2-CB 4.43Å; V489-M501 HydrophobicContact CG2-CG 4.02Å; V489-K502 HydrophobicContact CG2-CG 4.41Å
490	I	77.9	Confident	72.8	Confident	143 Å²	143	88.8 Å²	88.8	73%	0.733	44%	0.444	S	S	*	.	H	α-helix	trans	-67.7	-19.2	177.4	-68.7	166.6	0	0	0	112.2	R486 E487 D488	R486-I490 WeakPolarHBondContact O-CB 3.2Å; R486-I490 VanDerWaalsContact O-CD1 3.31Å; R486-I490 WeakPolarHBondContact O-CD1 2.89Å; R486-I490 WeakPolarHBondContact O-CG1 3.4Å; R486-I490 PolarHBondContact O-N 2.9Å; E487-I490 PolarHBondContact O-N 2.94Å; D488-I490 VanDerWaalsContact C-N 3.35Å; D488-I490 PolarHBondContact O-N 2.9Å
491	S	79.2	Confident	73.6	Confident	83 Å²	83	87 Å²	87	58%	0.58	43%	0.433	S	S	*	.	H	α-helix	trans	-78.4	-21.8	177.2	83.9	0	0	0	0	114.2	E487 D488 V489	E487-S491 PolarHBondContact O-N 2.71Å; D488-S491 WeakPolarHBondContact O-CB 3.29Å; D488-S491 PolarHBondContact O-N 3.34Å; D488-S491 PolarHBondContact O-OG 2.84Å; V489-S491 PolarHBondContact O-N 2.94Å
492	F	77	Confident	74.5	Confident	68 Å²	68	85.3 Å²	85.3	30%	0.298	42%	0.416	S	S	.	.			trans	-83	118.2	-179.2	-65.9	-70.4	0	0	0	111.8	D488 V489 N494 Q497 M501	D488-F492 WeakPolarHBondContact O-CD2 3.43Å; D488-F492 VanDerWaalsContact O-CE2 3.3Å; D488-F492 WeakPolarHBondContact O-CE2 3.27Å; D488-F492 PolarHBondContact O-N 2.96Å; V489-F492 PolarHBondContact O-N 2.86Å; F492-N494 VanDerWaalsContact C-N 3.31Å; F492-Q497 HydrophobicContact CB-CB 4.31Å; F492-Q497 HydrophobicContact CD1-CB 3.68Å; F492-Q497 HydrophobicContact CD1-CG 4.49Å; F492-Q497 HydrophobicContact CE1-CB 4.24Å; F492-Q497 HydrophobicContact CG-CB 4.06Å; F492-M501 HydrophobicContact CD2-CB 4.36Å; F492-M501 HydrophobicContact CD2-CG 4.41Å; F492-M501 HydrophobicContact CE2-CB 4.04Å; F492-M501 HydrophobicContact CE2-CG 3.79Å; F492-M501 HydrophobicContact CE2-SD 3.79Å; F492-M501 HydrophobicContact CZ-SD 4.17Å
493	S	72.3	Confident	75.1	Confident	129 Å²	129	78.6 Å²	78.6	90%	0.902	39%	0.392	S	S	*	.			trans	-83.2	-4.2	170.8	63.3	0	0	0	0	114
494	N	84.2	Confident	75.3	Confident	66 Å²	66	80 Å²	80	35%	0.353	39%	0.394	S	S	.	.			trans	-109.4	116	-179.2	179.4	-12.6	0	0	0	110.2	F492 Q496 Q497 E498	F492-N494 VanDerWaalsContact C-N 3.31Å; N494-Q496 PolarHBondContact O-N 3.21Å; N494-Q496 VanDerWaalsContact O-N 3.14Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.34Å; N494-Q496 PolarHBondContact OD1-N 3.12Å; N494-Q497 HydrophobicContact CB-CB 4.23Å; N494-Q497 HydrophobicContact CB-CG 4.1Å; N494-Q497 WeakPolarHBondContact O-CA 3.3Å; N494-Q497 WeakPolarHBondContact O-CB 3.37Å; N494-Q497 PolarHBondContact O-N 2.91Å; N494-E498 PolarHBondContact O-N 3.01Å
495	K	77.8	Confident	75.7	Confident	167 Å²	167	80.7 Å²	80.7	73%	0.726	39%	0.39	S	S	*	.	H	α-helix	trans	-56.6	-27.7	-179.8	-164.1	173.2	-177.3	178.4	0	113.9	S499	K495-S499 PolarHBondContact O-N 3.27Å; K495-S499 PolarHBondContact O-OG 2.86Å
496	Q	73.9	Confident	75.8	Confident	87 Å²	87	80 Å²	80	41%	0.407	39%	0.389	S	S	.	.	H	α-helix	trans	-77.4	-28	173.8	-63.8	-171.3	-11.8	0	0	113.5	N494 S499 R500 N691	N494-Q496 PolarHBondContact O-N 3.21Å; N494-Q496 VanDerWaalsContact O-N 3.14Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.34Å; N494-Q496 PolarHBondContact OD1-N 3.12Å; Q496-S499 PolarHBondContact O-OG 2.84Å; Q496-R500 WeakPolarHBondContact O-CB 3.38Å; Q496-R500 WeakPolarHBondContact O-CD 3.45Å; Q496-R500 VanDerWaalsContact O-CG 3.29Å; Q496-R500 WeakPolarHBondContact O-CG 3.26Å; Q496-R500 PolarHBondContact O-N 2.82Å; Q496-N691 PolarHBondContact NE2-ND2 3.25Å
497	Q	75.5	Confident	76	Confident	94 Å²	94	72.8 Å²	72.8	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-76.6	-39.8	171	-69.1	177.2	-27.9	0	0	109.8	F492 N494 R500 M501	F492-Q497 HydrophobicContact CB-CB 4.31Å; F492-Q497 HydrophobicContact CD1-CB 3.68Å; F492-Q497 HydrophobicContact CD1-CG 4.49Å; F492-Q497 HydrophobicContact CE1-CB 4.24Å; F492-Q497 HydrophobicContact CG-CB 4.06Å; N494-Q497 HydrophobicContact CB-CB 4.23Å; N494-Q497 HydrophobicContact CB-CG 4.1Å; N494-Q497 WeakPolarHBondContact O-CA 3.3Å; N494-Q497 WeakPolarHBondContact O-CB 3.37Å; N494-Q497 PolarHBondContact O-N 2.91Å; Q497-R500 PolarHBondContact O-N 3.06Å; Q497-M501 WeakPolarHBondContact O-CB 3.25Å; Q497-M501 PolarHBondContact O-N 3.12Å
498	E	76.1	Confident	76.1	Confident	52 Å²	52	71.3 Å²	71.3	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-48.5	173.5	-161.1	-157.6	166.2	0	0	112.1	V489 N494 M501 K502	V489-E498 HydrophobicContact CG1-CG 3.91Å; N494-E498 PolarHBondContact O-N 3.01Å; E498-M501 PolarHBondContact O-N 3.3Å; E498-K502 WeakPolarHBondContact O-CG 3.5Å; E498-K502 PolarHBondContact O-N 2.97Å; E498-K502 WeakPolarHBondContact OE1-CE 3.44Å; E498-K502 IonicContact OE1-NZ 3.52Å; E498-K502 PolarHBondContact OE1-NZ 2.74Å
499	S	75.4	Confident	76.2	Confident	31 Å²	31	72.3 Å²	72.3	22%	0.217	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-41.4	177.7	68	0	0	0	0	112.5	K495 Q496 M501 K502 L503	K495-S499 PolarHBondContact O-N 3.27Å; K495-S499 PolarHBondContact O-OG 2.86Å; Q496-S499 PolarHBondContact O-OG 2.84Å; S499-M501 VanDerWaalsContact C-N 3.31Å; S499-M501 PolarHBondContact O-N 2.81Å; S499-K502 PolarHBondContact O-N 2.76Å; S499-L503 WeakPolarHBondContact O-CB 3.46Å; S499-L503 PolarHBondContact O-N 3.48Å
500	R	71.8	Confident	76.4	Confident	118 Å²	118	71.5 Å²	71.5	45%	0.445	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-36.7	173	-78.6	174.1	165.7	146.5	-3	112.5	Q496 Q497 R504	Q496-R500 WeakPolarHBondContact O-CB 3.38Å; Q496-R500 WeakPolarHBondContact O-CD 3.45Å; Q496-R500 VanDerWaalsContact O-CG 3.29Å; Q496-R500 WeakPolarHBondContact O-CG 3.26Å; Q496-R500 PolarHBondContact O-N 2.82Å; Q497-R500 PolarHBondContact O-N 3.06Å; R500-R504 WeakPolarHBondContact O-CG 3.42Å; R500-R504 PolarHBondContact O-N 3.18Å; R500-R504 VanDerWaalsContact O-N 3.12Å
501	M	75.7	Confident	76.5	Confident	51 Å²	51	65.7 Å²	65.7	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-45.5	175.3	-165.5	74	-175.1	0	0	111.1	F485 D488 V489 F492 Q497 E498 S499 R504 Y505	F485-M501 HydrophobicContact CD2-CG 4.41Å; F485-M501 HydrophobicContact CE2-CG 4.16Å; D488-M501 HydrophobicContact CB-CE 3.69Å; V489-M501 HydrophobicContact CG2-CB 4.43Å; V489-M501 HydrophobicContact CG2-CG 4.02Å; F492-M501 HydrophobicContact CD2-CB 4.36Å; F492-M501 HydrophobicContact CD2-CG 4.41Å; F492-M501 HydrophobicContact CE2-CB 4.04Å; F492-M501 HydrophobicContact CE2-CG 3.79Å; F492-M501 HydrophobicContact CE2-SD 3.79Å; F492-M501 HydrophobicContact CZ-SD 4.17Å; Q497-M501 WeakPolarHBondContact O-CB 3.25Å; Q497-M501 PolarHBondContact O-N 3.12Å; E498-M501 PolarHBondContact O-N 3.3Å; S499-M501 VanDerWaalsContact C-N 3.31Å; S499-M501 PolarHBondContact O-N 2.81Å; M501-R504 PolarHBondContact O-N 2.96Å; M501-Y505 PolarHBondContact O-N 3.49Å; M501-Y505 VanDerWaalsContact O-N 3.13Å
502	K	79.3	Confident	76.6	Confident	55 Å²	55	66.5 Å²	66.5	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-46	175.8	-71	174.7	-177	174.9	0	112.1	F485 V489 E498 S499 R504 Y505 T506 Y687	F485-K502 HydrophobicContact CZ-CB 4.46Å; F485-K502 HydrophobicContact CZ-CG 4Å; V489-K502 HydrophobicContact CG2-CG 4.41Å; E498-K502 WeakPolarHBondContact O-CG 3.5Å; E498-K502 PolarHBondContact O-N 2.97Å; E498-K502 WeakPolarHBondContact OE1-CE 3.44Å; E498-K502 IonicContact OE1-NZ 3.52Å; E498-K502 PolarHBondContact OE1-NZ 2.74Å; S499-K502 PolarHBondContact O-N 2.76Å; K502-R504 VanDerWaalsContact C-N 3.31Å; K502-R504 PolarHBondContact O-N 2.8Å; K502-Y505 WeakPolarHBondContact O-CA 3.5Å; K502-Y505 WeakPolarHBondContact O-CB 3.31Å; K502-Y505 PolarHBondContact O-N 2.69Å; K502-T506 PolarHBondContact O-N 3.38Å; K502-Y687 HydrophobicContact CB-CD1 4.35Å; K502-Y687 HydrophobicContact CB-CE1 3.79Å; K502-Y687 HydrophobicContact CB-CE2 4.21Å; K502-Y687 HydrophobicContact CD-CE1 3.66Å; K502-Y687 HydrophobicContact CG-CE1 4.35Å
503	L	73.8	Confident	76.9	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-31.3	179.3	-164.3	66.3	0	0	0	112.7	S499 T506 L507 P585 I684 Y687 I688	S499-L503 WeakPolarHBondContact O-CB 3.46Å; S499-L503 PolarHBondContact O-N 3.48Å; L503-T506 PolarHBondContact O-OG1 2.8Å; L503-L507 WeakPolarHBondContact O-CB 3.23Å; L503-L507 WeakPolarHBondContact O-CD1 3.38Å; L503-L507 VanDerWaalsContact O-CG 3.25Å; L503-L507 WeakPolarHBondContact O-CG 3.36Å; L503-L507 PolarHBondContact O-N 3.38Å; L503-P585 HydrophobicContact CB-CB 4.21Å; L503-P585 HydrophobicContact CB-CG 4.44Å; L503-P585 HydrophobicContact CD2-CB 3.83Å; L503-P585 HydrophobicContact CD2-CG 4.09Å; L503-P585 HydrophobicContact CG-CB 3.85Å; L503-P585 HydrophobicContact CG-CG 4.42Å; L503-I684 HydrophobicContact CD1-CB 4.26Å; L503-I684 HydrophobicContact CD1-CG1 3.82Å; L503-I684 HydrophobicContact CD1-CG2 4.28Å; L503-Y687 HydrophobicContact CB-CD2 4.41Å; L503-Y687 HydrophobicContact CD1-CD2 3.82Å; L503-Y687 HydrophobicContact CD1-CG 4.38Å; L503-I688 HydrophobicContact CD2-CG1 4.49Å
504	R	73.8	Confident	77.5	Confident	114 Å²	114	59.2 Å²	59.2	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-35	169.8	-76	179.4	173.5	-146.2	-2.5	112.7	R500 M501 K502 T508 S582 S583 P585	R500-R504 WeakPolarHBondContact O-CG 3.42Å; R500-R504 PolarHBondContact O-N 3.18Å; R500-R504 VanDerWaalsContact O-N 3.12Å; M501-R504 PolarHBondContact O-N 2.96Å; K502-R504 VanDerWaalsContact C-N 3.31Å; K502-R504 PolarHBondContact O-N 2.8Å; R504-T508 PolarHBondContact O-N 2.88Å; R504-T508 VanDerWaalsContact O-N 3.07Å; R504-T508 PolarHBondContact O-OG1 3.41Å; R504-S582 WeakPolarHBondContact CD-O 3.47Å; R504-S582 PolarHBondContact NE-O 2.95Å; R504-S582 PolarHBondContact NH2-O 2.76Å; R504-S583 PolarHBondContact NH2-O 3.39Å; R504-P585 HydrophobicContact CG-CB 4.11Å; R504-P585 HydrophobicContact CG-CG 4.01Å
505	Y	76.8	Confident	77.5	Confident	55 Å²	55	59.3 Å²	59.3	22%	0.216	28%	0.282	C	S	.	.	H	α-helix	trans	-70.1	-46.5	176.7	-172.8	-92.6	0	0	0	111.7	F485 M501 K502 L507 T508 E509	F485-Y505 HydrophobicContact CB-CD2 3.87Å; F485-Y505 HydrophobicContact CB-CE2 3.89Å; F485-Y505 HydrophobicContact CD1-CD1 4.13Å; F485-Y505 AromaticContact CD1-CD2 3.81Å; F485-Y505 HydrophobicContact CD1-CD2 3.81Å; F485-Y505 HydrophobicContact CD1-CE1 4.26Å; F485-Y505 AromaticContact CD1-CE2 3.96Å; F485-Y505 HydrophobicContact CD1-CE2 3.96Å; F485-Y505 AromaticContact CD1-CG 3.9Å; F485-Y505 HydrophobicContact CD1-CG 3.9Å; F485-Y505 AromaticContact CD2-CD2 3.62Å; F485-Y505 HydrophobicContact CD2-CD2 3.62Å; F485-Y505 HydrophobicContact CD2-CE2 4.43Å; F485-Y505 AromaticContact CD2-CG 3.81Å; F485-Y505 HydrophobicContact CD2-CG 3.81Å; F485-Y505 AromaticContact CE1-CD1 3.85Å; F485-Y505 HydrophobicContact CE1-CD1 3.85Å; F485-Y505 HydrophobicContact CE1-CD2 4.21Å; F485-Y505 HydrophobicContact CE1-CE1 4.27Å; F485-Y505 AromaticContact CE1-CG 3.81Å; F485-Y505 HydrophobicContact CE1-CG 3.81Å; F485-Y505 HydrophobicContact CE2-CD2 4.05Å; F485-Y505 AromaticContact CE2-CG 3.72Å; F485-Y505 HydrophobicContact CE2-CG 3.72Å; F485-Y505 AromaticContact CG-CD2 3.47Å; F485-Y505 HydrophobicContact CG-CD2 3.47Å; F485-Y505 VanDerWaalsContact CG-CD2 3.47Å; F485-Y505 AromaticContact CG-CE2 3.84Å; F485-Y505 HydrophobicContact CG-CE2 3.84Å; F485-Y505 AromaticContact CG-CG 3.88Å; F485-Y505 HydrophobicContact CG-CG 3.88Å; F485-Y505 HydrophobicContact CZ-CD1 4.04Å; F485-Y505 HydrophobicContact CZ-CD2 4.31Å; F485-Y505 AromaticContact CZ-CG 3.71Å; F485-Y505 HydrophobicContact CZ-CG 3.71Å; M501-Y505 PolarHBondContact O-N 3.49Å; M501-Y505 VanDerWaalsContact O-N 3.13Å; K502-Y505 WeakPolarHBondContact O-CA 3.5Å; K502-Y505 WeakPolarHBondContact O-CB 3.31Å; K502-Y505 PolarHBondContact O-N 2.69Å; Y505-L507 VanDerWaalsContact C-N 3.28Å; Y505-L507 PolarHBondContact O-N 3.46Å; Y505-T508 WeakPolarHBondContact O-CA 3.18Å; Y505-T508 WeakPolarHBondContact O-CB 3.28Å; Y505-T508 PolarHBondContact O-N 2.97Å; Y505-E509 WeakPolarHBondContact CE1-OE2 3.47Å; Y505-E509 PolarHBondContact O-N 3.21Å
506	T	74.5	Confident	77.8	Confident	20 Å²	20	56.4 Å²	56.4	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-34.3	176.6	56.5	0	0	0	0	112.4	K502 L503 E509 L510 Y687	K502-T506 PolarHBondContact O-N 3.38Å; L503-T506 PolarHBondContact O-OG1 2.8Å; T506-E509 PolarHBondContact O-N 3.48Å; T506-L510 WeakPolarHBondContact O-CB 2.99Å; T506-L510 PolarHBondContact O-N 3.01Å; T506-Y687 HydrophobicContact CG2-CE2 4.26Å
507	L	73.9	Confident	78.6	Confident	2 Å²	2	53 Å²	53	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-33.8	171.1	-71.4	170.9	0	0	0	113.5	L503 Y505 L510 C511 L578 P585 S588	L503-L507 WeakPolarHBondContact O-CB 3.23Å; L503-L507 WeakPolarHBondContact O-CD1 3.38Å; L503-L507 VanDerWaalsContact O-CG 3.25Å; L503-L507 WeakPolarHBondContact O-CG 3.36Å; L503-L507 PolarHBondContact O-N 3.38Å; Y505-L507 VanDerWaalsContact C-N 3.28Å; Y505-L507 PolarHBondContact O-N 3.46Å; L507-L510 HydrophobicContact CD2-CD2 4.31Å; L507-C511 PolarHBondContact O-N 3.33Å; L507-C511 PolarHBondContact O-SG 2.97Å; L507-L578 HydrophobicContact CD2-CD2 4.2Å; L507-P585 HydrophobicContact CD1-CB 3.49Å; L507-P585 VanDerWaalsContact CD1-CB 3.49Å; L507-S588 VanDerWaalsContact CD2-CB 3.42Å
508	T	76.4	Confident	79.2	Confident	66 Å²	66	49.1 Å²	49.1	41%	0.405	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-42.8	174	-54	0	0	0	0	110.7	R504 Y505 C511 D512	R504-T508 PolarHBondContact O-N 2.88Å; R504-T508 VanDerWaalsContact O-N 3.07Å; R504-T508 PolarHBondContact O-OG1 3.41Å; Y505-T508 WeakPolarHBondContact O-CA 3.18Å; Y505-T508 WeakPolarHBondContact O-CB 3.28Å; Y505-T508 PolarHBondContact O-N 2.97Å; T508-C511 WeakPolarHBondContact O-CB 3.36Å; T508-C511 PolarHBondContact O-N 3.02Å; T508-D512 PolarHBondContact O-N 3.42Å
509	E	78.9	Confident	79.6	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-35.4	176.1	-171.2	162.1	-155.8	0	0	112.2	Y505 T506 D512 T513	Y505-E509 WeakPolarHBondContact CE1-OE2 3.47Å; Y505-E509 PolarHBondContact O-N 3.21Å; T506-E509 PolarHBondContact O-N 3.48Å; E509-D512 PolarHBondContact O-N 3.29Å; E509-T513 WeakPolarHBondContact O-CB 3.49Å; E509-T513 VanDerWaalsContact O-CG2 3.3Å; E509-T513 WeakPolarHBondContact O-CG2 3.43Å; E509-T513 PolarHBondContact O-N 3.1Å; E509-T513 PolarHBondContact O-OG1 3.18Å
510	L	80	Confident	80.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-46	167.8	171.4	51.6	0	0	0	111.2	T506 L507 D512 T513 E514 F574 L578 Y677 L680	T506-L510 WeakPolarHBondContact O-CB 2.99Å; T506-L510 PolarHBondContact O-N 3.01Å; L507-L510 HydrophobicContact CD2-CD2 4.31Å; L510-D512 PolarHBondContact O-N 3Å; L510-T513 PolarHBondContact O-N 3.49Å; L510-T513 PolarHBondContact O-OG1 3.26Å; L510-E514 WeakPolarHBondContact O-CB 3.23Å; L510-E514 PolarHBondContact O-N 3.45Å; L510-F574 HydrophobicContact CD1-CE1 4.23Å; L510-L578 HydrophobicContact CD1-CD1 4.36Å; L510-L578 HydrophobicContact CD2-CD1 4.03Å; L510-L578 HydrophobicContact CD2-CD2 3.76Å; L510-L578 HydrophobicContact CG-CD1 3.77Å; L510-L578 HydrophobicContact CG-CD2 4.35Å; L510-Y677 HydrophobicContact CD1-CD1 4.35Å; L510-Y677 HydrophobicContact CD1-CE1 4.18Å; L510-L680 HydrophobicContact CB-CD1 4.21Å; L510-L680 HydrophobicContact CD1-CD1 3.76Å; L510-L680 HydrophobicContact CD2-CD1 4.5Å; L510-L680 HydrophobicContact CG-CD1 4.34Å
511	C	80	Confident	81.1	Confident	20 Å²	20	44.7 Å²	44.7	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-46.2	176.4	-67	0	0	0	0	112.4	L507 T508 E514 L515	L507-C511 PolarHBondContact O-N 3.33Å; L507-C511 PolarHBondContact O-SG 2.97Å; T508-C511 WeakPolarHBondContact O-CB 3.36Å; T508-C511 PolarHBondContact O-N 3.02Å; C511-E514 PolarHBondContact O-N 3.24Å; C511-L515 WeakPolarHBondContact O-CB 3.38Å; C511-L515 PolarHBondContact O-N 3.04Å
512	D	81.3	Confident	81.8	Confident	100 Å²	100	49 Å²	49	54%	0.535	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-43.4	179.6	-82.5	-29.4	0	0	0	111.7	T508 E509 L510 E514 L515 E516	T508-D512 PolarHBondContact O-N 3.42Å; E509-D512 PolarHBondContact O-N 3.29Å; L510-D512 PolarHBondContact O-N 3Å; D512-E514 VanDerWaalsContact C-N 3.33Å; D512-E514 PolarHBondContact O-N 3.03Å; D512-L515 WeakPolarHBondContact O-CB 2.99Å; D512-L515 PolarHBondContact O-N 3.5Å; D512-E516 PolarHBondContact O-N 2.68Å
513	T	83.7	Confident	82.1	Confident	44 Å²	44	47.9 Å²	47.9	27%	0.27	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-28.8	176.3	60	0	0	0	0	113.2	E509 L510 E516 Y517 R673	E509-T513 WeakPolarHBondContact O-CB 3.49Å; E509-T513 VanDerWaalsContact O-CG2 3.3Å; E509-T513 WeakPolarHBondContact O-CG2 3.43Å; E509-T513 PolarHBondContact O-N 3.1Å; E509-T513 PolarHBondContact O-OG1 3.18Å; L510-T513 PolarHBondContact O-N 3.49Å; L510-T513 PolarHBondContact O-OG1 3.26Å; T513-E516 PolarHBondContact O-N 2.82Å; T513-Y517 WeakPolarHBondContact O-CB 3.48Å; T513-Y517 PolarHBondContact O-N 3.49Å; T513-R673 PolarHBondContact OG1-NH1 3.36Å; T513-R673 PolarHBondContact OG1-NH2 3.08Å
514	E	84.7	Confident	82.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.3	-34.4	173.2	-170.5	67.3	-154	0	0	111.3	L510 C511 D512 E516 Y517 S518 C571 F574 L575 R673 Y677	L510-E514 WeakPolarHBondContact O-CB 3.23Å; L510-E514 PolarHBondContact O-N 3.45Å; C511-E514 PolarHBondContact O-N 3.24Å; D512-E514 VanDerWaalsContact C-N 3.33Å; D512-E514 PolarHBondContact O-N 3.03Å; E514-E516 VanDerWaalsContact C-N 3.29Å; E514-E516 PolarHBondContact O-N 3.5Å; E514-Y517 PolarHBondContact O-N 2.93Å; E514-Y517 WeakPolarHBondContact OE1-CD1 3.44Å; E514-S518 WeakPolarHBondContact O-CB 3.48Å; E514-S518 PolarHBondContact O-N 3.1Å; E514-S518 PolarHBondContact O-OG 3.42Å; E514-C571 WeakPolarHBondContact OE1-CB 3.22Å; E514-C571 PolarHBondContact OE1-SG 3.21Å; E514-F574 HydrophobicContact CG-CD1 3.89Å; E514-F574 HydrophobicContact CG-CE1 4.35Å; E514-L575 HydrophobicContact CB-CD2 3.75Å; E514-L575 HydrophobicContact CB-CG 4.23Å; E514-L575 HydrophobicContact CG-CD1 4.21Å; E514-L575 HydrophobicContact CG-CD2 3.75Å; E514-L575 HydrophobicContact CG-CG 3.65Å; E514-R673 VanDerWaalsContact CA-NH2 3.31Å; E514-R673 VanDerWaalsContact N-NH2 3.18Å; E514-R673 IonicContact OE2-CZ 2.7Å; E514-R673 VanDerWaalsContact OE2-CZ 3.29Å; E514-R673 IonicContact OE2-NE 3.37Å; E514-R673 PolarHBondContact OE2-NE 3.1Å; E514-R673 IonicContact OE2-NH2 2.63Å; E514-R673 PolarHBondContact OE2-NH2 3.25Å; E514-Y677 VanDerWaalsContact CD-OH 3.25Å; E514-Y677 PolarHBondContact OE1-OH 2.92Å; E514-Y677 VanDerWaalsContact OE1-OH 3.11Å; E514-Y677 VanDerWaalsContact OE2-CE1 3.32Å; E514-Y677 WeakPolarHBondContact OE2-CE1 3.5Å; E514-Y677 PolarHBondContact OE2-OH 3.34Å
515	L	84.3	Confident	83.6	Confident	69 Å²	69	43 Å²	43	36%	0.361	21%	0.21	S	C	.	.	H	α-helix	trans	-69.8	-26.3	172.5	-168.3	67.7	0	0	0	112.3	C511 D512 S518 R519 L575	C511-L515 WeakPolarHBondContact O-CB 3.38Å; C511-L515 PolarHBondContact O-N 3.04Å; D512-L515 WeakPolarHBondContact O-CB 2.99Å; D512-L515 PolarHBondContact O-N 3.5Å; L515-S518 WeakPolarHBondContact CA-OG 3.42Å; L515-S518 PolarHBondContact O-OG 2.87Å; L515-R519 VanDerWaalsContact CD2-NH2 3.29Å; L515-R519 VanDerWaalsContact O-CD 3.25Å; L515-R519 WeakPolarHBondContact O-CD 3.25Å; L515-R519 WeakPolarHBondContact O-CG 3.1Å; L515-R519 PolarHBondContact O-NE 2.92Å; L515-L575 HydrophobicContact CB-CD2 4.38Å; L515-L575 HydrophobicContact CD1-CD1 4.21Å
516	E	83.8	Confident	84	Confident	106 Å²	106	42.9 Å²	42.9	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-79.1	-43.5	169.3	-70.6	-173.1	162.9	0	0	112.3	D512 T513 E514 R519 A520	D512-E516 PolarHBondContact O-N 2.68Å; T513-E516 PolarHBondContact O-N 2.82Å; E514-E516 VanDerWaalsContact C-N 3.29Å; E514-E516 PolarHBondContact O-N 3.5Å; E516-R519 WeakPolarHBondContact O-CB 3.41Å; E516-R519 PolarHBondContact O-N 3.16Å; E516-A520 PolarHBondContact O-N 2.94Å
517	Y	90	Very high	84.6	Confident	15 Å²	15	42.5 Å²	42.5	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-48.8	175.9	174.6	-121.3	0	0	0	112.2	T513 E514 R519 A520 L521 C571 Y602 P670 R673	T513-Y517 WeakPolarHBondContact O-CB 3.48Å; T513-Y517 PolarHBondContact O-N 3.49Å; E514-Y517 PolarHBondContact O-N 2.93Å; E514-Y517 WeakPolarHBondContact OE1-CD1 3.44Å; Y517-R519 VanDerWaalsContact C-N 3.25Å; Y517-R519 PolarHBondContact O-N 2.77Å; Y517-A520 CarbonylContact O-C 3.58Å; Y517-A520 WeakPolarHBondContact O-CA 3.36Å; Y517-A520 WeakPolarHBondContact O-CB 3.45Å; Y517-A520 PolarHBondContact O-N 2.93Å; Y517-L521 HydrophobicContact CD1-CD1 4.19Å; Y517-L521 HydrophobicContact CD2-CD2 4.31Å; Y517-L521 HydrophobicContact CD2-CG 4.15Å; Y517-L521 HydrophobicContact CE1-CD1 3.66Å; Y517-L521 HydrophobicContact CE1-CG 4.22Å; Y517-L521 HydrophobicContact CE2-CD1 4.12Å; Y517-L521 HydrophobicContact CE2-CD2 3.58Å; Y517-L521 HydrophobicContact CE2-CG 3.81Å; Y517-L521 HydrophobicContact CG-CG 4.5Å; Y517-L521 WeakPolarHBondContact O-CG 3.32Å; Y517-L521 PolarHBondContact O-N 3.28Å; Y517-C571 WeakPolarHBondContact CE1-SG 3.18Å; Y517-Y602 WeakPolarHBondContact CE1-OH 3.49Å; Y517-Y602 VanDerWaalsContact OH-CE1 3.31Å; Y517-Y602 WeakPolarHBondContact OH-CE1 3.3Å; Y517-Y602 PolarHBondContact OH-OH 3.37Å; Y517-P670 WeakPolarHBondContact OH-CA 3.07Å; Y517-R673 HydrophobicContact CD1-CG 3.78Å; Y517-R673 HydrophobicContact CD2-CB 3.96Å; Y517-R673 HydrophobicContact CD2-CG 3.99Å; Y517-R673 HydrophobicContact CE1-CB 4.1Å; Y517-R673 HydrophobicContact CE1-CG 3.62Å; Y517-R673 HydrophobicContact CE2-CB 3.49Å; Y517-R673 VanDerWaalsContact CE2-CB 3.49Å; Y517-R673 HydrophobicContact CE2-CG 3.85Å; Y517-R673 HydrophobicContact CG-CB 4.44Å; Y517-R673 HydrophobicContact CG-CG 3.95Å
518	S	88.1	Confident	85.3	Confident	12 Å²	12	42.4 Å²	42.4	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-26.6	176.9	54.7	0	0	0	0	114	E514 L515 R522	E514-S518 WeakPolarHBondContact O-CB 3.48Å; E514-S518 PolarHBondContact O-N 3.1Å; E514-S518 PolarHBondContact O-OG 3.42Å; L515-S518 WeakPolarHBondContact CA-OG 3.42Å; L515-S518 PolarHBondContact O-OG 2.87Å; S518-R522 PolarHBondContact O-N 3.49Å
519	R	86.4	Confident	85.8	Confident	95 Å²	95	43.6 Å²	43.6	36%	0.358	21%	0.214	S	C	.	.	H	α-helix	trans	-72	-43.3	168.7	-67.5	164.2	-170.3	149.1	3	111.5	L515 E516 Y517 R522 Q523	L515-R519 VanDerWaalsContact CD2-NH2 3.29Å; L515-R519 VanDerWaalsContact O-CD 3.25Å; L515-R519 WeakPolarHBondContact O-CD 3.25Å; L515-R519 WeakPolarHBondContact O-CG 3.1Å; L515-R519 PolarHBondContact O-NE 2.92Å; E516-R519 WeakPolarHBondContact O-CB 3.41Å; E516-R519 PolarHBondContact O-N 3.16Å; Y517-R519 VanDerWaalsContact C-N 3.25Å; Y517-R519 PolarHBondContact O-N 2.77Å; R519-R522 PolarHBondContact O-N 3.1Å; R519-Q523 WeakPolarHBondContact O-CG 3.37Å; R519-Q523 PolarHBondContact O-N 3.16Å
520	A	87.9	Confident	86.1	Confident	14 Å²	14	39.7 Å²	39.7	12%	0.116	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-40	178.5	0	0	0	0	0	111.9	E516 Y517 R522 Q523 L524 L669	E516-A520 PolarHBondContact O-N 2.94Å; Y517-A520 CarbonylContact O-C 3.58Å; Y517-A520 WeakPolarHBondContact O-CA 3.36Å; Y517-A520 WeakPolarHBondContact O-CB 3.45Å; Y517-A520 PolarHBondContact O-N 2.93Å; A520-R522 PolarHBondContact O-N 2.84Å; A520-Q523 PolarHBondContact O-N 3.34Å; A520-L524 PolarHBondContact O-N 3.2Å; A520-L669 HydrophobicContact CB-CD1 4.03Å
521	L	90.5	Very high	86.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-41	171.6	-66	-174.7	0	0	0	112.2	Y517 L524 S525 L564 I567 I568 P670	Y517-L521 HydrophobicContact CD1-CD1 4.19Å; Y517-L521 HydrophobicContact CD2-CD2 4.31Å; Y517-L521 HydrophobicContact CD2-CG 4.15Å; Y517-L521 HydrophobicContact CE1-CD1 3.66Å; Y517-L521 HydrophobicContact CE1-CG 4.22Å; Y517-L521 HydrophobicContact CE2-CD1 4.12Å; Y517-L521 HydrophobicContact CE2-CD2 3.58Å; Y517-L521 HydrophobicContact CE2-CG 3.81Å; Y517-L521 HydrophobicContact CG-CG 4.5Å; Y517-L521 WeakPolarHBondContact O-CG 3.32Å; Y517-L521 PolarHBondContact O-N 3.28Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.18Å; L521-S525 PolarHBondContact O-N 3.33Å; L521-L564 HydrophobicContact CB-CD1 4.06Å; L521-L564 HydrophobicContact CD2-CD1 3.69Å; L521-L564 HydrophobicContact CG-CD1 4.31Å; L521-I567 HydrophobicContact CD1-CG2 3.72Å; L521-I568 HydrophobicContact CB-CD1 3.99Å; L521-I568 HydrophobicContact CB-CG1 3.59Å; L521-I568 HydrophobicContact CD1-CG1 3.96Å; L521-I568 HydrophobicContact CG-CG1 4.47Å; L521-P670 HydrophobicContact CD2-CG 4.05Å
522	R	89.3	Confident	86.4	Confident	142 Å²	142	43.3 Å²	43.3	54%	0.536	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-41.1	176.1	-170.1	172.9	-62.6	143.7	6.9	112	S518 R519 A520 L524 S525 D526	S518-R522 PolarHBondContact O-N 3.49Å; R519-R522 PolarHBondContact O-N 3.1Å; A520-R522 PolarHBondContact O-N 2.84Å; R522-L524 VanDerWaalsContact C-N 3.3Å; R522-L524 PolarHBondContact O-N 3.13Å; R522-S525 WeakPolarHBondContact O-CB 3.5Å; R522-S525 PolarHBondContact O-N 3.01Å; R522-S525 VanDerWaalsContact O-N 3.15Å; R522-D526 VanDerWaalsContact O-CG 3.27Å; R522-D526 PolarHBondContact O-N 3.17Å
523	Q	85.6	Confident	86.5	Confident	31 Å²	31	39.6 Å²	39.6	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-35.5	172.9	-69.1	175.4	6.1	0	0	112.4	R519 A520 I527	R519-Q523 WeakPolarHBondContact O-CG 3.37Å; R519-Q523 PolarHBondContact O-N 3.16Å; A520-Q523 PolarHBondContact O-N 3.34Å; Q523-I527 WeakPolarHBondContact O-CB 3.41Å; Q523-I527 WeakPolarHBondContact O-CD1 3.31Å; Q523-I527 VanDerWaalsContact O-CG1 3.23Å; Q523-I527 WeakPolarHBondContact O-CG1 3.34Å; Q523-I527 PolarHBondContact O-N 3.01Å
524	L	89.6	Confident	86.6	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-38.6	171.9	175.3	62.6	0	0	0	111.5	A520 L521 R522 I527 L528 L564 L666 L667	A520-L524 PolarHBondContact O-N 3.2Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.18Å; R522-L524 VanDerWaalsContact C-N 3.3Å; R522-L524 PolarHBondContact O-N 3.13Å; L524-I527 PolarHBondContact O-N 3.39Å; L524-L528 HydrophobicContact CD1-CD1 4.35Å; L524-L528 HydrophobicContact CD1-CG 4.16Å; L524-L528 HydrophobicContact CG-CD1 4.32Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.26Å; L524-L564 HydrophobicContact CB-CD2 4.1Å; L524-L564 HydrophobicContact CD2-CD1 4.02Å; L524-L564 HydrophobicContact CD2-CD2 3.91Å; L524-L564 HydrophobicContact CG-CD2 3.65Å; L524-L666 HydrophobicContact CD1-CB 4.02Å; L524-L667 HydrophobicContact CD1-CD2 4.08Å; L524-L667 HydrophobicContact CD1-CG 4.28Å; L524-L667 HydrophobicContact CD2-CD2 4.34Å
525	S	90.4	Very high	86.5	Confident	18 Å²	18	41.9 Å²	41.9	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-54.1	172	-159.4	0	0	0	0	110.3	L521 R522 I527 L528 D529	L521-S525 PolarHBondContact O-N 3.33Å; R522-S525 WeakPolarHBondContact O-CB 3.5Å; R522-S525 PolarHBondContact O-N 3.01Å; R522-S525 VanDerWaalsContact O-N 3.15Å; S525-I527 PolarHBondContact O-N 2.71Å; S525-L528 PolarHBondContact O-N 2.83Å; S525-D529 VanDerWaalsContact C-OD2 3.31Å; S525-D529 VanDerWaalsContact O-CB 3.32Å; S525-D529 WeakPolarHBondContact O-CB 3.37Å; S525-D529 PolarHBondContact O-N 3.31Å; S525-D529 PolarHBondContact OG-OD2 2.99Å
526	D	85.9	Confident	86.4	Confident	53 Å²	53	39.9 Å²	39.9	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-52.4	-34.9	177.7	-61.4	-22.7	0	0	0	112.2	R522 S530 F635	R522-D526 VanDerWaalsContact O-CG 3.27Å; R522-D526 PolarHBondContact O-N 3.17Å; D526-S530 WeakPolarHBondContact O-CB 3.26Å; D526-S530 PolarHBondContact O-N 2.9Å; D526-S530 PolarHBondContact O-OG 3.1Å; D526-F635 HydrophobicContact CB-CD1 3.86Å; D526-F635 HydrophobicContact CB-CE1 4.37Å; D526-F635 HydrophobicContact CB-CG 4.34Å
527	I	86.3	Confident	86.3	Confident	11 Å²	11	35.8 Å²	35.8	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-74.4	-45.5	175.8	-71.9	166.6	0	0	0	112	Q523 L524 S525 S530 I658 L663 L666	Q523-I527 WeakPolarHBondContact O-CB 3.41Å; Q523-I527 WeakPolarHBondContact O-CD1 3.31Å; Q523-I527 VanDerWaalsContact O-CG1 3.23Å; Q523-I527 WeakPolarHBondContact O-CG1 3.34Å; Q523-I527 PolarHBondContact O-N 3.01Å; L524-I527 PolarHBondContact O-N 3.39Å; S525-I527 PolarHBondContact O-N 2.71Å; I527-S530 PolarHBondContact O-N 2.74Å; I527-S530 PolarHBondContact O-OG 2.75Å; I527-S530 VanDerWaalsContact O-OG 3.13Å; I527-I658 HydrophobicContact CG2-CD1 4.06Å; I527-L663 HydrophobicContact CG2-CD1 4.25Å; I527-L666 HydrophobicContact CD1-CD1 3.78Å
528	L	87.5	Confident	85.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-39.5	177.2	-70.7	178.2	0	0	0	112.1	L524 S525 S530 L531 L560 Q561 L564 L663 L667	L524-L528 HydrophobicContact CD1-CD1 4.35Å; L524-L528 HydrophobicContact CD1-CG 4.16Å; L524-L528 HydrophobicContact CG-CD1 4.32Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.26Å; S525-L528 PolarHBondContact O-N 2.83Å; L528-S530 PolarHBondContact O-N 3.17Å; L528-L531 HydrophobicContact CD2-CD1 3.85Å; L528-L531 WeakPolarHBondContact O-CB 3.1Å; L528-L531 WeakPolarHBondContact O-CG 3.32Å; L528-L531 PolarHBondContact O-N 2.82Å; L528-L560 HydrophobicContact CD1-CB 4.19Å; L528-Q561 HydrophobicContact CB-CG 3.79Å; L528-Q561 HydrophobicContact CD1-CG 4.37Å; L528-Q561 PolarHBondContact O-NE2 2.68Å; L528-L564 HydrophobicContact CD1-CD2 3.85Å; L528-L663 HydrophobicContact CD2-CD1 4.26Å; L528-L667 HydrophobicContact CD1-CD2 4.29Å; L528-L667 HydrophobicContact CD2-CD2 4.37Å
529	D	87.4	Confident	84.8	Confident	90 Å²	90	37.9 Å²	37.9	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-70.5	-20.9	179.8	-64.2	-38	0	0	0	112	S525	S525-D529 VanDerWaalsContact C-OD2 3.31Å; S525-D529 VanDerWaalsContact O-CB 3.32Å; S525-D529 WeakPolarHBondContact O-CB 3.37Å; S525-D529 PolarHBondContact O-N 3.31Å; S525-D529 PolarHBondContact OG-OD2 2.99Å
530	S	85.5	Confident	84.1	Confident	10 Å²	10	36.5 Å²	36.5	7%	0.07	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.2	176	55.5	0	0	0	0	114.8	D526 I527 L528 N532 L630 S631	D526-S530 WeakPolarHBondContact O-CB 3.26Å; D526-S530 PolarHBondContact O-N 2.9Å; D526-S530 PolarHBondContact O-OG 3.1Å; I527-S530 PolarHBondContact O-N 2.74Å; I527-S530 PolarHBondContact O-OG 2.75Å; I527-S530 VanDerWaalsContact O-OG 3.13Å; L528-S530 PolarHBondContact O-N 3.17Å; S530-N532 PolarHBondContact O-N 3.3Å; S530-L630 CarbonylContact O-C 3.23Å; S530-L630 WeakPolarHBondContact O-CA 3.07Å; S530-S631 WeakPolarHBondContact CA-OG 3.48Å; S530-S631 WeakPolarHBondContact CB-OG 3.41Å; S530-S631 PolarHBondContact O-N 3.39Å; S530-S631 PolarHBondContact O-OG 2.95Å
531	L	85.9	Confident	83.4	Confident	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.3	177.1	-69.9	177.3	0	0	0	112.8	L528 G533 I557 F628 L630 I658	L528-L531 HydrophobicContact CD2-CD1 3.85Å; L528-L531 WeakPolarHBondContact O-CB 3.1Å; L528-L531 WeakPolarHBondContact O-CG 3.32Å; L528-L531 PolarHBondContact O-N 2.82Å; L531-G533 VanDerWaalsContact C-N 3.31Å; L531-G533 PolarHBondContact O-N 3.19Å; L531-I557 HydrophobicContact CD1-CD1 4.13Å; L531-I557 HydrophobicContact CD1-CG2 4Å; L531-F628 HydrophobicContact CD2-CB 3.74Å; L531-F628 HydrophobicContact CD2-CG 4.41Å; L531-L630 HydrophobicContact CD2-CD2 3.91Å; L531-I658 HydrophobicContact CD2-CG2 4.34Å
532	N	81.1	Confident	82.3	Confident	76 Å²	76	49 Å²	49	41%	0.406	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	7.8	-169.4	-80.8	-9	0	0	0	116.7	S530 K534 S629 L630 S631	S530-N532 PolarHBondContact O-N 3.3Å; N532-K534 VanDerWaalsContact C-N 3.25Å; N532-K534 PolarHBondContact O-N 3.44Å; N532-S629 WeakPolarHBondContact CB-OG 3.48Å; N532-S629 PolarHBondContact N-O 3.08Å; N532-L630 PolarHBondContact ND2-O 3.48Å; N532-L630 VanDerWaalsContact ND2-O 3.1Å; N532-S631 PolarHBondContact ND2-N 2.94Å; N532-S631 WeakPolarHBondContact OD1-CA 3.22Å; N532-S631 WeakPolarHBondContact OD1-CB 3.18Å; N532-S631 PolarHBondContact OD1-N 2.87Å
533	G	83.6	Confident	81.6	Confident	22 Å²	22	44.5 Å²	44.5	23%	0.227	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.7	10	-175.1	0	0	0	0	0	115.1	L531 D548 Y549	L531-G533 VanDerWaalsContact C-N 3.31Å; L531-G533 PolarHBondContact O-N 3.19Å; G533-D548 CarbonylContact O-C 3.56Å; G533-D548 WeakPolarHBondContact O-CA 3.35Å; G533-Y549 WeakPolarHBondContact O-CD1 3.39Å; G533-Y549 PolarHBondContact O-N 3.01Å
534	K	84.1	Confident	81.2	Confident	92 Å²	92	48.5 Å²	48.5	40%	0.4	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.3	178.7	-43.8	-170.6	177.8	-99.3	0	113.6	N532 I546 L547 D548 S629	N532-K534 VanDerWaalsContact C-N 3.25Å; N532-K534 PolarHBondContact O-N 3.44Å; K534-I546 HydrophobicContact CB-CG2 4.12Å; K534-I546 HydrophobicContact CD-CG2 4.15Å; K534-L547 CarbonylContact C-O 3.56Å; K534-L547 WeakPolarHBondContact CA-O 3.39Å; K534-D548 WeakPolarHBondContact CD-OD1 3.49Å; K534-D548 WeakPolarHBondContact CE-OD1 3.39Å; K534-D548 WeakPolarHBondContact CG-OD1 3.47Å; K534-D548 IonicContact NZ-OD1 2.62Å; K534-D548 PolarHBondContact NZ-OD1 2.95Å; K534-D548 IonicContact NZ-OD2 2.58Å; K534-S629 WeakPolarHBondContact CB-OG 3.15Å; K534-S629 PolarHBondContact O-N 3.49Å; K534-S629 PolarHBondContact O-OG 2.9Å
535	I	84.1	Confident	80.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.8	172.8	-49	-176.4	0	0	0	108.6	L537 I546 L547 Y549 I553 L616 I619 I626 F628	I535-L537 HydrophobicContact CG2-CD2 3.72Å; I535-L537 HydrophobicContact CG2-CG 4.35Å; I535-I546 WeakPolarHBondContact O-CA 3.48Å; I535-L547 PolarHBondContact N-O 3.06Å; I535-L547 PolarHBondContact O-N 3.48Å; I535-Y549 HydrophobicContact CD1-CD1 4.2Å; I535-Y549 HydrophobicContact CD1-CE1 4.48Å; I535-Y549 HydrophobicContact CG1-CD1 3.58Å; I535-Y549 HydrophobicContact CG1-CE1 3.58Å; I535-I553 HydrophobicContact CD1-CD1 4.2Å; I535-L616 HydrophobicContact CD1-CD2 4.35Å; I535-I619 HydrophobicContact CD1-CD1 4.01Å; I535-I626 HydrophobicContact CG2-CG2 3.42Å; I535-I626 VanDerWaalsContact CG2-CG2 3.42Å; I535-F628 HydrophobicContact CD1-CE1 4.12Å; I535-F628 HydrophobicContact CG1-CD1 4.09Å; I535-F628 HydrophobicContact CG1-CE1 3.96Å
536	I	82.2	Confident	80.3	Confident	26 Å²	26	59 Å²	59	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.1	171.6	-53.2	174.5	0	0	0	107.3	E544 I546 L627	I536-E544 HydrophobicContact CG2-CB 4.18Å; I536-I546 HydrophobicContact CG1-CG1 4.49Å; I536-L627 HydrophobicContact CB-CB 4.34Å; I536-L627 PolarHBondContact N-O 2.83Å; I536-L627 PolarHBondContact O-N 3.4Å
537	L	80.8	Confident	80.1	Confident	20 Å²	20	60 Å²	60	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110	178.2	-55.7	178.4	0	0	0	109	I535 C539 E544 K545 I619 I624 I626	I535-L537 HydrophobicContact CG2-CD2 3.72Å; I535-L537 HydrophobicContact CG2-CG 4.35Å; L537-C539 PolarHBondContact O-N 2.78Å; L537-E544 WeakPolarHBondContact O-CA 3.16Å; L537-K545 HydrophobicContact CB-CB 4.27Å; L537-K545 PolarHBondContact N-O 2.87Å; L537-K545 PolarHBondContact O-N 3.33Å; L537-I619 HydrophobicContact CD1-CG2 4.23Å; L537-I619 HydrophobicContact CD2-CG2 4.13Å; L537-I624 HydrophobicContact CB-CG2 3.85Å; L537-I624 HydrophobicContact CD2-CG2 4.25Å; L537-I626 HydrophobicContact CD2-CB 4.4Å; L537-I626 HydrophobicContact CD2-CD1 3.4Å; L537-I626 VanDerWaalsContact CD2-CD1 3.4Å; L537-I626 HydrophobicContact CD2-CG1 3.55Å; L537-I626 HydrophobicContact CD2-CG2 4.31Å
538	K	76.1	Confident	80.1	Confident	52 Å²	52	64 Å²	64	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	103.9	171.9	-80.3	175.2	174.9	176	0	110.1	E544 I624 E625 L627	K538-E544 WeakPolarHBondContact CE-OE1 3.41Å; K538-E544 HydrophobicContact CG-CG 4.04Å; K538-E544 IonicContact NZ-OE1 2.71Å; K538-I624 WeakPolarHBondContact O-CA 3.37Å; K538-E625 HydrophobicContact CB-CB 4.11Å; K538-E625 VanDerWaalsContact CD-OE2 3.29Å; K538-E625 WeakPolarHBondContact CD-OE2 3.38Å; K538-E625 PolarHBondContact N-O 3.4Å; K538-E625 IonicContact NZ-OE2 2.71Å; K538-E625 PolarHBondContact O-N 2.72Å; K538-E625 VanDerWaalsContact O-N 3.1Å; K538-L627 HydrophobicContact CD-CD1 3.71Å; K538-L627 VanDerWaalsContact CE-CD1 3.46Å; K538-L627 HydrophobicContact CG-CD1 4.43Å
539	C	71.2	Confident	80	Confident	20 Å²	20	65.4 Å²	65.4	14%	0.135	35%	0.345	C	S	.	.			trans	-77	162.4	173.6	-55.8	0	0	0	0	111.7	L537 D541 N542 S543	L537-C539 PolarHBondContact O-N 2.78Å; C539-D541 PolarHBondContact O-N 2.83Å; C539-N542 PolarHBondContact O-N 3.3Å; C539-N542 VanDerWaalsContact O-N 3.11Å; C539-S543 WeakPolarHBondContact CB-OG 3.28Å; C539-S543 PolarHBondContact N-O 3.25Å; C539-S543 VanDerWaalsContact N-O 3.16Å
540	S	71.4	Confident	79.9	Confident	65 Å²	65	63.3 Å²	63.3	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.8	-35.7	173	43.9	0	0	0	0	114.8	N542	S540-N542 PolarHBondContact O-N 2.91Å
541	D	72.4	Confident	79.8	Confident	126 Å²	126	71.2 Å²	71.2	67%	0.674	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	6.4	-168.7	-51.5	-2.5	0	0	0	112	C539 S543	C539-D541 PolarHBondContact O-N 2.83Å; D541-S543 PolarHBondContact O-N 2.72Å
542	N	68.8	Low	79.8	Confident	150 Å²	150	72.6 Å²	72.6	80%	0.802	38%	0.382	S	S	*	.	S	Bend	trans	59.7	14.4	-165	-51.8	-71.3	0	0	0	114.2	C539 S540 E544	C539-N542 PolarHBondContact O-N 3.3Å; C539-N542 VanDerWaalsContact O-N 3.11Å; S540-N542 PolarHBondContact O-N 2.91Å; N542-E544 PolarHBondContact O-N 2.81Å
543	S	73.6	Confident	80	Confident	48 Å²	48	69 Å²	69	34%	0.336	36%	0.362	S	S	.	.			trans	-76.5	119	170.3	68.5	0	0	0	0	109.9	C539 D541	C539-S543 WeakPolarHBondContact CB-OG 3.28Å; C539-S543 PolarHBondContact N-O 3.25Å; C539-S543 VanDerWaalsContact N-O 3.16Å; D541-S543 PolarHBondContact O-N 2.72Å
544	E	78.4	Confident	80.2	Confident	115 Å²	115	72.6 Å²	72.6	54%	0.537	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.5	170.9	-58.6	-167.3	149.6	0	0	109.7	I536 L537 K538 N542	I536-E544 HydrophobicContact CG2-CB 4.18Å; L537-E544 WeakPolarHBondContact O-CA 3.16Å; K538-E544 WeakPolarHBondContact CE-OE1 3.41Å; K538-E544 HydrophobicContact CG-CG 4.04Å; K538-E544 IonicContact NZ-OE1 2.71Å; N542-E544 PolarHBondContact O-N 2.81Å
545	K	77.6	Confident	80.3	Confident	124 Å²	124	71.3 Å²	71.3	54%	0.539	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.6	170.7	-64.9	173.5	-176.5	167.9	0	108.7	L537	L537-K545 HydrophobicContact CB-CB 4.27Å; L537-K545 PolarHBondContact N-O 2.87Å; L537-K545 PolarHBondContact O-N 3.33Å
546	I	82.2	Confident	80.5	Confident	117 Å²	117	71.5 Å²	71.5	60%	0.6	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.6	173.3	-53.8	178.9	0	0	0	107.9	K534 I535 I536	K534-I546 HydrophobicContact CB-CG2 4.12Å; K534-I546 HydrophobicContact CD-CG2 4.15Å; I535-I546 WeakPolarHBondContact O-CA 3.48Å; I536-I546 HydrophobicContact CG1-CG1 4.49Å
547	L	81.6	Confident	80.8	Confident	72 Å²	72	70.6 Å²	70.6	38%	0.377	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.8	178.4	-168.1	80.4	0	0	0	108.5	K534 I535 I619	K534-L547 CarbonylContact C-O 3.56Å; K534-L547 WeakPolarHBondContact CA-O 3.39Å; I535-L547 PolarHBondContact N-O 3.06Å; I535-L547 PolarHBondContact O-N 3.48Å; L547-I619 HydrophobicContact CD2-CD1 4.38Å
548	D	86.6	Confident	81.2	Confident	96 Å²	96	75.6 Å²	75.6	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	152.5	169.2	-59.2	-54.5	0	0	0	110.1	G533 K534 P550	G533-D548 CarbonylContact O-C 3.56Å; G533-D548 WeakPolarHBondContact O-CA 3.35Å; K534-D548 WeakPolarHBondContact CD-OD1 3.49Å; K534-D548 WeakPolarHBondContact CE-OD1 3.39Å; K534-D548 WeakPolarHBondContact CG-OD1 3.47Å; K534-D548 IonicContact NZ-OD1 2.62Å; K534-D548 PolarHBondContact NZ-OD1 2.95Å; K534-D548 IonicContact NZ-OD2 2.58Å; D548-P550 WeakPolarHBondContact O-CD 3.29Å
549	Y	85	Confident	81.8	Confident	30 Å²	30	73.5 Å²	73.5	12%	0.118	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-60.7	128.1	-173.8	-70.8	2.6	0	0	0	111.9	G533 I535 I553 H554 I557 F628	G533-Y549 WeakPolarHBondContact O-CD1 3.39Å; G533-Y549 PolarHBondContact O-N 3.01Å; I535-Y549 HydrophobicContact CD1-CD1 4.2Å; I535-Y549 HydrophobicContact CD1-CE1 4.48Å; I535-Y549 HydrophobicContact CG1-CD1 3.58Å; I535-Y549 HydrophobicContact CG1-CE1 3.58Å; Y549-I553 HydrophobicContact CD2-CG2 4.25Å; Y549-I553 HydrophobicContact CG-CG2 4.2Å; Y549-H554 HydrophobicContact CD2-CB 4.36Å; Y549-I557 HydrophobicContact CD2-CD1 3.76Å; Y549-I557 HydrophobicContact CE2-CD1 3.24Å; Y549-F628 AromaticContact CE1-CD1 3.85Å; Y549-F628 HydrophobicContact CE1-CD1 3.85Å; Y549-F628 HydrophobicContact CE1-CE1 4.28Å; Y549-F628 AromaticContact CZ-CD1 3.9Å; Y549-F628 WeakPolarHBondContact OH-CD1 3.48Å
550	P	85.4	Confident	82.7	Confident	47 Å²	47	72.6 Å²	72.6	31%	0.305	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-53.6	146	159.1	-23.5	34.3	0	0	0	110.2	D548 S552 I553 H554 I619	D548-P550 WeakPolarHBondContact O-CD 3.29Å; P550-S552 VanDerWaalsContact C-N 3.31Å; P550-S552 PolarHBondContact O-N 2.83Å; P550-I553 HydrophobicContact CG-CD1 4.2Å; P550-I553 PolarHBondContact O-N 3.08Å; P550-H554 PolarHBondContact O-N 2.92Å; P550-I619 HydrophobicContact CG-CD1 4.15Å
551	K	85	Confident	83.7	Confident	175 Å²	175	71.9 Å²	71.9	76%	0.761	37%	0.365	S	S	*	.	H	α-helix	trans	-52.6	-48.1	-176.2	-67.2	-173.4	177.1	-175.1	0	112.1	I553 H554 D555	K551-I553 VanDerWaalsContact C-N 3.32Å; K551-I553 PolarHBondContact O-N 2.95Å; K551-H554 CarbonylContact O-C 3.6Å; K551-H554 WeakPolarHBondContact O-CA 3.31Å; K551-H554 WeakPolarHBondContact O-CB 3.16Å; K551-H554 PolarHBondContact O-N 3.21Å; K551-D555 WeakPolarHBondContact O-CB 3.3Å; K551-D555 VanDerWaalsContact O-CG 3.24Å; K551-D555 PolarHBondContact O-N 3.01Å
552	S	84.3	Confident	84.5	Confident	52 Å²	52	72.2 Å²	72.2	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-39.7	178.6	65.8	0	0	0	0	113.2	P550 D555 N556 D615	P550-S552 VanDerWaalsContact C-N 3.31Å; P550-S552 PolarHBondContact O-N 2.83Å; S552-D555 PolarHBondContact O-N 3.05Å; S552-N556 WeakPolarHBondContact O-CB 3.41Å; S552-N556 VanDerWaalsContact O-CG 3.27Å; S552-N556 PolarHBondContact O-N 3.14Å; S552-N556 PolarHBondContact O-ND2 3.14Å; S552-D615 VanDerWaalsContact C-OD2 3.28Å; S552-D615 WeakPolarHBondContact CB-OD2 3.4Å; S552-D615 VanDerWaalsContact OG-CG 3.25Å; S552-D615 PolarHBondContact OG-OD2 2.84Å
553	I	86.6	Confident	85.4	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-41.6	174.5	-68.7	-174.7	0	0	0	111.3	I535 Y549 P550 K551 I557 F612 D615 L616 I619	I535-I553 HydrophobicContact CD1-CD1 4.2Å; Y549-I553 HydrophobicContact CD2-CG2 4.25Å; Y549-I553 HydrophobicContact CG-CG2 4.2Å; P550-I553 HydrophobicContact CG-CD1 4.2Å; P550-I553 PolarHBondContact O-N 3.08Å; K551-I553 VanDerWaalsContact C-N 3.32Å; K551-I553 PolarHBondContact O-N 2.95Å; I553-I557 HydrophobicContact CG2-CD1 3.8Å; I553-I557 WeakPolarHBondContact O-CB 3.47Å; I553-I557 WeakPolarHBondContact O-CD1 3.23Å; I553-I557 VanDerWaalsContact O-CG1 3.25Å; I553-I557 WeakPolarHBondContact O-CG1 3.28Å; I553-I557 PolarHBondContact O-N 3.18Å; I553-F612 HydrophobicContact CG2-CD2 4.29Å; I553-F612 HydrophobicContact CG2-CE2 4.12Å; I553-D615 HydrophobicContact CD1-CB 3.93Å; I553-D615 HydrophobicContact CG1-CB 3.47Å; I553-D615 VanDerWaalsContact CG1-CB 3.47Å; I553-D615 PolarHBondContact N-OD2 3.11Å; I553-L616 HydrophobicContact CD1-CD2 3.77Å; I553-L616 HydrophobicContact CD1-CG 4.23Å; I553-I619 HydrophobicContact CD1-CD1 3.52Å
554	H	86.8	Confident	86.3	Confident	96 Å²	96	62.8 Å²	62.8	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-47	175.3	179.1	81.3	0	0	0	111.6	Y549 P550 K551 I557 K558	Y549-H554 HydrophobicContact CD2-CB 4.36Å; P550-H554 PolarHBondContact O-N 2.92Å; K551-H554 CarbonylContact O-C 3.6Å; K551-H554 WeakPolarHBondContact O-CA 3.31Å; K551-H554 WeakPolarHBondContact O-CB 3.16Å; K551-H554 PolarHBondContact O-N 3.21Å; H554-I557 PolarHBondContact O-N 2.92Å; H554-K558 WeakPolarHBondContact O-CB 3.35Å; H554-K558 PolarHBondContact O-N 3.12Å
555	D	86.4	Confident	86.9	Confident	66 Å²	66	63.2 Å²	63.2	35%	0.353	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-36.4	-179.1	-62	-40	0	0	0	111.6	K551 S552 K558 G559 F744	K551-D555 WeakPolarHBondContact O-CB 3.3Å; K551-D555 VanDerWaalsContact O-CG 3.24Å; K551-D555 PolarHBondContact O-N 3.01Å; S552-D555 PolarHBondContact O-N 3.05Å; D555-K558 PolarHBondContact O-N 2.98Å; D555-G559 PolarHBondContact O-N 3.01Å; D555-F744 HydrophobicContact CB-CE1 4.14Å
556	N	88.2	Confident	87.4	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-40.6	172	-79.1	-45.8	0	0	0	112.9	S552 K558 G559 L560 H608 Y611 F612 D615	S552-N556 WeakPolarHBondContact O-CB 3.41Å; S552-N556 VanDerWaalsContact O-CG 3.27Å; S552-N556 PolarHBondContact O-N 3.14Å; S552-N556 PolarHBondContact O-ND2 3.14Å; N556-K558 VanDerWaalsContact C-N 3.34Å; N556-G559 PolarHBondContact O-N 3.15Å; N556-L560 WeakPolarHBondContact O-CG 3.11Å; N556-L560 PolarHBondContact O-N 3.01Å; N556-H608 PolarHBondContact OD1-ND1 3.05Å; N556-Y611 VanDerWaalsContact ND2-CB 3.33Å; N556-Y611 WeakPolarHBondContact ND2-CB 3.26Å; N556-Y611 WeakPolarHBondContact OD1-CB 3.45Å; N556-F612 HydrophobicContact CB-CB 4.18Å; N556-D615 PolarHBondContact ND2-OD2 3.13Å; N556-D615 VanDerWaalsContact ND2-OD2 3.13Å
557	I	88.9	Confident	87.8	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-41.9	173.6	-72.4	165.7	0	0	0	110.7	L531 Y549 I553 H554 G559 L560 Q561 F612	L531-I557 HydrophobicContact CD1-CD1 4.13Å; L531-I557 HydrophobicContact CD1-CG2 4Å; Y549-I557 HydrophobicContact CD2-CD1 3.76Å; Y549-I557 HydrophobicContact CE2-CD1 3.24Å; I553-I557 HydrophobicContact CG2-CD1 3.8Å; I553-I557 WeakPolarHBondContact O-CB 3.47Å; I553-I557 WeakPolarHBondContact O-CD1 3.23Å; I553-I557 VanDerWaalsContact O-CG1 3.25Å; I553-I557 WeakPolarHBondContact O-CG1 3.28Å; I553-I557 PolarHBondContact O-N 3.18Å; H554-I557 PolarHBondContact O-N 2.92Å; I557-G559 VanDerWaalsContact C-N 3.35Å; I557-L560 WeakPolarHBondContact O-CB 3.37Å; I557-L560 PolarHBondContact O-N 3.4Å; I557-Q561 WeakPolarHBondContact O-CG 3.49Å; I557-Q561 PolarHBondContact O-N 2.96Å; I557-F612 HydrophobicContact CD1-CD2 4.49Å; I557-F612 HydrophobicContact CD1-CE2 3.85Å; I557-F612 HydrophobicContact CG1-CD2 3.99Å; I557-F612 HydrophobicContact CG1-CE2 3.71Å
558	K	89.1	Confident	88.1	Confident	125 Å²	125	50.4 Å²	50.4	54%	0.543	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-39.7	175.5	-174.6	-177	176	-169.6	0	112	H554 D555 N556 Q561 Y562	H554-K558 WeakPolarHBondContact O-CB 3.35Å; H554-K558 PolarHBondContact O-N 3.12Å; D555-K558 PolarHBondContact O-N 2.98Å; N556-K558 VanDerWaalsContact C-N 3.34Å; K558-Q561 PolarHBondContact O-N 2.7Å; K558-Y562 WeakPolarHBondContact O-CB 3.09Å; K558-Y562 PolarHBondContact O-N 3.49Å
559	G	87.5	Confident	88.2	Confident	9 Å²	9	50 Å²	50	9%	0.093	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-43.8	171.3	0	0	0	0	0	113	D555 N556 I557 Y562 T563 H608	D555-G559 PolarHBondContact O-N 3.01Å; N556-G559 PolarHBondContact O-N 3.15Å; I557-G559 VanDerWaalsContact C-N 3.35Å; G559-Y562 PolarHBondContact O-N 3.44Å; G559-T563 WeakPolarHBondContact O-CB 3.4Å; G559-T563 WeakPolarHBondContact O-CG2 3.45Å; G559-T563 PolarHBondContact O-N 2.81Å; G559-T563 PolarHBondContact O-OG1 3.2Å; G559-H608 WeakPolarHBondContact CA-NE2 3.45Å
560	L	91.9	Very high	88.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-45.1	173.8	-72.6	168.5	0	0	0	112.1	L528 N556 I557 T563 L564 F605 H608 L609 F612 L667	L528-L560 HydrophobicContact CD1-CB 4.19Å; N556-L560 WeakPolarHBondContact O-CG 3.11Å; N556-L560 PolarHBondContact O-N 3.01Å; I557-L560 WeakPolarHBondContact O-CB 3.37Å; I557-L560 PolarHBondContact O-N 3.4Å; L560-T563 PolarHBondContact O-OG1 3.38Å; L560-L564 WeakPolarHBondContact O-CB 3.49Å; L560-L564 PolarHBondContact O-N 3.16Å; L560-F605 HydrophobicContact CD2-CD2 3.7Å; L560-F605 HydrophobicContact CD2-CE1 4.39Å; L560-F605 HydrophobicContact CD2-CE2 3.58Å; L560-F605 HydrophobicContact CD2-CG 4.17Å; L560-F605 HydrophobicContact CD2-CZ 3.95Å; L560-F605 WeakPolarHBondContact CD2-O 3.49Å; L560-H608 HydrophobicContact CD2-CB 4.01Å; L560-H608 HydrophobicContact CG-CB 3.94Å; L560-L609 HydrophobicContact CD2-CB 4.06Å; L560-F612 HydrophobicContact CD1-CB 4.24Å; L560-F612 HydrophobicContact CD1-CD1 4.36Å; L560-F612 HydrophobicContact CD1-CG 4.23Å; L560-L667 HydrophobicContact CD1-CD1 4.36Å; L560-L667 HydrophobicContact CD1-CD2 4.06Å; L560-L667 HydrophobicContact CD2-CD2 4.28Å
561	Q	90.7	Very high	88.3	Confident	51 Å²	51	46.6 Å²	46.6	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-50.8	175	-73.7	166.4	-16.2	0	0	111.7	L528 I557 K558 L564 K565	L528-Q561 HydrophobicContact CB-CG 3.79Å; L528-Q561 HydrophobicContact CD1-CG 4.37Å; L528-Q561 PolarHBondContact O-NE2 2.68Å; I557-Q561 WeakPolarHBondContact O-CG 3.49Å; I557-Q561 PolarHBondContact O-N 2.96Å; K558-Q561 PolarHBondContact O-N 2.7Å; Q561-L564 PolarHBondContact O-N 3.37Å; Q561-K565 PolarHBondContact O-N 3.14Å
562	Y	89.3	Confident	88.2	Confident	133 Å²	133	39.7 Å²	39.7	52%	0.522	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-46.8	-177.8	177	-104.2	0	0	0	112.5	K558 G559 K565 R566	K558-Y562 WeakPolarHBondContact O-CB 3.09Å; K558-Y562 PolarHBondContact O-N 3.49Å; G559-Y562 PolarHBondContact O-N 3.44Å; Y562-K565 PolarHBondContact O-N 2.9Å; Y562-R566 PolarHBondContact O-N 2.96Å
563	T	89.3	Confident	88	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-42.5	178.2	51.4	0	0	0	0	112	G559 L560 K565 R566 I567 I604 F605	G559-T563 WeakPolarHBondContact O-CB 3.4Å; G559-T563 WeakPolarHBondContact O-CG2 3.45Å; G559-T563 PolarHBondContact O-N 2.81Å; G559-T563 PolarHBondContact O-OG1 3.2Å; L560-T563 PolarHBondContact O-OG1 3.38Å; T563-K565 VanDerWaalsContact C-N 3.32Å; T563-K565 PolarHBondContact O-N 2.95Å; T563-R566 PolarHBondContact O-N 3.02Å; T563-R566 VanDerWaalsContact O-N 3.13Å; T563-I567 WeakPolarHBondContact O-CG1 3.49Å; T563-I567 PolarHBondContact O-N 3.42Å; T563-I604 HydrophobicContact CG2-CB 3.63Å; T563-I604 HydrophobicContact CG2-CG2 3.41Å; T563-I604 VanDerWaalsContact CG2-CG2 3.41Å; T563-F605 WeakPolarHBondContact OG1-CD2 3.36Å
564	L	91.8	Very high	87.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-43	174.7	178.4	63.8	0	0	0	112.1	L521 L524 L528 L560 Q561 R566 I567 I568 F605	L521-L564 HydrophobicContact CB-CD1 4.06Å; L521-L564 HydrophobicContact CD2-CD1 3.69Å; L521-L564 HydrophobicContact CG-CD1 4.31Å; L524-L564 HydrophobicContact CB-CD2 4.1Å; L524-L564 HydrophobicContact CD2-CD1 4.02Å; L524-L564 HydrophobicContact CD2-CD2 3.91Å; L524-L564 HydrophobicContact CG-CD2 3.65Å; L528-L564 HydrophobicContact CD1-CD2 3.85Å; L560-L564 WeakPolarHBondContact O-CB 3.49Å; L560-L564 PolarHBondContact O-N 3.16Å; Q561-L564 PolarHBondContact O-N 3.37Å; L564-R566 PolarHBondContact O-N 3.33Å; L564-I567 PolarHBondContact O-N 3.22Å; L564-I568 HydrophobicContact CD1-CD1 4.42Å; L564-I568 HydrophobicContact CG-CD1 4.09Å; L564-I568 WeakPolarHBondContact O-CG1 3.36Å; L564-I568 PolarHBondContact O-N 2.86Å; L564-F605 HydrophobicContact CB-CD2 4.4Å; L564-F605 HydrophobicContact CB-CE2 4.28Å
565	K	91.3	Very high	87.5	Confident	124 Å²	124	37.8 Å²	37.8	54%	0.539	18%	0.183	S	C	.	.	H	α-helix	trans	-60	-44.6	175.6	-174.4	-177.3	173	-172.6	0	111.7	Q561 Y562 T563 I567 I568 E569	Q561-K565 PolarHBondContact O-N 3.14Å; Y562-K565 PolarHBondContact O-N 2.9Å; T563-K565 VanDerWaalsContact C-N 3.32Å; T563-K565 PolarHBondContact O-N 2.95Å; K565-I567 VanDerWaalsContact C-N 3.32Å; K565-I567 PolarHBondContact O-N 3.11Å; K565-I568 WeakPolarHBondContact O-CB 3.43Å; K565-I568 PolarHBondContact O-N 3.25Å; K565-I568 VanDerWaalsContact O-N 3.16Å; K565-E569 WeakPolarHBondContact CE-OE1 3.3Å; K565-E569 WeakPolarHBondContact O-CG 3.35Å; K565-E569 PolarHBondContact O-N 3.37Å
566	R	88.4	Confident	87.3	Confident	16 Å²	16	41.9 Å²	41.9	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-32.7	177.1	-67	179	68.1	-118.4	-20.2	112.5	Y562 T563 L564 F570 D601	Y562-R566 PolarHBondContact O-N 2.96Å; T563-R566 PolarHBondContact O-N 3.02Å; T563-R566 VanDerWaalsContact O-N 3.13Å; L564-R566 PolarHBondContact O-N 3.33Å; R566-F570 PolarHBondContact O-N 2.74Å; R566-D601 VanDerWaalsContact CZ-CG 3.47Å; R566-D601 IonicContact CZ-OD1 3.39Å; R566-D601 IonicContact CZ-OD2 3.69Å; R566-D601 IonicContact NH1-OD1 2.64Å; R566-D601 PolarHBondContact NH1-OD1 3.23Å; R566-D601 IonicContact NH1-OD2 3.89Å; R566-D601 IonicContact NH2-OD1 2.95Å; R566-D601 PolarHBondContact NH2-OD1 3.45Å; R566-D601 IonicContact NH2-OD2 3.68Å; R566-D601 PolarHBondContact NH2-OD2 3.13Å
567	I	89.5	Confident	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-43.6	170.4	-64.4	166.8	0	0	0	110.8	L521 T563 L564 K565 E569 F570 C571 D601 Y602 F605	L521-I567 HydrophobicContact CD1-CG2 3.72Å; T563-I567 WeakPolarHBondContact O-CG1 3.49Å; T563-I567 PolarHBondContact O-N 3.42Å; L564-I567 PolarHBondContact O-N 3.22Å; K565-I567 VanDerWaalsContact C-N 3.32Å; K565-I567 PolarHBondContact O-N 3.11Å; I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.37Å; I567-F570 PolarHBondContact O-N 2.78Å; I567-F570 VanDerWaalsContact O-N 3.16Å; I567-C571 PolarHBondContact O-N 2.82Å; I567-C571 PolarHBondContact O-SG 2.8Å; I567-D601 HydrophobicContact CG1-CB 4.16Å; I567-Y602 HydrophobicContact CD1-CD1 4.34Å; I567-Y602 HydrophobicContact CD1-CD2 4.38Å; I567-Y602 HydrophobicContact CD1-CG 4.21Å; I567-Y602 HydrophobicContact CG1-CD2 4.2Å; I567-Y602 HydrophobicContact CG1-CE2 4.26Å; I567-Y602 HydrophobicContact CG2-CE1 4.26Å; I567-Y602 HydrophobicContact CG2-CE2 3.87Å; I567-F605 HydrophobicContact CD1-CB 3.91Å; I567-F605 HydrophobicContact CD1-CD2 4.31Å; I567-F605 HydrophobicContact CD1-CG 4.11Å
568	I	89	Confident	86.2	Confident	28 Å²	28	44.3 Å²	44.3	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-41.3	176.4	-68.6	164.5	0	0	0	111.4	L521 L564 K565 C571 G572	L521-I568 HydrophobicContact CB-CD1 3.99Å; L521-I568 HydrophobicContact CB-CG1 3.59Å; L521-I568 HydrophobicContact CD1-CG1 3.96Å; L521-I568 HydrophobicContact CG-CG1 4.47Å; L564-I568 HydrophobicContact CD1-CD1 4.42Å; L564-I568 HydrophobicContact CG-CD1 4.09Å; L564-I568 WeakPolarHBondContact O-CG1 3.36Å; L564-I568 PolarHBondContact O-N 2.86Å; K565-I568 WeakPolarHBondContact O-CB 3.43Å; K565-I568 PolarHBondContact O-N 3.25Å; K565-I568 VanDerWaalsContact O-N 3.16Å; I568-C571 PolarHBondContact O-N 2.85Å; I568-G572 PolarHBondContact O-N 3.4Å
569	E	87.4	Confident	85.4	Confident	87 Å²	87	41.4 Å²	41.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-43.7	173.5	-70.9	166	-168.5	0	0	111.6	K565 I567 G572 M573	K565-E569 WeakPolarHBondContact CE-OE1 3.3Å; K565-E569 WeakPolarHBondContact O-CG 3.35Å; K565-E569 PolarHBondContact O-N 3.37Å; I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.37Å; E569-G572 PolarHBondContact O-N 2.78Å; E569-M573 PolarHBondContact O-N 2.91Å; E569-M573 VanDerWaalsContact O-N 3.09Å
570	F	86.7	Confident	84.7	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-43.3	176	176.8	-127.3	0	0	0	112.7	R566 I567 G572 M573 F574 R598 W599 Y602	R566-F570 PolarHBondContact O-N 2.74Å; I567-F570 PolarHBondContact O-N 2.78Å; I567-F570 VanDerWaalsContact O-N 3.16Å; F570-G572 PolarHBondContact O-N 3.27Å; F570-M573 PolarHBondContact O-N 2.71Å; F570-M573 VanDerWaalsContact O-N 3.16Å; F570-F574 WeakPolarHBondContact O-CB 3.47Å; F570-F574 PolarHBondContact O-N 2.63Å; F570-R598 HydrophobicContact CD1-CB 4.29Å; F570-R598 HydrophobicContact CD2-CB 3.48Å; F570-R598 VanDerWaalsContact CD2-CB 3.48Å; F570-R598 HydrophobicContact CD2-CG 3.74Å; F570-R598 HydrophobicContact CE1-CB 4.36Å; F570-R598 HydrophobicContact CE2-CB 3.57Å; F570-R598 HydrophobicContact CE2-CG 4.11Å; F570-R598 HydrophobicContact CG-CB 3.87Å; F570-R598 HydrophobicContact CG-CG 4.34Å; F570-R598 HydrophobicContact CZ-CB 4.02Å; F570-W599 HydrophobicContact CE1-CD2 4.14Å; F570-W599 HydrophobicContact CE1-CE3 4.11Å; F570-W599 HydrophobicContact CE1-CH2 4.03Å; F570-W599 HydrophobicContact CE1-CZ2 4.05Å; F570-W599 HydrophobicContact CE1-CZ3 4.07Å; F570-W599 HydrophobicContact CZ-CD2 4.24Å; F570-W599 AromaticContact CZ-CE2 3.83Å; F570-W599 HydrophobicContact CZ-CH2 4.25Å; F570-W599 AromaticContact CZ-CZ2 3.82Å; F570-W599 HydrophobicContact CZ-CZ2 3.82Å; F570-Y602 HydrophobicContact CD1-CE2 4.17Å; F570-Y602 HydrophobicContact CE1-CE2 4.35Å
571	C	85.7	Confident	83.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-36.2	172.3	-69.3	0	0	0	0	112.1	E514 Y517 I567 I568 F574 L575	E514-C571 WeakPolarHBondContact OE1-CB 3.22Å; E514-C571 PolarHBondContact OE1-SG 3.21Å; Y517-C571 WeakPolarHBondContact CE1-SG 3.18Å; I567-C571 PolarHBondContact O-N 2.82Å; I567-C571 PolarHBondContact O-SG 2.8Å; I568-C571 PolarHBondContact O-N 2.85Å; C571-F574 PolarHBondContact O-N 2.79Å; C571-L575 WeakPolarHBondContact O-CB 3.4Å; C571-L575 WeakPolarHBondContact O-CG 3.5Å; C571-L575 PolarHBondContact O-N 3.23Å
572	G	83.8	Confident	82.5	Confident	30 Å²	30	47.2 Å²	47.2	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-54.3	171.3	0	0	0	0	0	112.3	I568 E569 F570 F574 L575 E576	I568-G572 PolarHBondContact O-N 3.4Å; E569-G572 PolarHBondContact O-N 2.78Å; F570-G572 PolarHBondContact O-N 3.27Å; G572-F574 PolarHBondContact O-N 3.05Å; G572-L575 PolarHBondContact O-N 3.28Å; G572-E576 PolarHBondContact O-N 3.11Å
573	M	80.3	Confident	81.3	Confident	68 Å²	68	45.1 Å²	45.1	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-31.8	177.1	-63.1	-178.6	72.9	0	0	113.2	E569 F570 K577	E569-M573 PolarHBondContact O-N 2.91Å; E569-M573 VanDerWaalsContact O-N 3.09Å; F570-M573 PolarHBondContact O-N 2.71Å; F570-M573 VanDerWaalsContact O-N 3.16Å; M573-K577 WeakPolarHBondContact O-CG 3.46Å; M573-K577 PolarHBondContact O-N 3.45Å
574	F	81.5	Confident	80.4	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-75.4	-42.1	179.1	-172.4	-116.1	0	0	0	111.3	L510 E514 F570 C571 G572 E576 K577 L578 C591 F592 Y677	L510-F574 HydrophobicContact CD1-CE1 4.23Å; E514-F574 HydrophobicContact CG-CD1 3.89Å; E514-F574 HydrophobicContact CG-CE1 4.35Å; F570-F574 WeakPolarHBondContact O-CB 3.47Å; F570-F574 PolarHBondContact O-N 2.63Å; C571-F574 PolarHBondContact O-N 2.79Å; G572-F574 PolarHBondContact O-N 3.05Å; F574-E576 VanDerWaalsContact C-N 3.32Å; F574-E576 PolarHBondContact O-N 3.47Å; F574-K577 PolarHBondContact O-N 3.27Å; F574-L578 HydrophobicContact CD1-CD1 3.68Å; F574-L578 HydrophobicContact CD1-CG 4.44Å; F574-L578 HydrophobicContact CE1-CD1 3.47Å; F574-L578 VanDerWaalsContact CE1-CD1 3.47Å; F574-L578 HydrophobicContact CE1-CG 4.3Å; F574-L578 HydrophobicContact CE2-CD1 4.39Å; F574-L578 HydrophobicContact CE2-CD2 4.48Å; F574-L578 HydrophobicContact CE2-CG 4.36Å; F574-L578 HydrophobicContact CG-CD1 4.23Å; F574-L578 HydrophobicContact CZ-CD1 3.84Å; F574-L578 HydrophobicContact CZ-CD2 4.3Å; F574-L578 HydrophobicContact CZ-CG 4.24Å; F574-L578 WeakPolarHBondContact O-CG 3.48Å; F574-L578 PolarHBondContact O-N 3.17Å; F574-C591 HydrophobicContact CD2-CB 4Å; F574-C591 HydrophobicContact CE2-CB 3.68Å; F574-F592 HydrophobicContact CE2-CD1 4.47Å; F574-F592 HydrophobicContact CE2-CD2 4.34Å; F574-F592 HydrophobicContact CE2-CE1 4.25Å; F574-F592 HydrophobicContact CE2-CE2 4.12Å; F574-F592 HydrophobicContact CE2-CZ 4.08Å; F574-F592 AromaticContact CZ-CE1 3.91Å; F574-F592 HydrophobicContact CZ-CE1 3.91Å; F574-F592 HydrophobicContact CZ-CE2 4.04Å; F574-F592 AromaticContact CZ-CZ 3.62Å; F574-F592 HydrophobicContact CZ-CZ 3.62Å; F574-Y677 AromaticContact CE1-CE1 3.92Å; F574-Y677 HydrophobicContact CE1-CE1 3.92Å; F574-Y677 HydrophobicContact CZ-CE1 4.39Å
575	L	81.9	Confident	79.1	Confident	37 Å²	37	48.6 Å²	48.6	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-30.5	172.3	-81.9	169.1	0	0	0	113.9	E514 L515 C571 G572 P579	E514-L575 HydrophobicContact CB-CD2 3.75Å; E514-L575 HydrophobicContact CB-CG 4.23Å; E514-L575 HydrophobicContact CG-CD1 4.21Å; E514-L575 HydrophobicContact CG-CD2 3.75Å; E514-L575 HydrophobicContact CG-CG 3.65Å; L515-L575 HydrophobicContact CB-CD2 4.38Å; L515-L575 HydrophobicContact CD1-CD1 4.21Å; C571-L575 WeakPolarHBondContact O-CB 3.4Å; C571-L575 WeakPolarHBondContact O-CG 3.5Å; C571-L575 PolarHBondContact O-N 3.23Å; G572-L575 PolarHBondContact O-N 3.28Å; L575-P579 WeakPolarHBondContact O-CD 3.14Å; L575-P579 WeakPolarHBondContact O-CG 3.02Å
576	E	81.1	Confident	77.9	Confident	151 Å²	151	43.1 Å²	43.1	71%	0.706	24%	0.236	S	C	*	.	H	α-helix	trans	-73	-35	174.1	-72.8	176.9	172.3	0	0	112.3	G572 F574	G572-E576 PolarHBondContact O-N 3.11Å; F574-E576 VanDerWaalsContact C-N 3.32Å; F574-E576 PolarHBondContact O-N 3.47Å
577	K	78.1	Confident	77.1	Confident	62 Å²	62	46.5 Å²	46.5	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-82.6	-44.6	-176.7	-71.5	173.4	-177	178.3	0	113.3	M573 F574 L580 Y581	M573-K577 WeakPolarHBondContact O-CG 3.46Å; M573-K577 PolarHBondContact O-N 3.45Å; F574-K577 PolarHBondContact O-N 3.27Å; K577-L580 VanDerWaalsContact O-CB 3.3Å; K577-L580 WeakPolarHBondContact O-CB 3.39Å; K577-L580 PolarHBondContact O-N 2.82Å; K577-Y581 WeakPolarHBondContact O-CD2 3.32Å
578	L	75.9	Confident	76.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-52.1	-43.9	-174.8	-82.1	170.3	0	0	0	114.7	L507 L510 F574 L580 Y581 S582 C591	L507-L578 HydrophobicContact CD2-CD2 4.2Å; L510-L578 HydrophobicContact CD1-CD1 4.36Å; L510-L578 HydrophobicContact CD2-CD1 4.03Å; L510-L578 HydrophobicContact CD2-CD2 3.76Å; L510-L578 HydrophobicContact CG-CD1 3.77Å; L510-L578 HydrophobicContact CG-CD2 4.35Å; F574-L578 HydrophobicContact CD1-CD1 3.68Å; F574-L578 HydrophobicContact CD1-CG 4.44Å; F574-L578 HydrophobicContact CE1-CD1 3.47Å; F574-L578 VanDerWaalsContact CE1-CD1 3.47Å; F574-L578 HydrophobicContact CE1-CG 4.3Å; F574-L578 HydrophobicContact CE2-CD1 4.39Å; F574-L578 HydrophobicContact CE2-CD2 4.48Å; F574-L578 HydrophobicContact CE2-CG 4.36Å; F574-L578 HydrophobicContact CG-CD1 4.23Å; F574-L578 HydrophobicContact CZ-CD1 3.84Å; F574-L578 HydrophobicContact CZ-CD2 4.3Å; F574-L578 HydrophobicContact CZ-CG 4.24Å; F574-L578 WeakPolarHBondContact O-CG 3.48Å; F574-L578 PolarHBondContact O-N 3.17Å; L578-L580 VanDerWaalsContact C-N 3.25Å; L578-L580 PolarHBondContact O-N 3.43Å; L578-Y581 PolarHBondContact O-N 2.63Å; L578-Y581 VanDerWaalsContact O-N 3.14Å; L578-S582 PolarHBondContact O-N 2.91Å; L578-C591 HydrophobicContact CD2-CB 4.42Å
579	P	73.3	Confident	75.5	Confident	64 Å²	64	45.1 Å²	45.1	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-28.2	179.1	-25.3	36.2	0	0	0	113.9	L575 Y581 S582	L575-P579 WeakPolarHBondContact O-CD 3.14Å; L575-P579 WeakPolarHBondContact O-CG 3.02Å; P579-Y581 VanDerWaalsContact C-N 3.29Å; P579-Y581 PolarHBondContact O-N 3.49Å; P579-S582 VanDerWaalsContact O-CB 3.25Å; P579-S582 WeakPolarHBondContact O-CB 3.49Å; P579-S582 PolarHBondContact O-N 2.84Å; P579-S582 VanDerWaalsContact O-N 3.13Å; P579-S582 PolarHBondContact O-OG 2.82Å
580	L	71.1	Confident	74.9	Confident	122 Å²	122	42.8 Å²	42.8	64%	0.639	23%	0.233	S	C	*	.	H	α-helix	trans	-63.2	-40.4	176.6	-53.3	176.7	0	0	0	110.5	K577 L578 S582 S583	K577-L580 VanDerWaalsContact O-CB 3.3Å; K577-L580 WeakPolarHBondContact O-CB 3.39Å; K577-L580 PolarHBondContact O-N 2.82Å; L578-L580 VanDerWaalsContact C-N 3.25Å; L578-L580 PolarHBondContact O-N 3.43Å; L580-S582 PolarHBondContact O-N 2.86Å; L580-S583 PolarHBondContact O-N 3.05Å
581	Y	71.1	Confident	74.3	Confident	29 Å²	29	42.7 Å²	42.7	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-10.8	176.5	-66.5	-76.9	0	0	0	113.9	K577 L578 P579 S583 D584 P585 K587 E590 C591 K594	K577-Y581 WeakPolarHBondContact O-CD2 3.32Å; L578-Y581 PolarHBondContact O-N 2.63Å; L578-Y581 VanDerWaalsContact O-N 3.14Å; P579-Y581 VanDerWaalsContact C-N 3.29Å; P579-Y581 PolarHBondContact O-N 3.49Å; Y581-S583 PolarHBondContact O-N 3.1Å; Y581-D584 CarbonylContact O-C 3.18Å; Y581-D584 PolarHBondContact O-N 2.98Å; Y581-D584 VanDerWaalsContact O-N 3.13Å; Y581-P585 WeakPolarHBondContact O-CA 3.39Å; Y581-P585 VanDerWaalsContact O-N 3.09Å; Y581-K587 VanDerWaalsContact CD1-C 3.44Å; Y581-K587 HydrophobicContact CD1-CB 3.65Å; Y581-K587 WeakPolarHBondContact CD1-O 3.36Å; Y581-K587 HydrophobicContact CE1-CB 3.57Å; Y581-K587 WeakPolarHBondContact CE1-O 3.37Å; Y581-E590 HydrophobicContact CE1-CB 4.26Å; Y581-E590 WeakPolarHBondContact CE1-OE2 3.25Å; Y581-E590 WeakPolarHBondContact OH-CB 3.46Å; Y581-E590 PolarHBondContact OH-OE2 3.01Å; Y581-C591 WeakPolarHBondContact CD2-SG 3.39Å; Y581-C591 WeakPolarHBondContact CE2-SG 3.5Å; Y581-K594 PolarHBondContact OH-NZ 2.84Å
582	S	66.4	Low	74	Confident	30 Å²	30	42.7 Å²	42.7	21%	0.21	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.7	169.1	-61.5	0	0	0	0	112.8	R504 L578 P579 L580	R504-S582 WeakPolarHBondContact CD-O 3.47Å; R504-S582 PolarHBondContact NE-O 2.95Å; R504-S582 PolarHBondContact NH2-O 2.76Å; L578-S582 PolarHBondContact O-N 2.91Å; P579-S582 VanDerWaalsContact O-CB 3.25Å; P579-S582 WeakPolarHBondContact O-CB 3.49Å; P579-S582 PolarHBondContact O-N 2.84Å; P579-S582 VanDerWaalsContact O-N 3.13Å; P579-S582 PolarHBondContact O-OG 2.82Å; L580-S582 PolarHBondContact O-N 2.86Å
583	S	64.8	Low	73.7	Confident	90 Å²	90	42.4 Å²	42.4	63%	0.629	23%	0.225	S	C	*	.	S	Bend	trans	-79	-47.8	170.7	-58.5	0	0	0	0	112.5	R504 L580 Y581	R504-S583 PolarHBondContact NH2-O 3.39Å; L580-S583 PolarHBondContact O-N 3.05Å; Y581-S583 PolarHBondContact O-N 3.1Å
584	D	69	Low	73.4	Confident	66 Å²	66	44.8 Å²	44.8	35%	0.353	23%	0.234	S	C	.	.	S	Bend	trans	-123	81.7	177.3	-172	3	0	0	0	110.1	Y581 G586 K587	Y581-D584 CarbonylContact O-C 3.18Å; Y581-D584 PolarHBondContact O-N 2.98Å; Y581-D584 VanDerWaalsContact O-N 3.13Å; D584-G586 PolarHBondContact O-N 2.67Å; D584-K587 PolarHBondContact O-N 3.32Å; D584-K587 VanDerWaalsContact O-N 3.17Å; D584-K587 WeakPolarHBondContact OD2-CD 3.47Å; D584-K587 IonicContact OD2-NZ 3.55Å; D584-K587 PolarHBondContact OD2-NZ 2.94Å
585	P	64	Low	73	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.045	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.5	-18.1	-163.1	31.3	-40	0	0	0	113.4	L503 R504 L507 Y581 K587 S588	L503-P585 HydrophobicContact CB-CB 4.21Å; L503-P585 HydrophobicContact CB-CG 4.44Å; L503-P585 HydrophobicContact CD2-CB 3.83Å; L503-P585 HydrophobicContact CD2-CG 4.09Å; L503-P585 HydrophobicContact CG-CB 3.85Å; L503-P585 HydrophobicContact CG-CG 4.42Å; R504-P585 HydrophobicContact CG-CB 4.11Å; R504-P585 HydrophobicContact CG-CG 4.01Å; L507-P585 HydrophobicContact CD1-CB 3.49Å; L507-P585 VanDerWaalsContact CD1-CB 3.49Å; Y581-P585 WeakPolarHBondContact O-CA 3.39Å; Y581-P585 VanDerWaalsContact O-N 3.09Å; P585-K587 VanDerWaalsContact C-N 3.33Å; P585-S588 VanDerWaalsContact O-CB 3.3Å; P585-S588 WeakPolarHBondContact O-CB 3.23Å; P585-S588 PolarHBondContact O-N 2.81Å; P585-S588 PolarHBondContact O-OG 2.85Å
586	G	67.3	Low	72.5	Confident	8 Å²	8	46 Å²	46	8%	0.082	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-68.4	-30.3	175.5	0	0	0	0	0	113.2	D584 S588 L695	D584-G586 PolarHBondContact O-N 2.67Å; G586-S588 PolarHBondContact O-N 2.97Å; G586-L695 WeakPolarHBondContact O-CG 3.43Å
587	K	71	Confident	72.1	Confident	87 Å²	87	42 Å²	42	38%	0.378	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-79.9	-0.6	176.9	-66.2	-172.6	175.7	105.8	0	113.9	Y581 D584 P585 A589 E590	Y581-K587 VanDerWaalsContact CD1-C 3.44Å; Y581-K587 HydrophobicContact CD1-CB 3.65Å; Y581-K587 WeakPolarHBondContact CD1-O 3.36Å; Y581-K587 HydrophobicContact CE1-CB 3.57Å; Y581-K587 WeakPolarHBondContact CE1-O 3.37Å; D584-K587 PolarHBondContact O-N 3.32Å; D584-K587 VanDerWaalsContact O-N 3.17Å; D584-K587 WeakPolarHBondContact OD2-CD 3.47Å; D584-K587 IonicContact OD2-NZ 3.55Å; D584-K587 PolarHBondContact OD2-NZ 2.94Å; P585-K587 VanDerWaalsContact C-N 3.33Å; K587-A589 PolarHBondContact O-N 3.18Å; K587-A589 VanDerWaalsContact O-N 3.14Å; K587-E590 HydrophobicContact CB-CG 4.41Å; K587-E590 WeakPolarHBondContact CD-OE1 3.43Å; K587-E590 WeakPolarHBondContact O-CB 3.47Å; K587-E590 VanDerWaalsContact O-CG 3.25Å; K587-E590 WeakPolarHBondContact O-CG 3.47Å; K587-E590 PolarHBondContact O-N 3.16Å
588	S	71.5	Confident	72.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.2	-177.1	56.3	0	0	0	0	114.4	L507 P585 G586 E590 C591	L507-S588 VanDerWaalsContact CD2-CB 3.42Å; P585-S588 VanDerWaalsContact O-CB 3.3Å; P585-S588 WeakPolarHBondContact O-CB 3.23Å; P585-S588 PolarHBondContact O-N 2.81Å; P585-S588 PolarHBondContact O-OG 2.85Å; G586-S588 PolarHBondContact O-N 2.97Å; S588-E590 PolarHBondContact O-N 2.88Å; S588-C591 VanDerWaalsContact O-CB 3.3Å; S588-C591 WeakPolarHBondContact O-CB 3.42Å; S588-C591 PolarHBondContact O-N 2.72Å
589	A	72.5	Confident	72.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57	-28.9	172.8	0	0	0	0	0	113.4	K587 C591 F592 T593 N698 V699	K587-A589 PolarHBondContact O-N 3.18Å; K587-A589 VanDerWaalsContact O-N 3.14Å; A589-C591 PolarHBondContact O-N 3.25Å; A589-C591 VanDerWaalsContact O-N 3.11Å; A589-F592 WeakPolarHBondContact O-CB 3.45Å; A589-F592 PolarHBondContact O-N 3.13Å; A589-T593 PolarHBondContact O-N 3.25Å; A589-N698 HydrophobicContact CB-CB 3.92Å; A589-V699 HydrophobicContact CB-CB 4.37Å; A589-V699 HydrophobicContact CB-CG2 3.67Å
590	E	76.1	Confident	72.9	Confident	38 Å²	38	40.9 Å²	40.9	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-24.2	174.1	-64.7	175.9	-171.4	0	0	113.1	Y581 K587 S588 F592 T593 K594	Y581-E590 HydrophobicContact CE1-CB 4.26Å; Y581-E590 WeakPolarHBondContact CE1-OE2 3.25Å; Y581-E590 WeakPolarHBondContact OH-CB 3.46Å; Y581-E590 PolarHBondContact OH-OE2 3.01Å; K587-E590 HydrophobicContact CB-CG 4.41Å; K587-E590 WeakPolarHBondContact CD-OE1 3.43Å; K587-E590 WeakPolarHBondContact O-CB 3.47Å; K587-E590 VanDerWaalsContact O-CG 3.25Å; K587-E590 WeakPolarHBondContact O-CG 3.47Å; K587-E590 PolarHBondContact O-N 3.16Å; S588-E590 PolarHBondContact O-N 2.88Å; E590-F592 PolarHBondContact O-N 2.84Å; E590-T593 WeakPolarHBondContact CA-OG1 3.48Å; E590-T593 PolarHBondContact O-N 3.38Å; E590-K594 HydrophobicContact CB-CD 4.04Å; E590-K594 HydrophobicContact CB-CG 4.39Å; E590-K594 WeakPolarHBondContact O-CB 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.43Å; E590-K594 PolarHBondContact O-N 3.23Å; E590-K594 WeakPolarHBondContact OE2-CE 3.21Å; E590-K594 IonicContact OE2-NZ 3.71Å; E590-K594 PolarHBondContact OE2-NZ 3.29Å
591	C	74.7	Confident	73.6	Confident	2 Å²	2	35 Å²	35	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-32.3	174.6	-75.3	0	0	0	0	112.4	F574 L578 Y581 S588 A589	F574-C591 HydrophobicContact CD2-CB 4Å; F574-C591 HydrophobicContact CE2-CB 3.68Å; L578-C591 HydrophobicContact CD2-CB 4.42Å; Y581-C591 WeakPolarHBondContact CD2-SG 3.39Å; Y581-C591 WeakPolarHBondContact CE2-SG 3.5Å; S588-C591 VanDerWaalsContact O-CB 3.3Å; S588-C591 WeakPolarHBondContact O-CB 3.42Å; S588-C591 PolarHBondContact O-N 2.72Å; A589-C591 PolarHBondContact O-N 3.25Å; A589-C591 VanDerWaalsContact O-N 3.11Å
592	F	78.6	Confident	74.5	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-85.7	-39	-178	-60.9	-102.6	0	0	0	111.3	F574 A589 E590 W599 Y677 L681 A702 I706	F574-F592 HydrophobicContact CE2-CD1 4.47Å; F574-F592 HydrophobicContact CE2-CD2 4.34Å; F574-F592 HydrophobicContact CE2-CE1 4.25Å; F574-F592 HydrophobicContact CE2-CE2 4.12Å; F574-F592 HydrophobicContact CE2-CZ 4.08Å; F574-F592 AromaticContact CZ-CE1 3.91Å; F574-F592 HydrophobicContact CZ-CE1 3.91Å; F574-F592 HydrophobicContact CZ-CE2 4.04Å; F574-F592 AromaticContact CZ-CZ 3.62Å; F574-F592 HydrophobicContact CZ-CZ 3.62Å; A589-F592 WeakPolarHBondContact O-CB 3.45Å; A589-F592 PolarHBondContact O-N 3.13Å; E590-F592 PolarHBondContact O-N 2.84Å; F592-W599 HydrophobicContact CB-CZ2 4.19Å; F592-W599 AromaticContact CD1-CH2 3.77Å; F592-W599 HydrophobicContact CD1-CH2 3.77Å; F592-W599 AromaticContact CD1-CZ2 3.42Å; F592-W599 HydrophobicContact CD1-CZ2 3.42Å; F592-W599 VanDerWaalsContact CD1-CZ2 3.42Å; F592-W599 HydrophobicContact CE1-CH2 4.09Å; F592-W599 HydrophobicContact CE1-CZ2 4.18Å; F592-W599 HydrophobicContact CG-CZ2 4.14Å; F592-W599 PolarHBondContact O-NE1 2.76Å; F592-Y677 HydrophobicContact CE1-CD1 4.36Å; F592-Y677 HydrophobicContact CE1-CG 4.27Å; F592-L681 HydrophobicContact CD1-CD1 4.26Å; F592-L681 HydrophobicContact CD2-CD2 4.08Å; F592-L681 HydrophobicContact CE1-CD1 4.24Å; F592-L681 HydrophobicContact CE1-CD2 4.43Å; F592-L681 HydrophobicContact CE1-CG 4.45Å; F592-L681 HydrophobicContact CE2-CD2 3.86Å; F592-L681 HydrophobicContact CG-CD2 4.47Å; F592-L681 HydrophobicContact CZ-CD2 4.04Å; F592-L681 HydrophobicContact CZ-CG 4.35Å; F592-A702 HydrophobicContact CB-CB 3.46Å; F592-A702 VanDerWaalsContact CB-CB 3.46Å; F592-A702 HydrophobicContact CD1-CB 4.48Å; F592-A702 HydrophobicContact CD2-CB 4.39Å; F592-A702 HydrophobicContact CG-CB 3.91Å; F592-I706 HydrophobicContact CD1-CD1 3.84Å; F592-I706 HydrophobicContact CE1-CD1 3.95Å
593	T	77	Confident	75.5	Confident	24 Å²	24	32.2 Å²	32.2	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-83.5	-23.4	-175.8	63.3	0	0	0	0	114.2	A589 E590 T595 N698 L701 A702 Y705	A589-T593 PolarHBondContact O-N 3.25Å; E590-T593 WeakPolarHBondContact CA-OG1 3.48Å; E590-T593 PolarHBondContact O-N 3.38Å; T593-T595 VanDerWaalsContact C-N 3.3Å; T593-T595 PolarHBondContact O-N 3.12Å; T593-N698 WeakPolarHBondContact CG2-O 3.49Å; T593-N698 PolarHBondContact OG1-OD1 3.35Å; T593-L701 HydrophobicContact CG2-CB 3.79Å; T593-A702 HydrophobicContact CG2-CB 4.37Å; T593-Y705 HydrophobicContact CG2-CD2 4.32Å; T593-Y705 HydrophobicContact CG2-CE2 4.1Å
594	K	74.6	Confident	76.5	Confident	117 Å²	117	28.1 Å²	28.1	51%	0.509	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.4	-176.3	-82.9	175.2	168.4	170.2	0	116.4	Y581 E590	Y581-K594 PolarHBondContact OH-NZ 2.84Å; E590-K594 HydrophobicContact CB-CD 4.04Å; E590-K594 HydrophobicContact CB-CG 4.39Å; E590-K594 WeakPolarHBondContact O-CB 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.43Å; E590-K594 PolarHBondContact O-N 3.23Å; E590-K594 WeakPolarHBondContact OE2-CE 3.21Å; E590-K594 IonicContact OE2-NZ 3.71Å; E590-K594 PolarHBondContact OE2-NZ 3.29Å
595	T	73.5	Confident	77.6	Confident	28 Å²	28	25 Å²	25	17%	0.172	12%	0.122	C	C	.	.			trans	-146.1	69.6	177.7	51	0	0	0	0	110.5	T593 D597 R598	T593-T595 VanDerWaalsContact C-N 3.3Å; T593-T595 PolarHBondContact O-N 3.12Å; T595-D597 PolarHBondContact O-N 3.3Å; T595-R598 PolarHBondContact O-N 3.44Å
596	P	71.5	Confident	78.9	Confident	39 Å²	39	25 Å²	25	25%	0.253	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-61.3	-43.5	-171.8	24.9	-32.5	0	0	0	111.8	R598 W599 Y705	P596-R598 PolarHBondContact O-N 3.24Å; P596-W599 WeakPolarHBondContact O-CB 3.2Å; P596-W599 PolarHBondContact O-N 2.97Å; P596-Y705 HydrophobicContact CB-CD1 4.13Å; P596-Y705 HydrophobicContact CB-CE1 3.62Å; P596-Y705 HydrophobicContact CB-CE2 4.33Å
597	D	71.5	Confident	79.8	Confident	66 Å²	66	24.6 Å²	24.6	35%	0.353	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-73.9	14.5	178.8	50.1	-75.7	0	0	0	114.8	T595 Y600 K740	T595-D597 PolarHBondContact O-N 3.3Å; D597-Y600 HydrophobicContact CB-CD2 4.45Å; D597-K740 VanDerWaalsContact C-NZ 3.3Å; D597-K740 HydrophobicContact CB-CD 4.45Å; D597-K740 WeakPolarHBondContact O-CD 3.49Å; D597-K740 PolarHBondContact O-NZ 2.89Å; D597-K740 IonicContact OD2-NZ 2.65Å; D597-K740 PolarHBondContact OD2-NZ 3.49Å
598	R	81	Confident	80.7	Confident	49 Å²	49	20.9 Å²	20.9	19%	0.185	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-92.2	-23.4	158.5	-75.2	-68.8	-174.2	172.6	3	112.4	F570 T595 P596 Y600 D601	F570-R598 HydrophobicContact CD1-CB 4.29Å; F570-R598 HydrophobicContact CD2-CB 3.48Å; F570-R598 VanDerWaalsContact CD2-CB 3.48Å; F570-R598 HydrophobicContact CD2-CG 3.74Å; F570-R598 HydrophobicContact CE1-CB 4.36Å; F570-R598 HydrophobicContact CE2-CB 3.57Å; F570-R598 HydrophobicContact CE2-CG 4.11Å; F570-R598 HydrophobicContact CG-CB 3.87Å; F570-R598 HydrophobicContact CG-CG 4.34Å; F570-R598 HydrophobicContact CZ-CB 4.02Å; T595-R598 PolarHBondContact O-N 3.44Å; P596-R598 PolarHBondContact O-N 3.24Å; R598-Y600 VanDerWaalsContact C-N 3.34Å; R598-Y600 PolarHBondContact O-N 2.93Å; R598-D601 IonicContact NH1-OD2 3.81Å; R598-D601 WeakPolarHBondContact O-CB 3.31Å; R598-D601 PolarHBondContact O-N 2.9Å
599	W	82.6	Confident	81.7	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.015	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.8	-179.7	-70.1	109.5	0	0	0	112.8	F570 F592 P596 D601 Y602 L674 Y677 I706 V709	F570-W599 HydrophobicContact CE1-CD2 4.14Å; F570-W599 HydrophobicContact CE1-CE3 4.11Å; F570-W599 HydrophobicContact CE1-CH2 4.03Å; F570-W599 HydrophobicContact CE1-CZ2 4.05Å; F570-W599 HydrophobicContact CE1-CZ3 4.07Å; F570-W599 HydrophobicContact CZ-CD2 4.24Å; F570-W599 AromaticContact CZ-CE2 3.83Å; F570-W599 HydrophobicContact CZ-CH2 4.25Å; F570-W599 AromaticContact CZ-CZ2 3.82Å; F570-W599 HydrophobicContact CZ-CZ2 3.82Å; F592-W599 HydrophobicContact CB-CZ2 4.19Å; F592-W599 AromaticContact CD1-CH2 3.77Å; F592-W599 HydrophobicContact CD1-CH2 3.77Å; F592-W599 AromaticContact CD1-CZ2 3.42Å; F592-W599 HydrophobicContact CD1-CZ2 3.42Å; F592-W599 VanDerWaalsContact CD1-CZ2 3.42Å; F592-W599 HydrophobicContact CE1-CH2 4.09Å; F592-W599 HydrophobicContact CE1-CZ2 4.18Å; F592-W599 HydrophobicContact CG-CZ2 4.14Å; F592-W599 PolarHBondContact O-NE1 2.76Å; P596-W599 WeakPolarHBondContact O-CB 3.2Å; P596-W599 PolarHBondContact O-N 2.97Å; W599-D601 PolarHBondContact O-N 3.33Å; W599-D601 VanDerWaalsContact O-N 3.1Å; W599-Y602 HydrophobicContact CE3-CD2 4.38Å; W599-Y602 HydrophobicContact CE3-CE2 4.33Å; W599-Y602 HydrophobicContact CZ3-CE2 4.35Å; W599-Y602 WeakPolarHBondContact O-CB 3.47Å; W599-Y602 PolarHBondContact O-N 3.21Å; W599-Y602 VanDerWaalsContact O-N 3.09Å; W599-L674 HydrophobicContact CE3-CD2 4.28Å; W599-L674 HydrophobicContact CZ3-CD2 3.98Å; W599-Y677 AromaticContact CH2-CD2 3.92Å; W599-Y677 HydrophobicContact CH2-CD2 3.92Å; W599-Y677 AromaticContact CH2-CE2 3.9Å; W599-Y677 HydrophobicContact CH2-CE2 3.9Å; W599-Y677 AromaticContact CZ3-CD2 3.85Å; W599-Y677 HydrophobicContact CZ3-CD2 3.85Å; W599-Y677 AromaticContact CZ3-CE2 3.8Å; W599-Y677 HydrophobicContact CZ3-CE2 3.8Å; W599-I706 HydrophobicContact CE3-CG1 4.37Å; W599-I706 HydrophobicContact CH2-CD1 4.49Å; W599-I706 HydrophobicContact CH2-CG1 4.29Å; W599-I706 HydrophobicContact CZ3-CG1 4.13Å; W599-V709 HydrophobicContact CB-CG2 3.54Å; W599-V709 HydrophobicContact CG-CG2 4.45Å; W599-V709 WeakPolarHBondContact O-CG2 3.49Å
600	Y	82	Confident	82.5	Confident	50 Å²	50	23.8 Å²	23.8	20%	0.196	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-15.6	173.5	-65.7	-62.7	0	0	0	114.1	D597 R598 Y602 T603 I604 L741 P751	D597-Y600 HydrophobicContact CB-CD2 4.45Å; R598-Y600 VanDerWaalsContact C-N 3.34Å; R598-Y600 PolarHBondContact O-N 2.93Å; Y600-Y602 PolarHBondContact O-N 3.22Å; Y600-T603 WeakPolarHBondContact O-CA 3.46Å; Y600-T603 VanDerWaalsContact O-CB 3.28Å; Y600-T603 WeakPolarHBondContact O-CB 3.43Å; Y600-T603 PolarHBondContact O-N 3.3Å; Y600-I604 WeakPolarHBondContact O-CG1 3.44Å; Y600-I604 PolarHBondContact O-N 2.92Å; Y600-L741 HydrophobicContact CD2-CD1 3.6Å; Y600-L741 HydrophobicContact CE2-CD1 4.36Å; Y600-L741 HydrophobicContact CG-CD1 3.92Å; Y600-L741 HydrophobicContact CG-CD2 4.47Å; Y600-P751 WeakPolarHBondContact OH-CD 3.39Å
601	D	85.8	Confident	83.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-27.6	174.7	-62.7	-19.6	0	0	0	111.5	R566 I567 R598 W599 F605	R566-D601 VanDerWaalsContact CZ-CG 3.47Å; R566-D601 IonicContact CZ-OD1 3.39Å; R566-D601 IonicContact CZ-OD2 3.69Å; R566-D601 IonicContact NH1-OD1 2.64Å; R566-D601 PolarHBondContact NH1-OD1 3.23Å; R566-D601 IonicContact NH1-OD2 3.89Å; R566-D601 IonicContact NH2-OD1 2.95Å; R566-D601 PolarHBondContact NH2-OD1 3.45Å; R566-D601 IonicContact NH2-OD2 3.68Å; R566-D601 PolarHBondContact NH2-OD2 3.13Å; I567-D601 HydrophobicContact CG1-CB 4.16Å; R598-D601 IonicContact NH1-OD2 3.81Å; R598-D601 WeakPolarHBondContact O-CB 3.31Å; R598-D601 PolarHBondContact O-N 2.9Å; W599-D601 PolarHBondContact O-N 3.33Å; W599-D601 VanDerWaalsContact O-N 3.1Å; D601-F605 WeakPolarHBondContact O-CB 3.05Å; D601-F605 PolarHBondContact O-N 2.8Å
602	Y	89.5	Confident	83.8	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.8	-37.9	167.1	-73.9	-104.6	0	0	0	112.3	Y517 I567 F570 W599 Y600 F605 F606 P670 L674	Y517-Y602 WeakPolarHBondContact CE1-OH 3.49Å; Y517-Y602 VanDerWaalsContact OH-CE1 3.31Å; Y517-Y602 WeakPolarHBondContact OH-CE1 3.3Å; Y517-Y602 PolarHBondContact OH-OH 3.37Å; I567-Y602 HydrophobicContact CD1-CD1 4.34Å; I567-Y602 HydrophobicContact CD1-CD2 4.38Å; I567-Y602 HydrophobicContact CD1-CG 4.21Å; I567-Y602 HydrophobicContact CG1-CD2 4.2Å; I567-Y602 HydrophobicContact CG1-CE2 4.26Å; I567-Y602 HydrophobicContact CG2-CE1 4.26Å; I567-Y602 HydrophobicContact CG2-CE2 3.87Å; F570-Y602 HydrophobicContact CD1-CE2 4.17Å; F570-Y602 HydrophobicContact CE1-CE2 4.35Å; W599-Y602 HydrophobicContact CE3-CD2 4.38Å; W599-Y602 HydrophobicContact CE3-CE2 4.33Å; W599-Y602 HydrophobicContact CZ3-CE2 4.35Å; W599-Y602 WeakPolarHBondContact O-CB 3.47Å; W599-Y602 PolarHBondContact O-N 3.21Å; W599-Y602 VanDerWaalsContact O-N 3.09Å; Y600-Y602 PolarHBondContact O-N 3.22Å; Y602-F605 WeakPolarHBondContact O-CB 3.43Å; Y602-F605 PolarHBondContact O-N 3.06Å; Y602-F606 HydrophobicContact CD1-CZ 4.2Å; Y602-F606 WeakPolarHBondContact O-CD2 3.08Å; Y602-F606 VanDerWaalsContact O-CG 3.28Å; Y602-F606 WeakPolarHBondContact O-CG 3.26Å; Y602-F606 PolarHBondContact O-N 3.14Å; Y602-P670 HydrophobicContact CD1-CB 3.76Å; Y602-P670 HydrophobicContact CE1-CB 3.73Å; Y602-L674 HydrophobicContact CD1-CD1 4.06Å; Y602-L674 HydrophobicContact CD1-CD2 3.92Å; Y602-L674 HydrophobicContact CD1-CG 3.98Å; Y602-L674 HydrophobicContact CE1-CD2 3.95Å; Y602-L674 HydrophobicContact CE1-CG 4.17Å; Y602-L674 HydrophobicContact CG-CD1 4.5Å; Y602-L674 HydrophobicContact CG-CD2 4.32Å
603	T	86.4	Confident	84.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-47.5	177.4	-57.1	0	0	0	0	111	Y600 F605 F606 I607 V709 C712	Y600-T603 WeakPolarHBondContact O-CA 3.46Å; Y600-T603 VanDerWaalsContact O-CB 3.28Å; Y600-T603 WeakPolarHBondContact O-CB 3.43Å; Y600-T603 PolarHBondContact O-N 3.3Å; T603-F605 VanDerWaalsContact C-N 3.34Å; T603-F605 PolarHBondContact O-N 3.01Å; T603-F606 PolarHBondContact O-N 3.26Å; T603-I607 HydrophobicContact CG2-CD1 4.08Å; T603-I607 WeakPolarHBondContact O-CG1 3.4Å; T603-I607 PolarHBondContact O-N 2.85Å; T603-V709 PolarHBondContact OG1-O 3.05Å; T603-V709 VanDerWaalsContact OG1-O 3.06Å; T603-C712 HydrophobicContact CG2-CB 4Å
604	I	86.5	Confident	84.8	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-44.3	175.5	-48.7	160.1	0	0	0	110.3	T563 Y600 F606 I607 H608 L741 L743 I748	T563-I604 HydrophobicContact CG2-CB 3.63Å; T563-I604 HydrophobicContact CG2-CG2 3.41Å; T563-I604 VanDerWaalsContact CG2-CG2 3.41Å; Y600-I604 WeakPolarHBondContact O-CG1 3.44Å; Y600-I604 PolarHBondContact O-N 2.92Å; I604-F606 PolarHBondContact O-N 3.43Å; I604-I607 PolarHBondContact O-N 2.98Å; I604-H608 PolarHBondContact O-CD2 2.97Å; I604-H608 PolarHBondContact O-N 3.49Å; I604-H608 VanDerWaalsContact O-N 3.08Å; I604-L741 HydrophobicContact CD1-CD2 4.01Å; I604-L743 HydrophobicContact CG2-CD1 3.65Å; I604-I748 HydrophobicContact CB-CD1 4.28Å; I604-I748 HydrophobicContact CG1-CD1 3.54Å
605	F	91.4	Very high	85.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-44.4	176.7	177.4	-86.4	0	0	0	112.1	L560 T563 L564 I567 D601 Y602 T603 I607 L609 L667 P670	L560-F605 HydrophobicContact CD2-CD2 3.7Å; L560-F605 HydrophobicContact CD2-CE1 4.39Å; L560-F605 HydrophobicContact CD2-CE2 3.58Å; L560-F605 HydrophobicContact CD2-CG 4.17Å; L560-F605 HydrophobicContact CD2-CZ 3.95Å; L560-F605 WeakPolarHBondContact CD2-O 3.49Å; T563-F605 WeakPolarHBondContact OG1-CD2 3.36Å; L564-F605 HydrophobicContact CB-CD2 4.4Å; L564-F605 HydrophobicContact CB-CE2 4.28Å; I567-F605 HydrophobicContact CD1-CB 3.91Å; I567-F605 HydrophobicContact CD1-CD2 4.31Å; I567-F605 HydrophobicContact CD1-CG 4.11Å; D601-F605 WeakPolarHBondContact O-CB 3.05Å; D601-F605 PolarHBondContact O-N 2.8Å; Y602-F605 WeakPolarHBondContact O-CB 3.43Å; Y602-F605 PolarHBondContact O-N 3.06Å; T603-F605 VanDerWaalsContact C-N 3.34Å; T603-F605 PolarHBondContact O-N 3.01Å; F605-I607 PolarHBondContact O-N 3.4Å; F605-L609 HydrophobicContact CE1-CD2 4.17Å; F605-L609 WeakPolarHBondContact O-CB 3.39Å; F605-L609 PolarHBondContact O-N 3.33Å; F605-L667 WeakPolarHBondContact CE1-O 3.12Å; F605-L667 HydrophobicContact CE2-CD2 4.27Å; F605-L667 HydrophobicContact CZ-CD2 3.88Å; F605-L667 WeakPolarHBondContact CZ-O 3.4Å; F605-P670 HydrophobicContact CD1-CB 4.29Å; F605-P670 HydrophobicContact CD1-CG 4.13Å; F605-P670 HydrophobicContact CE1-CB 4.16Å; F605-P670 HydrophobicContact CE1-CG 3.64Å; F605-P670 HydrophobicContact CE2-CG 4.48Å; F605-P670 HydrophobicContact CZ-CG 3.84Å
606	F	91	Very high	85.9	Confident	6 Å²	6	22.9 Å²	22.9	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-31.4	177.8	-62	-37.1	0	0	0	113.4	Y602 T603 I604 L609 N610 P670 K671 L674 V709	Y602-F606 HydrophobicContact CD1-CZ 4.2Å; Y602-F606 WeakPolarHBondContact O-CD2 3.08Å; Y602-F606 VanDerWaalsContact O-CG 3.28Å; Y602-F606 WeakPolarHBondContact O-CG 3.26Å; Y602-F606 PolarHBondContact O-N 3.14Å; T603-F606 PolarHBondContact O-N 3.26Å; I604-F606 PolarHBondContact O-N 3.43Å; F606-L609 PolarHBondContact O-N 3.08Å; F606-N610 PolarHBondContact O-N 2.9Å; F606-N610 PolarHBondContact O-ND2 3.07Å; F606-P670 HydrophobicContact CE1-CB 4.1Å; F606-P670 HydrophobicContact CZ-CB 4.32Å; F606-K671 HydrophobicContact CE1-CB 3.71Å; F606-K671 HydrophobicContact CZ-CB 3.88Å; F606-K671 HydrophobicContact CZ-CG 4.44Å; F606-L674 HydrophobicContact CE2-CD1 3.52Å; F606-L674 HydrophobicContact CZ-CD1 3.7Å; F606-V709 HydrophobicContact CE2-CG1 4.07Å
607	I	87.1	Confident	86.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-49.7	175.3	-66	159.3	0	0	0	110.1	T603 I604 F605 L609 N610 Y611 F716 I717 L743 I748	T603-I607 HydrophobicContact CG2-CD1 4.08Å; T603-I607 WeakPolarHBondContact O-CG1 3.4Å; T603-I607 PolarHBondContact O-N 2.85Å; I604-I607 PolarHBondContact O-N 2.98Å; F605-I607 PolarHBondContact O-N 3.4Å; I607-L609 VanDerWaalsContact C-N 3.28Å; I607-L609 PolarHBondContact O-N 2.58Å; I607-N610 PolarHBondContact O-N 2.97Å; I607-Y611 HydrophobicContact CG2-CD2 3.96Å; I607-Y611 HydrophobicContact CG2-CE2 3.46Å; I607-Y611 VanDerWaalsContact CG2-CE2 3.46Å; I607-Y611 PolarHBondContact O-N 2.76Å; I607-F716 HydrophobicContact CD1-CB 3.9Å; I607-F716 HydrophobicContact CD1-CD1 3.6Å; I607-F716 HydrophobicContact CD1-CD2 4.48Å; I607-F716 HydrophobicContact CD1-CE1 4.25Å; I607-F716 HydrophobicContact CD1-CG 3.73Å; I607-F716 HydrophobicContact CG1-CB 4.27Å; I607-F716 HydrophobicContact CG1-CD1 3.88Å; I607-F716 HydrophobicContact CG1-CG 4.31Å; I607-F716 HydrophobicContact CG2-CD1 3.78Å; I607-F716 HydrophobicContact CG2-CE1 3.89Å; I607-I717 HydrophobicContact CG1-CG1 4.45Å; I607-L743 HydrophobicContact CB-CD1 4.14Å; I607-L743 HydrophobicContact CG2-CD1 3.82Å; I607-L743 HydrophobicContact CG2-CD2 3.66Å; I607-L743 HydrophobicContact CG2-CG 4.41Å; I607-I748 HydrophobicContact CD1-CD1 3.69Å; I607-I748 HydrophobicContact CD1-CG1 4.45Å
608	H	89.4	Confident	86.8	Confident	10 Å²	10	29.8 Å²	29.8	5%	0.046	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-35.3	173.5	-71.8	-59.7	0	0	0	112.9	N556 G559 L560 I604 Y611 F612 F744	N556-H608 PolarHBondContact OD1-ND1 3.05Å; G559-H608 WeakPolarHBondContact CA-NE2 3.45Å; L560-H608 HydrophobicContact CD2-CB 4.01Å; L560-H608 HydrophobicContact CG-CB 3.94Å; I604-H608 PolarHBondContact O-CD2 2.97Å; I604-H608 PolarHBondContact O-N 3.49Å; I604-H608 VanDerWaalsContact O-N 3.08Å; H608-Y611 PolarHBondContact O-N 2.63Å; H608-F612 WeakPolarHBondContact O-CB 3.47Å; H608-F612 PolarHBondContact O-N 2.74Å; H608-F744 AromaticContact CE1-CE1 3.8Å; H608-F744 AromaticContact CE1-CE2 3.69Å; H608-F744 AromaticContact CE1-CZ 3.39Å; H608-F744 WeakPolarHBondContact CE1-CZ 3.49Å; H608-F744 AromaticContact ND1-CE2 3.85Å; H608-F744 AromaticContact ND1-CZ 3.5Å
609	L	92.2	Very high	86.5	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-43.3	175.9	-180	55.9	0	0	0	111.8	L560 F605 F606 I607 F612 I613 L664 L667	L560-L609 HydrophobicContact CD2-CB 4.06Å; F605-L609 HydrophobicContact CE1-CD2 4.17Å; F605-L609 WeakPolarHBondContact O-CB 3.39Å; F605-L609 PolarHBondContact O-N 3.33Å; F606-L609 PolarHBondContact O-N 3.08Å; I607-L609 VanDerWaalsContact C-N 3.28Å; I607-L609 PolarHBondContact O-N 2.58Å; L609-F612 HydrophobicContact CD1-CD1 4.44Å; L609-F612 PolarHBondContact O-N 2.96Å; L609-I613 HydrophobicContact CD1-CD1 4.12Å; L609-I613 HydrophobicContact CD1-CG1 4.48Å; L609-I613 HydrophobicContact CG-CD1 4.07Å; L609-I613 WeakPolarHBondContact O-CD1 3.43Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.3Å; L609-L664 HydrophobicContact CD1-CD2 4.22Å; L609-L667 HydrophobicContact CD1-CB 3.74Å; L609-L667 HydrophobicContact CD1-CD1 3.84Å; L609-L667 HydrophobicContact CD1-CG 4.27Å; L609-L667 HydrophobicContact CD2-CB 4.45Å
610	N	89.7	Confident	85.8	Confident	54 Å²	54	31.1 Å²	31.1	29%	0.289	16%	0.155	S	C	.	.	H	α-helix	trans	-70	-38.7	178.1	-80.4	-80.4	0	0	0	112.1	F606 I607 I613 N614 I717	F606-N610 PolarHBondContact O-N 2.9Å; F606-N610 PolarHBondContact O-ND2 3.07Å; I607-N610 PolarHBondContact O-N 2.97Å; N610-I613 PolarHBondContact O-N 3.3Å; N610-N614 WeakPolarHBondContact O-CB 3.39Å; N610-N614 PolarHBondContact O-N 2.81Å; N610-N614 PolarHBondContact O-ND2 3.26Å; N610-I717 HydrophobicContact CB-CD1 3.49Å; N610-I717 VanDerWaalsContact CB-CD1 3.49Å; N610-I717 HydrophobicContact CB-CG1 4.34Å; N610-I717 VanDerWaalsContact CG-CD1 3.49Å; N610-I717 WeakPolarHBondContact ND2-CD1 3.21Å
611	Y	88.7	Confident	84.7	Confident	42 Å²	42	34.6 Å²	34.6	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-42.6	172.2	-65.2	-28.9	0	0	0	112.5	N556 I607 H608 I613 N614 D615 F716 L721 L743 F744	N556-Y611 VanDerWaalsContact ND2-CB 3.33Å; N556-Y611 WeakPolarHBondContact ND2-CB 3.26Å; N556-Y611 WeakPolarHBondContact OD1-CB 3.45Å; I607-Y611 HydrophobicContact CG2-CD2 3.96Å; I607-Y611 HydrophobicContact CG2-CE2 3.46Å; I607-Y611 VanDerWaalsContact CG2-CE2 3.46Å; I607-Y611 PolarHBondContact O-N 2.76Å; H608-Y611 PolarHBondContact O-N 2.63Å; Y611-I613 VanDerWaalsContact C-N 3.31Å; Y611-I613 PolarHBondContact O-N 2.99Å; Y611-N614 PolarHBondContact O-N 3.4Å; Y611-D615 WeakPolarHBondContact O-CB 3.45Å; Y611-D615 PolarHBondContact O-N 2.98Å; Y611-F716 WeakPolarHBondContact OH-CE1 3.38Å; Y611-L721 HydrophobicContact CE1-CD1 3.83Å; Y611-L721 WeakPolarHBondContact OH-CD1 3.38Å; Y611-L721 WeakPolarHBondContact OH-CD2 3.4Å; Y611-L743 HydrophobicContact CE2-CD2 4.33Å; Y611-F744 AromaticContact CD2-CE2 3.91Å; Y611-F744 HydrophobicContact CD2-CE2 3.91Å; Y611-F744 AromaticContact CE2-CE2 3.85Å; Y611-F744 HydrophobicContact CE2-CE2 3.85Å
612	F	90.1	Very high	83.3	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-43.6	172.7	176.9	-112.5	0	0	0	111.9	I553 N556 I557 L560 H608 L609 L616 F628 L663 L664 L667	I553-F612 HydrophobicContact CG2-CD2 4.29Å; I553-F612 HydrophobicContact CG2-CE2 4.12Å; N556-F612 HydrophobicContact CB-CB 4.18Å; I557-F612 HydrophobicContact CD1-CD2 4.49Å; I557-F612 HydrophobicContact CD1-CE2 3.85Å; I557-F612 HydrophobicContact CG1-CD2 3.99Å; I557-F612 HydrophobicContact CG1-CE2 3.71Å; L560-F612 HydrophobicContact CD1-CB 4.24Å; L560-F612 HydrophobicContact CD1-CD1 4.36Å; L560-F612 HydrophobicContact CD1-CG 4.23Å; H608-F612 WeakPolarHBondContact O-CB 3.47Å; H608-F612 PolarHBondContact O-N 2.74Å; L609-F612 HydrophobicContact CD1-CD1 4.44Å; L609-F612 PolarHBondContact O-N 2.96Å; F612-L616 HydrophobicContact CD1-CD1 4Å; F612-L616 HydrophobicContact CD2-CD1 4.17Å; F612-L616 HydrophobicContact CE1-CD1 3.69Å; F612-L616 HydrophobicContact CE2-CD1 3.85Å; F612-L616 HydrophobicContact CE2-CG 4.5Å; F612-L616 HydrophobicContact CG-CD1 4.24Å; F612-L616 HydrophobicContact CZ-CD1 3.62Å; F612-L616 WeakPolarHBondContact O-CD1 3.46Å; F612-L616 WeakPolarHBondContact O-CG 3.07Å; F612-L616 PolarHBondContact O-N 3.34Å; F612-F628 HydrophobicContact CE2-CE1 4.31Å; F612-F628 AromaticContact CE2-CZ 3.99Å; F612-F628 HydrophobicContact CE2-CZ 3.99Å; F612-F628 HydrophobicContact CZ-CE1 4.28Å; F612-F628 HydrophobicContact CZ-CE2 4.07Å; F612-F628 AromaticContact CZ-CZ 3.6Å; F612-F628 HydrophobicContact CZ-CZ 3.6Å; F612-L663 HydrophobicContact CE1-CD2 4.12Å; F612-L663 HydrophobicContact CZ-CD2 3.78Å; F612-L664 HydrophobicContact CD1-CD2 4.37Å; F612-L664 HydrophobicContact CE1-CD2 4.26Å; F612-L667 HydrophobicContact CD1-CD1 4.04Å; F612-L667 HydrophobicContact CE1-CD1 3.72Å
613	I	88.7	Confident	81.9	Confident	51 Å²	51	48.2 Å²	48.2	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-47.1	174.5	-70	162.7	0	0	0	111.2	L609 N610 Y611 D615 L616 L617 L664	L609-I613 HydrophobicContact CD1-CD1 4.12Å; L609-I613 HydrophobicContact CD1-CG1 4.48Å; L609-I613 HydrophobicContact CG-CD1 4.07Å; L609-I613 WeakPolarHBondContact O-CD1 3.43Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.3Å; N610-I613 PolarHBondContact O-N 3.3Å; Y611-I613 VanDerWaalsContact C-N 3.31Å; Y611-I613 PolarHBondContact O-N 2.99Å; I613-D615 PolarHBondContact O-N 3.33Å; I613-L616 PolarHBondContact O-N 2.79Å; I613-L617 HydrophobicContact CG2-CD1 4.05Å; I613-L617 HydrophobicContact CG2-CG 4.49Å; I613-L617 WeakPolarHBondContact O-CG 3.15Å; I613-L617 PolarHBondContact O-N 3.31Å; I613-L664 HydrophobicContact CD1-CD2 4.1Å; I613-L664 HydrophobicContact CG1-CD2 3.74Å
614	N	86.9	Confident	81.1	Confident	68 Å²	68	50 Å²	50	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-37.6	-178	-71	-22.9	0	0	0	112.9	N610 Y611 L617 Q618	N610-N614 WeakPolarHBondContact O-CB 3.39Å; N610-N614 PolarHBondContact O-N 2.81Å; N610-N614 PolarHBondContact O-ND2 3.26Å; Y611-N614 PolarHBondContact O-N 3.4Å; N614-L617 PolarHBondContact O-N 2.85Å; N614-Q618 WeakPolarHBondContact O-CG 3.15Å; N614-Q618 PolarHBondContact O-N 2.86Å; N614-Q618 VanDerWaalsContact O-N 3.08Å
615	D	85.6	Confident	80.6	Confident	22 Å²	22	54.9 Å²	54.9	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-39.1	173.9	-73.1	-9.6	0	0	0	111.7	S552 I553 N556 Y611 I613 L617 Q618 I619	S552-D615 VanDerWaalsContact C-OD2 3.28Å; S552-D615 WeakPolarHBondContact CB-OD2 3.4Å; S552-D615 VanDerWaalsContact OG-CG 3.25Å; S552-D615 PolarHBondContact OG-OD2 2.84Å; I553-D615 HydrophobicContact CD1-CB 3.93Å; I553-D615 HydrophobicContact CG1-CB 3.47Å; I553-D615 VanDerWaalsContact CG1-CB 3.47Å; I553-D615 PolarHBondContact N-OD2 3.11Å; N556-D615 PolarHBondContact ND2-OD2 3.13Å; N556-D615 VanDerWaalsContact ND2-OD2 3.13Å; Y611-D615 WeakPolarHBondContact O-CB 3.45Å; Y611-D615 PolarHBondContact O-N 2.98Å; I613-D615 PolarHBondContact O-N 3.33Å; D615-L617 VanDerWaalsContact C-N 3.33Å; D615-Q618 WeakPolarHBondContact O-CB 3.2Å; D615-Q618 PolarHBondContact O-N 3.47Å; D615-I619 PolarHBondContact O-N 2.9Å
616	L	85.5	Confident	80	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-68.7	-32.1	174.8	-67.8	167.5	0	0	0	112.2	I535 I553 F612 I613 I619 T620 F628 I660	I535-L616 HydrophobicContact CD1-CD2 4.35Å; I553-L616 HydrophobicContact CD1-CD2 3.77Å; I553-L616 HydrophobicContact CD1-CG 4.23Å; F612-L616 HydrophobicContact CD1-CD1 4Å; F612-L616 HydrophobicContact CD2-CD1 4.17Å; F612-L616 HydrophobicContact CE1-CD1 3.69Å; F612-L616 HydrophobicContact CE2-CD1 3.85Å; F612-L616 HydrophobicContact CE2-CG 4.5Å; F612-L616 HydrophobicContact CG-CD1 4.24Å; F612-L616 HydrophobicContact CZ-CD1 3.62Å; F612-L616 WeakPolarHBondContact O-CD1 3.46Å; F612-L616 WeakPolarHBondContact O-CG 3.07Å; F612-L616 PolarHBondContact O-N 3.34Å; I613-L616 PolarHBondContact O-N 2.79Å; L616-I619 PolarHBondContact O-N 3.46Å; L616-T620 PolarHBondContact O-N 2.61Å; L616-T620 VanDerWaalsContact O-N 3.08Å; L616-T620 PolarHBondContact O-OG1 3.33Å; L616-F628 HydrophobicContact CD1-CZ 3.96Å; L616-F628 HydrophobicContact CD2-CE1 4.29Å; L616-F628 HydrophobicContact CD2-CZ 3.76Å; L616-I660 HydrophobicContact CB-CD1 4.23Å; L616-I660 HydrophobicContact CD1-CD1 3.91Å; L616-I660 HydrophobicContact CD1-CG1 4.29Å; L616-I660 HydrophobicContact CD2-CD1 4.15Å; L616-I660 HydrophobicContact CG-CD1 4.33Å
617	L	83	Confident	79.7	Confident	102 Å²	102	55 Å²	55	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-36.3	171.1	-72	171.5	0	0	0	112.1	I613 N614 D615 I619 T620	I613-L617 HydrophobicContact CG2-CD1 4.05Å; I613-L617 HydrophobicContact CG2-CG 4.49Å; I613-L617 WeakPolarHBondContact O-CG 3.15Å; I613-L617 PolarHBondContact O-N 3.31Å; N614-L617 PolarHBondContact O-N 2.85Å; D615-L617 VanDerWaalsContact C-N 3.33Å; L617-I619 VanDerWaalsContact C-N 3.26Å; L617-I619 PolarHBondContact O-N 2.69Å; L617-T620 WeakPolarHBondContact CA-OG1 2.89Å; L617-T620 PolarHBondContact O-N 2.76Å; L617-T620 VanDerWaalsContact O-N 3.1Å
618	Q	79.4	Confident	79.6	Confident	148 Å²	148	55 Å²	55	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-64.2	-29.8	172.9	-69.2	172	60.1	0	0	112.9	N614 D615	N614-Q618 WeakPolarHBondContact O-CG 3.15Å; N614-Q618 PolarHBondContact O-N 2.86Å; N614-Q618 VanDerWaalsContact O-N 3.08Å; D615-Q618 WeakPolarHBondContact O-CB 3.2Å; D615-Q618 PolarHBondContact O-N 3.47Å
619	I	75.3	Confident	79.2	Confident	41 Å²	41	55.3 Å²	55.3	21%	0.21	29%	0.286	C	S	.	.	H	α-helix	trans	-77.3	-27.2	173.2	-61.8	174.5	0	0	0	111.7	I535 L537 L547 P550 I553 D615 L616 L617 I626	I535-I619 HydrophobicContact CD1-CD1 4.01Å; L537-I619 HydrophobicContact CD1-CG2 4.23Å; L537-I619 HydrophobicContact CD2-CG2 4.13Å; L547-I619 HydrophobicContact CD2-CD1 4.38Å; P550-I619 HydrophobicContact CG-CD1 4.15Å; I553-I619 HydrophobicContact CD1-CD1 3.52Å; D615-I619 PolarHBondContact O-N 2.9Å; L616-I619 PolarHBondContact O-N 3.46Å; L617-I619 VanDerWaalsContact C-N 3.26Å; L617-I619 PolarHBondContact O-N 2.69Å; I619-I626 HydrophobicContact CG2-CD1 4.24Å
620	T	68.4	Low	78.8	Confident	41 Å²	41	55.5 Å²	55.5	25%	0.252	29%	0.286	S	S	.	.			trans	-106.8	87.9	-169.8	46.9	0	0	0	0	114	L616 L617 I626	L616-T620 PolarHBondContact O-N 2.61Å; L616-T620 VanDerWaalsContact O-N 3.08Å; L616-T620 PolarHBondContact O-OG1 3.33Å; L617-T620 WeakPolarHBondContact CA-OG1 2.89Å; L617-T620 PolarHBondContact O-N 2.76Å; L617-T620 VanDerWaalsContact O-N 3.1Å; T620-I626 HydrophobicContact CG2-CD1 3.29Å; T620-I626 HydrophobicContact CG2-CG1 4Å
621	T	58.9	Low	78	Confident	123 Å²	123	56.6 Å²	56.6	76%	0.755	30%	0.298	S	S	*	.	S	Bend	trans	-94.7	-2.7	170.6	50.7	0	0	0	0	114.1
622	Q	56.1	Low	76.9	Confident	140 Å²	140	57.5 Å²	57.5	65%	0.654	31%	0.306	S	S	*	.	S	Bend	trans	-148.3	166.9	-170.9	-63.7	-176.4	-11.2	0	0	111.6	I624	Q622-I624 HydrophobicContact CB-CD1 4.2Å; Q622-I624 HydrophobicContact CB-CG1 4.2Å; Q622-I624 PolarHBondContact O-N 3.38Å
623	N	58.8	Low	75.2	Confident	145 Å²	145	60 Å²	60	78%	0.775	32%	0.322	S	S	*	.	S	Bend	trans	-67	73.2	178	-69.4	-30.3	0	0	0	112.5
624	I	70.3	Confident	73.7	Confident	38 Å²	38	62.7 Å²	62.7	20%	0.195	34%	0.337	C	S	.	.			trans	-113.4	125.1	-176.8	-64.3	173.7	0	0	0	108.3	L537 K538 Q622 I626	L537-I624 HydrophobicContact CB-CG2 3.85Å; L537-I624 HydrophobicContact CD2-CG2 4.25Å; K538-I624 WeakPolarHBondContact O-CA 3.37Å; Q622-I624 HydrophobicContact CB-CD1 4.2Å; Q622-I624 HydrophobicContact CB-CG1 4.2Å; Q622-I624 PolarHBondContact O-N 3.38Å; I624-I626 HydrophobicContact CG2-CG1 4.31Å; I624-I626 PolarHBondContact O-N 2.85Å
625	E	75.1	Confident	71.9	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.3	170.8	176.8	-178.8	-136.2	0	0	108.7	K538 L627	K538-E625 HydrophobicContact CB-CB 4.11Å; K538-E625 VanDerWaalsContact CD-OE2 3.29Å; K538-E625 WeakPolarHBondContact CD-OE2 3.38Å; K538-E625 PolarHBondContact N-O 3.4Å; K538-E625 IonicContact NZ-OE2 2.71Å; K538-E625 PolarHBondContact O-N 2.72Å; K538-E625 VanDerWaalsContact O-N 3.1Å; E625-L627 HydrophobicContact CG-CD2 3.94Å; E625-L627 HydrophobicContact CG-CG 4.29Å
626	I	80	Confident	70.2	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.1	176.7	-60.1	-158.4	0	0	0	110.5	I535 L537 I619 T620 I624 F628 S659 I660	I535-I626 HydrophobicContact CG2-CG2 3.42Å; I535-I626 VanDerWaalsContact CG2-CG2 3.42Å; L537-I626 HydrophobicContact CD2-CB 4.4Å; L537-I626 HydrophobicContact CD2-CD1 3.4Å; L537-I626 VanDerWaalsContact CD2-CD1 3.4Å; L537-I626 HydrophobicContact CD2-CG1 3.55Å; L537-I626 HydrophobicContact CD2-CG2 4.31Å; I619-I626 HydrophobicContact CG2-CD1 4.24Å; T620-I626 HydrophobicContact CG2-CD1 3.29Å; T620-I626 HydrophobicContact CG2-CG1 4Å; I624-I626 HydrophobicContact CG2-CG1 4.31Å; I624-I626 PolarHBondContact O-N 2.85Å; I626-F628 HydrophobicContact CG2-CE2 4.47Å; I626-S659 WeakPolarHBondContact O-CA 3.3Å; I626-I660 HydrophobicContact CB-CB 4.45Å; I626-I660 HydrophobicContact CB-CD1 3.5Å; I626-I660 HydrophobicContact CB-CG1 3.77Å; I626-I660 HydrophobicContact CD1-CD1 3.89Å; I626-I660 HydrophobicContact CG1-CD1 4.02Å; I626-I660 HydrophobicContact CG2-CD1 3.67Å; I626-I660 HydrophobicContact CG2-CG1 3.74Å; I626-I660 PolarHBondContact O-N 3.23Å
627	L	83.6	Confident	68.3	Low	4 Å²	4	68.2 Å²	68.2	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.5	176.2	-50.8	173.5	0	0	0	109.3	I536 K538 E625 Y657 I658	I536-L627 HydrophobicContact CB-CB 4.34Å; I536-L627 PolarHBondContact N-O 2.83Å; I536-L627 PolarHBondContact O-N 3.4Å; K538-L627 HydrophobicContact CD-CD1 3.71Å; K538-L627 VanDerWaalsContact CE-CD1 3.46Å; K538-L627 HydrophobicContact CG-CD1 4.43Å; E625-L627 HydrophobicContact CG-CD2 3.94Å; E625-L627 HydrophobicContact CG-CG 4.29Å; L627-Y657 HydrophobicContact CB-CD2 4.3Å; L627-Y657 HydrophobicContact CB-CG 4.45Å; L627-Y657 HydrophobicContact CD1-CD2 3.74Å; L627-Y657 HydrophobicContact CD1-CE2 3.92Å; L627-Y657 HydrophobicContact CD1-CG 4.19Å; L627-Y657 HydrophobicContact CD2-CD2 4.09Å; L627-Y657 HydrophobicContact CD2-CE2 4.48Å; L627-Y657 HydrophobicContact CG-CD2 4.28Å; L627-I658 CarbonylContact C-O 3.51Å; L627-I658 WeakPolarHBondContact CA-O 3.26Å
628	F	86	Confident	66.5	Low	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138	170.5	-61.6	-87.3	0	0	0	110.2	L531 I535 Y549 F612 L616 I626 Y657 I658 I660 L663	L531-F628 HydrophobicContact CD2-CB 3.74Å; L531-F628 HydrophobicContact CD2-CG 4.41Å; I535-F628 HydrophobicContact CD1-CE1 4.12Å; I535-F628 HydrophobicContact CG1-CD1 4.09Å; I535-F628 HydrophobicContact CG1-CE1 3.96Å; Y549-F628 AromaticContact CE1-CD1 3.85Å; Y549-F628 HydrophobicContact CE1-CD1 3.85Å; Y549-F628 HydrophobicContact CE1-CE1 4.28Å; Y549-F628 AromaticContact CZ-CD1 3.9Å; Y549-F628 WeakPolarHBondContact OH-CD1 3.48Å; F612-F628 HydrophobicContact CE2-CE1 4.31Å; F612-F628 AromaticContact CE2-CZ 3.99Å; F612-F628 HydrophobicContact CE2-CZ 3.99Å; F612-F628 HydrophobicContact CZ-CE1 4.28Å; F612-F628 HydrophobicContact CZ-CE2 4.07Å; F612-F628 AromaticContact CZ-CZ 3.6Å; F612-F628 HydrophobicContact CZ-CZ 3.6Å; L616-F628 HydrophobicContact CD1-CZ 3.96Å; L616-F628 HydrophobicContact CD2-CE1 4.29Å; L616-F628 HydrophobicContact CD2-CZ 3.76Å; I626-F628 HydrophobicContact CG2-CE2 4.47Å; F628-Y657 CarbonylContact O-C 3.54Å; F628-Y657 WeakPolarHBondContact O-CA 3.25Å; F628-Y657 WeakPolarHBondContact O-CB 2.92Å; F628-I658 HydrophobicContact CB-CG2 4.08Å; F628-I658 PolarHBondContact N-O 3.46Å; F628-I658 PolarHBondContact O-N 2.94Å; F628-I660 HydrophobicContact CE2-CG1 3.65Å; F628-I660 HydrophobicContact CZ-CG1 4.23Å; F628-L663 HydrophobicContact CD2-CD2 3.55Å; F628-L663 HydrophobicContact CE2-CD2 3.52Å; F628-L663 HydrophobicContact CG-CD2 4.32Å; F628-L663 HydrophobicContact CZ-CD2 4.28Å
629	S	81.2	Confident	64.8	Low	16 Å²	16	64.2 Å²	64.2	11%	0.112	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	147.3	179.1	59.5	0	0	0	0	113	N532 K534	N532-S629 WeakPolarHBondContact CB-OG 3.48Å; N532-S629 PolarHBondContact N-O 3.08Å; K534-S629 WeakPolarHBondContact CB-OG 3.15Å; K534-S629 PolarHBondContact O-N 3.49Å; K534-S629 PolarHBondContact O-OG 2.9Å
630	L	82.5	Confident	63	Low	10 Å²	10	63.3 Å²	63.3	5%	0.052	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.7	-172.5	-64.8	163.5	0	0	0	112	S530 L531 N532 I636 N656 I658	S530-L630 CarbonylContact O-C 3.23Å; S530-L630 WeakPolarHBondContact O-CA 3.07Å; L531-L630 HydrophobicContact CD2-CD2 3.91Å; N532-L630 PolarHBondContact ND2-O 3.48Å; N532-L630 VanDerWaalsContact ND2-O 3.1Å; L630-I636 HydrophobicContact CD1-CD1 3.66Å; L630-N656 PolarHBondContact N-O 3.31Å; L630-I658 HydrophobicContact CD1-CB 4.23Å; L630-I658 HydrophobicContact CD1-CG2 4.29Å; L630-I658 HydrophobicContact CD2-CG2 4.36Å; L630-I658 HydrophobicContact CG-CG2 4.45Å
631	S	74.8	Confident	61.7	Low	77 Å²	77	67.3 Å²	67.3	54%	0.538	35%	0.351	S	S	.	.	S	Bend	trans	-76.4	-37.7	-179.8	36.5	0	0	0	0	113.3	S530 N532	S530-S631 WeakPolarHBondContact CA-OG 3.48Å; S530-S631 WeakPolarHBondContact CB-OG 3.41Å; S530-S631 PolarHBondContact O-N 3.39Å; S530-S631 PolarHBondContact O-OG 2.95Å; N532-S631 PolarHBondContact ND2-N 2.94Å; N532-S631 WeakPolarHBondContact OD1-CA 3.22Å; N532-S631 WeakPolarHBondContact OD1-CB 3.18Å; N532-S631 PolarHBondContact OD1-N 2.87Å
632	N	64	Low	60.7	Low	61 Å²	61	65.5 Å²	65.5	33%	0.326	34%	0.336	S	S	.	.			trans	-142.6	95.4	-162.7	-167	-11.8	0	0	0	112.4	N634 F635	N632-N634 PolarHBondContact O-N 3.29Å; N632-N634 WeakPolarHBondContact OD1-CB 3.24Å; N632-N634 PolarHBondContact OD1-N 3.42Å; N632-N634 PolarHBondContact OD1-ND2 2.65Å; N632-F635 HydrophobicContact CB-CD2 4.24Å; N632-F635 HydrophobicContact CB-CE2 4.42Å
633	T	55.7	Low	59.6	Low	54 Å²	54	61 Å²	61	33%	0.331	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-68.1	-12.4	-178.6	46.1	0	0	0	0	114.6	F635 I636 N656	T633-F635 PolarHBondContact O-N 3.31Å; T633-F635 VanDerWaalsContact O-N 3.16Å; T633-I636 PolarHBondContact O-N 3.01Å; T633-I636 VanDerWaalsContact O-N 3.1Å; T633-N656 VanDerWaalsContact CG2-OD1 3.25Å; T633-N656 WeakPolarHBondContact CG2-OD1 3.4Å
634	N	56.4	Low	58.7	Low	108 Å²	108	58.3 Å²	58.3	58%	0.578	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.3	-179.6	-65.9	-68.7	0	0	0	113.7	N632	N632-N634 PolarHBondContact O-N 3.29Å; N632-N634 WeakPolarHBondContact OD1-CB 3.24Å; N632-N634 PolarHBondContact OD1-N 3.42Å; N632-N634 PolarHBondContact OD1-ND2 2.65Å
635	F	49.9	Very low	57.4	Low	80 Å²	80	63.5 Å²	63.5	35%	0.351	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75	-35	175.2	-71.1	-86.9	0	0	0	112.5	D526 N632 T633 Q637 K638 S639	D526-F635 HydrophobicContact CB-CD1 3.86Å; D526-F635 HydrophobicContact CB-CE1 4.37Å; D526-F635 HydrophobicContact CB-CG 4.34Å; N632-F635 HydrophobicContact CB-CD2 4.24Å; N632-F635 HydrophobicContact CB-CE2 4.42Å; T633-F635 PolarHBondContact O-N 3.31Å; T633-F635 VanDerWaalsContact O-N 3.16Å; F635-Q637 PolarHBondContact O-N 3.5Å; F635-K638 WeakPolarHBondContact O-CB 3.3Å; F635-K638 PolarHBondContact O-N 2.73Å; F635-S639 PolarHBondContact O-N 2.89Å
636	I	48.3	Very low	55.6	Low	11 Å²	11	65.3 Å²	65.3	6%	0.056	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-39.8	-178.5	-75.6	173.4	0	0	0	112.1	L630 T633 K638 S639 T640 L652	L630-I636 HydrophobicContact CD1-CD1 3.66Å; T633-I636 PolarHBondContact O-N 3.01Å; T633-I636 VanDerWaalsContact O-N 3.1Å; I636-K638 PolarHBondContact O-N 3.41Å; I636-S639 PolarHBondContact O-N 3.39Å; I636-S639 PolarHBondContact O-OG 2.94Å; I636-T640 WeakPolarHBondContact O-CB 3.4Å; I636-T640 PolarHBondContact O-N 2.8Å; I636-T640 VanDerWaalsContact O-N 3.13Å; I636-T640 PolarHBondContact O-OG1 2.77Å; I636-L652 HydrophobicContact CD1-CD2 4.46Å; I636-L652 HydrophobicContact CG1-CD2 4.34Å; I636-L652 HydrophobicContact CG2-CB 3.82Å; I636-L652 HydrophobicContact CG2-CD2 4.02Å; I636-L652 HydrophobicContact CG2-CG 4.23Å
637	Q	46.8	Very low	53.5	Low	122 Å²	122	66.9 Å²	66.9	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-62.5	-22.4	175.9	-72.2	-171.1	-11.6	0	0	113	F635	F635-Q637 PolarHBondContact O-N 3.5Å
638	K	45.9	Very low	51.3	Low	153 Å²	153	71.1 Å²	71.1	67%	0.665	37%	0.373	S	S	*	.	H	α-helix	trans	-89.8	-40.2	175.2	-67.8	177.9	-178.2	170.3	0	112.8	F635 I636 I641	F635-K638 WeakPolarHBondContact O-CB 3.3Å; F635-K638 PolarHBondContact O-N 2.73Å; I636-K638 PolarHBondContact O-N 3.41Å; K638-I641 PolarHBondContact O-N 3.3Å
639	S	42.6	Very low	48.9	Very low	12 Å²	12	73.4 Å²	73.4	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-65.4	-40.2	-179.7	61.2	0	0	0	0	112.4	F635 I636 I641 L642	F635-S639 PolarHBondContact O-N 2.89Å; I636-S639 PolarHBondContact O-N 3.39Å; I636-S639 PolarHBondContact O-OG 2.94Å; S639-I641 PolarHBondContact O-N 3.4Å; S639-L642 PolarHBondContact O-N 2.93Å
640	T	38.1	Very low	46.9	Very low	22 Å²	22	76.6 Å²	76.6	14%	0.135	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.9	-179.6	-53.3	0	0	0	0	113.5	I636 L642 N644 P649	I636-T640 WeakPolarHBondContact O-CB 3.4Å; I636-T640 PolarHBondContact O-N 2.8Å; I636-T640 VanDerWaalsContact O-N 3.13Å; I636-T640 PolarHBondContact O-OG1 2.77Å; T640-L642 VanDerWaalsContact C-N 3.26Å; T640-L642 PolarHBondContact O-N 2.72Å; T640-N644 PolarHBondContact O-ND2 2.76Å; T640-N644 VanDerWaalsContact O-ND2 3.16Å; T640-N644 PolarHBondContact O-OD1 3.49Å; T640-P649 HydrophobicContact CG2-CB 3.46Å; T640-P649 VanDerWaalsContact CG2-CB 3.46Å
641	I	39.8	Very low	44.8	Very low	126 Å²	126	81.3 Å²	81.3	65%	0.646	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.6	-176.4	-62.1	175	0	0	0	112.7	K638 S639 N644	K638-I641 PolarHBondContact O-N 3.3Å; S639-I641 PolarHBondContact O-N 3.4Å; I641-N644 PolarHBondContact O-ND2 3.44Å
642	L	38.2	Very low	43	Very low	85 Å²	85	78.5 Å²	78.5	45%	0.445	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-28.5	-172.6	-124.1	159.7	0	0	0	113.9	S639 T640	S639-L642 PolarHBondContact O-N 2.93Å; T640-L642 VanDerWaalsContact C-N 3.26Å; T640-L642 PolarHBondContact O-N 2.72Å
643	M	33.5	Very low	42	Very low	46 Å²	46	78.9 Å²	78.9	23%	0.227	42%	0.415	C	S	.	.			trans	-96.6	16.3	-170	-63.8	-65	-77.1	0	0	115.2	N645 L646 L666 L669	M643-N645 PolarHBondContact O-N 3.01Å; M643-L646 PolarHBondContact O-N 2.72Å; M643-L666 HydrophobicContact CE-CD2 4.24Å; M643-L669 HydrophobicContact CE-CD2 4.35Å
644	N	40.3	Very low	41.5	Very low	87 Å²	87	85.2 Å²	85.2	47%	0.465	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-4.8	-168.9	-80.4	-61.8	0	0	0	117.8	T640 I641	T640-N644 PolarHBondContact O-ND2 2.76Å; T640-N644 VanDerWaalsContact O-ND2 3.16Å; T640-N644 PolarHBondContact O-OD1 3.49Å; I641-N644 PolarHBondContact O-ND2 3.44Å
645	N	43.3	Very low	41.3	Very low	148 Å²	148	80.9 Å²	80.9	79%	0.791	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-7.5	-178.1	-62.1	-13.5	0	0	0	114.3	M643	M643-N645 PolarHBondContact O-N 3.01Å
646	L	37.5	Very low	42.2	Very low	144 Å²	144	82 Å²	82	75%	0.754	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-18.3	-172.3	-79.1	171.5	0	0	0	115.5	M643	M643-L646 PolarHBondContact O-N 2.72Å
647	I	34.3	Very low	43.7	Very low	39 Å²	39	85.6 Å²	85.6	20%	0.2	44%	0.442	C	S	.	.	S	Bend	trans	-130.6	127.9	-179.6	-56.6	177.8	0	0	0	107.8	P649 L666	I647-P649 VanDerWaalsContact O-CD 3.3Å; I647-P649 WeakPolarHBondContact O-CD 3.27Å; I647-L666 HydrophobicContact CD1-CD2 4.08Å; I647-L666 HydrophobicContact CD1-CG 4.29Å
648	D	38.4	Very low	45.4	Very low	93 Å²	93	79.9 Å²	79.9	50%	0.497	42%	0.416	S	S	.	.			trans	-63.2	113.9	178.2	-173.6	-28.9	0	0	0	109.9	S650 L651	D648-S650 PolarHBondContact O-N 3.46Å; D648-S650 VanDerWaalsContact O-N 3.14Å; D648-S650 VanDerWaalsContact OD1-CB 3.23Å; D648-S650 WeakPolarHBondContact OD1-CB 3.31Å; D648-S650 PolarHBondContact OD1-N 3.21Å; D648-S650 PolarHBondContact OD1-OG 3.06Å; D648-S650 PolarHBondContact OD2-OG 3.47Å; D648-L651 HydrophobicContact CB-CD1 4.45Å; D648-L651 PolarHBondContact O-N 3.28Å
649	P	34.9	Very low	47.2	Very low	47 Å²	47	73.6 Å²	73.6	31%	0.305	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.2	-175	29.3	-36.1	0	0	0	112.5	T640 I647 L651 N653	T640-P649 HydrophobicContact CG2-CB 3.46Å; T640-P649 VanDerWaalsContact CG2-CB 3.46Å; I647-P649 VanDerWaalsContact O-CD 3.3Å; I647-P649 WeakPolarHBondContact O-CD 3.27Å; P649-L651 VanDerWaalsContact C-N 3.29Å; P649-L651 PolarHBondContact O-N 3.14Å; P649-N653 PolarHBondContact O-ND2 3.1Å
650	S	39.1	Very low	49.1	Very low	83 Å²	83	74.9 Å²	74.9	58%	0.58	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-28	177.4	69.2	0	0	0	0	113.1	D648	D648-S650 PolarHBondContact O-N 3.46Å; D648-S650 VanDerWaalsContact O-N 3.14Å; D648-S650 VanDerWaalsContact OD1-CB 3.23Å; D648-S650 WeakPolarHBondContact OD1-CB 3.31Å; D648-S650 PolarHBondContact OD1-N 3.21Å; D648-S650 PolarHBondContact OD1-OG 3.06Å; D648-S650 PolarHBondContact OD2-OG 3.47Å
651	L	38.1	Very low	51.2	Low	109 Å²	109	80.8 Å²	80.8	57%	0.571	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.5	-173.3	-71.7	173.2	0	0	0	114.8	D648 P649 C655	D648-L651 HydrophobicContact CB-CD1 4.45Å; D648-L651 PolarHBondContact O-N 3.28Å; P649-L651 VanDerWaalsContact C-N 3.29Å; P649-L651 PolarHBondContact O-N 3.14Å; L651-C655 PolarHBondContact O-SG 3.48Å
652	L	38.6	Very low	53.2	Low	18 Å²	18	76 Å²	76	9%	0.094	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-27.8	179.3	-107.1	75.3	0	0	0	113.5	I636 Q654 C655 N662	I636-L652 HydrophobicContact CD1-CD2 4.46Å; I636-L652 HydrophobicContact CG1-CD2 4.34Å; I636-L652 HydrophobicContact CG2-CB 3.82Å; I636-L652 HydrophobicContact CG2-CD2 4.02Å; I636-L652 HydrophobicContact CG2-CG 4.23Å; L652-Q654 PolarHBondContact O-N 3.04Å; L652-C655 PolarHBondContact O-N 3.21Å; L652-N662 VanDerWaalsContact CD1-ND2 3.32Å; L652-N662 WeakPolarHBondContact CD1-ND2 3.12Å
653	N	42.2	Very low	55.6	Low	70 Å²	70	72 Å²	72	37%	0.374	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.4	-161.1	-99.3	-55	0	0	0	117.3	P649	P649-N653 PolarHBondContact O-ND2 3.1Å
654	Q	45.6	Very low	58.1	Low	186 Å²	186	71.6 Å²	71.6	87%	0.869	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	12.3	178.1	-67.2	-168.5	-28.8	0	0	114.2	L652	L652-Q654 PolarHBondContact O-N 3.04Å
655	C	51.3	Low	60.2	Low	18 Å²	18	70.4 Å²	70.4	12%	0.122	37%	0.367	C	S	.	.			trans	-107.8	123.1	-166.4	-61.9	0	0	0	0	112.1	L651 L652 Y657	L651-C655 PolarHBondContact O-SG 3.48Å; L652-C655 PolarHBondContact O-N 3.21Å; C655-Y657 HydrophobicContact CB-CD1 4.17Å; C655-Y657 HydrophobicContact CB-CD2 3.84Å; C655-Y657 HydrophobicContact CB-CE1 4.03Å; C655-Y657 HydrophobicContact CB-CE2 3.67Å; C655-Y657 HydrophobicContact CB-CG 4.09Å; C655-Y657 PolarHBondContact O-N 3.26Å; C655-Y657 VanDerWaalsContact SG-CZ 3.58Å
656	N	69.6	Low	62.3	Low	104 Å²	104	64.1 Å²	64.1	56%	0.556	33%	0.334	S	S	*	.	S	Bend	trans	-72.2	23	167.9	-66	0	0	0	0	112.3	L630 T633	L630-N656 PolarHBondContact N-O 3.31Å; T633-N656 VanDerWaalsContact CG2-OD1 3.25Å; T633-N656 WeakPolarHBondContact CG2-OD1 3.4Å
657	Y	78.8	Confident	64.8	Low	85 Å²	85	57.3 Å²	57.3	33%	0.333	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150.4	-169.7	55.2	-102.3	0	0	0	112.7	L627 F628 C655	L627-Y657 HydrophobicContact CB-CD2 4.3Å; L627-Y657 HydrophobicContact CB-CG 4.45Å; L627-Y657 HydrophobicContact CD1-CD2 3.74Å; L627-Y657 HydrophobicContact CD1-CE2 3.92Å; L627-Y657 HydrophobicContact CD1-CG 4.19Å; L627-Y657 HydrophobicContact CD2-CD2 4.09Å; L627-Y657 HydrophobicContact CD2-CE2 4.48Å; L627-Y657 HydrophobicContact CG-CD2 4.28Å; F628-Y657 CarbonylContact O-C 3.54Å; F628-Y657 WeakPolarHBondContact O-CA 3.25Å; F628-Y657 WeakPolarHBondContact O-CB 2.92Å; C655-Y657 HydrophobicContact CB-CD1 4.17Å; C655-Y657 HydrophobicContact CB-CD2 3.84Å; C655-Y657 HydrophobicContact CB-CE1 4.03Å; C655-Y657 HydrophobicContact CB-CE2 3.67Å; C655-Y657 HydrophobicContact CB-CG 4.09Å; C655-Y657 PolarHBondContact O-N 3.26Å; C655-Y657 VanDerWaalsContact SG-CZ 3.58Å
658	I	83.3	Confident	67.4	Low	3 Å²	3	58 Å²	58	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.9	173.7	-173.8	169.9	0	0	0	110.4	I527 L531 L627 F628 L630 N662 L663 L666	I527-I658 HydrophobicContact CG2-CD1 4.06Å; L531-I658 HydrophobicContact CD2-CG2 4.34Å; L627-I658 CarbonylContact C-O 3.51Å; L627-I658 WeakPolarHBondContact CA-O 3.26Å; F628-I658 HydrophobicContact CB-CG2 4.08Å; F628-I658 PolarHBondContact N-O 3.46Å; F628-I658 PolarHBondContact O-N 2.94Å; L630-I658 HydrophobicContact CD1-CB 4.23Å; L630-I658 HydrophobicContact CD1-CG2 4.29Å; L630-I658 HydrophobicContact CD2-CG2 4.36Å; L630-I658 HydrophobicContact CG-CG2 4.45Å; I658-N662 HydrophobicContact CD1-CB 4.36Å; I658-N662 HydrophobicContact CG1-CB 4.06Å; I658-L663 HydrophobicContact CD1-CB 4.1Å; I658-L663 HydrophobicContact CD1-CD1 4.33Å; I658-L663 HydrophobicContact CG1-CB 4.27Å; I658-L666 HydrophobicContact CD1-CD1 4.11Å
659	S	82.8	Confident	69.9	Low	21 Å²	21	54.8 Å²	54.8	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	150.3	176.5	63	0	0	0	0	112.5	I626 K661 N662 L663	I626-S659 WeakPolarHBondContact O-CA 3.3Å; S659-K661 PolarHBondContact O-N 3.22Å; S659-K661 VanDerWaalsContact O-N 3.16Å; S659-N662 PolarHBondContact O-N 2.99Å; S659-N662 WeakPolarHBondContact OG-CB 3.03Å; S659-N662 VanDerWaalsContact OG-CG 3.29Å; S659-N662 PolarHBondContact OG-N 3Å; S659-N662 PolarHBondContact OG-OD1 3.32Å; S659-L663 PolarHBondContact O-N 3.45Å
660	I	83.9	Confident	72.6	Confident	38 Å²	38	52.6 Å²	52.6	20%	0.195	27%	0.27	C	S	.	.	H	α-helix	trans	-44.9	-47.9	170	-90.7	-175.6	0	0	0	111.7	L616 I626 F628 L663 L664	L616-I660 HydrophobicContact CB-CD1 4.23Å; L616-I660 HydrophobicContact CD1-CD1 3.91Å; L616-I660 HydrophobicContact CD1-CG1 4.29Å; L616-I660 HydrophobicContact CD2-CD1 4.15Å; L616-I660 HydrophobicContact CG-CD1 4.33Å; I626-I660 HydrophobicContact CB-CB 4.45Å; I626-I660 HydrophobicContact CB-CD1 3.5Å; I626-I660 HydrophobicContact CB-CG1 3.77Å; I626-I660 HydrophobicContact CD1-CD1 3.89Å; I626-I660 HydrophobicContact CG1-CD1 4.02Å; I626-I660 HydrophobicContact CG2-CD1 3.67Å; I626-I660 HydrophobicContact CG2-CG1 3.74Å; I626-I660 PolarHBondContact O-N 3.23Å; F628-I660 HydrophobicContact CE2-CG1 3.65Å; F628-I660 HydrophobicContact CZ-CG1 4.23Å; I660-L663 PolarHBondContact O-N 2.91Å; I660-L664 HydrophobicContact CG2-CD1 3.68Å; I660-L664 HydrophobicContact CG2-CG 4.21Å; I660-L664 WeakPolarHBondContact O-CB 3.34Å; I660-L664 WeakPolarHBondContact O-CG 3.32Å; I660-L664 PolarHBondContact O-N 3.18Å
661	K	81.2	Confident	74.9	Confident	146 Å²	146	51.3 Å²	51.3	64%	0.635	25%	0.254	S	S	*	.	H	α-helix	trans	-58.4	-56.9	-175.8	-174.3	178.9	177.6	-175.6	0	111.4	S659 L663 L664 D665	S659-K661 PolarHBondContact O-N 3.22Å; S659-K661 VanDerWaalsContact O-N 3.16Å; K661-L663 VanDerWaalsContact C-N 3.26Å; K661-L663 PolarHBondContact O-N 3.07Å; K661-L664 PolarHBondContact O-N 2.85Å; K661-D665 WeakPolarHBondContact O-CB 3.48Å; K661-D665 PolarHBondContact O-N 3.35Å
662	N	83.2	Confident	77.3	Confident	25 Å²	25	50.2 Å²	50.2	13%	0.134	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-34.9	179.3	-62.5	6.3	0	0	0	112.4	L652 I658 S659 L666	L652-N662 VanDerWaalsContact CD1-ND2 3.32Å; L652-N662 WeakPolarHBondContact CD1-ND2 3.12Å; I658-N662 HydrophobicContact CD1-CB 4.36Å; I658-N662 HydrophobicContact CG1-CB 4.06Å; S659-N662 PolarHBondContact O-N 2.99Å; S659-N662 WeakPolarHBondContact OG-CB 3.03Å; S659-N662 VanDerWaalsContact OG-CG 3.29Å; S659-N662 PolarHBondContact OG-N 3Å; S659-N662 PolarHBondContact OG-OD1 3.32Å; N662-L666 VanDerWaalsContact O-CG 3.28Å; N662-L666 WeakPolarHBondContact O-CG 3.21Å; N662-L666 PolarHBondContact O-N 3.01Å
663	L	86.9	Confident	79.8	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-44	175.9	-177.3	62	0	0	0	111.8	I527 L528 F612 F628 I658 S659 I660 K661 L666 L667	I527-L663 HydrophobicContact CG2-CD1 4.25Å; L528-L663 HydrophobicContact CD2-CD1 4.26Å; F612-L663 HydrophobicContact CE1-CD2 4.12Å; F612-L663 HydrophobicContact CZ-CD2 3.78Å; F628-L663 HydrophobicContact CD2-CD2 3.55Å; F628-L663 HydrophobicContact CE2-CD2 3.52Å; F628-L663 HydrophobicContact CG-CD2 4.32Å; F628-L663 HydrophobicContact CZ-CD2 4.28Å; I658-L663 HydrophobicContact CD1-CB 4.1Å; I658-L663 HydrophobicContact CD1-CD1 4.33Å; I658-L663 HydrophobicContact CG1-CB 4.27Å; S659-L663 PolarHBondContact O-N 3.45Å; I660-L663 PolarHBondContact O-N 2.91Å; K661-L663 VanDerWaalsContact C-N 3.26Å; K661-L663 PolarHBondContact O-N 3.07Å; L663-L666 PolarHBondContact O-N 2.82Å; L663-L667 HydrophobicContact CD1-CD1 4.27Å; L663-L667 HydrophobicContact CD1-CG 4.45Å; L663-L667 HydrophobicContact CG-CD1 3.89Å; L663-L667 HydrophobicContact CG-CG 4.5Å; L663-L667 WeakPolarHBondContact O-CB 3.16Å; L663-L667 WeakPolarHBondContact O-CG 3.11Å; L663-L667 PolarHBondContact O-N 2.58Å
664	L	87.2	Confident	81.9	Confident	39 Å²	39	46.4 Å²	46.4	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-37.2	175.5	-68.8	179.2	0	0	0	112.1	L609 F612 I613 I660 K661 L666 L667 N668	L609-L664 HydrophobicContact CD1-CD2 4.22Å; F612-L664 HydrophobicContact CD1-CD2 4.37Å; F612-L664 HydrophobicContact CE1-CD2 4.26Å; I613-L664 HydrophobicContact CD1-CD2 4.1Å; I613-L664 HydrophobicContact CG1-CD2 3.74Å; I660-L664 HydrophobicContact CG2-CD1 3.68Å; I660-L664 HydrophobicContact CG2-CG 4.21Å; I660-L664 WeakPolarHBondContact O-CB 3.34Å; I660-L664 WeakPolarHBondContact O-CG 3.32Å; I660-L664 PolarHBondContact O-N 3.18Å; K661-L664 PolarHBondContact O-N 2.85Å; L664-L666 VanDerWaalsContact C-N 3.25Å; L664-L666 PolarHBondContact O-N 3.36Å; L664-L667 HydrophobicContact CD2-CD1 4.35Å; L664-L667 PolarHBondContact O-N 3.11Å; L664-N668 WeakPolarHBondContact O-CB 3.12Å; L664-N668 PolarHBondContact O-N 3.34Å; L664-N668 PolarHBondContact O-ND2 3.34Å
665	D	84.5	Confident	83.7	Confident	61 Å²	61	43 Å²	43	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-32.7	176.6	-90.6	-47.7	0	0	0	112.7	K661 K672	K661-D665 WeakPolarHBondContact O-CB 3.48Å; K661-D665 PolarHBondContact O-N 3.35Å; D665-K672 PolarHBondContact O-NZ 2.66Å; D665-K672 VanDerWaalsContact O-NZ 3.12Å; D665-K672 IonicContact OD1-NZ 3.17Å
666	L	86.3	Confident	85.2	Confident	17 Å²	17	46 Å²	46	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-79.3	-43.9	172.1	-66.4	168.9	0	0	0	112.5	L524 I527 M643 I647 I658 N662 L663 L664 N668 L669	L524-L666 HydrophobicContact CD1-CB 4.02Å; I527-L666 HydrophobicContact CD1-CD1 3.78Å; M643-L666 HydrophobicContact CE-CD2 4.24Å; I647-L666 HydrophobicContact CD1-CD2 4.08Å; I647-L666 HydrophobicContact CD1-CG 4.29Å; I658-L666 HydrophobicContact CD1-CD1 4.11Å; N662-L666 VanDerWaalsContact O-CG 3.28Å; N662-L666 WeakPolarHBondContact O-CG 3.21Å; N662-L666 PolarHBondContact O-N 3.01Å; L663-L666 PolarHBondContact O-N 2.82Å; L664-L666 VanDerWaalsContact C-N 3.25Å; L664-L666 PolarHBondContact O-N 3.36Å; L666-N668 PolarHBondContact O-N 2.94Å; L666-L669 HydrophobicContact CD2-CD1 4.2Å; L666-L669 WeakPolarHBondContact O-CB 3.24Å; L666-L669 WeakPolarHBondContact O-CD1 3.24Å; L666-L669 WeakPolarHBondContact O-CG 3.34Å; L666-L669 PolarHBondContact O-N 3.45Å
667	L	89.9	Confident	85.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-22.8	174.9	-75.8	166.8	0	0	0	112.8	L524 L528 L560 F605 L609 F612 L663 L664 L669 P670	L524-L667 HydrophobicContact CD1-CD2 4.08Å; L524-L667 HydrophobicContact CD1-CG 4.28Å; L524-L667 HydrophobicContact CD2-CD2 4.34Å; L528-L667 HydrophobicContact CD1-CD2 4.29Å; L528-L667 HydrophobicContact CD2-CD2 4.37Å; L560-L667 HydrophobicContact CD1-CD1 4.36Å; L560-L667 HydrophobicContact CD1-CD2 4.06Å; L560-L667 HydrophobicContact CD2-CD2 4.28Å; F605-L667 WeakPolarHBondContact CE1-O 3.12Å; F605-L667 HydrophobicContact CE2-CD2 4.27Å; F605-L667 HydrophobicContact CZ-CD2 3.88Å; F605-L667 WeakPolarHBondContact CZ-O 3.4Å; L609-L667 HydrophobicContact CD1-CB 3.74Å; L609-L667 HydrophobicContact CD1-CD1 3.84Å; L609-L667 HydrophobicContact CD1-CG 4.27Å; L609-L667 HydrophobicContact CD2-CB 4.45Å; F612-L667 HydrophobicContact CD1-CD1 4.04Å; F612-L667 HydrophobicContact CE1-CD1 3.72Å; L663-L667 HydrophobicContact CD1-CD1 4.27Å; L663-L667 HydrophobicContact CD1-CG 4.45Å; L663-L667 HydrophobicContact CG-CD1 3.89Å; L663-L667 HydrophobicContact CG-CG 4.5Å; L663-L667 WeakPolarHBondContact O-CB 3.16Å; L663-L667 WeakPolarHBondContact O-CG 3.11Å; L663-L667 PolarHBondContact O-N 2.58Å; L664-L667 HydrophobicContact CD2-CD1 4.35Å; L664-L667 PolarHBondContact O-N 3.11Å; L667-L669 VanDerWaalsContact C-N 3.25Å; L667-L669 PolarHBondContact O-N 2.86Å; L667-P670 VanDerWaalsContact O-CD 3.28Å; L667-P670 WeakPolarHBondContact O-CD 3.12Å
668	N	89.5	Confident	86	Confident	54 Å²	54	39.6 Å²	39.6	29%	0.289	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.2	171.9	-84.3	-59.5	0	0	0	114.4	L664 L666 K671 K672	L664-N668 WeakPolarHBondContact O-CB 3.12Å; L664-N668 PolarHBondContact O-N 3.34Å; L664-N668 PolarHBondContact O-ND2 3.34Å; L666-N668 PolarHBondContact O-N 2.94Å; N668-K671 PolarHBondContact O-N 3.01Å; N668-K672 HydrophobicContact CB-CD 4.44Å; N668-K672 WeakPolarHBondContact O-CG 3.5Å; N668-K672 PolarHBondContact O-N 2.78Å
669	L	90.1	Very high	85.8	Confident	26 Å²	26	41.2 Å²	41.2	14%	0.136	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-43	-180	-75.5	167.9	0	0	0	113.7	A520 M643 L666 L667 K672 R673	A520-L669 HydrophobicContact CB-CD1 4.03Å; M643-L669 HydrophobicContact CE-CD2 4.35Å; L666-L669 HydrophobicContact CD2-CD1 4.2Å; L666-L669 WeakPolarHBondContact O-CB 3.24Å; L666-L669 WeakPolarHBondContact O-CD1 3.24Å; L666-L669 WeakPolarHBondContact O-CG 3.34Å; L666-L669 PolarHBondContact O-N 3.45Å; L667-L669 VanDerWaalsContact C-N 3.25Å; L667-L669 PolarHBondContact O-N 2.86Å; L669-K672 PolarHBondContact O-N 2.61Å; L669-R673 PolarHBondContact O-N 2.82Å
670	P	91.7	Very high	85.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-38.6	176.4	-24.5	37.9	0	0	0	113.5	Y517 L521 Y602 F605 F606 L667 R673 L674	Y517-P670 WeakPolarHBondContact OH-CA 3.07Å; L521-P670 HydrophobicContact CD2-CG 4.05Å; Y602-P670 HydrophobicContact CD1-CB 3.76Å; Y602-P670 HydrophobicContact CE1-CB 3.73Å; F605-P670 HydrophobicContact CD1-CB 4.29Å; F605-P670 HydrophobicContact CD1-CG 4.13Å; F605-P670 HydrophobicContact CE1-CB 4.16Å; F605-P670 HydrophobicContact CE1-CG 3.64Å; F605-P670 HydrophobicContact CE2-CG 4.48Å; F605-P670 HydrophobicContact CZ-CG 3.84Å; F606-P670 HydrophobicContact CE1-CB 4.1Å; F606-P670 HydrophobicContact CZ-CB 4.32Å; L667-P670 VanDerWaalsContact O-CD 3.28Å; L667-P670 WeakPolarHBondContact O-CD 3.12Å; P670-R673 PolarHBondContact O-N 2.86Å; P670-L674 PolarHBondContact O-N 3.3Å; P670-L674 VanDerWaalsContact O-N 3.14Å
671	K	88.6	Confident	85.2	Confident	56 Å²	56	40 Å²	40	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-41.3	175.5	-167.8	160.5	-176	161.6	0	110.6	F606 N668 R673 L674 Y675 E714	F606-K671 HydrophobicContact CE1-CB 3.71Å; F606-K671 HydrophobicContact CZ-CB 3.88Å; F606-K671 HydrophobicContact CZ-CG 4.44Å; N668-K671 PolarHBondContact O-N 3.01Å; K671-R673 PolarHBondContact O-N 3.47Å; K671-L674 PolarHBondContact O-N 2.73Å; K671-Y675 VanDerWaalsContact CE-OH 3.26Å; K671-Y675 WeakPolarHBondContact CE-OH 3.13Å; K671-Y675 HydrophobicContact CG-CE2 3.88Å; K671-Y675 WeakPolarHBondContact O-CD2 3.43Å; K671-E714 IonicContact NZ-OE1 3.51Å; K671-E714 PolarHBondContact NZ-OE1 2.86Å
672	K	88.3	Confident	85.1	Confident	86 Å²	86	36.1 Å²	36.1	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-60	-39.1	172.6	-69.4	166.4	-177.6	167.7	0	112.3	D665 N668 L669 I676	D665-K672 PolarHBondContact O-NZ 2.66Å; D665-K672 VanDerWaalsContact O-NZ 3.12Å; D665-K672 IonicContact OD1-NZ 3.17Å; N668-K672 HydrophobicContact CB-CD 4.44Å; N668-K672 WeakPolarHBondContact O-CG 3.5Å; N668-K672 PolarHBondContact O-N 2.78Å; L669-K672 PolarHBondContact O-N 2.61Å; K672-I676 PolarHBondContact O-N 2.78Å
673	R	90	Very high	84.6	Confident	8 Å²	8	37.2 Å²	37.2	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-69.6	-37.8	178.8	-169.7	69	173.7	158.8	0.2	113.4	T513 E514 Y517 L669 P670 K671 Y675 I676 Y677	T513-R673 PolarHBondContact OG1-NH1 3.36Å; T513-R673 PolarHBondContact OG1-NH2 3.08Å; E514-R673 VanDerWaalsContact CA-NH2 3.31Å; E514-R673 VanDerWaalsContact N-NH2 3.18Å; E514-R673 IonicContact OE2-CZ 2.7Å; E514-R673 VanDerWaalsContact OE2-CZ 3.29Å; E514-R673 IonicContact OE2-NE 3.37Å; E514-R673 PolarHBondContact OE2-NE 3.1Å; E514-R673 IonicContact OE2-NH2 2.63Å; E514-R673 PolarHBondContact OE2-NH2 3.25Å; Y517-R673 HydrophobicContact CD1-CG 3.78Å; Y517-R673 HydrophobicContact CD2-CB 3.96Å; Y517-R673 HydrophobicContact CD2-CG 3.99Å; Y517-R673 HydrophobicContact CE1-CB 4.1Å; Y517-R673 HydrophobicContact CE1-CG 3.62Å; Y517-R673 HydrophobicContact CE2-CB 3.49Å; Y517-R673 VanDerWaalsContact CE2-CB 3.49Å; Y517-R673 HydrophobicContact CE2-CG 3.85Å; Y517-R673 HydrophobicContact CG-CB 4.44Å; Y517-R673 HydrophobicContact CG-CG 3.95Å; L669-R673 PolarHBondContact O-N 2.82Å; P670-R673 PolarHBondContact O-N 2.86Å; K671-R673 PolarHBondContact O-N 3.47Å; R673-Y675 VanDerWaalsContact C-N 3.31Å; R673-Y675 PolarHBondContact O-N 3.34Å; R673-I676 WeakPolarHBondContact O-CA 3.34Å; R673-I676 WeakPolarHBondContact O-CB 3.39Å; R673-I676 PolarHBondContact O-N 2.94Å; R673-Y677 HydrophobicContact CG-CD2 4.28Å; R673-Y677 HydrophobicContact CG-CE1 3.97Å; R673-Y677 HydrophobicContact CG-CE2 3.67Å; R673-Y677 VanDerWaalsContact CG-CZ 3.49Å; R673-Y677 PolarHBondContact O-N 2.98Å
674	L	86.6	Confident	83.9	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-39	177.5	-67.3	-178.7	0	0	0	112.5	W599 Y602 F606 P670 K671 I676 Y677 N678 I706 V709 Q710	W599-L674 HydrophobicContact CE3-CD2 4.28Å; W599-L674 HydrophobicContact CZ3-CD2 3.98Å; Y602-L674 HydrophobicContact CD1-CD1 4.06Å; Y602-L674 HydrophobicContact CD1-CD2 3.92Å; Y602-L674 HydrophobicContact CD1-CG 3.98Å; Y602-L674 HydrophobicContact CE1-CD2 3.95Å; Y602-L674 HydrophobicContact CE1-CG 4.17Å; Y602-L674 HydrophobicContact CG-CD1 4.5Å; Y602-L674 HydrophobicContact CG-CD2 4.32Å; F606-L674 HydrophobicContact CE2-CD1 3.52Å; F606-L674 HydrophobicContact CZ-CD1 3.7Å; P670-L674 PolarHBondContact O-N 3.3Å; P670-L674 VanDerWaalsContact O-N 3.14Å; K671-L674 PolarHBondContact O-N 2.73Å; L674-I676 VanDerWaalsContact C-N 3.33Å; L674-I676 PolarHBondContact O-N 3.44Å; L674-Y677 HydrophobicContact CD2-CD2 4Å; L674-Y677 HydrophobicContact CD2-CE2 4.35Å; L674-Y677 PolarHBondContact O-N 3.33Å; L674-N678 PolarHBondContact O-N 2.95Å; L674-I706 HydrophobicContact CB-CG2 4.34Å; L674-I706 HydrophobicContact CD2-CG2 4.46Å; L674-V709 HydrophobicContact CD1-CB 4.37Å; L674-V709 HydrophobicContact CD1-CG1 3.67Å; L674-Q710 HydrophobicContact CD1-CG 3.84Å
675	Y	84	Confident	83.4	Confident	115 Å²	115	37.4 Å²	37.4	45%	0.451	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-37.8	173	-65	-58.5	0	0	0	112.5	K671 R673 N678 G679	K671-Y675 VanDerWaalsContact CE-OH 3.26Å; K671-Y675 WeakPolarHBondContact CE-OH 3.13Å; K671-Y675 HydrophobicContact CG-CE2 3.88Å; K671-Y675 WeakPolarHBondContact O-CD2 3.43Å; R673-Y675 VanDerWaalsContact C-N 3.31Å; R673-Y675 PolarHBondContact O-N 3.34Å; Y675-N678 PolarHBondContact O-N 3.4Å; Y675-G679 PolarHBondContact O-N 3.18Å
676	I	81.9	Confident	82.9	Confident	81 Å²	81	43.2 Å²	43.2	42%	0.415	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-41.9	175	-63.3	165.8	0	0	0	111	K672 R673 L674 N678 G679 L680	K672-I676 PolarHBondContact O-N 2.78Å; R673-I676 WeakPolarHBondContact O-CA 3.34Å; R673-I676 WeakPolarHBondContact O-CB 3.39Å; R673-I676 PolarHBondContact O-N 2.94Å; L674-I676 VanDerWaalsContact C-N 3.33Å; L674-I676 PolarHBondContact O-N 3.44Å; I676-N678 VanDerWaalsContact C-N 3.35Å; I676-N678 PolarHBondContact O-N 2.89Å; I676-G679 PolarHBondContact O-N 3.41Å; I676-L680 HydrophobicContact CG2-CD1 3.93Å; I676-L680 HydrophobicContact CG2-CG 4.42Å; I676-L680 WeakPolarHBondContact O-CG 3.32Å; I676-L680 PolarHBondContact O-N 3.31Å
677	Y	84.6	Confident	81.9	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-40.6	174.8	-63.6	-39.1	0	0	0	112.2	L510 E514 F574 F592 W599 R673 L674 L680 L681 I706	L510-Y677 HydrophobicContact CD1-CD1 4.35Å; L510-Y677 HydrophobicContact CD1-CE1 4.18Å; E514-Y677 VanDerWaalsContact CD-OH 3.25Å; E514-Y677 PolarHBondContact OE1-OH 2.92Å; E514-Y677 VanDerWaalsContact OE1-OH 3.11Å; E514-Y677 VanDerWaalsContact OE2-CE1 3.32Å; E514-Y677 WeakPolarHBondContact OE2-CE1 3.5Å; E514-Y677 PolarHBondContact OE2-OH 3.34Å; F574-Y677 AromaticContact CE1-CE1 3.92Å; F574-Y677 HydrophobicContact CE1-CE1 3.92Å; F574-Y677 HydrophobicContact CZ-CE1 4.39Å; F592-Y677 HydrophobicContact CE1-CD1 4.36Å; F592-Y677 HydrophobicContact CE1-CG 4.27Å; W599-Y677 AromaticContact CH2-CD2 3.92Å; W599-Y677 HydrophobicContact CH2-CD2 3.92Å; W599-Y677 AromaticContact CH2-CE2 3.9Å; W599-Y677 HydrophobicContact CH2-CE2 3.9Å; W599-Y677 AromaticContact CZ3-CD2 3.85Å; W599-Y677 HydrophobicContact CZ3-CD2 3.85Å; W599-Y677 AromaticContact CZ3-CE2 3.8Å; W599-Y677 HydrophobicContact CZ3-CE2 3.8Å; R673-Y677 HydrophobicContact CG-CD2 4.28Å; R673-Y677 HydrophobicContact CG-CE1 3.97Å; R673-Y677 HydrophobicContact CG-CE2 3.67Å; R673-Y677 VanDerWaalsContact CG-CZ 3.49Å; R673-Y677 PolarHBondContact O-N 2.98Å; L674-Y677 HydrophobicContact CD2-CD2 4Å; L674-Y677 HydrophobicContact CD2-CE2 4.35Å; L674-Y677 PolarHBondContact O-N 3.33Å; Y677-L680 PolarHBondContact O-N 2.77Å; Y677-L681 WeakPolarHBondContact O-CG 3.37Å; Y677-L681 PolarHBondContact O-N 3.35Å; Y677-I706 HydrophobicContact CG-CD1 4.5Å
678	N	81.5	Confident	80.9	Confident	52 Å²	52	46.3 Å²	46.3	28%	0.278	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-45.8	176.3	-168.1	19.6	0	0	0	111.4	L674 Y675 I676 L680 L681 N682	L674-N678 PolarHBondContact O-N 2.95Å; Y675-N678 PolarHBondContact O-N 3.4Å; I676-N678 VanDerWaalsContact C-N 3.35Å; I676-N678 PolarHBondContact O-N 2.89Å; N678-L680 VanDerWaalsContact C-N 3.35Å; N678-L680 PolarHBondContact O-N 3.05Å; N678-L681 PolarHBondContact O-N 3.05Å; N678-N682 PolarHBondContact O-N 2.96Å; N678-N682 VanDerWaalsContact O-N 3.08Å; N678-N682 PolarHBondContact O-ND2 3.32Å; N678-N682 PolarHBondContact OD1-ND2 2.85Å
679	G	78.6	Confident	79.5	Confident	37 Å²	37	51.9 Å²	51.9	38%	0.381	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-44.5	174.4	0	0	0	0	0	113	Y675 I676 N682 D683	Y675-G679 PolarHBondContact O-N 3.18Å; I676-G679 PolarHBondContact O-N 3.41Å; G679-N682 WeakPolarHBondContact O-CB 3.32Å; G679-N682 PolarHBondContact O-N 2.9Å; G679-D683 PolarHBondContact O-N 2.89Å
680	L	75.3	Confident	78.1	Confident	32 Å²	32	57.1 Å²	57.1	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-35.8	178.8	-71.5	170.2	0	0	0	113.4	L510 I676 Y677 N678 D683 I684	L510-L680 HydrophobicContact CB-CD1 4.21Å; L510-L680 HydrophobicContact CD1-CD1 3.76Å; L510-L680 HydrophobicContact CD2-CD1 4.5Å; L510-L680 HydrophobicContact CG-CD1 4.34Å; I676-L680 HydrophobicContact CG2-CD1 3.93Å; I676-L680 HydrophobicContact CG2-CG 4.42Å; I676-L680 WeakPolarHBondContact O-CG 3.32Å; I676-L680 PolarHBondContact O-N 3.31Å; Y677-L680 PolarHBondContact O-N 2.77Å; N678-L680 VanDerWaalsContact C-N 3.35Å; N678-L680 PolarHBondContact O-N 3.05Å; L680-D683 PolarHBondContact O-N 3.15Å; L680-I684 WeakPolarHBondContact O-CD1 3.14Å; L680-I684 VanDerWaalsContact O-CG1 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.49Å; L680-I684 PolarHBondContact O-N 2.93Å
681	L	79.6	Confident	76.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-39	174.5	-70.6	170.4	0	0	0	111.7	F592 Y677 N678 D683 I684 I685 V699 A702 M703 I706	F592-L681 HydrophobicContact CD1-CD1 4.26Å; F592-L681 HydrophobicContact CD2-CD2 4.08Å; F592-L681 HydrophobicContact CE1-CD1 4.24Å; F592-L681 HydrophobicContact CE1-CD2 4.43Å; F592-L681 HydrophobicContact CE1-CG 4.45Å; F592-L681 HydrophobicContact CE2-CD2 3.86Å; F592-L681 HydrophobicContact CG-CD2 4.47Å; F592-L681 HydrophobicContact CZ-CD2 4.04Å; F592-L681 HydrophobicContact CZ-CG 4.35Å; Y677-L681 WeakPolarHBondContact O-CG 3.37Å; Y677-L681 PolarHBondContact O-N 3.35Å; N678-L681 PolarHBondContact O-N 3.05Å; L681-D683 VanDerWaalsContact C-N 3.32Å; L681-D683 PolarHBondContact O-N 3.2Å; L681-I684 HydrophobicContact CD2-CD1 4.19Å; L681-I684 WeakPolarHBondContact O-CA 3.48Å; L681-I684 WeakPolarHBondContact O-CB 3.37Å; L681-I684 PolarHBondContact O-N 3.45Å; L681-I685 PolarHBondContact O-N 2.83Å; L681-V699 HydrophobicContact CB-CG1 4.12Å; L681-V699 HydrophobicContact CD2-CG1 4.09Å; L681-A702 HydrophobicContact CD1-CB 3.72Å; L681-A702 HydrophobicContact CD2-CB 3.91Å; L681-M703 HydrophobicContact CB-CG 3.57Å; L681-M703 HydrophobicContact CB-SD 3.99Å; L681-M703 HydrophobicContact CD1-CG 3.71Å; L681-M703 HydrophobicContact CG-CG 4.27Å; L681-I706 HydrophobicContact CD1-CD1 3.46Å; L681-I706 VanDerWaalsContact CD1-CD1 3.46Å
682	N	79.4	Confident	74.8	Confident	65 Å²	65	64.2 Å²	64.2	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-40.6	172.1	-79.7	-81.7	0	0	0	112.1	N678 G679 I684 I685 R686	N678-N682 PolarHBondContact O-N 2.96Å; N678-N682 VanDerWaalsContact O-N 3.08Å; N678-N682 PolarHBondContact O-ND2 3.32Å; N678-N682 PolarHBondContact OD1-ND2 2.85Å; G679-N682 WeakPolarHBondContact O-CB 3.32Å; G679-N682 PolarHBondContact O-N 2.9Å; N682-I684 VanDerWaalsContact C-N 3.34Å; N682-I685 PolarHBondContact O-N 3.21Å; N682-R686 WeakPolarHBondContact O-CG 3.41Å; N682-R686 PolarHBondContact O-N 3.4Å
683	D	71.7	Confident	73.7	Confident	48 Å²	48	64.3 Å²	64.3	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-31.7	172.5	-82.5	-31	0	0	0	113.3	G679 L680 L681 R686 Y687	G679-D683 PolarHBondContact O-N 2.89Å; L680-D683 PolarHBondContact O-N 3.15Å; L681-D683 VanDerWaalsContact C-N 3.32Å; L681-D683 PolarHBondContact O-N 3.2Å; D683-R686 PolarHBondContact O-N 3.11Å; D683-R686 WeakPolarHBondContact OD1-CD 3.32Å; D683-R686 IonicContact OD1-CZ 2.67Å; D683-R686 IonicContact OD1-NE 3.9Å; D683-R686 IonicContact OD1-NH1 3.82Å; D683-R686 PolarHBondContact OD1-NH1 3.14Å; D683-Y687 WeakPolarHBondContact O-CD2 3.27Å
684	I	73.2	Confident	72.6	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-42.5	172.8	-70.5	162.9	0	0	0	111	L503 L680 L681 N682 R686 Y687 I688 V699	L503-I684 HydrophobicContact CD1-CB 4.26Å; L503-I684 HydrophobicContact CD1-CG1 3.82Å; L503-I684 HydrophobicContact CD1-CG2 4.28Å; L680-I684 WeakPolarHBondContact O-CD1 3.14Å; L680-I684 VanDerWaalsContact O-CG1 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.49Å; L680-I684 PolarHBondContact O-N 2.93Å; L681-I684 HydrophobicContact CD2-CD1 4.19Å; L681-I684 WeakPolarHBondContact O-CA 3.48Å; L681-I684 WeakPolarHBondContact O-CB 3.37Å; L681-I684 PolarHBondContact O-N 3.45Å; N682-I684 VanDerWaalsContact C-N 3.34Å; I684-R686 VanDerWaalsContact C-N 3.33Å; I684-R686 PolarHBondContact O-N 3.29Å; I684-Y687 PolarHBondContact O-N 3.06Å; I684-Y687 VanDerWaalsContact O-N 3.16Å; I684-I688 HydrophobicContact CG2-CD1 3.5Å; I684-I688 VanDerWaalsContact CG2-CD1 3.5Å; I684-I688 HydrophobicContact CG2-CG1 4.38Å; I684-I688 WeakPolarHBondContact O-CG1 3.3Å; I684-I688 PolarHBondContact O-N 2.89Å; I684-I688 VanDerWaalsContact O-N 3.15Å; I684-V699 HydrophobicContact CG2-CG1 4.36Å; I684-V699 HydrophobicContact CG2-CG2 3.73Å
685	I	76.2	Confident	71.8	Confident	40 Å²	40	68.5 Å²	68.5	21%	0.205	34%	0.342	C	S	.	.	H	α-helix	trans	-55.8	-46.8	173.4	-64.9	-173.9	0	0	0	110.9	L681 N682 Y687 I688 K689 L696 V699 M703	L681-I685 PolarHBondContact O-N 2.83Å; N682-I685 PolarHBondContact O-N 3.21Å; I685-Y687 PolarHBondContact O-N 3.27Å; I685-I688 PolarHBondContact O-N 2.77Å; I685-K689 PolarHBondContact O-N 3.18Å; I685-K689 VanDerWaalsContact O-N 3.12Å; I685-L696 HydrophobicContact CD1-CD1 4.48Å; I685-L696 HydrophobicContact CG1-CD1 4.26Å; I685-L696 HydrophobicContact CG2-CD1 4.04Å; I685-V699 HydrophobicContact CD1-CG1 4Å; I685-V699 HydrophobicContact CG1-CB 4.12Å; I685-V699 HydrophobicContact CG1-CG1 3.42Å; I685-V699 VanDerWaalsContact CG1-CG1 3.42Å; I685-M703 HydrophobicContact CD1-SD 3.59Å; I685-M703 VanDerWaalsContact CD1-SD 3.59Å; I685-M703 HydrophobicContact CG1-SD 4.44Å
686	R	73	Confident	71.5	Confident	183 Å²	183	65.2 Å²	65.2	69%	0.691	33%	0.332	S	S	*	.	H	α-helix	trans	-55.5	-26.6	-179.9	-71.5	170.5	174.6	168.9	-6.2	113.6	N682 D683 I684	N682-R686 WeakPolarHBondContact O-CG 3.41Å; N682-R686 PolarHBondContact O-N 3.4Å; D683-R686 PolarHBondContact O-N 3.11Å; D683-R686 WeakPolarHBondContact OD1-CD 3.32Å; D683-R686 IonicContact OD1-CZ 2.67Å; D683-R686 IonicContact OD1-NE 3.9Å; D683-R686 IonicContact OD1-NH1 3.82Å; D683-R686 PolarHBondContact OD1-NH1 3.14Å; I684-R686 VanDerWaalsContact C-N 3.33Å; I684-R686 PolarHBondContact O-N 3.29Å
687	Y	66.9	Low	71.3	Confident	72 Å²	72	64.7 Å²	64.7	28%	0.282	33%	0.33	S	S	.	.	H	α-helix	trans	-96.6	-20.5	177.2	-63	-53.9	0	0	0	114.7	K502 L503 T506 D683 I684 I685	K502-Y687 HydrophobicContact CB-CD1 4.35Å; K502-Y687 HydrophobicContact CB-CE1 3.79Å; K502-Y687 HydrophobicContact CB-CE2 4.21Å; K502-Y687 HydrophobicContact CD-CE1 3.66Å; K502-Y687 HydrophobicContact CG-CE1 4.35Å; L503-Y687 HydrophobicContact CB-CD2 4.41Å; L503-Y687 HydrophobicContact CD1-CD2 3.82Å; L503-Y687 HydrophobicContact CD1-CG 4.38Å; T506-Y687 HydrophobicContact CG2-CE2 4.26Å; D683-Y687 WeakPolarHBondContact O-CD2 3.27Å; I684-Y687 PolarHBondContact O-N 3.06Å; I684-Y687 VanDerWaalsContact O-N 3.16Å; I685-Y687 PolarHBondContact O-N 3.27Å
688	I	68.3	Low	71	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-89.1	-28.3	-177.5	-71.1	174.5	0	0	0	112.7	L503 I684 I685 N690 N691 L695 L696 V699	L503-I688 HydrophobicContact CD2-CG1 4.49Å; I684-I688 HydrophobicContact CG2-CD1 3.5Å; I684-I688 VanDerWaalsContact CG2-CD1 3.5Å; I684-I688 HydrophobicContact CG2-CG1 4.38Å; I684-I688 WeakPolarHBondContact O-CG1 3.3Å; I684-I688 PolarHBondContact O-N 2.89Å; I684-I688 VanDerWaalsContact O-N 3.15Å; I685-I688 PolarHBondContact O-N 2.77Å; I688-N690 PolarHBondContact O-N 2.97Å; I688-N691 PolarHBondContact O-N 3.5Å; I688-N691 VanDerWaalsContact O-O 3.11Å; I688-L695 HydrophobicContact CD1-CB 4.34Å; I688-L695 HydrophobicContact CG2-CB 3.94Å; I688-L696 HydrophobicContact CG2-CB 4.35Å; I688-V699 HydrophobicContact CD1-CG2 3.92Å
689	K	61.2	Low	70.9	Confident	171 Å²	171	64.3 Å²	64.3	74%	0.743	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	-20.5	-171.7	-172.1	162.5	-175.5	163.6	0	117.8	I685	I685-K689 PolarHBondContact O-N 3.18Å; I685-K689 VanDerWaalsContact O-N 3.12Å
690	N	59.7	Low	70.9	Confident	135 Å²	135	65.3 Å²	65.3	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10	178.9	-76.1	49.2	0	0	0	115.8	I688	I688-N690 PolarHBondContact O-N 2.97Å
691	N	50.7	Low	71	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.364	33%	0.333	S	S	.	.	S	Bend	trans	-151.3	139.4	178.2	-66.6	-81.7	0	0	0	112.6	Q496 I688	Q496-N691 PolarHBondContact NE2-ND2 3.25Å; I688-N691 PolarHBondContact O-N 3.5Å; I688-N691 VanDerWaalsContact O-O 3.11Å
692	Y	59.5	Low	71.1	Confident	137 Å²	137	67.4 Å²	67.4	54%	0.537	33%	0.333	S	S	.	.			trans	68.1	98	171.4	-40	-75.2	0	0	0	116.2	S694 L695 L696	Y692-S694 VanDerWaalsContact C-N 3.29Å; Y692-S694 PolarHBondContact O-N 2.98Å; Y692-L695 HydrophobicContact CD2-CD2 4Å; Y692-L695 HydrophobicContact CG-CD1 4.46Å; Y692-L695 HydrophobicContact CG-CD2 4.47Å; Y692-L695 PolarHBondContact O-N 2.84Å; Y692-L696 PolarHBondContact O-N 3.49Å
693	S	65.5	Low	71.1	Confident	88 Å²	88	66.1 Å²	66.1	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-38.9	172.9	85.9	0	0	0	0	111.9	L695 L696 N697	S693-L695 PolarHBondContact O-N 3.31Å; S693-L696 CarbonylContact O-C 3.55Å; S693-L696 WeakPolarHBondContact O-CA 3.22Å; S693-L696 WeakPolarHBondContact O-CB 3.23Å; S693-L696 PolarHBondContact O-N 3Å; S693-N697 VanDerWaalsContact C-OD1 3.27Å; S693-N697 PolarHBondContact O-N 3Å; S693-N697 PolarHBondContact O-OD1 3.27Å
694	S	67.5	Low	71.5	Confident	70 Å²	70	65.4 Å²	65.4	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-19.5	178.9	58.5	0	0	0	0	114.7	Y692 N698	Y692-S694 VanDerWaalsContact C-N 3.29Å; Y692-S694 PolarHBondContact O-N 2.98Å; S694-N698 PolarHBondContact O-ND2 3.24Å
695	L	70	Confident	71.9	Confident	28 Å²	28	68 Å²	68	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-82	-43.7	169	-89	59.2	0	0	0	111.1	G586 I688 Y692 S693 N698 V699	G586-L695 WeakPolarHBondContact O-CG 3.43Å; I688-L695 HydrophobicContact CD1-CB 4.34Å; I688-L695 HydrophobicContact CG2-CB 3.94Å; Y692-L695 HydrophobicContact CD2-CD2 4Å; Y692-L695 HydrophobicContact CG-CD1 4.46Å; Y692-L695 HydrophobicContact CG-CD2 4.47Å; Y692-L695 PolarHBondContact O-N 2.84Å; S693-L695 PolarHBondContact O-N 3.31Å; L695-N698 WeakPolarHBondContact O-CB 3.27Å; L695-N698 PolarHBondContact O-N 3.23Å; L695-N698 VanDerWaalsContact O-N 3.12Å; L695-V699 WeakPolarHBondContact O-CG2 3.45Å; L695-V699 PolarHBondContact O-N 3.11Å
696	L	77.8	Confident	72.1	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-57.4	-49.8	176.6	-178.7	60.5	0	0	0	111.5	I685 I688 Y692 S693 N698 V699 E700	I685-L696 HydrophobicContact CD1-CD1 4.48Å; I685-L696 HydrophobicContact CG1-CD1 4.26Å; I685-L696 HydrophobicContact CG2-CD1 4.04Å; I688-L696 HydrophobicContact CG2-CB 4.35Å; Y692-L696 PolarHBondContact O-N 3.49Å; S693-L696 CarbonylContact O-C 3.55Å; S693-L696 WeakPolarHBondContact O-CA 3.22Å; S693-L696 WeakPolarHBondContact O-CB 3.23Å; S693-L696 PolarHBondContact O-N 3Å; L696-N698 PolarHBondContact O-N 3.01Å; L696-N698 VanDerWaalsContact O-N 3.12Å; L696-V699 WeakPolarHBondContact O-CA 3.43Å; L696-V699 WeakPolarHBondContact O-CB 3.45Å; L696-V699 PolarHBondContact O-N 2.93Å; L696-E700 WeakPolarHBondContact CD1-OE1 3.29Å; L696-E700 WeakPolarHBondContact CG-OE1 3.34Å; L696-E700 PolarHBondContact O-N 3.32Å
697	N	77.2	Confident	72.4	Confident	70 Å²	70	60.6 Å²	60.6	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-53	-35.2	173.8	-68.6	103.3	0	0	0	113	S693 E700 L701	S693-N697 VanDerWaalsContact C-OD1 3.27Å; S693-N697 PolarHBondContact O-N 3Å; S693-N697 PolarHBondContact O-OD1 3.27Å; N697-E700 VanDerWaalsContact CA-OE2 3.23Å; N697-E700 WeakPolarHBondContact CA-OE2 3.32Å; N697-E700 PolarHBondContact N-OE2 2.95Å; N697-L701 WeakPolarHBondContact O-CB 3.43Å; N697-L701 WeakPolarHBondContact O-CD1 3.4Å; N697-L701 VanDerWaalsContact O-CG 3.22Å; N697-L701 WeakPolarHBondContact O-CG 3.12Å; N697-L701 PolarHBondContact O-N 3.44Å
698	N	77.5	Confident	73.1	Confident	46 Å²	46	59.7 Å²	59.7	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-73.5	-30.6	176.4	-87.9	-74.4	0	0	0	112.9	A589 T593 S694 L695 L696 A702	A589-N698 HydrophobicContact CB-CB 3.92Å; T593-N698 WeakPolarHBondContact CG2-O 3.49Å; T593-N698 PolarHBondContact OG1-OD1 3.35Å; S694-N698 PolarHBondContact O-ND2 3.24Å; L695-N698 WeakPolarHBondContact O-CB 3.27Å; L695-N698 PolarHBondContact O-N 3.23Å; L695-N698 VanDerWaalsContact O-N 3.12Å; L696-N698 PolarHBondContact O-N 3.01Å; L696-N698 VanDerWaalsContact O-N 3.12Å; N698-A702 WeakPolarHBondContact O-CB 3.35Å; N698-A702 PolarHBondContact O-N 3.36Å; N698-A702 VanDerWaalsContact O-N 3.11Å
699	V	79.4	Confident	73.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-41.5	175.6	-173.6	0	0	0	0	110.6	A589 L681 I684 I685 I688 L695 L696 A702 M703	A589-V699 HydrophobicContact CB-CB 4.37Å; A589-V699 HydrophobicContact CB-CG2 3.67Å; L681-V699 HydrophobicContact CB-CG1 4.12Å; L681-V699 HydrophobicContact CD2-CG1 4.09Å; I684-V699 HydrophobicContact CG2-CG1 4.36Å; I684-V699 HydrophobicContact CG2-CG2 3.73Å; I685-V699 HydrophobicContact CD1-CG1 4Å; I685-V699 HydrophobicContact CG1-CB 4.12Å; I685-V699 HydrophobicContact CG1-CG1 3.42Å; I685-V699 VanDerWaalsContact CG1-CG1 3.42Å; I688-V699 HydrophobicContact CD1-CG2 3.92Å; L695-V699 WeakPolarHBondContact O-CG2 3.45Å; L695-V699 PolarHBondContact O-N 3.11Å; L696-V699 WeakPolarHBondContact O-CA 3.43Å; L696-V699 WeakPolarHBondContact O-CB 3.45Å; L696-V699 PolarHBondContact O-N 2.93Å; V699-A702 WeakPolarHBondContact O-CB 3.37Å; V699-A702 PolarHBondContact O-N 2.89Å; V699-A702 VanDerWaalsContact O-N 3.15Å; V699-M703 HydrophobicContact CG1-SD 4.35Å; V699-M703 WeakPolarHBondContact O-CG 3.38Å; V699-M703 PolarHBondContact O-N 3.25Å
700	E	79.1	Confident	74.7	Confident	57 Å²	57	52.8 Å²	52.8	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-48.2	175.4	-72.7	148.5	174.2	0	0	110.8	L696 N697 A702 M703 I704	L696-E700 WeakPolarHBondContact CD1-OE1 3.29Å; L696-E700 WeakPolarHBondContact CG-OE1 3.34Å; L696-E700 PolarHBondContact O-N 3.32Å; N697-E700 VanDerWaalsContact CA-OE2 3.23Å; N697-E700 WeakPolarHBondContact CA-OE2 3.32Å; N697-E700 PolarHBondContact N-OE2 2.95Å; E700-A702 VanDerWaalsContact C-N 3.28Å; E700-A702 PolarHBondContact O-N 3.45Å; E700-M703 PolarHBondContact O-N 3.22Å; E700-M703 VanDerWaalsContact O-N 3.16Å; E700-I704 WeakPolarHBondContact O-CB 3.36Å; E700-I704 WeakPolarHBondContact O-CD1 3.41Å; E700-I704 VanDerWaalsContact O-CG1 3.24Å; E700-I704 WeakPolarHBondContact O-CG1 3.43Å; E700-I704 PolarHBondContact O-N 2.86Å
701	L	78.2	Confident	75.8	Confident	76 Å²	76	49.5 Å²	49.5	40%	0.398	26%	0.255	S	S	.	.	H	α-helix	trans	-56.9	-39.8	171.9	-73.9	170.4	0	0	0	112.5	T593 N697 I704 Y705	T593-L701 HydrophobicContact CG2-CB 3.79Å; N697-L701 WeakPolarHBondContact O-CB 3.43Å; N697-L701 WeakPolarHBondContact O-CD1 3.4Å; N697-L701 VanDerWaalsContact O-CG 3.22Å; N697-L701 WeakPolarHBondContact O-CG 3.12Å; N697-L701 PolarHBondContact O-N 3.44Å; L701-I704 PolarHBondContact O-N 3.18Å; L701-Y705 HydrophobicContact CB-CE2 4.37Å; L701-Y705 WeakPolarHBondContact O-CD2 3.48Å; L701-Y705 PolarHBondContact O-N 3.35Å
702	A	80.2	Confident	77.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-42.4	175.8	0	0	0	0	0	112.9	F592 T593 L681 N698 V699 E700 Y705 I706	F592-A702 HydrophobicContact CB-CB 3.46Å; F592-A702 VanDerWaalsContact CB-CB 3.46Å; F592-A702 HydrophobicContact CD1-CB 4.48Å; F592-A702 HydrophobicContact CD2-CB 4.39Å; F592-A702 HydrophobicContact CG-CB 3.91Å; T593-A702 HydrophobicContact CG2-CB 4.37Å; L681-A702 HydrophobicContact CD1-CB 3.72Å; L681-A702 HydrophobicContact CD2-CB 3.91Å; N698-A702 WeakPolarHBondContact O-CB 3.35Å; N698-A702 PolarHBondContact O-N 3.36Å; N698-A702 VanDerWaalsContact O-N 3.11Å; V699-A702 WeakPolarHBondContact O-CB 3.37Å; V699-A702 PolarHBondContact O-N 2.89Å; V699-A702 VanDerWaalsContact O-N 3.15Å; E700-A702 VanDerWaalsContact C-N 3.28Å; E700-A702 PolarHBondContact O-N 3.45Å; A702-Y705 PolarHBondContact O-N 2.81Å; A702-I706 PolarHBondContact O-N 2.68Å; A702-I706 VanDerWaalsContact O-N 3.15Å
703	M	81.1	Confident	78.3	Confident	38 Å²	38	39.9 Å²	39.9	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-39.3	176	-72	175.7	55.5	0	0	111.8	L681 I685 V699 E700 I706 S707	L681-M703 HydrophobicContact CB-CG 3.57Å; L681-M703 HydrophobicContact CB-SD 3.99Å; L681-M703 HydrophobicContact CD1-CG 3.71Å; L681-M703 HydrophobicContact CG-CG 4.27Å; I685-M703 HydrophobicContact CD1-SD 3.59Å; I685-M703 VanDerWaalsContact CD1-SD 3.59Å; I685-M703 HydrophobicContact CG1-SD 4.44Å; V699-M703 HydrophobicContact CG1-SD 4.35Å; V699-M703 WeakPolarHBondContact O-CG 3.38Å; V699-M703 PolarHBondContact O-N 3.25Å; E700-M703 PolarHBondContact O-N 3.22Å; E700-M703 VanDerWaalsContact O-N 3.16Å; M703-I706 PolarHBondContact O-N 3.42Å; M703-S707 WeakPolarHBondContact O-CB 3.37Å; M703-S707 PolarHBondContact O-N 3.05Å; M703-S707 PolarHBondContact O-OG 3.09Å
704	I	79.8	Confident	79.1	Confident	33 Å²	33	39.6 Å²	39.6	17%	0.169	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-45.3	173.2	-71.2	163.1	0	0	0	110.5	N221 E700 L701 S707 R708	N221-I704 HydrophobicContact CB-CD1 4.1Å; N221-I704 HydrophobicContact CB-CG1 4.28Å; E700-I704 WeakPolarHBondContact O-CB 3.36Å; E700-I704 WeakPolarHBondContact O-CD1 3.41Å; E700-I704 VanDerWaalsContact O-CG1 3.24Å; E700-I704 WeakPolarHBondContact O-CG1 3.43Å; E700-I704 PolarHBondContact O-N 2.86Å; L701-I704 PolarHBondContact O-N 3.18Å; I704-S707 PolarHBondContact O-N 3.11Å; I704-R708 HydrophobicContact CG2-CG 4.34Å; I704-R708 WeakPolarHBondContact O-CB 3.32Å; I704-R708 VanDerWaalsContact O-CG 3.23Å; I704-R708 WeakPolarHBondContact O-CG 3.18Å; I704-R708 PolarHBondContact O-N 2.59Å
705	Y	80.5	Confident	79.7	Confident	60 Å²	60	37.3 Å²	37.3	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-48.4	177.1	-72.6	-54	0	0	0	112.7	T593 P596 L701 A702 S707 R708 V709	T593-Y705 HydrophobicContact CG2-CD2 4.32Å; T593-Y705 HydrophobicContact CG2-CE2 4.1Å; P596-Y705 HydrophobicContact CB-CD1 4.13Å; P596-Y705 HydrophobicContact CB-CE1 3.62Å; P596-Y705 HydrophobicContact CB-CE2 4.33Å; L701-Y705 HydrophobicContact CB-CE2 4.37Å; L701-Y705 WeakPolarHBondContact O-CD2 3.48Å; L701-Y705 PolarHBondContact O-N 3.35Å; A702-Y705 PolarHBondContact O-N 2.81Å; Y705-S707 VanDerWaalsContact C-N 3.31Å; Y705-S707 PolarHBondContact O-N 3Å; Y705-R708 PolarHBondContact O-N 3.45Å; Y705-V709 WeakPolarHBondContact O-CG2 3.34Å; Y705-V709 PolarHBondContact O-N 3.47Å; Y705-V709 VanDerWaalsContact O-N 3.11Å
706	I	81.2	Confident	80.3	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-39	178.9	-74.2	155.8	0	0	0	111.8	F592 W599 L674 Y677 L681 A702 M703 V709	F592-I706 HydrophobicContact CD1-CD1 3.84Å; F592-I706 HydrophobicContact CE1-CD1 3.95Å; W599-I706 HydrophobicContact CE3-CG1 4.37Å; W599-I706 HydrophobicContact CH2-CD1 4.49Å; W599-I706 HydrophobicContact CH2-CG1 4.29Å; W599-I706 HydrophobicContact CZ3-CG1 4.13Å; L674-I706 HydrophobicContact CB-CG2 4.34Å; L674-I706 HydrophobicContact CD2-CG2 4.46Å; Y677-I706 HydrophobicContact CG-CD1 4.5Å; L681-I706 HydrophobicContact CD1-CD1 3.46Å; L681-I706 VanDerWaalsContact CD1-CD1 3.46Å; A702-I706 PolarHBondContact O-N 2.68Å; A702-I706 VanDerWaalsContact O-N 3.15Å; M703-I706 PolarHBondContact O-N 3.42Å; I706-V709 WeakPolarHBondContact O-CB 3.4Å; I706-V709 PolarHBondContact O-N 3.47Å
707	S	79.9	Confident	80.4	Confident	62 Å²	62	35.2 Å²	35.2	43%	0.434	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-41.8	177	-55.2	0	0	0	0	111.6	M703 I704 Y705 V709 Q710 R711	M703-S707 WeakPolarHBondContact O-CB 3.37Å; M703-S707 PolarHBondContact O-N 3.05Å; M703-S707 PolarHBondContact O-OG 3.09Å; I704-S707 PolarHBondContact O-N 3.11Å; Y705-S707 VanDerWaalsContact C-N 3.31Å; Y705-S707 PolarHBondContact O-N 3Å; S707-V709 VanDerWaalsContact C-N 3.3Å; S707-V709 PolarHBondContact O-N 3.37Å; S707-Q710 PolarHBondContact O-N 3.05Å; S707-R711 WeakPolarHBondContact O-CB 3.28Å; S707-R711 PolarHBondContact O-N 3.49Å
708	R	81.7	Confident	80.6	Confident	54 Å²	54	36.6 Å²	36.6	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-32.8	175.3	-77.6	174	-176.2	-170.8	3	112.8	I704 Y705 C712 P751	I704-R708 HydrophobicContact CG2-CG 4.34Å; I704-R708 WeakPolarHBondContact O-CB 3.32Å; I704-R708 VanDerWaalsContact O-CG 3.23Å; I704-R708 WeakPolarHBondContact O-CG 3.18Å; I704-R708 PolarHBondContact O-N 2.59Å; Y705-R708 PolarHBondContact O-N 3.45Å; R708-C712 WeakPolarHBondContact O-CB 3.35Å; R708-C712 PolarHBondContact O-N 3.38Å; R708-P751 HydrophobicContact CB-CG 4.15Å; R708-P751 HydrophobicContact CG-CB 4.38Å; R708-P751 HydrophobicContact CG-CG 3.98Å
709	V	81.1	Confident	80.9	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-53.1	177.4	169.2	0	0	0	0	112.5	W599 T603 F606 L674 Y705 I706 S707 S713	W599-V709 HydrophobicContact CB-CG2 3.54Å; W599-V709 HydrophobicContact CG-CG2 4.45Å; W599-V709 WeakPolarHBondContact O-CG2 3.49Å; T603-V709 PolarHBondContact OG1-O 3.05Å; T603-V709 VanDerWaalsContact OG1-O 3.06Å; F606-V709 HydrophobicContact CE2-CG1 4.07Å; L674-V709 HydrophobicContact CD1-CB 4.37Å; L674-V709 HydrophobicContact CD1-CG1 3.67Å; Y705-V709 WeakPolarHBondContact O-CG2 3.34Å; Y705-V709 PolarHBondContact O-N 3.47Å; Y705-V709 VanDerWaalsContact O-N 3.11Å; I706-V709 WeakPolarHBondContact O-CB 3.4Å; I706-V709 PolarHBondContact O-N 3.47Å; S707-V709 VanDerWaalsContact C-N 3.3Å; S707-V709 PolarHBondContact O-N 3.37Å; V709-S713 PolarHBondContact O-N 3.03Å
710	Q	80.3	Confident	81	Confident	32 Å²	32	35.9 Å²	35.9	15%	0.15	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-49.6	-177.9	-65.7	-171.5	-12.1	0	0	109.4	L674 S707 C712 S713 E714	L674-Q710 HydrophobicContact CD1-CG 3.84Å; S707-Q710 PolarHBondContact O-N 3.05Å; Q710-C712 PolarHBondContact O-N 3.06Å; Q710-S713 PolarHBondContact O-N 2.7Å; Q710-S713 VanDerWaalsContact O-N 3.12Å; Q710-S713 PolarHBondContact O-OG 3.25Å; Q710-E714 PolarHBondContact O-N 3.23Å
711	R	82.6	Confident	80.9	Confident	66 Å²	66	36.6 Å²	36.6	25%	0.249	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-45.1	-179.8	-155	-176.9	76.2	-162.2	9.1	112.7	I219 S707 S713 E714 E715 I752	I219-R711 VanDerWaalsContact CG2-NH1 3.29Å; S707-R711 WeakPolarHBondContact O-CB 3.28Å; S707-R711 PolarHBondContact O-N 3.49Å; R711-S713 VanDerWaalsContact C-N 3.31Å; R711-S713 PolarHBondContact O-N 3.45Å; R711-E714 PolarHBondContact O-N 2.87Å; R711-E714 VanDerWaalsContact O-N 3.16Å; R711-E715 HydrophobicContact CG-CG 4.43Å; R711-E715 WeakPolarHBondContact CG-OE1 3.43Å; R711-E715 IonicContact CZ-OE1 3.03Å; R711-E715 IonicContact NE-OE1 2.62Å; R711-E715 PolarHBondContact NE-OE1 3.41Å; R711-E715 IonicContact NH2-OE1 3.91Å; R711-E715 WeakPolarHBondContact O-CB 3.35Å; R711-E715 VanDerWaalsContact O-CG 3.29Å; R711-E715 WeakPolarHBondContact O-CG 3.33Å; R711-E715 PolarHBondContact O-N 3.36Å; R711-I752 PolarHBondContact NH2-O 3.45Å
712	C	81.3	Confident	80.9	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-37.2	178	-176.3	0	0	0	0	112.5	T603 R708 Q710 F716 P749 P751	T603-C712 HydrophobicContact CG2-CB 4Å; R708-C712 WeakPolarHBondContact O-CB 3.35Å; R708-C712 PolarHBondContact O-N 3.38Å; Q710-C712 PolarHBondContact O-N 3.06Å; C712-F716 WeakPolarHBondContact O-CB 3.35Å; C712-F716 PolarHBondContact O-N 3.48Å; C712-P749 PolarHBondContact SG-O 2.94Å; C712-P751 HydrophobicContact CB-CB 4.28Å
713	S	82	Confident	80.9	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-38.4	176.4	66.6	0	0	0	0	112.3	V709 Q710 R711 F716 I717	V709-S713 PolarHBondContact O-N 3.03Å; Q710-S713 PolarHBondContact O-N 2.7Å; Q710-S713 VanDerWaalsContact O-N 3.12Å; Q710-S713 PolarHBondContact O-OG 3.25Å; R711-S713 VanDerWaalsContact C-N 3.31Å; R711-S713 PolarHBondContact O-N 3.45Å; S713-F716 PolarHBondContact O-N 2.83Å; S713-I717 VanDerWaalsContact O-CD1 3.25Å; S713-I717 WeakPolarHBondContact O-CD1 3.49Å; S713-I717 VanDerWaalsContact O-CG1 3.27Å; S713-I717 WeakPolarHBondContact O-CG1 3.15Å; S713-I717 PolarHBondContact O-N 3.3Å; S713-I717 VanDerWaalsContact O-N 3.15Å
714	E	81.9	Confident	80.8	Confident	82 Å²	82	38.9 Å²	38.9	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-75.3	-38.4	179.8	-67.7	169.1	-175.8	0	0	111.1	K671 Q710 R711 F716 I717 H718	K671-E714 IonicContact NZ-OE1 3.51Å; K671-E714 PolarHBondContact NZ-OE1 2.86Å; Q710-E714 PolarHBondContact O-N 3.23Å; R711-E714 PolarHBondContact O-N 2.87Å; R711-E714 VanDerWaalsContact O-N 3.16Å; E714-F716 VanDerWaalsContact C-N 3.33Å; E714-F716 PolarHBondContact O-N 2.97Å; E714-I717 PolarHBondContact O-N 2.69Å; E714-H718 WeakPolarHBondContact O-CB 3.49Å; E714-H718 PolarHBondContact O-CD2 2.96Å; E714-H718 VanDerWaalsContact O-CD2 3.27Å; E714-H718 PolarHBondContact O-N 3.18Å
715	E	81.4	Confident	80.5	Confident	21 Å²	21	38.8 Å²	38.8	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-44.3	167.8	-73.9	172.2	-151.7	0	0	111.4	R711 F719 W720 P751 I752	R711-E715 HydrophobicContact CG-CG 4.43Å; R711-E715 WeakPolarHBondContact CG-OE1 3.43Å; R711-E715 IonicContact CZ-OE1 3.03Å; R711-E715 IonicContact NE-OE1 2.62Å; R711-E715 PolarHBondContact NE-OE1 3.41Å; R711-E715 IonicContact NH2-OE1 3.91Å; R711-E715 WeakPolarHBondContact O-CB 3.35Å; R711-E715 VanDerWaalsContact O-CG 3.29Å; R711-E715 WeakPolarHBondContact O-CG 3.33Å; R711-E715 PolarHBondContact O-N 3.36Å; E715-F719 WeakPolarHBondContact O-CA 3.45Å; E715-F719 WeakPolarHBondContact O-CB 3.38Å; E715-F719 PolarHBondContact O-N 3.46Å; E715-W720 PolarHBondContact O-N 3.03Å; E715-P751 WeakPolarHBondContact OE2-CA 3.29Å; E715-I752 HydrophobicContact CG-CD1 4.31Å; E715-I752 WeakPolarHBondContact OE2-CG1 3.43Å; E715-I752 PolarHBondContact OE2-N 2.9Å
716	F	82.5	Confident	80.1	Confident	11 Å²	11	39.2 Å²	39.2	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-52.5	179.2	-166.1	-96.8	0	0	0	112.2	I607 Y611 C712 S713 E714 W720 L721 F727 L743 P749	I607-F716 HydrophobicContact CD1-CB 3.9Å; I607-F716 HydrophobicContact CD1-CD1 3.6Å; I607-F716 HydrophobicContact CD1-CD2 4.48Å; I607-F716 HydrophobicContact CD1-CE1 4.25Å; I607-F716 HydrophobicContact CD1-CG 3.73Å; I607-F716 HydrophobicContact CG1-CB 4.27Å; I607-F716 HydrophobicContact CG1-CD1 3.88Å; I607-F716 HydrophobicContact CG1-CG 4.31Å; I607-F716 HydrophobicContact CG2-CD1 3.78Å; I607-F716 HydrophobicContact CG2-CE1 3.89Å; Y611-F716 WeakPolarHBondContact OH-CE1 3.38Å; C712-F716 WeakPolarHBondContact O-CB 3.35Å; C712-F716 PolarHBondContact O-N 3.48Å; S713-F716 PolarHBondContact O-N 2.83Å; E714-F716 VanDerWaalsContact C-N 3.33Å; E714-F716 PolarHBondContact O-N 2.97Å; F716-W720 HydrophobicContact CD2-CB 4.25Å; F716-W720 PolarHBondContact O-N 2.88Å; F716-L721 HydrophobicContact CE1-CD2 4.39Å; F716-L721 PolarHBondContact O-N 2.93Å; F716-F727 HydrophobicContact CE2-CE2 4.26Å; F716-L743 HydrophobicContact CD1-CD2 4.38Å; F716-L743 HydrophobicContact CE1-CD2 3.41Å; F716-L743 VanDerWaalsContact CE1-CD2 3.41Å; F716-L743 HydrophobicContact CZ-CD2 3.57Å; F716-P749 HydrophobicContact CD2-CG 4.16Å
717	I	79.7	Confident	79.5	Confident	19 Å²	19	39.8 Å²	39.8	10%	0.097	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-44.7	-175.1	-63.5	157.7	0	0	0	112	I607 N610 S713 E714	I607-I717 HydrophobicContact CG1-CG1 4.45Å; N610-I717 HydrophobicContact CB-CD1 3.49Å; N610-I717 VanDerWaalsContact CB-CD1 3.49Å; N610-I717 HydrophobicContact CB-CG1 4.34Å; N610-I717 VanDerWaalsContact CG-CD1 3.49Å; N610-I717 WeakPolarHBondContact ND2-CD1 3.21Å; S713-I717 VanDerWaalsContact O-CD1 3.25Å; S713-I717 WeakPolarHBondContact O-CD1 3.49Å; S713-I717 VanDerWaalsContact O-CG1 3.27Å; S713-I717 WeakPolarHBondContact O-CG1 3.15Å; S713-I717 PolarHBondContact O-N 3.3Å; S713-I717 VanDerWaalsContact O-N 3.15Å; E714-I717 PolarHBondContact O-N 2.69Å
718	H	81.1	Confident	78.9	Confident	100 Å²	100	38.8 Å²	38.8	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-93	-23.3	-170.1	-64.8	-67.2	0	0	0	114.4	E714 K722	E714-H718 WeakPolarHBondContact O-CB 3.49Å; E714-H718 PolarHBondContact O-CD2 2.96Å; E714-H718 VanDerWaalsContact O-CD2 3.27Å; E714-H718 PolarHBondContact O-N 3.18Å; H718-K722 WeakPolarHBondContact O-CE 3.41Å; H718-K722 PolarHBondContact O-NZ 3.18Å
719	F	83.7	Confident	78.1	Confident	27 Å²	27	43.1 Å²	43.1	12%	0.118	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-60.6	-177.6	176.7	-104	0	0	0	113.1	E715 L721 K722 V723 I752 I755 I779 L788	E715-F719 WeakPolarHBondContact O-CA 3.45Å; E715-F719 WeakPolarHBondContact O-CB 3.38Å; E715-F719 PolarHBondContact O-N 3.46Å; F719-L721 VanDerWaalsContact C-N 3.32Å; F719-L721 PolarHBondContact O-N 3.49Å; F719-K722 WeakPolarHBondContact O-CB 3.5Å; F719-K722 PolarHBondContact O-N 3.5Å; F719-V723 HydrophobicContact CD1-CG2 4.49Å; F719-V723 HydrophobicContact CE1-CG2 3.9Å; F719-V723 HydrophobicContact CE2-CG2 4.17Å; F719-V723 HydrophobicContact CZ-CG2 3.71Å; F719-I752 HydrophobicContact CD1-CD1 3.85Å; F719-I752 HydrophobicContact CE1-CD1 4.15Å; F719-I755 HydrophobicContact CD1-CD1 4.31Å; F719-I755 HydrophobicContact CD2-CD1 4.15Å; F719-I755 HydrophobicContact CE1-CD1 3.88Å; F719-I755 HydrophobicContact CE2-CD1 3.72Å; F719-I755 HydrophobicContact CG-CD1 4.43Å; F719-I755 HydrophobicContact CZ-CD1 3.58Å; F719-I779 HydrophobicContact CE1-CD1 3.67Å; F719-I779 HydrophobicContact CZ-CD1 3.58Å; F719-L788 HydrophobicContact CE1-CD1 4.48Å; F719-L788 HydrophobicContact CZ-CD1 3.67Å
720	W	81.3	Confident	77.3	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.011	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.1	-36	-168.9	-73	116.8	0	0	0	113.8	E715 F716 K722 V723 I725 F727 P749 I752 I779 L781 L786	E715-W720 PolarHBondContact O-N 3.03Å; F716-W720 HydrophobicContact CD2-CB 4.25Å; F716-W720 PolarHBondContact O-N 2.88Å; W720-K722 PolarHBondContact O-N 2.96Å; W720-K722 VanDerWaalsContact O-N 3.09Å; W720-V723 HydrophobicContact CE3-CG2 4.29Å; W720-V723 PolarHBondContact O-N 2.85Å; W720-I725 HydrophobicContact CE3-CD1 4.05Å; W720-I725 HydrophobicContact CZ3-CD1 3.64Å; W720-F727 HydrophobicContact CB-CZ 3.99Å; W720-F727 HydrophobicContact CD2-CE1 4.16Å; W720-F727 HydrophobicContact CD2-CZ 4.3Å; W720-F727 AromaticContact CE3-CE1 3.77Å; W720-F727 HydrophobicContact CE3-CE1 3.77Å; W720-F727 HydrophobicContact CE3-CZ 4.03Å; W720-F727 HydrophobicContact CG-CZ 4.34Å; W720-F727 HydrophobicContact CZ3-CE1 4.26Å; W720-P749 HydrophobicContact CD2-CB 4.47Å; W720-P749 HydrophobicContact CD2-CG 3.92Å; W720-P749 HydrophobicContact CG-CG 3.84Å; W720-P749 HydrophobicContact CZ2-CB 4.15Å; W720-P749 HydrophobicContact CZ2-CG 4.39Å; W720-I752 HydrophobicContact CZ2-CD1 3.85Å; W720-I752 HydrophobicContact CZ2-CG1 3.7Å; W720-I779 HydrophobicContact CH2-CD1 4.45Å; W720-L781 HydrophobicContact CH2-CD1 4.21Å; W720-L781 HydrophobicContact CH2-CD2 4.3Å; W720-L781 HydrophobicContact CZ2-CD1 4.47Å; W720-L781 HydrophobicContact CZ2-CD2 3.99Å; W720-L786 HydrophobicContact CH2-CD1 4.03Å; W720-L786 HydrophobicContact CZ3-CD1 4.31Å
721	L	76.6	Confident	76.6	Confident	72 Å²	72	42.9 Å²	42.9	38%	0.377	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-61.3	-15.6	174.2	-71.6	173.9	0	0	0	115.3	Y611 F716 F719	Y611-L721 HydrophobicContact CE1-CD1 3.83Å; Y611-L721 WeakPolarHBondContact OH-CD1 3.38Å; Y611-L721 WeakPolarHBondContact OH-CD2 3.4Å; F716-L721 HydrophobicContact CE1-CD2 4.39Å; F716-L721 PolarHBondContact O-N 2.93Å; F719-L721 VanDerWaalsContact C-N 3.32Å; F719-L721 PolarHBondContact O-N 3.49Å
722	K	79.9	Confident	75.2	Confident	96 Å²	96	44.5 Å²	44.5	42%	0.417	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-94.3	6.2	176.2	-60.8	169.6	-176.1	156.6	0	112.4	H718 F719 W720 Y798 C799 W800	H718-K722 WeakPolarHBondContact O-CE 3.41Å; H718-K722 PolarHBondContact O-NZ 3.18Å; F719-K722 WeakPolarHBondContact O-CB 3.5Å; F719-K722 PolarHBondContact O-N 3.5Å; W720-K722 PolarHBondContact O-N 2.96Å; W720-K722 VanDerWaalsContact O-N 3.09Å; K722-Y798 CarbonylContact O-C 3.18Å; K722-Y798 WeakPolarHBondContact O-CA 3.16Å; K722-C799 PolarHBondContact O-N 2.64Å; K722-W800 PolarHBondContact O-N 2.99Å
723	V	79.8	Confident	73.6	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.3	-178.6	-158.6	0	0	0	0	110.6	F719 W720 I725 L788 W800	F719-V723 HydrophobicContact CD1-CG2 4.49Å; F719-V723 HydrophobicContact CE1-CG2 3.9Å; F719-V723 HydrophobicContact CE2-CG2 4.17Å; F719-V723 HydrophobicContact CZ-CG2 3.71Å; W720-V723 HydrophobicContact CE3-CG2 4.29Å; W720-V723 PolarHBondContact O-N 2.85Å; V723-I725 HydrophobicContact CB-CD1 4.06Å; V723-I725 HydrophobicContact CB-CG1 4.32Å; V723-I725 HydrophobicContact CG1-CD1 3.53Å; V723-I725 HydrophobicContact CG1-CG1 3.75Å; V723-I725 PolarHBondContact O-N 2.73Å; V723-L788 HydrophobicContact CG1-CD1 3.7Å; V723-L788 HydrophobicContact CG1-CD2 3.9Å; V723-L788 HydrophobicContact CG1-CG 4.41Å; V723-L788 HydrophobicContact CG2-CD1 4.07Å; V723-W800 CarbonylContact C-O 3.57Å; V723-W800 WeakPolarHBondContact CA-O 3.25Å; V723-W800 HydrophobicContact CB-CB 4.34Å; V723-W800 HydrophobicContact CG1-CB 3.9Å; V723-W800 HydrophobicContact CG2-CB 4.17Å
724	D	78.5	Confident	71.9	Confident	64 Å²	64	55.1 Å²	55.1	34%	0.342	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	89.6	171.8	177	29.6	0	0	0	109.3	Y798 W800 K801	D724-Y798 HydrophobicContact CB-CD1 4.47Å; D724-Y798 HydrophobicContact CB-CD2 4.14Å; D724-Y798 HydrophobicContact CB-CG 3.92Å; D724-W800 PolarHBondContact N-O 2.84Å; D724-K801 HydrophobicContact CB-CB 4.42Å; D724-K801 HydrophobicContact CB-CG 4.36Å; D724-K801 WeakPolarHBondContact OD2-CG 3.17Å; D724-K801 IonicContact OD2-NZ 2.83Å; D724-K801 PolarHBondContact OD2-NZ 3.26Å
725	I	73.3	Confident	70.3	Confident	31 Å²	31	58 Å²	58	16%	0.159	29%	0.292	C	S	.	.			trans	-140	135.2	-177.9	-75.3	174	0	0	0	110	W720 V723 F727 I730 L788 V802	W720-I725 HydrophobicContact CE3-CD1 4.05Å; W720-I725 HydrophobicContact CZ3-CD1 3.64Å; V723-I725 HydrophobicContact CB-CD1 4.06Å; V723-I725 HydrophobicContact CB-CG1 4.32Å; V723-I725 HydrophobicContact CG1-CD1 3.53Å; V723-I725 HydrophobicContact CG1-CG1 3.75Å; V723-I725 PolarHBondContact O-N 2.73Å; I725-F727 HydrophobicContact CB-CE1 4.17Å; I725-F727 HydrophobicContact CB-CZ 4.29Å; I725-F727 HydrophobicContact CD1-CE1 4.35Å; I725-F727 HydrophobicContact CG2-CD1 3.46Å; I725-F727 VanDerWaalsContact CG2-CD1 3.46Å; I725-F727 HydrophobicContact CG2-CD2 4.46Å; I725-F727 HydrophobicContact CG2-CE1 3.51Å; I725-F727 HydrophobicContact CG2-CE2 4.49Å; I725-F727 HydrophobicContact CG2-CG 3.95Å; I725-F727 HydrophobicContact CG2-CZ 4.03Å; I725-I730 HydrophobicContact CD1-CD1 4.37Å; I725-I730 HydrophobicContact CG2-CD1 3.76Å; I725-L788 HydrophobicContact CD1-CD2 4.5Å; I725-V802 HydrophobicContact CD1-CG2 3.6Å; I725-V802 HydrophobicContact CG1-CB 4.44Å; I725-V802 HydrophobicContact CG1-CG2 3.4Å; I725-V802 VanDerWaalsContact CG1-CG2 3.4Å
726	N	72.2	Confident	68.3	Low	69 Å²	69	61 Å²	61	37%	0.369	31%	0.308	S	S	.	.			trans	-91.8	106	157.2	-179.8	0.7	0	0	0	108.7	N728 E729	N726-N728 PolarHBondContact O-N 3.37Å; N726-N728 WeakPolarHBondContact OD1-CB 3.33Å; N726-N728 PolarHBondContact OD1-N 2.92Å; N726-E729 HydrophobicContact CB-CG 4.25Å; N726-E729 PolarHBondContact ND2-OE1 3.37Å; N726-E729 PolarHBondContact O-N 2.82Å
727	F	69	Low	66.4	Low	16 Å²	16	67.2 Å²	67.2	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-28.1	-175.4	-67.4	-64.8	0	0	0	112.6	F716 W720 I725 E729 I730 F731 C747 P749	F716-F727 HydrophobicContact CE2-CE2 4.26Å; W720-F727 HydrophobicContact CB-CZ 3.99Å; W720-F727 HydrophobicContact CD2-CE1 4.16Å; W720-F727 HydrophobicContact CD2-CZ 4.3Å; W720-F727 AromaticContact CE3-CE1 3.77Å; W720-F727 HydrophobicContact CE3-CE1 3.77Å; W720-F727 HydrophobicContact CE3-CZ 4.03Å; W720-F727 HydrophobicContact CG-CZ 4.34Å; W720-F727 HydrophobicContact CZ3-CE1 4.26Å; I725-F727 HydrophobicContact CB-CE1 4.17Å; I725-F727 HydrophobicContact CB-CZ 4.29Å; I725-F727 HydrophobicContact CD1-CE1 4.35Å; I725-F727 HydrophobicContact CG2-CD1 3.46Å; I725-F727 VanDerWaalsContact CG2-CD1 3.46Å; I725-F727 HydrophobicContact CG2-CD2 4.46Å; I725-F727 HydrophobicContact CG2-CE1 3.51Å; I725-F727 HydrophobicContact CG2-CE2 4.49Å; I725-F727 HydrophobicContact CG2-CG 3.95Å; I725-F727 HydrophobicContact CG2-CZ 4.03Å; F727-E729 PolarHBondContact O-N 2.83Å; F727-I730 PolarHBondContact O-N 2.87Å; F727-I730 VanDerWaalsContact O-N 3.11Å; F727-F731 HydrophobicContact CB-CD2 4.26Å; F727-F731 HydrophobicContact CD1-CD2 4.44Å; F727-F731 HydrophobicContact CD1-CE2 4.04Å; F727-F731 WeakPolarHBondContact O-CD2 3.37Å; F727-F731 PolarHBondContact O-N 3.47Å; F727-C747 WeakPolarHBondContact CB-O 3.19Å; F727-P749 HydrophobicContact CD1-CB 4.15Å; F727-P749 HydrophobicContact CD1-CG 4.2Å; F727-P749 HydrophobicContact CE1-CB 4.11Å; F727-P749 HydrophobicContact CE1-CG 3.87Å; F727-P749 HydrophobicContact CZ-CG 4.32Å
728	N	66.1	Low	64.5	Low	42 Å²	42	75.5 Å²	75.5	23%	0.225	38%	0.38	C	S	.	.	H	α-helix	trans	-72	-13.3	-179.1	-54.9	-38.9	0	0	0	113	N726 I733 D746 C747	N726-N728 PolarHBondContact O-N 3.37Å; N726-N728 WeakPolarHBondContact OD1-CB 3.33Å; N726-N728 PolarHBondContact OD1-N 2.92Å; N728-I733 HydrophobicContact CB-CD1 3.98Å; N728-D746 PolarHBondContact ND2-OD1 2.75Å; N728-D746 VanDerWaalsContact ND2-OD1 3.13Å; N728-C747 WeakPolarHBondContact OD1-CB 3.48Å; N728-C747 PolarHBondContact OD1-N 2.97Å
729	E	66.3	Low	62.5	Low	145 Å²	145	76.7 Å²	76.7	68%	0.678	39%	0.39	S	S	*	.	H	α-helix	trans	-84.9	-27.2	169.9	-75.9	170.4	-140.5	0	0	113	N726 F727	N726-E729 HydrophobicContact CB-CG 4.25Å; N726-E729 PolarHBondContact ND2-OE1 3.37Å; N726-E729 PolarHBondContact O-N 2.82Å; F727-E729 PolarHBondContact O-N 2.83Å
730	I	64.3	Low	60.6	Low	11 Å²	11	77.9 Å²	77.9	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-91.1	-40.5	-178.5	-55.2	-179	0	0	0	110.7	I725 F727 H784 L786 I805	I725-I730 HydrophobicContact CD1-CD1 4.37Å; I725-I730 HydrophobicContact CG2-CD1 3.76Å; F727-I730 PolarHBondContact O-N 2.87Å; F727-I730 VanDerWaalsContact O-N 3.11Å; I730-H784 PolarHBondContact O-CE1 2.7Å; I730-L786 HydrophobicContact CD1-CD1 4.29Å; I730-L786 HydrophobicContact CD1-CD2 4.39Å; I730-I805 HydrophobicContact CD1-CD1 4.13Å; I730-I805 HydrophobicContact CD1-CG1 4.2Å; I730-I805 HydrophobicContact CG1-CD1 3.87Å; I730-I805 HydrophobicContact CG1-CG1 4.29Å
731	F	64.7	Low	59.3	Low	18 Å²	18	79 Å²	79	8%	0.079	40%	0.401	C	S	.	.	S	Bend	trans	-106.8	98.8	-177.4	-54.2	-66.1	0	0	0	109.4	F727 I733 L736 P749 P750 L781	F727-F731 HydrophobicContact CB-CD2 4.26Å; F727-F731 HydrophobicContact CD1-CD2 4.44Å; F727-F731 HydrophobicContact CD1-CE2 4.04Å; F727-F731 WeakPolarHBondContact O-CD2 3.37Å; F727-F731 PolarHBondContact O-N 3.47Å; F731-I733 PolarHBondContact O-N 2.88Å; F731-L736 HydrophobicContact CB-CD1 4.21Å; F731-P749 HydrophobicContact CE2-CB 3.77Å; F731-P749 HydrophobicContact CZ-CB 4.13Å; F731-P750 HydrophobicContact CE1-CG 3.77Å; F731-P750 HydrophobicContact CZ-CG 4.09Å; F731-L781 HydrophobicContact CE1-CD1 4.39Å; F731-L781 HydrophobicContact CZ-CD1 3.82Å
732	N	54.6	Low	58.1	Low	100 Å²	100	79.7 Å²	79.7	54%	0.535	41%	0.405	S	S	.	.			trans	-58.8	100.2	-176.5	-113.8	-53.4	0	0	0	111.3	N734 N735	N732-N734 PolarHBondContact O-N 2.78Å; N732-N734 VanDerWaalsContact O-N 3.1Å; N732-N735 PolarHBondContact O-N 3.01Å
733	I	47.3	Very low	57	Low	80 Å²	80	75.4 Å²	75.4	41%	0.41	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-52.2	-36.6	179	-57.5	176.9	0	0	0	110.9	N728 F731 N735 L736	N728-I733 HydrophobicContact CB-CD1 3.98Å; F731-I733 PolarHBondContact O-N 2.88Å; I733-N735 PolarHBondContact O-N 3.07Å; I733-N735 VanDerWaalsContact O-N 3.09Å; I733-L736 CarbonylContact O-C 3.4Å; I733-L736 PolarHBondContact O-N 3.34Å
734	N	46.1	Very low	55.8	Low	147 Å²	147	80.3 Å²	80.3	79%	0.786	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.1	-179.9	-61.2	-29.9	0	0	0	114.8	N732	N732-N734 PolarHBondContact O-N 2.78Å; N732-N734 VanDerWaalsContact O-N 3.1Å
735	N	47.6	Very low	54.7	Low	143 Å²	143	83.4 Å²	83.4	77%	0.765	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-99.1	-8.8	174.8	-72.3	0.8	0	0	0	112.7	N732 I733	N732-N735 PolarHBondContact O-N 3.01Å; I733-N735 PolarHBondContact O-N 3.07Å; I733-N735 VanDerWaalsContact O-N 3.09Å
736	L	40.5	Very low	53.9	Low	84 Å²	84	85.3 Å²	85.3	44%	0.44	43%	0.434	S	S	.	.	S	Bend	trans	-100	106.6	179.1	-64.9	169.2	0	0	0	108.2	F731 I733 E738	F731-L736 HydrophobicContact CB-CD1 4.21Å; I733-L736 CarbonylContact O-C 3.4Å; I733-L736 PolarHBondContact O-N 3.34Å; L736-E738 PolarHBondContact O-N 3.02Å
737	N	41	Very low	53.5	Low	141 Å²	141	82.5 Å²	82.5	75%	0.754	42%	0.42	S	S	*	.			trans	-35.9	133.7	-176.7	-79.1	-63.9	0	0	0	113.8	N739 K740	N737-N739 PolarHBondContact O-N 2.72Å; N737-K740 PolarHBondContact O-N 2.95Å
738	E	40.1	Very low	53.4	Low	194 Å²	194	82.2 Å²	82.2	91%	0.907	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	0	-168.5	-57.6	-179.2	136.6	0	0	118.4	L736	L736-E738 PolarHBondContact O-N 3.02Å
739	N	40.6	Very low	53.7	Low	124 Å²	124	80.3 Å²	80.3	66%	0.663	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	6.7	-167	-82.3	-88	0	0	0	115.3	N737	N737-N739 PolarHBondContact O-N 2.72Å
740	K	43.4	Very low	53.9	Low	53 Å²	53	74.5 Å²	74.5	23%	0.23	38%	0.384	C	S	.	.	S	Bend	trans	-144.7	149.2	-170	-60.3	-166.2	175.5	-176.3	0	118.1	D597 N737	D597-K740 VanDerWaalsContact C-NZ 3.3Å; D597-K740 HydrophobicContact CB-CD 4.45Å; D597-K740 WeakPolarHBondContact O-CD 3.49Å; D597-K740 PolarHBondContact O-NZ 2.89Å; D597-K740 IonicContact OD2-NZ 2.65Å; D597-K740 PolarHBondContact OD2-NZ 3.49Å; N737-K740 PolarHBondContact O-N 2.95Å
741	L	54.4	Low	54.5	Low	27 Å²	27	74.2 Å²	74.2	14%	0.141	38%	0.383	C	S	.	.			trans	73.3	18.8	161.8	-43.4	-167.1	0	0	0	118.5	Y600 I604 I748	Y600-L741 HydrophobicContact CD2-CD1 3.6Å; Y600-L741 HydrophobicContact CE2-CD1 4.36Å; Y600-L741 HydrophobicContact CG-CD1 3.92Å; Y600-L741 HydrophobicContact CG-CD2 4.47Å; I604-L741 HydrophobicContact CD1-CD2 4.01Å; L741-I748 PolarHBondContact O-N 2.91Å
742	L	50.8	Low	55.3	Low	86 Å²	86	73.6 Å²	73.6	45%	0.45	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127	163.3	-59.5	-178.4	0	0	0	111.1	D746	L742-D746 CarbonylContact C-O 3.5Å; L742-D746 WeakPolarHBondContact CA-O 3.36Å
743	L	57	Low	56.6	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.1	167.4	176.9	95.1	0	0	0	106.9	I604 I607 Y611 F716 D745 D746 I748	I604-L743 HydrophobicContact CG2-CD1 3.65Å; I607-L743 HydrophobicContact CB-CD1 4.14Å; I607-L743 HydrophobicContact CG2-CD1 3.82Å; I607-L743 HydrophobicContact CG2-CD2 3.66Å; I607-L743 HydrophobicContact CG2-CG 4.41Å; Y611-L743 HydrophobicContact CE2-CD2 4.33Å; F716-L743 HydrophobicContact CD1-CD2 4.38Å; F716-L743 HydrophobicContact CE1-CD2 3.41Å; F716-L743 VanDerWaalsContact CE1-CD2 3.41Å; F716-L743 HydrophobicContact CZ-CD2 3.57Å; L743-D745 VanDerWaalsContact C-N 3.25Å; L743-D745 PolarHBondContact O-N 2.95Å; L743-D746 PolarHBondContact N-O 3.13Å; L743-D746 PolarHBondContact O-N 3.37Å; L743-D746 VanDerWaalsContact O-N 3.1Å; L743-I748 HydrophobicContact CB-CD1 4.23Å; L743-I748 HydrophobicContact CB-CG1 4.06Å
744	F	54.6	Low	58.3	Low	105 Å²	105	66.5 Å²	66.5	46%	0.461	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	42.9	-172.4	-52.2	-68.2	0	0	0	113.3	D555 H608 Y611 D746	D555-F744 HydrophobicContact CB-CE1 4.14Å; H608-F744 AromaticContact CE1-CE1 3.8Å; H608-F744 AromaticContact CE1-CE2 3.69Å; H608-F744 AromaticContact CE1-CZ 3.39Å; H608-F744 WeakPolarHBondContact CE1-CZ 3.49Å; H608-F744 AromaticContact ND1-CE2 3.85Å; H608-F744 AromaticContact ND1-CZ 3.5Å; Y611-F744 AromaticContact CD2-CE2 3.91Å; Y611-F744 HydrophobicContact CD2-CE2 3.91Å; Y611-F744 AromaticContact CE2-CE2 3.85Å; Y611-F744 HydrophobicContact CE2-CE2 3.85Å; F744-D746 PolarHBondContact O-N 3.02Å
745	D	54.2	Low	60.3	Low	129 Å²	129	61.6 Å²	61.6	69%	0.69	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	5.3	-176.9	-51.4	-34	0	0	0	116.1	L743	L743-D745 VanDerWaalsContact C-N 3.25Å; L743-D745 PolarHBondContact O-N 2.95Å
746	D	56.4	Low	62.1	Low	71 Å²	71	55 Å²	55	38%	0.38	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.4	169.7	-75.8	-39.2	0	0	0	112.9	N728 L742 L743 F744	N728-D746 PolarHBondContact ND2-OD1 2.75Å; N728-D746 VanDerWaalsContact ND2-OD1 3.13Å; L742-D746 CarbonylContact C-O 3.5Å; L742-D746 WeakPolarHBondContact CA-O 3.36Å; L743-D746 PolarHBondContact N-O 3.13Å; L743-D746 PolarHBondContact O-N 3.37Å; L743-D746 VanDerWaalsContact O-N 3.1Å; F744-D746 PolarHBondContact O-N 3.02Å
747	C	63.8	Low	64.3	Low	10 Å²	10	52.6 Å²	52.6	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.2	172.3	-173.9	0	0	0	0	112	F727 N728	F727-C747 WeakPolarHBondContact CB-O 3.19Å; N728-C747 WeakPolarHBondContact OD1-CB 3.48Å; N728-C747 PolarHBondContact OD1-N 2.97Å
748	I	67.9	Low	66.5	Low	11 Å²	11	46 Å²	46	6%	0.056	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.7	131	171.1	-65.4	-179.3	0	0	0	110.3	I604 I607 L741 L743	I604-I748 HydrophobicContact CB-CD1 4.28Å; I604-I748 HydrophobicContact CG1-CD1 3.54Å; I607-I748 HydrophobicContact CD1-CD1 3.69Å; I607-I748 HydrophobicContact CD1-CG1 4.45Å; L741-I748 PolarHBondContact O-N 2.91Å; L743-I748 HydrophobicContact CB-CD1 4.23Å; L743-I748 HydrophobicContact CB-CG1 4.06Å
749	P	71.6	Confident	68.7	Low	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.4	149.9	175.1	27.7	-35.1	0	0	0	112.7	C712 F716 W720 F727 F731	C712-P749 PolarHBondContact SG-O 2.94Å; F716-P749 HydrophobicContact CD2-CG 4.16Å; W720-P749 HydrophobicContact CD2-CB 4.47Å; W720-P749 HydrophobicContact CD2-CG 3.92Å; W720-P749 HydrophobicContact CG-CG 3.84Å; W720-P749 HydrophobicContact CZ2-CB 4.15Å; W720-P749 HydrophobicContact CZ2-CG 4.39Å; F727-P749 HydrophobicContact CD1-CB 4.15Å; F727-P749 HydrophobicContact CD1-CG 4.2Å; F727-P749 HydrophobicContact CE1-CB 4.11Å; F727-P749 HydrophobicContact CE1-CG 3.87Å; F727-P749 HydrophobicContact CZ-CG 4.32Å; F731-P749 HydrophobicContact CE2-CB 3.77Å; F731-P749 HydrophobicContact CZ-CB 4.13Å
750	P	71.6	Confident	71	Confident	24 Å²	24	36.4 Å²	36.4	16%	0.156	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-66.8	155.5	172.6	31	-35.1	0	0	0	111.3	F731 L781 P782	F731-P750 HydrophobicContact CE1-CG 3.77Å; F731-P750 HydrophobicContact CZ-CG 4.09Å; P750-L781 HydrophobicContact CG-CB 4.47Å; P750-P782 HydrophobicContact CB-CG 4.22Å
751	P	75.9	Confident	72.8	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.032	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-62.7	139	-177.2	26	-35.1	0	0	0	112.3	Y600 R708 C712 E715 I753	Y600-P751 WeakPolarHBondContact OH-CD 3.39Å; R708-P751 HydrophobicContact CB-CG 4.15Å; R708-P751 HydrophobicContact CG-CB 4.38Å; R708-P751 HydrophobicContact CG-CG 3.98Å; C712-P751 HydrophobicContact CB-CB 4.28Å; E715-P751 WeakPolarHBondContact OE2-CA 3.29Å; P751-I753 PolarHBondContact O-N 2.9Å
752	I	82.2	Confident	74.2	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.5	124.7	-174.6	-66.9	166.2	0	0	0	111.1	I219 R711 E715 F719 W720 R754 I755 I779 L781	I219-I752 HydrophobicContact CD1-CG2 4.16Å; R711-I752 PolarHBondContact NH2-O 3.45Å; E715-I752 HydrophobicContact CG-CD1 4.31Å; E715-I752 WeakPolarHBondContact OE2-CG1 3.43Å; E715-I752 PolarHBondContact OE2-N 2.9Å; F719-I752 HydrophobicContact CD1-CD1 3.85Å; F719-I752 HydrophobicContact CE1-CD1 4.15Å; W720-I752 HydrophobicContact CZ2-CD1 3.85Å; W720-I752 HydrophobicContact CZ2-CG1 3.7Å; I752-R754 WeakPolarHBondContact CG2-O 3.49Å; I752-I755 HydrophobicContact CD1-CD1 4.45Å; I752-I755 HydrophobicContact CG2-CB 3.97Å; I752-I755 HydrophobicContact CG2-CG2 4.09Å; I752-I779 HydrophobicContact CG1-CG2 4.15Å; I752-I779 HydrophobicContact CG2-CG2 3.91Å; I752-L781 HydrophobicContact CB-CD2 4.48Å; I752-L781 HydrophobicContact CG1-CD2 3.96Å
753	I	81.6	Confident	75.6	Confident	27 Å²	27	32.7 Å²	32.7	14%	0.138	16%	0.163	C	C	.	.	S	Bend	trans	-78.8	-36.8	175.1	-57	177.7	0	0	0	110.4	I219 P751 L780 P782	I219-I753 CarbonylContact C-O 3.59Å; I219-I753 WeakPolarHBondContact CA-O 3.49Å; I219-I753 WeakPolarHBondContact CB-O 3.37Å; I219-I753 PolarHBondContact N-O 2.8Å; I219-I753 VanDerWaalsContact N-O 3.07Å; P751-I753 PolarHBondContact O-N 2.9Å; I753-L780 HydrophobicContact CB-CB 4.24Å; I753-L780 HydrophobicContact CB-CD2 4.17Å; I753-L780 HydrophobicContact CB-CG 4.06Å; I753-L780 WeakPolarHBondContact CB-O 3.49Å; I753-L780 HydrophobicContact CD1-CG 4.38Å; I753-L780 HydrophobicContact CG2-CD2 3.87Å; I753-L780 HydrophobicContact CG2-CG 4.33Å; I753-L780 PolarHBondContact N-O 3.5Å; I753-P782 HydrophobicContact CD1-CB 4.4Å; I753-P782 HydrophobicContact CD1-CG 4.06Å; I753-P782 HydrophobicContact CG1-CG 4.49Å
754	R	82.9	Confident	76.6	Confident	4 Å²	4	38 Å²	38	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	147.2	176.1	-172.9	156.4	177.8	-179.3	-6.4	112.3	Q218 I752 T756 I779 L780 S850 A853 W854 D857	Q218-R754 VanDerWaalsContact CG-NH1 3.26Å; I752-R754 WeakPolarHBondContact CG2-O 3.49Å; R754-T756 HydrophobicContact CG-CG2 3.7Å; R754-I779 CarbonylContact O-C 3.59Å; R754-I779 VanDerWaalsContact O-CA 3.27Å; R754-I779 WeakPolarHBondContact O-CA 3.42Å; R754-L780 HydrophobicContact CB-CB 4.15Å; R754-L780 PolarHBondContact N-O 2.61Å; R754-L780 PolarHBondContact O-N 2.93Å; R754-S850 PolarHBondContact NH2-O 2.85Å; R754-S850 VanDerWaalsContact NH2-O 3.08Å; R754-S850 PolarHBondContact NH2-OG 2.72Å; R754-A853 PolarHBondContact NH1-O 3.3Å; R754-W854 HydrophobicContact CB-CH2 4.14Å; R754-W854 HydrophobicContact CB-CZ2 4.31Å; R754-W854 HydrophobicContact CG-CD2 4.5Å; R754-W854 HydrophobicContact CG-CH2 4.03Å; R754-W854 HydrophobicContact CG-CZ2 3.69Å; R754-D857 WeakPolarHBondContact CD-OD2 3.42Å; R754-D857 IonicContact CZ-OD2 3.12Å; R754-D857 IonicContact NE-OD2 3.83Å; R754-D857 IonicContact NH1-OD2 2.61Å; R754-D857 PolarHBondContact NH1-OD2 3.28Å
755	I	87.3	Confident	77.3	Confident	44 Å²	44	36.6 Å²	36.6	23%	0.226	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	116.6	178.1	179.5	160.6	0	0	0	110.6	I219 F719 I752 R777 L778 I779	I219-I755 HydrophobicContact CD1-CG2 4.07Å; F719-I755 HydrophobicContact CD1-CD1 4.31Å; F719-I755 HydrophobicContact CD2-CD1 4.15Å; F719-I755 HydrophobicContact CE1-CD1 3.88Å; F719-I755 HydrophobicContact CE2-CD1 3.72Å; F719-I755 HydrophobicContact CG-CD1 4.43Å; F719-I755 HydrophobicContact CZ-CD1 3.58Å; I752-I755 HydrophobicContact CD1-CD1 4.45Å; I752-I755 HydrophobicContact CG2-CB 3.97Å; I752-I755 HydrophobicContact CG2-CG2 4.09Å; I755-R777 HydrophobicContact CD1-CG 4.43Å; I755-R777 HydrophobicContact CG1-CG 4.05Å; I755-L778 WeakPolarHBondContact CA-O 3.28Å; I755-I779 HydrophobicContact CB-CG1 4.39Å; I755-I779 HydrophobicContact CD1-CD1 3.86Å; I755-I779 HydrophobicContact CD1-CG1 4.04Å; I755-I779 HydrophobicContact CG1-CD1 4.36Å; I755-I779 HydrophobicContact CG1-CG1 3.98Å
756	T	86.1	Confident	77.9	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	140.1	-175.6	83.9	0	0	0	0	112.8	S216 R754 I758 L778 W854	S216-T756 VanDerWaalsContact CA-CG2 3.47Å; R754-T756 HydrophobicContact CG-CG2 3.7Å; T756-I758 WeakPolarHBondContact OG1-CD1 3.45Å; T756-I758 WeakPolarHBondContact OG1-CG1 3.49Å; T756-L778 PolarHBondContact N-O 3.43Å; T756-L778 PolarHBondContact O-N 2.61Å; T756-W854 HydrophobicContact CG2-CZ2 3.81Å; T756-W854 WeakPolarHBondContact OG1-CZ2 3.47Å; T756-W854 PolarHBondContact OG1-NE1 3.15Å
757	D	86.3	Confident	78.2	Confident	34 Å²	34	38.3 Å²	38.3	18%	0.182	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.1	173.9	-65.6	-22.5	0	0	0	111.5	R777	D757-R777 WeakPolarHBondContact OD1-CA 3.38Å; D757-R777 WeakPolarHBondContact OD1-CB 3.47Å; D757-R777 WeakPolarHBondContact OD1-CG 3.39Å; D757-R777 IonicContact OD1-CZ 2.63Å; D757-R777 IonicContact OD1-NE 3.38Å; D757-R777 PolarHBondContact OD1-NE 3.29Å; D757-R777 IonicContact OD1-NH2 2.77Å; D757-R777 PolarHBondContact OD1-NH2 3.43Å; D757-R777 IonicContact OD2-CZ 3.07Å; D757-R777 IonicContact OD2-NE 3.25Å; D757-R777 IonicContact OD2-NH2 3.53Å; D757-R777 PolarHBondContact OD2-NH2 2.9Å
758	I	88.6	Confident	78.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.9	-175.1	-47.3	170	0	0	0	111.2	T756 I760 M775 E776 L778 I843 T844 W854	T756-I758 WeakPolarHBondContact OG1-CD1 3.45Å; T756-I758 WeakPolarHBondContact OG1-CG1 3.49Å; I758-I760 PolarHBondContact O-N 2.85Å; I758-M775 WeakPolarHBondContact O-CA 3.26Å; I758-E776 PolarHBondContact N-O 3.38Å; I758-E776 PolarHBondContact O-N 2.8Å; I758-E776 VanDerWaalsContact O-O 3.07Å; I758-L778 HydrophobicContact CD1-CB 4.42Å; I758-L778 HydrophobicContact CD1-CD2 4.11Å; I758-I843 HydrophobicContact CB-CG2 4.3Å; I758-I843 HydrophobicContact CD1-CG2 3.91Å; I758-I843 HydrophobicContact CG2-CG2 3.61Å; I758-T844 VanDerWaalsContact CG2-C 3.47Å; I758-T844 WeakPolarHBondContact CG2-O 3.11Å; I758-W854 HydrophobicContact CD1-CG 4.49Å; I758-W854 HydrophobicContact CD1-CZ2 4.31Å
759	K	85.7	Confident	77.8	Confident	111 Å²	111	43 Å²	43	48%	0.483	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	120	165.4	-65	-172.9	-179.1	-177.5	0	110.7	M773 K774 M775 T844	K759-M773 HydrophobicContact CB-SD 4.02Å; K759-K774 CarbonylContact C-O 3.5Å; K759-K774 WeakPolarHBondContact CA-O 3.41Å; K759-M775 HydrophobicContact CB-SD 4.33Å; K759-M775 HydrophobicContact CD-SD 4.47Å; K759-M775 HydrophobicContact CG-CG 4.17Å; K759-M775 HydrophobicContact CG-SD 3.35Å; K759-M775 WeakPolarHBondContact CG-SD 3.34Å; K759-T844 PolarHBondContact O-N 3.29Å
760	I	87.8	Confident	77.6	Confident	5 Å²	5	51 Å²	51	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.1	176.7	-49	-175.7	0	0	0	109.1	I758 K774 E776 L778 I843	I758-I760 PolarHBondContact O-N 2.85Å; I760-K774 PolarHBondContact N-O 2.6Å; I760-K774 PolarHBondContact O-N 2.75Å; I760-K774 VanDerWaalsContact O-N 3.07Å; I760-E776 HydrophobicContact CD1-CB 4.16Å; I760-E776 HydrophobicContact CG1-CB 4.48Å; I760-L778 HydrophobicContact CD1-CB 4.19Å; I760-L778 HydrophobicContact CD1-CD1 3.84Å; I760-L778 HydrophobicContact CD1-CD2 4.43Å; I760-L778 HydrophobicContact CD1-CG 4.38Å; I760-I843 HydrophobicContact CG1-CG1 4.33Å; I760-I843 HydrophobicContact CG2-CG1 4.24Å
761	G	82.9	Confident	77.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	161.3	164.9	0	0	0	0	0	110.9	M773 F841 R842	G761-M773 PolarHBondContact N-SD 2.68Å; G761-M773 VanDerWaalsContact N-SD 3.37Å; G761-F841 WeakPolarHBondContact O-CA 3.04Å; G761-R842 PolarHBondContact N-O 2.77Å; G761-R842 PolarHBondContact O-N 2.93Å
762	Q	83.7	Confident	77.1	Confident	81 Å²	81	59.6 Å²	59.6	38%	0.379	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.4	168.3	67.4	-177.5	10.2	0	0	108.5	L839 I840 F841	Q762-L839 HydrophobicContact CB-CD1 4.5Å; Q762-I840 CarbonylContact C-O 3.47Å; Q762-I840 WeakPolarHBondContact CA-O 3.42Å; Q762-F841 HydrophobicContact CB-CD1 3.76Å; Q762-F841 HydrophobicContact CB-CE1 3.92Å
763	H	79.2	Confident	77	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.8	-177.5	56.2	117.5	0	0	0	112	N765 L768 E827 I840	H763-N765 PolarHBondContact ND1-O 3.14Å; H763-L768 HydrophobicContact CB-CG 4.31Å; H763-L768 WeakPolarHBondContact NE2-CD1 3.48Å; H763-E827 IonicContact CE1-OE1 3.65Å; H763-E827 IonicContact NE2-OE1 2.62Å; H763-I840 PolarHBondContact CD2-O 2.9Å; H763-I840 VanDerWaalsContact CD2-O 3.29Å; H763-I840 PolarHBondContact N-O 3.19Å; H763-I840 VanDerWaalsContact NE2-CG2 3.33Å; H763-I840 WeakPolarHBondContact NE2-CG2 3.47Å; H763-I840 PolarHBondContact O-N 2.72Å
764	K	78.7	Confident	77.1	Confident	119 Å²	119	66.4 Å²	66.4	52%	0.517	32%	0.32	S	S	.	.	S	Bend	trans	-122.2	9.5	167.5	-62.3	-172.5	179.6	-173.3	0	112.1	I837 L839	K764-I837 HydrophobicContact CB-CG2 4.08Å; K764-L839 HydrophobicContact CG-CD1 3.89Å
765	N	69.2	Low	77.2	Confident	75 Å²	75	71.8 Å²	71.8	40%	0.401	35%	0.347	S	S	.	.	S	Bend	trans	-107	150	179.5	-64.6	-30.7	0	0	0	108.6	H763 Q767 Y887	H763-N765 PolarHBondContact ND1-O 3.14Å; N765-Q767 WeakPolarHBondContact CB-O 3.44Å; N765-Q767 PolarHBondContact O-N 2.67Å; N765-Y887 HydrophobicContact CB-CE2 4.15Å; N765-Y887 WeakPolarHBondContact OD1-CE2 3.38Å
766	I	66.6	Low	77.2	Confident	79 Å²	79	70.1 Å²	70.1	41%	0.405	34%	0.338	S	S	.	.	S	Bend	trans	-63.3	-22.2	173.2	-59.6	175.3	0	0	0	111.7	I884 Y887 W888	I766-I884 HydrophobicContact CD1-CG1 4.22Å; I766-I884 HydrophobicContact CD1-CG2 4.21Å; I766-Y887 HydrophobicContact CD1-CD1 3.44Å; I766-Y887 VanDerWaalsContact CD1-CD1 3.44Å; I766-Y887 HydrophobicContact CD1-CE1 3.94Å; I766-Y887 HydrophobicContact CD1-CG 4.17Å; I766-Y887 HydrophobicContact CG1-CD1 3.74Å; I766-Y887 HydrophobicContact CG1-CE1 4.07Å; I766-Y887 HydrophobicContact CG1-CG 4.14Å; I766-W888 HydrophobicContact CD1-CZ2 4.49Å
767	Q	62.5	Low	77.4	Confident	156 Å²	156	72.7 Å²	72.7	73%	0.729	35%	0.347	S	S	*	.	S	Bend	trans	-117.4	134.6	173.5	-68.8	175.1	-39.7	0	0	109.8	N765	N765-Q767 WeakPolarHBondContact CB-O 3.44Å; N765-Q767 PolarHBondContact O-N 2.67Å
768	L	62.3	Low	77.6	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.209	34%	0.339	C	S	.	.			trans	-72.1	150.3	170.2	-85.1	86.2	0	0	0	111.7	H763 M773 R842	H763-L768 HydrophobicContact CB-CG 4.31Å; H763-L768 WeakPolarHBondContact NE2-CD1 3.48Å; L768-M773 HydrophobicContact CD2-CE 3.65Å; L768-M773 HydrophobicContact CD2-CG 4.43Å; L768-R842 HydrophobicContact CD1-CB 4.16Å; L768-R842 VanDerWaalsContact CD1-CD 3.49Å; L768-R842 HydrophobicContact CD1-CG 4.46Å; L768-R842 HydrophobicContact CD2-CB 4.04Å
769	D	62.1	Low	77.6	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	34%	0.338	S	S	.	.			trans	-83.8	125.1	148.1	-173	-12.4	0	0	0	108.7	N771 E772	D769-N771 PolarHBondContact O-N 2.77Å; D769-N771 VanDerWaalsContact O-N 3.15Å; D769-N771 WeakPolarHBondContact OD1-CB 3.5Å; D769-N771 PolarHBondContact OD1-N 2.8Å; D769-N771 PolarHBondContact OD1-ND2 2.64Å; D769-N771 PolarHBondContact OD2-ND2 2.7Å; D769-E772 HydrophobicContact CB-CG 4.31Å; D769-E772 PolarHBondContact O-N 2.8Å; D769-E772 VanDerWaalsContact O-N 3.1Å
770	Q	65.9	Low	77.7	Confident	170 Å²	170	65.8 Å²	65.8	79%	0.794	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22.1	177	-68.2	-174.8	-9.2	0	0	112.5	E772 M773	Q770-E772 PolarHBondContact O-N 2.86Å; Q770-M773 PolarHBondContact O-N 2.63Å
771	N	64.4	Low	77.6	Confident	134 Å²	134	65.6 Å²	65.6	72%	0.717	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.9	176.4	-62.2	-64.5	0	0	0	113.7	D769	D769-N771 PolarHBondContact O-N 2.77Å; D769-N771 VanDerWaalsContact O-N 3.15Å; D769-N771 WeakPolarHBondContact OD1-CB 3.5Å; D769-N771 PolarHBondContact OD1-N 2.8Å; D769-N771 PolarHBondContact OD1-ND2 2.64Å; D769-N771 PolarHBondContact OD2-ND2 2.7Å
772	E	73.4	Confident	77.2	Confident	74 Å²	74	67.3 Å²	67.3	35%	0.346	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-83.7	-14.6	178.4	-64.9	-171.8	112.5	0	0	113.5	D769 Q770 K774	D769-E772 HydrophobicContact CB-CG 4.31Å; D769-E772 PolarHBondContact O-N 2.8Å; D769-E772 VanDerWaalsContact O-N 3.1Å; Q770-E772 PolarHBondContact O-N 2.86Å; E772-K774 PolarHBondContact O-N 3.2Å
773	M	80.1	Confident	77	Confident	45 Å²	45	66.6 Å²	66.6	22%	0.222	32%	0.324	C	S	.	.			trans	-73.3	112.8	179.4	-81.4	-81.2	-179.2	0	0	112.4	K759 G761 L768 Q770 R842 T844	K759-M773 HydrophobicContact CB-SD 4.02Å; G761-M773 PolarHBondContact N-SD 2.68Å; G761-M773 VanDerWaalsContact N-SD 3.37Å; L768-M773 HydrophobicContact CD2-CE 3.65Å; L768-M773 HydrophobicContact CD2-CG 4.43Å; Q770-M773 PolarHBondContact O-N 2.63Å; M773-R842 HydrophobicContact CE-CB 3.87Å; M773-R842 HydrophobicContact CE-CG 3.83Å; M773-R842 WeakPolarHBondContact CE-O 3.42Å; M773-T844 VanDerWaalsContact CE-OG1 3.28Å; M773-T844 WeakPolarHBondContact CE-OG1 3.34Å
774	K	83.3	Confident	77.3	Confident	129 Å²	129	67.7 Å²	67.7	56%	0.561	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.9	179.6	-68.2	170.1	-172.9	166.2	0	111.3	K759 I760 E772 E776	K759-K774 CarbonylContact C-O 3.5Å; K759-K774 WeakPolarHBondContact CA-O 3.41Å; I760-K774 PolarHBondContact N-O 2.6Å; I760-K774 PolarHBondContact O-N 2.75Å; I760-K774 VanDerWaalsContact O-N 3.07Å; E772-K774 PolarHBondContact O-N 3.2Å; K774-E776 HydrophobicContact CB-CG 4.43Å; K774-E776 PolarHBondContact O-N 2.87Å
775	M	84.9	Confident	77.8	Confident	118 Å²	118	62.2 Å²	62.2	58%	0.581	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	116.9	170.3	-70.4	-67.9	-99	0	0	108.8	I758 K759	I758-M775 WeakPolarHBondContact O-CA 3.26Å; K759-M775 HydrophobicContact CB-SD 4.33Å; K759-M775 HydrophobicContact CD-SD 4.47Å; K759-M775 HydrophobicContact CG-CG 4.17Å; K759-M775 HydrophobicContact CG-SD 3.35Å; K759-M775 WeakPolarHBondContact CG-SD 3.34Å
776	E	88	Confident	78.7	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.6	176.9	-61.5	-177	-163.6	0	0	108.8	I758 I760 K774 L778 S787 L788 N803 R804	I758-E776 PolarHBondContact N-O 3.38Å; I758-E776 PolarHBondContact O-N 2.8Å; I758-E776 VanDerWaalsContact O-O 3.07Å; I760-E776 HydrophobicContact CD1-CB 4.16Å; I760-E776 HydrophobicContact CG1-CB 4.48Å; K774-E776 HydrophobicContact CB-CG 4.43Å; K774-E776 PolarHBondContact O-N 2.87Å; E776-L778 PolarHBondContact O-N 3.14Å; E776-S787 VanDerWaalsContact CB-OG 3.27Å; E776-S787 WeakPolarHBondContact CB-OG 3.39Å; E776-S787 WeakPolarHBondContact OE2-CB 3.39Å; E776-S787 PolarHBondContact OE2-OG 2.65Å; E776-L788 WeakPolarHBondContact CA-O 3.46Å; E776-N803 PolarHBondContact OE1-ND2 3.01Å; E776-N803 PolarHBondContact OE2-ND2 3.03Å; E776-R804 IonicContact OE1-CZ 2.61Å; E776-R804 IonicContact OE1-NH2 3.84Å; E776-R804 PolarHBondContact OE1-NH2 3.26Å; E776-R804 IonicContact OE2-CZ 3.94Å; E776-R804 IonicContact OE2-NE 3.62Å; E776-R804 IonicContact OE2-NH2 2.65Å; E776-R804 PolarHBondContact OE2-NH2 2.9Å
777	R	89.2	Confident	79.7	Confident	57 Å²	57	55.1 Å²	55.1	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107	179.3	178.3	162.3	-73.5	-157.5	-1.5	109.2	I755 D757 I779 L788 W800	I755-R777 HydrophobicContact CD1-CG 4.43Å; I755-R777 HydrophobicContact CG1-CG 4.05Å; D757-R777 WeakPolarHBondContact OD1-CA 3.38Å; D757-R777 WeakPolarHBondContact OD1-CB 3.47Å; D757-R777 WeakPolarHBondContact OD1-CG 3.39Å; D757-R777 IonicContact OD1-CZ 2.63Å; D757-R777 IonicContact OD1-NE 3.38Å; D757-R777 PolarHBondContact OD1-NE 3.29Å; D757-R777 IonicContact OD1-NH2 2.77Å; D757-R777 PolarHBondContact OD1-NH2 3.43Å; D757-R777 IonicContact OD2-CZ 3.07Å; D757-R777 IonicContact OD2-NE 3.25Å; D757-R777 IonicContact OD2-NH2 3.53Å; D757-R777 PolarHBondContact OD2-NH2 2.9Å; R777-I779 HydrophobicContact CG-CG1 4.4Å; R777-L788 HydrophobicContact CB-CB 4.21Å; R777-L788 PolarHBondContact N-O 3.4Å; R777-L788 PolarHBondContact O-N 3Å; R777-W800 HydrophobicContact CB-CE3 3.98Å; R777-W800 HydrophobicContact CB-CH2 4.03Å; R777-W800 HydrophobicContact CB-CZ3 3.48Å; R777-W800 VanDerWaalsContact CB-CZ3 3.48Å; R777-W800 HydrophobicContact CG-CZ3 4.36Å; R777-W800 VanDerWaalsContact NE-CH2 3.31Å
778	L	90.2	Very high	80.9	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131	-178.9	-166.5	61.8	0	0	0	110.3	I755 T756 I758 I760 E776 L785 I843 W854	I755-L778 WeakPolarHBondContact CA-O 3.28Å; T756-L778 PolarHBondContact N-O 3.43Å; T756-L778 PolarHBondContact O-N 2.61Å; I758-L778 HydrophobicContact CD1-CB 4.42Å; I758-L778 HydrophobicContact CD1-CD2 4.11Å; I760-L778 HydrophobicContact CD1-CB 4.19Å; I760-L778 HydrophobicContact CD1-CD1 3.84Å; I760-L778 HydrophobicContact CD1-CD2 4.43Å; I760-L778 HydrophobicContact CD1-CG 4.38Å; E776-L778 PolarHBondContact O-N 3.14Å; L778-L785 HydrophobicContact CD1-CD1 3.74Å; L778-L785 HydrophobicContact CD1-CD2 4.12Å; L778-L785 HydrophobicContact CD1-CG 3.79Å; L778-L785 HydrophobicContact CD2-CD1 4.36Å; L778-L785 HydrophobicContact CG-CD1 3.95Å; L778-I843 HydrophobicContact CD2-CD1 3.74Å; L778-W854 HydrophobicContact CB-CH2 4.01Å; L778-W854 HydrophobicContact CB-CZ2 3.9Å; L778-W854 HydrophobicContact CD2-CD2 4.33Å; L778-W854 HydrophobicContact CD2-CE3 4.19Å; L778-W854 HydrophobicContact CD2-CH2 3.66Å; L778-W854 HydrophobicContact CD2-CZ2 3.8Å; L778-W854 HydrophobicContact CD2-CZ3 3.84Å; L778-W854 HydrophobicContact CG-CH2 3.53Å; L778-W854 HydrophobicContact CG-CZ2 3.87Å; L778-W854 HydrophobicContact CG-CZ3 4.07Å
779	I	89	Confident	82	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.7	-179.5	-52.2	-178.9	0	0	0	109.8	F719 W720 I752 R754 I755 R777 L781 L786 L788	F719-I779 HydrophobicContact CE1-CD1 3.67Å; F719-I779 HydrophobicContact CZ-CD1 3.58Å; W720-I779 HydrophobicContact CH2-CD1 4.45Å; I752-I779 HydrophobicContact CG1-CG2 4.15Å; I752-I779 HydrophobicContact CG2-CG2 3.91Å; R754-I779 CarbonylContact O-C 3.59Å; R754-I779 VanDerWaalsContact O-CA 3.27Å; R754-I779 WeakPolarHBondContact O-CA 3.42Å; I755-I779 HydrophobicContact CB-CG1 4.39Å; I755-I779 HydrophobicContact CD1-CD1 3.86Å; I755-I779 HydrophobicContact CD1-CG1 4.04Å; I755-I779 HydrophobicContact CG1-CD1 4.36Å; I755-I779 HydrophobicContact CG1-CG1 3.98Å; R777-I779 HydrophobicContact CG-CG1 4.4Å; I779-L781 HydrophobicContact CG2-CD2 3.86Å; I779-L781 HydrophobicContact CG2-CG 4.29Å; I779-L786 HydrophobicContact CB-CB 4.3Å; I779-L786 PolarHBondContact N-O 3.5Å; I779-L786 PolarHBondContact O-N 3.02Å; I779-L788 HydrophobicContact CD1-CD1 3.53Å; I779-L788 HydrophobicContact CD1-CG 3.98Å
780	L	87.3	Confident	82.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.2	170.6	-173.1	60.9	0	0	0	110	I753 R754 L785 L808 W854 D857 I858 A861	I753-L780 HydrophobicContact CB-CB 4.24Å; I753-L780 HydrophobicContact CB-CD2 4.17Å; I753-L780 HydrophobicContact CB-CG 4.06Å; I753-L780 WeakPolarHBondContact CB-O 3.49Å; I753-L780 HydrophobicContact CD1-CG 4.38Å; I753-L780 HydrophobicContact CG2-CD2 3.87Å; I753-L780 HydrophobicContact CG2-CG 4.33Å; I753-L780 PolarHBondContact N-O 3.5Å; R754-L780 HydrophobicContact CB-CB 4.15Å; R754-L780 PolarHBondContact N-O 2.61Å; R754-L780 PolarHBondContact O-N 2.93Å; L780-L785 HydrophobicContact CB-CD1 4.49Å; L780-L785 HydrophobicContact CD1-CD1 4.11Å; L780-L808 HydrophobicContact CD1-CD1 4.04Å; L780-L808 HydrophobicContact CD1-CD2 4.05Å; L780-W854 HydrophobicContact CB-CH2 4.13Å; L780-W854 HydrophobicContact CB-CZ3 3.85Å; L780-D857 HydrophobicContact CD2-CB 3.67Å; L780-I858 HydrophobicContact CD1-CG1 4.17Å; L780-I858 HydrophobicContact CD2-CG1 4.23Å; L780-A861 HydrophobicContact CD1-CB 4.27Å; L780-A861 HydrophobicContact CD2-CB 4.34Å
781	L	85.5	Confident	83.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.			trans	-115.3	163.9	168.7	-53.2	-177.7	0	0	0	108.7	W720 F731 P750 I752 I779 D783 H784 L786	W720-L781 HydrophobicContact CH2-CD1 4.21Å; W720-L781 HydrophobicContact CH2-CD2 4.3Å; W720-L781 HydrophobicContact CZ2-CD1 4.47Å; W720-L781 HydrophobicContact CZ2-CD2 3.99Å; F731-L781 HydrophobicContact CE1-CD1 4.39Å; F731-L781 HydrophobicContact CZ-CD1 3.82Å; P750-L781 HydrophobicContact CG-CB 4.47Å; I752-L781 HydrophobicContact CB-CD2 4.48Å; I752-L781 HydrophobicContact CG1-CD2 3.96Å; I779-L781 HydrophobicContact CG2-CD2 3.86Å; I779-L781 HydrophobicContact CG2-CG 4.29Å; L781-D783 PolarHBondContact O-N 3.06Å; L781-D783 VanDerWaalsContact O-N 3.12Å; L781-H784 HydrophobicContact CB-CB 4.49Å; L781-H784 WeakPolarHBondContact CB-O 3.4Å; L781-H784 PolarHBondContact N-O 3.2Å; L781-H784 PolarHBondContact O-N 3.33Å; L781-L786 HydrophobicContact CD1-CD1 3.77Å; L781-L786 HydrophobicContact CD1-CG 4.2Å
782	P	75.8	Confident	83.4	Confident	36 Å²	36	44.6 Å²	44.6	23%	0.234	22%	0.219	C	C	.	.	S	Bend	trans	-55.1	-32.8	-177.3	-27.3	34.9	0	0	0	115	P750 I753 L808	P750-P782 HydrophobicContact CB-CG 4.22Å; I753-P782 HydrophobicContact CD1-CB 4.4Å; I753-P782 HydrophobicContact CD1-CG 4.06Å; I753-P782 HydrophobicContact CG1-CG 4.49Å; P782-L808 WeakPolarHBondContact O-CD1 3.46Å
783	D	79.5	Confident	82.6	Confident	66 Å²	66	47.9 Å²	47.9	35%	0.353	23%	0.234	S	C	.	.	S	Bend	trans	-109.1	-18.9	-177.5	-72.8	-68.7	0	0	0	114.8	L781 N807 L808 K865	L781-D783 PolarHBondContact O-N 3.06Å; L781-D783 VanDerWaalsContact O-N 3.12Å; D783-N807 PolarHBondContact O-OD1 3.22Å; D783-L808 PolarHBondContact O-N 3.24Å; D783-K865 PolarHBondContact O-NZ 3.06Å; D783-K865 WeakPolarHBondContact OD1-CE 3.04Å; D783-K865 IonicContact OD1-NZ 2.61Å; D783-K865 PolarHBondContact OD1-NZ 2.89Å; D783-K865 VanDerWaalsContact OD1-NZ 3.08Å
784	H	85.3	Confident	81.5	Confident	29 Å²	29	53.4 Å²	53.4	13%	0.134	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.3	-160.9	-65.5	112.8	0	0	0	112.4	I730 L781 L786 I806	I730-H784 PolarHBondContact O-CE1 2.7Å; L781-H784 HydrophobicContact CB-CB 4.49Å; L781-H784 WeakPolarHBondContact CB-O 3.4Å; L781-H784 PolarHBondContact N-O 3.2Å; L781-H784 PolarHBondContact O-N 3.33Å; H784-L786 HydrophobicContact CB-CD2 4.27Å; H784-I806 CarbonylContact C-O 3.53Å; H784-I806 WeakPolarHBondContact CA-O 3.3Å
785	L	88.9	Confident	80	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.8	166.4	-172.5	71	0	0	0	108.5	L778 L780 I806 L808 L811 L828 W854 I858	L778-L785 HydrophobicContact CD1-CD1 3.74Å; L778-L785 HydrophobicContact CD1-CD2 4.12Å; L778-L785 HydrophobicContact CD1-CG 3.79Å; L778-L785 HydrophobicContact CD2-CD1 4.36Å; L778-L785 HydrophobicContact CG-CD1 3.95Å; L780-L785 HydrophobicContact CB-CD1 4.49Å; L780-L785 HydrophobicContact CD1-CD1 4.11Å; L785-I806 HydrophobicContact CB-CB 4.41Å; L785-I806 PolarHBondContact N-O 3.44Å; L785-I806 PolarHBondContact O-N 2.77Å; L785-L808 HydrophobicContact CB-CD2 4.08Å; L785-L811 HydrophobicContact CB-CD2 4.32Å; L785-L811 HydrophobicContact CD2-CD2 3.7Å; L785-L828 HydrophobicContact CD2-CD1 3.65Å; L785-W854 HydrophobicContact CD1-CH2 4.42Å; L785-W854 HydrophobicContact CD1-CZ3 3.98Å; L785-I858 HydrophobicContact CD1-CD1 4.47Å
786	L	87.8	Confident	78.7	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.5	179.7	-52.7	-175.8	0	0	0	110.6	W720 I730 I779 L781 H784 R804 I805	W720-L786 HydrophobicContact CH2-CD1 4.03Å; W720-L786 HydrophobicContact CZ3-CD1 4.31Å; I730-L786 HydrophobicContact CD1-CD1 4.29Å; I730-L786 HydrophobicContact CD1-CD2 4.39Å; I779-L786 HydrophobicContact CB-CB 4.3Å; I779-L786 PolarHBondContact N-O 3.5Å; I779-L786 PolarHBondContact O-N 3.02Å; L781-L786 HydrophobicContact CD1-CD1 3.77Å; L781-L786 HydrophobicContact CD1-CG 4.2Å; H784-L786 HydrophobicContact CB-CD2 4.27Å; L786-R804 WeakPolarHBondContact CA-O 3.41Å; L786-I805 HydrophobicContact CD2-CB 4.01Å; L786-I805 HydrophobicContact CD2-CG1 3.71Å; L786-I805 HydrophobicContact CD2-CG2 3.86Å
787	S	88.1	Confident	77.6	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.1	167.3	-162.9	0	0	0	0	109.8	E776 N803 R804	E776-S787 VanDerWaalsContact CB-OG 3.27Å; E776-S787 WeakPolarHBondContact CB-OG 3.39Å; E776-S787 WeakPolarHBondContact OE2-CB 3.39Å; E776-S787 PolarHBondContact OE2-OG 2.65Å; S787-N803 WeakPolarHBondContact O-CA 3.5Å; S787-N803 WeakPolarHBondContact O-CB 3.22Å; S787-N803 PolarHBondContact O-N 3.05Å; S787-R804 PolarHBondContact N-O 3.1Å; S787-R804 PolarHBondContact O-N 3.06Å; S787-R804 VanDerWaalsContact O-N 3.14Å
788	L	87.8	Confident	76.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.6	176.7	-45.6	-178.5	0	0	0	111.3	F719 V723 I725 E776 R777 I779 W800 K801 V802	F719-L788 HydrophobicContact CE1-CD1 4.48Å; F719-L788 HydrophobicContact CZ-CD1 3.67Å; V723-L788 HydrophobicContact CG1-CD1 3.7Å; V723-L788 HydrophobicContact CG1-CD2 3.9Å; V723-L788 HydrophobicContact CG1-CG 4.41Å; V723-L788 HydrophobicContact CG2-CD1 4.07Å; I725-L788 HydrophobicContact CD1-CD2 4.5Å; E776-L788 WeakPolarHBondContact CA-O 3.46Å; R777-L788 HydrophobicContact CB-CB 4.21Å; R777-L788 PolarHBondContact N-O 3.4Å; R777-L788 PolarHBondContact O-N 3Å; I779-L788 HydrophobicContact CD1-CD1 3.53Å; I779-L788 HydrophobicContact CD1-CG 3.98Å; L788-W800 HydrophobicContact CB-CB 4.39Å; L788-W800 HydrophobicContact CB-CE3 3.95Å; L788-W800 HydrophobicContact CD1-CB 4.1Å; L788-W800 HydrophobicContact CD1-CG 4.48Å; L788-K801 CarbonylContact C-O 3.56Å; L788-K801 WeakPolarHBondContact CA-O 3.25Å; L788-V802 HydrophobicContact CD2-CB 4.26Å; L788-V802 HydrophobicContact CD2-CG2 3.42Å; L788-V802 VanDerWaalsContact CD2-CG2 3.42Å
789	K	85	Confident	75.8	Confident	119 Å²	119	61.8 Å²	61.8	52%	0.517	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136	171.2	-170.9	-163.3	168.8	-156.3	0	109.2	W800 K801 N803	K789-W800 WeakPolarHBondContact O-CA 3.36Å; K789-K801 PolarHBondContact N-O 3.46Å; K789-K801 PolarHBondContact O-N 2.82Å; K789-N803 HydrophobicContact CB-CB 4.3Å
790	N	82.1	Confident	75.4	Confident	73 Å²	73	63.4 Å²	63.4	39%	0.39	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.8	170.4	-169	-2.9	0	0	0	110.1	N792 C799 W800	N790-N792 VanDerWaalsContact CG-OD1 3.23Å; N790-N792 PolarHBondContact ND2-OD1 3.43Å; N790-N792 PolarHBondContact OD1-OD1 2.82Å; N790-C799 WeakPolarHBondContact CA-O 3.38Å; N790-C799 PolarHBondContact OD1-O 3.34Å; N790-W800 HydrophobicContact CB-CE3 4.08Å; N790-W800 HydrophobicContact CB-CH2 3.99Å; N790-W800 HydrophobicContact CB-CZ3 3.76Å
791	V	76.6	Confident	75.2	Confident	33 Å²	33	68.5 Å²	68.5	20%	0.2	36%	0.355	C	S	.	.			trans	-111.9	91.1	178.3	-177.8	0	0	0	0	108	E793 C799 K801	V791-E793 HydrophobicContact CG1-CB 3.96Å; V791-E793 HydrophobicContact CG1-CG 3.81Å; V791-E793 PolarHBondContact O-N 3.12Å; V791-C799 PolarHBondContact N-O 3.2Å; V791-K801 HydrophobicContact CG2-CB 3.64Å
792	N	64.2	Low	75.1	Confident	133 Å²	133	70.3 Å²	70.3	71%	0.711	37%	0.365	S	S	*	.			trans	-76.5	53.3	173.2	-65.1	23	0	0	0	111.1	N790	N790-N792 VanDerWaalsContact CG-OD1 3.23Å; N790-N792 PolarHBondContact ND2-OD1 3.43Å; N790-N792 PolarHBondContact OD1-OD1 2.82Å
793	E	56.1	Low	75.3	Confident	144 Å²	144	72 Å²	72	67%	0.673	37%	0.373	S	S	*	.			trans	-101.2	114	169.3	-68.2	-178.9	-162.2	0	0	107.6	V791 N795 S796	V791-E793 HydrophobicContact CG1-CB 3.96Å; V791-E793 HydrophobicContact CG1-CG 3.81Å; V791-E793 PolarHBondContact O-N 3.12Å; E793-N795 PolarHBondContact O-N 3.27Å; E793-S796 PolarHBondContact O-N 3.48Å; E793-S796 VanDerWaalsContact O-N 3.12Å; E793-S796 PolarHBondContact O-OG 2.76Å
794	D	57.9	Low	75.4	Confident	161 Å²	161	70.4 Å²	70.4	86%	0.861	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	1.2	-161.8	-59.6	-51.6	0	0	0	116.6
795	N	51.6	Low	75.3	Confident	159 Å²	159	72.9 Å²	72.9	85%	0.85	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	6.2	-177.1	-67.7	-68.8	0	0	0	114.7	E793	E793-N795 PolarHBondContact O-N 3.27Å
796	S	57.6	Low	75.1	Confident	48 Å²	48	73.5 Å²	73.5	34%	0.336	38%	0.378	S	S	.	.			trans	-83.4	129.9	177.6	60	0	0	0	0	112.4	E793 Y798	E793-S796 PolarHBondContact O-N 3.48Å; E793-S796 VanDerWaalsContact O-N 3.12Å; E793-S796 PolarHBondContact O-OG 2.76Å; S796-Y798 WeakPolarHBondContact CB-O 3.27Å; S796-Y798 PolarHBondContact O-N 2.94Å; S796-Y798 PolarHBondContact OG-O 2.88Å
797	V	63.5	Low	74.9	Confident	122 Å²	122	75.4 Å²	75.4	74%	0.739	39%	0.388	S	S	*	.	S	Bend	trans	-61.8	-34.3	174.2	178	0	0	0	0	111.1
798	Y	68	Low	74.7	Confident	113 Å²	113	75.2 Å²	75.2	44%	0.443	39%	0.387	S	S	.	.			trans	-84.5	126.7	171.4	-48	-72.8	0	0	0	109.9	K722 D724 S796	K722-Y798 CarbonylContact O-C 3.18Å; K722-Y798 WeakPolarHBondContact O-CA 3.16Å; D724-Y798 HydrophobicContact CB-CD1 4.47Å; D724-Y798 HydrophobicContact CB-CD2 4.14Å; D724-Y798 HydrophobicContact CB-CG 3.92Å; S796-Y798 WeakPolarHBondContact CB-O 3.27Å; S796-Y798 PolarHBondContact O-N 2.94Å; S796-Y798 PolarHBondContact OG-O 2.88Å
799	C	74.7	Confident	74.5	Confident	52 Å²	52	77.9 Å²	77.9	35%	0.351	40%	0.401	S	S	.	.	S	Bend	trans	-88.6	-19.7	173.1	-46	0	0	0	0	111.8	K722 N790 V791	K722-C799 PolarHBondContact O-N 2.64Å; N790-C799 WeakPolarHBondContact CA-O 3.38Å; N790-C799 PolarHBondContact OD1-O 3.34Å; V791-C799 PolarHBondContact N-O 3.2Å
800	W	81	Confident	74.5	Confident	34 Å²	34	75.4 Å²	75.4	13%	0.129	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143	-174.4	-62.3	91.8	0	0	0	110.6	K722 V723 D724 R777 L788 K789 N790	K722-W800 PolarHBondContact O-N 2.99Å; V723-W800 CarbonylContact C-O 3.57Å; V723-W800 WeakPolarHBondContact CA-O 3.25Å; V723-W800 HydrophobicContact CB-CB 4.34Å; V723-W800 HydrophobicContact CG1-CB 3.9Å; V723-W800 HydrophobicContact CG2-CB 4.17Å; D724-W800 PolarHBondContact N-O 2.84Å; R777-W800 HydrophobicContact CB-CE3 3.98Å; R777-W800 HydrophobicContact CB-CH2 4.03Å; R777-W800 HydrophobicContact CB-CZ3 3.48Å; R777-W800 VanDerWaalsContact CB-CZ3 3.48Å; R777-W800 HydrophobicContact CG-CZ3 4.36Å; R777-W800 VanDerWaalsContact NE-CH2 3.31Å; L788-W800 HydrophobicContact CB-CB 4.39Å; L788-W800 HydrophobicContact CB-CE3 3.95Å; L788-W800 HydrophobicContact CD1-CB 4.1Å; L788-W800 HydrophobicContact CD1-CG 4.48Å; K789-W800 WeakPolarHBondContact O-CA 3.36Å; N790-W800 HydrophobicContact CB-CE3 4.08Å; N790-W800 HydrophobicContact CB-CH2 3.99Å; N790-W800 HydrophobicContact CB-CZ3 3.76Å
801	K	82.9	Confident	74.7	Confident	107 Å²	107	72 Å²	72	47%	0.465	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.9	173	-174	177.4	-171.8	78	0	109.8	D724 L788 K789 V791 N803	D724-K801 HydrophobicContact CB-CB 4.42Å; D724-K801 HydrophobicContact CB-CG 4.36Å; D724-K801 WeakPolarHBondContact OD2-CG 3.17Å; D724-K801 IonicContact OD2-NZ 2.83Å; D724-K801 PolarHBondContact OD2-NZ 3.26Å; L788-K801 CarbonylContact C-O 3.56Å; L788-K801 WeakPolarHBondContact CA-O 3.25Å; K789-K801 PolarHBondContact N-O 3.46Å; K789-K801 PolarHBondContact O-N 2.82Å; V791-K801 HydrophobicContact CG2-CB 3.64Å; K801-N803 PolarHBondContact O-N 3.08Å
802	V	82.4	Confident	75.3	Confident	37 Å²	37	72.1 Å²	72.1	22%	0.224	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	125.7	169.9	160.4	0	0	0	0	109.9	I725 L788 I805	I725-V802 HydrophobicContact CD1-CG2 3.6Å; I725-V802 HydrophobicContact CG1-CB 4.44Å; I725-V802 HydrophobicContact CG1-CG2 3.4Å; I725-V802 VanDerWaalsContact CG1-CG2 3.4Å; L788-V802 HydrophobicContact CD2-CB 4.26Å; L788-V802 HydrophobicContact CD2-CG2 3.42Å; L788-V802 VanDerWaalsContact CD2-CG2 3.42Å; V802-I805 HydrophobicContact CG1-CD1 4.01Å; V802-I805 HydrophobicContact CG1-CG1 3.81Å
803	N	81.3	Confident	76.3	Confident	72 Å²	72	65.8 Å²	65.8	39%	0.385	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-37.6	171	-169	53.6	0	0	0	110.6	E776 S787 K789 K801	E776-N803 PolarHBondContact OE1-ND2 3.01Å; E776-N803 PolarHBondContact OE2-ND2 3.03Å; S787-N803 WeakPolarHBondContact O-CA 3.5Å; S787-N803 WeakPolarHBondContact O-CB 3.22Å; S787-N803 PolarHBondContact O-N 3.05Å; K789-N803 HydrophobicContact CB-CB 4.3Å; K801-N803 PolarHBondContact O-N 3.08Å
804	R	80.6	Confident	77.5	Confident	33 Å²	33	59.2 Å²	59.2	13%	0.125	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.4	-177.4	-50.3	178.4	-153.4	167.7	11.6	110.9	E776 L786 S787	E776-R804 IonicContact OE1-CZ 2.61Å; E776-R804 IonicContact OE1-NH2 3.84Å; E776-R804 PolarHBondContact OE1-NH2 3.26Å; E776-R804 IonicContact OE2-CZ 3.94Å; E776-R804 IonicContact OE2-NE 3.62Å; E776-R804 IonicContact OE2-NH2 2.65Å; E776-R804 PolarHBondContact OE2-NH2 2.9Å; L786-R804 WeakPolarHBondContact CA-O 3.41Å; S787-R804 PolarHBondContact N-O 3.1Å; S787-R804 PolarHBondContact O-N 3.06Å; S787-R804 VanDerWaalsContact O-N 3.14Å
805	I	84.3	Confident	77.9	Confident	80 Å²	80	56.7 Å²	56.7	41%	0.41	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.1	164.1	-62	147.8	0	0	0	106	I730 L786 V802	I730-I805 HydrophobicContact CD1-CD1 4.13Å; I730-I805 HydrophobicContact CD1-CG1 4.2Å; I730-I805 HydrophobicContact CG1-CD1 3.87Å; I730-I805 HydrophobicContact CG1-CG1 4.29Å; L786-I805 HydrophobicContact CD2-CB 4.01Å; L786-I805 HydrophobicContact CD2-CG1 3.71Å; L786-I805 HydrophobicContact CD2-CG2 3.86Å; V802-I805 HydrophobicContact CG1-CD1 4.01Å; V802-I805 HydrophobicContact CG1-CG1 3.81Å
806	I	83.3	Confident	78.5	Confident	18 Å²	18	53 Å²	53	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.6	177.9	-55.9	162.8	0	0	0	107.9	H784 L785 L811 F841	H784-I806 CarbonylContact C-O 3.53Å; H784-I806 WeakPolarHBondContact CA-O 3.3Å; L785-I806 HydrophobicContact CB-CB 4.41Å; L785-I806 PolarHBondContact N-O 3.44Å; L785-I806 PolarHBondContact O-N 2.77Å; I806-L811 HydrophobicContact CG2-CD1 4.06Å; I806-F841 HydrophobicContact CD1-CD2 3.99Å; I806-F841 HydrophobicContact CD1-CE2 3.43Å; I806-F841 VanDerWaalsContact CD1-CE2 3.43Å; I806-F841 HydrophobicContact CD1-CZ 3.75Å; I806-F841 HydrophobicContact CG1-CE2 4.29Å; I806-F841 HydrophobicContact CG1-CZ 4.46Å
807	N	85.2	Confident	78.2	Confident	40 Å²	40	52 Å²	52	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.2	171.8	178.7	1.6	0	0	0	109.9	D783 D809 E810 K865	D783-N807 PolarHBondContact O-OD1 3.22Å; N807-D809 VanDerWaalsContact CG-OD2 3.27Å; N807-D809 PolarHBondContact ND2-OD2 3.48Å; N807-D809 PolarHBondContact O-N 3.17Å; N807-D809 PolarHBondContact OD1-N 2.76Å; N807-D809 PolarHBondContact OD1-OD2 3.41Å; N807-E810 HydrophobicContact CB-CG 4.16Å; N807-E810 WeakPolarHBondContact O-CB 2.87Å; N807-E810 PolarHBondContact O-N 2.85Å; N807-E810 VanDerWaalsContact O-N 3.1Å; N807-K865 PolarHBondContact OD1-NZ 3.17Å
808	L	83.8	Confident	77.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63	-25.5	177.9	-66.3	178.2	0	0	0	113.6	L780 P782 D783 L785 E810 L811 A861 I862 K865	L780-L808 HydrophobicContact CD1-CD1 4.04Å; L780-L808 HydrophobicContact CD1-CD2 4.05Å; P782-L808 WeakPolarHBondContact O-CD1 3.46Å; D783-L808 PolarHBondContact O-N 3.24Å; L785-L808 HydrophobicContact CB-CD2 4.08Å; L808-E810 PolarHBondContact O-N 3.19Å; L808-L811 HydrophobicContact CD2-CD2 3.78Å; L808-L811 PolarHBondContact O-N 2.95Å; L808-L811 VanDerWaalsContact O-N 3.08Å; L808-A861 HydrophobicContact CD1-CB 3.66Å; L808-I862 HydrophobicContact CB-CG1 4.18Å; L808-I862 HydrophobicContact CD2-CG1 4.47Å; L808-K865 HydrophobicContact CB-CD 4.34Å
809	D	82.2	Confident	76.8	Confident	56 Å²	56	51.7 Å²	51.7	30%	0.299	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.9	-35.1	173.4	-59.6	-49.3	0	0	0	111.6	N807 L811 R812 K865	N807-D809 VanDerWaalsContact CG-OD2 3.27Å; N807-D809 PolarHBondContact ND2-OD2 3.48Å; N807-D809 PolarHBondContact O-N 3.17Å; N807-D809 PolarHBondContact OD1-N 2.76Å; N807-D809 PolarHBondContact OD1-OD2 3.41Å; D809-L811 VanDerWaalsContact C-N 3.32Å; D809-R812 PolarHBondContact O-NH1 3.15Å; D809-K865 VanDerWaalsContact CG-CE 3.41Å; D809-K865 VanDerWaalsContact OD1-CD 3.22Å; D809-K865 WeakPolarHBondContact OD1-CD 3.39Å; D809-K865 WeakPolarHBondContact OD1-CE 3.13Å; D809-K865 WeakPolarHBondContact OD1-CG 3.48Å; D809-K865 IonicContact OD1-NZ 2.63Å; D809-K865 WeakPolarHBondContact OD2-CE 3.21Å; D809-K865 IonicContact OD2-NZ 2.65Å; D809-K865 PolarHBondContact OD2-NZ 2.8Å
810	E	84.5	Confident	76	Confident	68 Å²	68	52.2 Å²	52.2	32%	0.318	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-84.6	-0.9	-178.9	-55.2	-172.7	-172	0	0	113.4	N807 L808 N830 I831 S832	N807-E810 HydrophobicContact CB-CG 4.16Å; N807-E810 WeakPolarHBondContact O-CB 2.87Å; N807-E810 PolarHBondContact O-N 2.85Å; N807-E810 VanDerWaalsContact O-N 3.1Å; L808-E810 PolarHBondContact O-N 3.19Å; E810-N830 CarbonylContact O-C 3.43Å; E810-N830 WeakPolarHBondContact O-CA 3.34Å; E810-N830 PolarHBondContact O-OD1 2.84Å; E810-N830 PolarHBondContact OE2-ND2 3.42Å; E810-I831 WeakPolarHBondContact O-CG1 3.16Å; E810-I831 PolarHBondContact O-N 2.87Å; E810-S832 WeakPolarHBondContact OE2-CB 3.34Å; E810-S832 PolarHBondContact OE2-OG 3.39Å
811	L	87.8	Confident	75.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.5	-166.2	-161.8	63.6	0	0	0	111.9	L785 I806 L808 D809 L828 I862	L785-L811 HydrophobicContact CB-CD2 4.32Å; L785-L811 HydrophobicContact CD2-CD2 3.7Å; I806-L811 HydrophobicContact CG2-CD1 4.06Å; L808-L811 HydrophobicContact CD2-CD2 3.78Å; L808-L811 PolarHBondContact O-N 2.95Å; L808-L811 VanDerWaalsContact O-N 3.08Å; D809-L811 VanDerWaalsContact C-N 3.32Å; L811-L828 HydrophobicContact CD1-CB 3.88Å; L811-L828 HydrophobicContact CD2-CD1 4.22Å; L811-L828 HydrophobicContact CG-CB 4.38Å; L811-I862 WeakPolarHBondContact O-CD1 3.45Å
812	R	87.8	Confident	74.5	Confident	36 Å²	36	55.6 Å²	55.6	14%	0.136	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.9	172.2	-64.2	-62.4	179.2	-68.2	-9	111.8	D809 W829 I831 L866 S872 A873 I875	D809-R812 PolarHBondContact O-NH1 3.15Å; R812-W829 PolarHBondContact N-O 2.89Å; R812-W829 PolarHBondContact O-N 2.81Å; R812-I831 HydrophobicContact CB-CG2 4.3Å; R812-I831 HydrophobicContact CG-CD1 3.98Å; R812-I831 HydrophobicContact CG-CG1 4.32Å; R812-I831 HydrophobicContact CG-CG2 4.06Å; R812-L866 VanDerWaalsContact NH2-CD1 3.29Å; R812-S872 WeakPolarHBondContact CD-O 3.17Å; R812-S872 PolarHBondContact NE-O 3.31Å; R812-A873 WeakPolarHBondContact CA-O 3.04Å; R812-A873 VanDerWaalsContact CD-O 3.32Å; R812-A873 WeakPolarHBondContact CD-O 3.07Å; R812-I875 HydrophobicContact CB-CB 4.05Å
813	V	85.9	Confident	74.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.4	180	-173.2	0	0	0	0	110.3	L828 V855 I858 R859 A873 N874 I875	V813-L828 HydrophobicContact CG2-CD2 4.01Å; V813-V855 HydrophobicContact CG1-CG1 3.76Å; V813-V855 HydrophobicContact CG1-CG2 4.18Å; V813-V855 HydrophobicContact CG2-CG1 4.43Å; V813-I858 HydrophobicContact CG2-CG2 4.12Å; V813-R859 HydrophobicContact CG2-CG 4.23Å; V813-A873 PolarHBondContact N-O 2.79Å; V813-N874 CarbonylContact O-C 3.56Å; V813-N874 WeakPolarHBondContact O-CA 3.22Å; V813-I875 PolarHBondContact O-N 3.28Å
814	G	80.8	Confident	74.5	Confident	5 Å²	5	60.8 Å²	60.8	5%	0.052	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-82.1	172.4	174.9	0	0	0	0	0	113.8	E827	G814-E827 PolarHBondContact N-O 3.25Å
815	E	66.2	Low	74.7	Confident	108 Å²	108	59.5 Å²	59.5	51%	0.505	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-71.3	151.8	173.5	-69.9	-177.6	157.9	0	0	111.3	K877	E815-K877 WeakPolarHBondContact OE1-CE 3.34Å; E815-K877 IonicContact OE1-NZ 2.75Å; E815-K877 PolarHBondContact OE1-NZ 3.37Å
816	Y	64.2	Low	74.9	Confident	81 Å²	81	55.8 Å²	55.8	32%	0.318	30%	0.298	S	S	.	.	S	Bend	trans	-85.8	138.5	-174.1	-53.8	-93.1	0	0	0	112.4	N818 F826 V855	Y816-N818 VanDerWaalsContact C-N 3.31Å; Y816-N818 PolarHBondContact O-N 3.44Å; Y816-N818 VanDerWaalsContact O-N 3.08Å; Y816-F826 HydrophobicContact CD1-CB 4.46Å; Y816-V855 HydrophobicContact CE1-CG1 4.4Å; Y816-V855 HydrophobicContact CE1-CG2 4.06Å; Y816-V855 VanDerWaalsContact OH-CG1 3.26Å; Y816-V855 WeakPolarHBondContact OH-CG1 3.4Å
817	G	52	Low	75.1	Confident	27 Å²	27	57 Å²	57	28%	0.278	30%	0.304	S	S	.	.			trans	58.2	30.5	153.5	0	0	0	0	0	117.1	D819 G820	G817-D819 PolarHBondContact O-N 2.97Å; G817-G820 PolarHBondContact O-N 3.32Å
818	N	49.2	Very low	75.3	Confident	141 Å²	141	55.1 Å²	55.1	75%	0.754	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.6	-177.5	-119.5	-22.8	0	0	0	114	Y816 G820	Y816-N818 VanDerWaalsContact C-N 3.31Å; Y816-N818 PolarHBondContact O-N 3.44Å; Y816-N818 VanDerWaalsContact O-N 3.08Å; N818-G820 PolarHBondContact O-N 3.27Å
819	D	53.4	Low	75.4	Confident	89 Å²	89	55.7 Å²	55.7	48%	0.476	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.6	175.4	-57.4	-19	0	0	0	113.6	G817 N821 R842	G817-D819 PolarHBondContact O-N 2.97Å; D819-N821 PolarHBondContact O-N 3.2Å; D819-N821 PolarHBondContact O-ND2 2.99Å; D819-R842 IonicContact OD2-CZ 3.55Å; D819-R842 IonicContact OD2-NH1 3.81Å; D819-R842 PolarHBondContact OD2-NH1 2.98Å; D819-R842 IonicContact OD2-NH2 2.7Å; D819-R842 PolarHBondContact OD2-NH2 2.77Å
820	G	57.6	Low	75.8	Confident	62 Å²	62	54.1 Å²	54.1	64%	0.639	29%	0.287	S	S	*	.	S	Bend	trans	69.9	-24.3	-174.2	0	0	0	0	0	115.4	G817 N818	G817-G820 PolarHBondContact O-N 3.32Å; N818-G820 PolarHBondContact O-N 3.27Å
821	N	61.5	Low	75.6	Confident	148 Å²	148	52.9 Å²	52.9	79%	0.791	28%	0.282	S	S	*	.	S	Bend	trans	-99.4	-17.2	-171.3	-64	-62.9	0	0	0	114.7	D819	D819-N821 PolarHBondContact O-N 3.2Å; D819-N821 PolarHBondContact O-ND2 2.99Å
822	D	71	Confident	75.2	Confident	65 Å²	65	55.4 Å²	55.4	35%	0.348	30%	0.3	S	S	.	.			trans	-118.2	48.7	-159.8	-108.2	-39	0	0	0	114	K824 S825 R842	D822-K824 PolarHBondContact O-N 3.44Å; D822-S825 PolarHBondContact O-N 3.45Å; D822-S825 PolarHBondContact O-OG 2.86Å; D822-S825 VanDerWaalsContact O-OG 3.08Å; D822-R842 IonicContact OD1-NH2 3.16Å; D822-R842 IonicContact OD2-CZ 3.27Å; D822-R842 IonicContact OD2-NH2 2.78Å; D822-R842 PolarHBondContact OD2-NH2 3.07Å
823	E	79.3	Confident	74.6	Confident	118 Å²	118	56.4 Å²	56.4	55%	0.551	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-24.5	-177.7	-63	-170	144.8	0	0	114.7	S825 I848 R851	E823-S825 VanDerWaalsContact C-N 3.33Å; E823-I848 HydrophobicContact CB-CD1 4.09Å; E823-I848 HydrophobicContact CB-CG1 4.25Å; E823-I848 VanDerWaalsContact OE2-CD1 3.22Å; E823-I848 WeakPolarHBondContact OE2-CD1 3.26Å; E823-R851 WeakPolarHBondContact O-CD 3.41Å; E823-R851 PolarHBondContact O-NH1 2.88Å
824	K	84.9	Confident	74.2	Confident	100 Å²	100	66 Å²	66	44%	0.435	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.7	-178.2	-65	-173.3	177.6	-165.9	0	114.5	D822 C845 P846 I848	D822-K824 PolarHBondContact O-N 3.44Å; K824-C845 PolarHBondContact O-N 3.38Å; K824-C845 VanDerWaalsContact O-N 3.08Å; K824-P846 WeakPolarHBondContact CD-O 3.14Å; K824-P846 WeakPolarHBondContact CE-O 3.06Å; K824-P846 PolarHBondContact NZ-O 3.03Å; K824-I848 HydrophobicContact CG-CG1 4.24Å
825	S	84.7	Confident	74.1	Confident	5 Å²	5	68.4 Å²	68.4	4%	0.035	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.2	-177.4	67.8	0	0	0	0	113.4	D822 E823 R842 I843	D822-S825 PolarHBondContact O-N 3.45Å; D822-S825 PolarHBondContact O-OG 2.86Å; D822-S825 VanDerWaalsContact O-OG 3.08Å; E823-S825 VanDerWaalsContact C-N 3.33Å; S825-R842 PolarHBondContact OG-NE 3.41Å; S825-R842 VanDerWaalsContact OG-NE 3.15Å; S825-R842 PolarHBondContact OG-NH2 3.1Å; S825-I843 CarbonylContact C-O 3.59Å; S825-I843 WeakPolarHBondContact CA-O 3.26Å; S825-I843 WeakPolarHBondContact CB-O 3.16Å
826	F	87.9	Confident	74.7	Confident	3 Å²	3	66.8 Å²	66.8	1%	0.013	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.1	171.7	72.2	-78.3	0	0	0	110.3	Y816 L828 I843 R851 W854 V855 I858	Y816-F826 HydrophobicContact CD1-CB 4.46Å; F826-L828 HydrophobicContact CD2-CD2 4.22Å; F826-L828 HydrophobicContact CD2-CG 4.16Å; F826-L828 HydrophobicContact CE2-CD1 3.96Å; F826-L828 HydrophobicContact CE2-CD2 3.82Å; F826-L828 HydrophobicContact CE2-CG 3.69Å; F826-I843 HydrophobicContact CD1-CB 4.03Å; F826-I843 HydrophobicContact CD1-CG2 4.19Å; F826-I843 HydrophobicContact CE1-CB 3.63Å; F826-I843 HydrophobicContact CE1-CD1 4.32Å; F826-I843 HydrophobicContact CE1-CG2 3.46Å; F826-I843 VanDerWaalsContact CE1-CG2 3.46Å; F826-I843 HydrophobicContact CE2-CD1 4.05Å; F826-I843 HydrophobicContact CZ-CB 3.92Å; F826-I843 HydrophobicContact CZ-CD1 3.71Å; F826-I843 HydrophobicContact CZ-CG1 4.41Å; F826-I843 HydrophobicContact CZ-CG2 3.91Å; F826-I843 PolarHBondContact N-O 2.89Å; F826-I843 PolarHBondContact O-N 3.12Å; F826-R851 HydrophobicContact CB-CG 4.13Å; F826-R851 HydrophobicContact CD1-CG 3.85Å; F826-R851 HydrophobicContact CG-CG 4.33Å; F826-W854 HydrophobicContact CE1-CB 4.01Å; F826-W854 HydrophobicContact CZ-CB 3.84Å; F826-W854 HydrophobicContact CZ-CG 4.49Å; F826-V855 HydrophobicContact CB-CG2 4.04Å; F826-V855 HydrophobicContact CD1-CG2 4.27Å; F826-V855 HydrophobicContact CD2-CG2 3.4Å; F826-V855 HydrophobicContact CE2-CG2 3.77Å; F826-V855 HydrophobicContact CG-CG2 3.66Å; F826-V855 HydrophobicContact CZ-CG2 4.35Å; F826-I858 HydrophobicContact CE2-CD1 4.32Å; F826-I858 HydrophobicContact CZ-CD1 4.48Å
827	E	87.3	Confident	75.5	Confident	43 Å²	43	65.1 Å²	65.1	20%	0.201	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.3	179.1	-65.6	-170.6	162.8	0	0	111.7	H763 G814 W829 I840 F841 R842	H763-E827 IonicContact CE1-OE1 3.65Å; H763-E827 IonicContact NE2-OE1 2.62Å; G814-E827 PolarHBondContact N-O 3.25Å; E827-W829 PolarHBondContact OE2-NE1 2.69Å; E827-I840 HydrophobicContact CB-CG2 3.95Å; E827-I840 HydrophobicContact CG-CG2 4.02Å; E827-F841 CarbonylContact C-O 3.53Å; E827-F841 WeakPolarHBondContact CA-O 3.43Å; E827-R842 HydrophobicContact CG-CB 4.46Å; E827-R842 HydrophobicContact CG-CG 4.37Å
828	L	89	Confident	77.1	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.5	166.8	-65.1	175.6	0	0	0	108.6	L785 L811 V813 F826 F841 I843 I858	L785-L828 HydrophobicContact CD2-CD1 3.65Å; L811-L828 HydrophobicContact CD1-CB 3.88Å; L811-L828 HydrophobicContact CD2-CD1 4.22Å; L811-L828 HydrophobicContact CG-CB 4.38Å; V813-L828 HydrophobicContact CG2-CD2 4.01Å; F826-L828 HydrophobicContact CD2-CD2 4.22Å; F826-L828 HydrophobicContact CD2-CG 4.16Å; F826-L828 HydrophobicContact CE2-CD1 3.96Å; F826-L828 HydrophobicContact CE2-CD2 3.82Å; F826-L828 HydrophobicContact CE2-CG 3.69Å; L828-F841 HydrophobicContact CB-CB 4.41Å; L828-F841 PolarHBondContact N-O 2.73Å; L828-F841 PolarHBondContact O-N 2.97Å; L828-I843 HydrophobicContact CD1-CD1 3.41Å; L828-I843 VanDerWaalsContact CD1-CD1 3.41Å; L828-I843 HydrophobicContact CG-CD1 4.11Å; L828-I858 HydrophobicContact CD1-CD1 3.71Å; L828-I858 HydrophobicContact CD2-CD1 4.15Å; L828-I858 HydrophobicContact CD2-CG2 4.17Å
829	W	87.3	Confident	78.8	Confident	13 Å²	13	60.6 Å²	60.6	5%	0.049	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.5	-177.6	-75.4	59.8	0	0	0	109.2	R812 E827 I831 K838 I840 I875 V880 H883	R812-W829 PolarHBondContact N-O 2.89Å; R812-W829 PolarHBondContact O-N 2.81Å; E827-W829 PolarHBondContact OE2-NE1 2.69Å; W829-I831 PolarHBondContact O-N 3.29Å; W829-K838 HydrophobicContact CE3-CB 4.04Å; W829-K838 HydrophobicContact CE3-CG 4.5Å; W829-K838 HydrophobicContact CZ3-CB 4.35Å; W829-I840 HydrophobicContact CD2-CD1 4.21Å; W829-I840 HydrophobicContact CD2-CG1 3.84Å; W829-I840 HydrophobicContact CE3-CD1 4.37Å; W829-I840 HydrophobicContact CE3-CG1 4.07Å; W829-I840 HydrophobicContact CG-CG1 4.37Å; W829-I840 HydrophobicContact CG-CG2 4.42Å; W829-I840 HydrophobicContact CH2-CD1 3.66Å; W829-I840 HydrophobicContact CH2-CG1 4.26Å; W829-I840 HydrophobicContact CZ2-CD1 3.42Å; W829-I840 VanDerWaalsContact CZ2-CD1 3.42Å; W829-I840 HydrophobicContact CZ2-CG1 4.02Å; W829-I840 HydrophobicContact CZ3-CD1 4.13Å; W829-I840 HydrophobicContact CZ3-CG1 4.29Å; W829-I875 HydrophobicContact CB-CD1 3.67Å; W829-I875 HydrophobicContact CD2-CD1 3.4Å; W829-I875 HydrophobicContact CE3-CD1 3.27Å; W829-I875 HydrophobicContact CG-CD1 3.59Å; W829-I875 HydrophobicContact CZ3-CD1 4.03Å; W829-V880 HydrophobicContact CH2-CB 4.39Å; W829-V880 HydrophobicContact CH2-CG1 4.11Å; W829-V880 HydrophobicContact CH2-CG2 4.23Å; W829-V880 HydrophobicContact CZ2-CG1 4.37Å; W829-V880 HydrophobicContact CZ2-CG2 4.36Å; W829-V880 HydrophobicContact CZ3-CG2 4.48Å; W829-H883 HydrophobicContact CH2-CB 4.05Å; W829-H883 AromaticContact CH2-CG 3.84Å; W829-H883 HydrophobicContact CZ3-CB 3.67Å; W829-H883 AromaticContact CZ3-CG 3.64Å; W829-H883 AromaticContact CZ3-ND1 3.68Å
830	N	88.6	Confident	80.3	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.123	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	112.9	167.1	-173.3	-20.9	0	0	0	108.7	E810 S832 K838 L839 F841	E810-N830 CarbonylContact O-C 3.43Å; E810-N830 WeakPolarHBondContact O-CA 3.34Å; E810-N830 PolarHBondContact O-OD1 2.84Å; E810-N830 PolarHBondContact OE2-ND2 3.42Å; N830-S832 WeakPolarHBondContact OD1-CB 3.15Å; N830-S832 PolarHBondContact OD1-N 2.9Å; N830-S832 PolarHBondContact OD1-OG 3.22Å; N830-K838 WeakPolarHBondContact O-CB 3.18Å; N830-L839 HydrophobicContact CB-CB 4.45Å; N830-L839 PolarHBondContact N-O 2.93Å; N830-F841 HydrophobicContact CB-CE2 4.21Å
831	I	81.8	Confident	81.7	Confident	41 Å²	41	54.2 Å²	54.2	21%	0.21	30%	0.299	C	S	.	.			trans	-89.7	-2.3	-179.2	60.7	157.1	0	0	0	113.8	E810 R812 W829 K838 I875 I879	E810-I831 WeakPolarHBondContact O-CG1 3.16Å; E810-I831 PolarHBondContact O-N 2.87Å; R812-I831 HydrophobicContact CB-CG2 4.3Å; R812-I831 HydrophobicContact CG-CD1 3.98Å; R812-I831 HydrophobicContact CG-CG1 4.32Å; R812-I831 HydrophobicContact CG-CG2 4.06Å; W829-I831 PolarHBondContact O-N 3.29Å; I831-K838 PolarHBondContact O-NZ 2.92Å; I831-I875 HydrophobicContact CG2-CD1 4.43Å; I831-I879 HydrophobicContact CG2-CD1 4.37Å
832	S	79.4	Confident	82.8	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	27%	0.267	S	S	.	.			trans	-69.6	161.6	-179	71.5	0	0	0	0	114.3	E810 N830 K838	E810-S832 WeakPolarHBondContact OE2-CB 3.34Å; E810-S832 PolarHBondContact OE2-OG 3.39Å; N830-S832 WeakPolarHBondContact OD1-CB 3.15Å; N830-S832 PolarHBondContact OD1-N 2.9Å; N830-S832 PolarHBondContact OD1-OG 3.22Å; S832-K838 PolarHBondContact O-NZ 3Å
833	G	75.5	Confident	83.6	Confident	57 Å²	57	45.5 Å²	45.5	59%	0.588	25%	0.251	S	S	*	.	S	Bend	trans	69	154.9	-173	0	0	0	0	0	114.5	A835 K838	G833-A835 PolarHBondContact O-N 2.81Å; G833-K838 PolarHBondContact O-NZ 3.47Å
834	E	76.5	Confident	84	Confident	201 Å²	201	41.7 Å²	41.7	94%	0.939	24%	0.235	S	C	*	.	S	Bend	trans	-74.5	-5.1	179.4	-60.1	-178.5	160.1	0	0	113.7
835	A	78.7	Confident	84.2	Confident	57 Å²	57	37 Å²	37	47%	0.471	22%	0.216	S	C	.	.			trans	-63.8	130.6	-179	0	0	0	0	0	111.3	G833 K838	G833-A835 PolarHBondContact O-N 2.81Å; A835-K838 WeakPolarHBondContact O-CD 3.31Å; A835-K838 VanDerWaalsContact O-CE 3.28Å; A835-K838 WeakPolarHBondContact O-CE 3.07Å; A835-K838 PolarHBondContact O-NZ 2.79Å
836	P	78.3	Confident	84.2	Confident	73 Å²	73	40 Å²	40	47%	0.474	24%	0.235	S	C	.	.	S	Bend	trans	-74.1	-30.2	179.8	29	-35.2	0	0	0	112.4	K838 H883 A886	P836-K838 VanDerWaalsContact C-N 3.34Å; P836-K838 PolarHBondContact O-N 3.03Å; P836-H883 WeakPolarHBondContact O-CA 3.02Å; P836-A886 HydrophobicContact CB-CB 3.69Å; P836-A886 HydrophobicContact CG-CB 3.67Å
837	I	82.5	Confident	84	Confident	47 Å²	47	43.1 Å²	43.1	24%	0.241	25%	0.251	C	S	.	.	S	Bend	trans	-80.9	85.6	172.3	-53.4	179.6	0	0	0	108.8	K764 A886	K764-I837 HydrophobicContact CB-CG2 4.08Å; I837-A886 HydrophobicContact CD1-CB 4.46Å; I837-A886 HydrophobicContact CG1-CB 3.74Å
838	K	84.7	Confident	83.9	Confident	26 Å²	26	43.9 Å²	43.9	11%	0.113	26%	0.256	C	S	.	.			trans	-60.4	160.6	172.6	-59.3	-52.5	-177.6	176.9	0	113	W829 N830 I831 S832 G833 A835 P836 I879 H883	W829-K838 HydrophobicContact CE3-CB 4.04Å; W829-K838 HydrophobicContact CE3-CG 4.5Å; W829-K838 HydrophobicContact CZ3-CB 4.35Å; N830-K838 WeakPolarHBondContact O-CB 3.18Å; I831-K838 PolarHBondContact O-NZ 2.92Å; S832-K838 PolarHBondContact O-NZ 3Å; G833-K838 PolarHBondContact O-NZ 3.47Å; A835-K838 WeakPolarHBondContact O-CD 3.31Å; A835-K838 VanDerWaalsContact O-CE 3.28Å; A835-K838 WeakPolarHBondContact O-CE 3.07Å; A835-K838 PolarHBondContact O-NZ 2.79Å; P836-K838 VanDerWaalsContact C-N 3.34Å; P836-K838 PolarHBondContact O-N 3.03Å; K838-I879 HydrophobicContact CG-CG2 4.05Å; K838-H883 PolarHBondContact N-ND1 3.12Å; K838-H883 PolarHBondContact O-CE1 3.24Å; K838-H883 VanDerWaalsContact O-CE1 3.29Å; K838-H883 PolarHBondContact O-ND1 2.89Å
839	L	84.8	Confident	83.8	Confident	46 Å²	46	50 Å²	50	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.8	172.6	179.8	67.7	0	0	0	109.1	Q762 K764 N830 F841	Q762-L839 HydrophobicContact CB-CD1 4.5Å; K764-L839 HydrophobicContact CG-CD1 3.89Å; N830-L839 HydrophobicContact CB-CB 4.45Å; N830-L839 PolarHBondContact N-O 2.93Å; L839-F841 HydrophobicContact CD2-CE1 3.84Å; L839-F841 HydrophobicContact CD2-CE2 4.22Å; L839-F841 HydrophobicContact CD2-CZ 3.48Å; L839-F841 VanDerWaalsContact CD2-CZ 3.48Å; L839-F841 HydrophobicContact CG-CE1 4.23Å; L839-F841 HydrophobicContact CG-CE2 4.5Å; L839-F841 HydrophobicContact CG-CZ 4.06Å
840	I	84.6	Confident	83.7	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.1	-177.9	-48.3	169.5	0	0	0	108.7	Q762 H763 E827 W829	Q762-I840 CarbonylContact C-O 3.47Å; Q762-I840 WeakPolarHBondContact CA-O 3.42Å; H763-I840 PolarHBondContact CD2-O 2.9Å; H763-I840 VanDerWaalsContact CD2-O 3.29Å; H763-I840 PolarHBondContact N-O 3.19Å; H763-I840 VanDerWaalsContact NE2-CG2 3.33Å; H763-I840 WeakPolarHBondContact NE2-CG2 3.47Å; H763-I840 PolarHBondContact O-N 2.72Å; E827-I840 HydrophobicContact CB-CG2 3.95Å; E827-I840 HydrophobicContact CG-CG2 4.02Å; W829-I840 HydrophobicContact CD2-CD1 4.21Å; W829-I840 HydrophobicContact CD2-CG1 3.84Å; W829-I840 HydrophobicContact CE3-CD1 4.37Å; W829-I840 HydrophobicContact CE3-CG1 4.07Å; W829-I840 HydrophobicContact CG-CG1 4.37Å; W829-I840 HydrophobicContact CG-CG2 4.42Å; W829-I840 HydrophobicContact CH2-CD1 3.66Å; W829-I840 HydrophobicContact CH2-CG1 4.26Å; W829-I840 HydrophobicContact CZ2-CD1 3.42Å; W829-I840 VanDerWaalsContact CZ2-CD1 3.42Å; W829-I840 HydrophobicContact CZ2-CG1 4.02Å; W829-I840 HydrophobicContact CZ3-CD1 4.13Å; W829-I840 HydrophobicContact CZ3-CG1 4.29Å
841	F	86.8	Confident	83.7	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.7	171.6	-56.9	-70.1	0	0	0	109.1	G761 Q762 I806 E827 L828 N830 L839	G761-F841 WeakPolarHBondContact O-CA 3.04Å; Q762-F841 HydrophobicContact CB-CD1 3.76Å; Q762-F841 HydrophobicContact CB-CE1 3.92Å; I806-F841 HydrophobicContact CD1-CD2 3.99Å; I806-F841 HydrophobicContact CD1-CE2 3.43Å; I806-F841 VanDerWaalsContact CD1-CE2 3.43Å; I806-F841 HydrophobicContact CD1-CZ 3.75Å; I806-F841 HydrophobicContact CG1-CE2 4.29Å; I806-F841 HydrophobicContact CG1-CZ 4.46Å; E827-F841 CarbonylContact C-O 3.53Å; E827-F841 WeakPolarHBondContact CA-O 3.43Å; L828-F841 HydrophobicContact CB-CB 4.41Å; L828-F841 PolarHBondContact N-O 2.73Å; L828-F841 PolarHBondContact O-N 2.97Å; N830-F841 HydrophobicContact CB-CE2 4.21Å; L839-F841 HydrophobicContact CD2-CE1 3.84Å; L839-F841 HydrophobicContact CD2-CE2 4.22Å; L839-F841 HydrophobicContact CD2-CZ 3.48Å; L839-F841 VanDerWaalsContact CD2-CZ 3.48Å; L839-F841 HydrophobicContact CG-CE1 4.23Å; L839-F841 HydrophobicContact CG-CE2 4.5Å; L839-F841 HydrophobicContact CG-CZ 4.06Å
842	R	85.4	Confident	84	Confident	29 Å²	29	51.5 Å²	51.5	11%	0.109	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.9	174.5	-170.4	172.5	169.6	-179.6	-13.2	109.3	G761 L768 M773 D819 D822 S825 E827	G761-R842 PolarHBondContact N-O 2.77Å; G761-R842 PolarHBondContact O-N 2.93Å; L768-R842 HydrophobicContact CD1-CB 4.16Å; L768-R842 VanDerWaalsContact CD1-CD 3.49Å; L768-R842 HydrophobicContact CD1-CG 4.46Å; L768-R842 HydrophobicContact CD2-CB 4.04Å; M773-R842 HydrophobicContact CE-CB 3.87Å; M773-R842 HydrophobicContact CE-CG 3.83Å; M773-R842 WeakPolarHBondContact CE-O 3.42Å; D819-R842 IonicContact OD2-CZ 3.55Å; D819-R842 IonicContact OD2-NH1 3.81Å; D819-R842 PolarHBondContact OD2-NH1 2.98Å; D819-R842 IonicContact OD2-NH2 2.7Å; D819-R842 PolarHBondContact OD2-NH2 2.77Å; D822-R842 IonicContact OD1-NH2 3.16Å; D822-R842 IonicContact OD2-CZ 3.27Å; D822-R842 IonicContact OD2-NH2 2.78Å; D822-R842 PolarHBondContact OD2-NH2 3.07Å; S825-R842 PolarHBondContact OG-NE 3.41Å; S825-R842 VanDerWaalsContact OG-NE 3.15Å; S825-R842 PolarHBondContact OG-NH2 3.1Å; E827-R842 HydrophobicContact CG-CB 4.46Å; E827-R842 HydrophobicContact CG-CG 4.37Å
843	I	88	Confident	84.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.3	-177.2	-64.5	169.3	0	0	0	108.1	I758 I760 L778 S825 F826 L828	I758-I843 HydrophobicContact CB-CG2 4.3Å; I758-I843 HydrophobicContact CD1-CG2 3.91Å; I758-I843 HydrophobicContact CG2-CG2 3.61Å; I760-I843 HydrophobicContact CG1-CG1 4.33Å; I760-I843 HydrophobicContact CG2-CG1 4.24Å; L778-I843 HydrophobicContact CD2-CD1 3.74Å; S825-I843 CarbonylContact C-O 3.59Å; S825-I843 WeakPolarHBondContact CA-O 3.26Å; S825-I843 WeakPolarHBondContact CB-O 3.16Å; F826-I843 HydrophobicContact CD1-CB 4.03Å; F826-I843 HydrophobicContact CD1-CG2 4.19Å; F826-I843 HydrophobicContact CE1-CB 3.63Å; F826-I843 HydrophobicContact CE1-CD1 4.32Å; F826-I843 HydrophobicContact CE1-CG2 3.46Å; F826-I843 VanDerWaalsContact CE1-CG2 3.46Å; F826-I843 HydrophobicContact CE2-CD1 4.05Å; F826-I843 HydrophobicContact CZ-CB 3.92Å; F826-I843 HydrophobicContact CZ-CD1 3.71Å; F826-I843 HydrophobicContact CZ-CG1 4.41Å; F826-I843 HydrophobicContact CZ-CG2 3.91Å; F826-I843 PolarHBondContact N-O 2.89Å; F826-I843 PolarHBondContact O-N 3.12Å; L828-I843 HydrophobicContact CD1-CD1 3.41Å; L828-I843 VanDerWaalsContact CD1-CD1 3.41Å; L828-I843 HydrophobicContact CG-CD1 4.11Å
844	T	87.2	Confident	85	Confident	37 Å²	37	46.8 Å²	46.8	23%	0.227	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.5	-176.1	-51	0	0	0	0	110.9	I758 K759 M773	I758-T844 VanDerWaalsContact CG2-C 3.47Å; I758-T844 WeakPolarHBondContact CG2-O 3.11Å; K759-T844 PolarHBondContact O-N 3.29Å; M773-T844 VanDerWaalsContact CE-OG1 3.28Å; M773-T844 WeakPolarHBondContact CE-OG1 3.34Å
845	C	88.3	Confident	85.5	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.02	21%	0.209	C	C	.	.			trans	-69	158.3	-178	-76	0	0	0	0	112.9	K824 N847 R851	K824-C845 PolarHBondContact O-N 3.38Å; K824-C845 VanDerWaalsContact O-N 3.08Å; C845-N847 VanDerWaalsContact C-N 3.29Å; C845-N847 PolarHBondContact O-N 3.49Å; C845-R851 HydrophobicContact CB-CB 4.07Å
846	P	84.7	Confident	85.9	Confident	67 Å²	67	37.5 Å²	37.5	44%	0.435	20%	0.2	S	C	.	.	S	Bend	trans	-64.8	-32.3	177.8	25.3	-34.4	0	0	0	113.1	K824	K824-P846 WeakPolarHBondContact CD-O 3.14Å; K824-P846 WeakPolarHBondContact CE-O 3.06Å; K824-P846 PolarHBondContact NZ-O 3.03Å
847	N	85.6	Confident	86.3	Confident	68 Å²	68	34.3 Å²	34.3	36%	0.364	18%	0.179	S	C	.	.	S	Bend	trans	-147.2	167.5	178.3	63.2	15.8	0	0	0	111.6	C845 I849 S850 R851	C845-N847 VanDerWaalsContact C-N 3.29Å; C845-N847 PolarHBondContact O-N 3.49Å; N847-I849 VanDerWaalsContact C-N 3.31Å; N847-I849 PolarHBondContact O-N 3.07Å; N847-S850 PolarHBondContact O-N 3.1Å; N847-S850 WeakPolarHBondContact OD1-CB 3.34Å; N847-S850 PolarHBondContact OD1-N 3.32Å; N847-R851 PolarHBondContact O-N 3.03Å
848	I	84.8	Confident	86.5	Confident	60 Å²	60	32 Å²	32	31%	0.308	17%	0.168	S	C	.	.	H	α-helix	trans	-66.7	-33.3	-177.6	-57.6	167.4	0	0	0	111.1	E823 K824 R851 N852	E823-I848 HydrophobicContact CB-CD1 4.09Å; E823-I848 HydrophobicContact CB-CG1 4.25Å; E823-I848 VanDerWaalsContact OE2-CD1 3.22Å; E823-I848 WeakPolarHBondContact OE2-CD1 3.26Å; K824-I848 HydrophobicContact CG-CG1 4.24Å; I848-R851 WeakPolarHBondContact O-CB 3.45Å; I848-R851 PolarHBondContact O-N 3.41Å; I848-N852 VanDerWaalsContact O-CG 3.27Å; I848-N852 PolarHBondContact O-N 3.3Å; I848-N852 PolarHBondContact O-OD1 2.88Å
849	I	85.9	Confident	86.6	Confident	130 Å²	130	32.7 Å²	32.7	67%	0.667	17%	0.17	S	C	*	.	H	α-helix	trans	-61.2	-49.7	176.5	-58.5	172.6	0	0	0	110.4	N847 R851 N852 A853	N847-I849 VanDerWaalsContact C-N 3.31Å; N847-I849 PolarHBondContact O-N 3.07Å; I849-R851 VanDerWaalsContact C-N 3.3Å; I849-R851 PolarHBondContact O-N 3.14Å; I849-N852 PolarHBondContact O-N 3.33Å; I849-A853 VanDerWaalsContact O-CB 3.26Å; I849-A853 WeakPolarHBondContact O-CB 3.43Å; I849-A853 PolarHBondContact O-N 3.39Å
850	S	85.4	Confident	86.6	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-35.7	177.3	178.1	0	0	0	0	112.2	S216 R754 N847 W854	S216-S850 VanDerWaalsContact CB-OG 3.3Å; S216-S850 WeakPolarHBondContact CB-OG 3.33Å; S216-S850 PolarHBondContact OG-OG 3.16Å; R754-S850 PolarHBondContact NH2-O 2.85Å; R754-S850 VanDerWaalsContact NH2-O 3.08Å; R754-S850 PolarHBondContact NH2-OG 2.72Å; N847-S850 PolarHBondContact O-N 3.1Å; N847-S850 WeakPolarHBondContact OD1-CB 3.34Å; N847-S850 PolarHBondContact OD1-N 3.32Å; S850-W854 WeakPolarHBondContact O-CB 3.42Å; S850-W854 PolarHBondContact O-N 3.44Å
851	R	88.7	Confident	86.5	Confident	34 Å²	34	36.6 Å²	36.6	13%	0.128	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-56.5	172.1	179.3	-156.6	76.4	166.2	10	111.5	E823 F826 C845 N847 I848 I849 A853 W854 V855	E823-R851 WeakPolarHBondContact O-CD 3.41Å; E823-R851 PolarHBondContact O-NH1 2.88Å; F826-R851 HydrophobicContact CB-CG 4.13Å; F826-R851 HydrophobicContact CD1-CG 3.85Å; F826-R851 HydrophobicContact CG-CG 4.33Å; C845-R851 HydrophobicContact CB-CB 4.07Å; N847-R851 PolarHBondContact O-N 3.03Å; I848-R851 WeakPolarHBondContact O-CB 3.45Å; I848-R851 PolarHBondContact O-N 3.41Å; I849-R851 VanDerWaalsContact C-N 3.3Å; I849-R851 PolarHBondContact O-N 3.14Å; R851-A853 VanDerWaalsContact C-N 3.32Å; R851-A853 PolarHBondContact O-N 2.99Å; R851-W854 PolarHBondContact O-N 2.96Å; R851-W854 VanDerWaalsContact O-N 3.11Å; R851-V855 PolarHBondContact O-N 2.85Å
852	N	87.3	Confident	86.4	Confident	67 Å²	67	36 Å²	36	36%	0.358	18%	0.18	S	C	.	.	H	α-helix	trans	-56.2	-50.7	-178.5	-67.8	0.1	0	0	0	110.3	I848 I849 W854 V855 E856	I848-N852 VanDerWaalsContact O-CG 3.27Å; I848-N852 PolarHBondContact O-N 3.3Å; I848-N852 PolarHBondContact O-OD1 2.88Å; I849-N852 PolarHBondContact O-N 3.33Å; N852-W854 VanDerWaalsContact C-N 3.33Å; N852-W854 PolarHBondContact O-N 2.95Å; N852-V855 PolarHBondContact O-N 3.22Å; N852-E856 PolarHBondContact O-N 3.09Å
853	A	87.3	Confident	86.2	Confident	12 Å²	12	38.2 Å²	38.2	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-45.2	176.2	0	0	0	0	0	112.2	Q218 R754 I849 R851 V855 E856 D857	Q218-A853 HydrophobicContact CG-CB 3.92Å; R754-A853 PolarHBondContact NH1-O 3.3Å; I849-A853 VanDerWaalsContact O-CB 3.26Å; I849-A853 WeakPolarHBondContact O-CB 3.43Å; I849-A853 PolarHBondContact O-N 3.39Å; R851-A853 VanDerWaalsContact C-N 3.32Å; R851-A853 PolarHBondContact O-N 2.99Å; A853-V855 VanDerWaalsContact C-N 3.31Å; A853-V855 PolarHBondContact O-N 2.98Å; A853-E856 PolarHBondContact O-N 2.62Å; A853-D857 PolarHBondContact O-N 3.25Å; A853-D857 VanDerWaalsContact O-OD1 3.09Å
854	W	90	Very high	85.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-35.8	-179.4	-103.4	116	0	0	0	112.3	R754 T756 I758 L778 L780 L785 F826 S850 R851 N852 I858	R754-W854 HydrophobicContact CB-CH2 4.14Å; R754-W854 HydrophobicContact CB-CZ2 4.31Å; R754-W854 HydrophobicContact CG-CD2 4.5Å; R754-W854 HydrophobicContact CG-CH2 4.03Å; R754-W854 HydrophobicContact CG-CZ2 3.69Å; T756-W854 HydrophobicContact CG2-CZ2 3.81Å; T756-W854 WeakPolarHBondContact OG1-CZ2 3.47Å; T756-W854 PolarHBondContact OG1-NE1 3.15Å; I758-W854 HydrophobicContact CD1-CG 4.49Å; I758-W854 HydrophobicContact CD1-CZ2 4.31Å; L778-W854 HydrophobicContact CB-CH2 4.01Å; L778-W854 HydrophobicContact CB-CZ2 3.9Å; L778-W854 HydrophobicContact CD2-CD2 4.33Å; L778-W854 HydrophobicContact CD2-CE3 4.19Å; L778-W854 HydrophobicContact CD2-CH2 3.66Å; L778-W854 HydrophobicContact CD2-CZ2 3.8Å; L778-W854 HydrophobicContact CD2-CZ3 3.84Å; L778-W854 HydrophobicContact CG-CH2 3.53Å; L778-W854 HydrophobicContact CG-CZ2 3.87Å; L778-W854 HydrophobicContact CG-CZ3 4.07Å; L780-W854 HydrophobicContact CB-CH2 4.13Å; L780-W854 HydrophobicContact CB-CZ3 3.85Å; L785-W854 HydrophobicContact CD1-CH2 4.42Å; L785-W854 HydrophobicContact CD1-CZ3 3.98Å; F826-W854 HydrophobicContact CE1-CB 4.01Å; F826-W854 HydrophobicContact CZ-CB 3.84Å; F826-W854 HydrophobicContact CZ-CG 4.49Å; S850-W854 WeakPolarHBondContact O-CB 3.42Å; S850-W854 PolarHBondContact O-N 3.44Å; R851-W854 PolarHBondContact O-N 2.96Å; R851-W854 VanDerWaalsContact O-N 3.11Å; N852-W854 VanDerWaalsContact C-N 3.33Å; N852-W854 PolarHBondContact O-N 2.95Å; W854-I858 HydrophobicContact CE3-CD1 3.74Å; W854-I858 HydrophobicContact CE3-CG1 4.05Å; W854-I858 HydrophobicContact CZ3-CD1 4.12Å; W854-I858 HydrophobicContact CZ3-CG1 4.32Å; W854-I858 WeakPolarHBondContact O-CB 3.46Å; W854-I858 WeakPolarHBondContact O-CD1 3.4Å; W854-I858 VanDerWaalsContact O-CG1 3.25Å; W854-I858 WeakPolarHBondContact O-CG1 3.25Å; W854-I858 PolarHBondContact O-N 3.03Å
855	V	86.7	Confident	85.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-42.6	176.5	168.7	0	0	0	0	111.2	V813 Y816 F826 R851 N852 A853 I858 R859	V813-V855 HydrophobicContact CG1-CG1 3.76Å; V813-V855 HydrophobicContact CG1-CG2 4.18Å; V813-V855 HydrophobicContact CG2-CG1 4.43Å; Y816-V855 HydrophobicContact CE1-CG1 4.4Å; Y816-V855 HydrophobicContact CE1-CG2 4.06Å; Y816-V855 VanDerWaalsContact OH-CG1 3.26Å; Y816-V855 WeakPolarHBondContact OH-CG1 3.4Å; F826-V855 HydrophobicContact CB-CG2 4.04Å; F826-V855 HydrophobicContact CD1-CG2 4.27Å; F826-V855 HydrophobicContact CD2-CG2 3.4Å; F826-V855 HydrophobicContact CE2-CG2 3.77Å; F826-V855 HydrophobicContact CG-CG2 3.66Å; F826-V855 HydrophobicContact CZ-CG2 4.35Å; R851-V855 PolarHBondContact O-N 2.85Å; N852-V855 PolarHBondContact O-N 3.22Å; A853-V855 VanDerWaalsContact C-N 3.31Å; A853-V855 PolarHBondContact O-N 2.98Å; V855-I858 PolarHBondContact O-N 3.48Å; V855-R859 HydrophobicContact CG1-CG 4.29Å; V855-R859 WeakPolarHBondContact O-CB 3.3Å; V855-R859 WeakPolarHBondContact O-CG 3.47Å; V855-R859 PolarHBondContact O-N 2.95Å
856	E	86.1	Confident	84.9	Confident	63 Å²	63	46.2 Å²	46.2	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-46.9	175.4	-66.7	-45.3	126.5	0	0	112.1	N852 A853 I858 R859 Y860	N852-E856 PolarHBondContact O-N 3.09Å; A853-E856 PolarHBondContact O-N 2.62Å; E856-I858 VanDerWaalsContact C-N 3.26Å; E856-I858 PolarHBondContact O-N 3.3Å; E856-R859 WeakPolarHBondContact O-CB 3.45Å; E856-R859 PolarHBondContact O-N 3.05Å; E856-R859 WeakPolarHBondContact OE1-CD 3.29Å; E856-R859 IonicContact OE1-CZ 2.64Å; E856-R859 IonicContact OE1-NE 3.04Å; E856-R859 IonicContact OE1-NH1 2.66Å; E856-R859 PolarHBondContact OE1-NH1 3.17Å; E856-Y860 WeakPolarHBondContact O-CD2 3.37Å; E856-Y860 PolarHBondContact O-N 3.22Å
857	D	86.9	Confident	84.5	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-42.4	177.7	-57.8	-14.3	0	0	0	111.8	Q218 T220 R754 L780 A853 Y860 A861	Q218-D857 PolarHBondContact NE2-OD1 3.35Å; T220-D857 WeakPolarHBondContact CG2-OD1 3.14Å; R754-D857 WeakPolarHBondContact CD-OD2 3.42Å; R754-D857 IonicContact CZ-OD2 3.12Å; R754-D857 IonicContact NE-OD2 3.83Å; R754-D857 IonicContact NH1-OD2 2.61Å; R754-D857 PolarHBondContact NH1-OD2 3.28Å; L780-D857 HydrophobicContact CD2-CB 3.67Å; A853-D857 PolarHBondContact O-N 3.25Å; A853-D857 VanDerWaalsContact O-OD1 3.09Å; D857-Y860 PolarHBondContact O-N 2.62Å; D857-A861 WeakPolarHBondContact O-CB 3.48Å; D857-A861 PolarHBondContact O-N 3.43Å
858	I	87.4	Confident	84	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-41.4	176.9	-72.2	172.1	0	0	0	111.2	L780 L785 V813 F826 L828 W854 V855 E856 A861 I862	L780-I858 HydrophobicContact CD1-CG1 4.17Å; L780-I858 HydrophobicContact CD2-CG1 4.23Å; L785-I858 HydrophobicContact CD1-CD1 4.47Å; V813-I858 HydrophobicContact CG2-CG2 4.12Å; F826-I858 HydrophobicContact CE2-CD1 4.32Å; F826-I858 HydrophobicContact CZ-CD1 4.48Å; L828-I858 HydrophobicContact CD1-CD1 3.71Å; L828-I858 HydrophobicContact CD2-CD1 4.15Å; L828-I858 HydrophobicContact CD2-CG2 4.17Å; W854-I858 HydrophobicContact CE3-CD1 3.74Å; W854-I858 HydrophobicContact CE3-CG1 4.05Å; W854-I858 HydrophobicContact CZ3-CD1 4.12Å; W854-I858 HydrophobicContact CZ3-CG1 4.32Å; W854-I858 WeakPolarHBondContact O-CB 3.46Å; W854-I858 WeakPolarHBondContact O-CD1 3.4Å; W854-I858 VanDerWaalsContact O-CG1 3.25Å; W854-I858 WeakPolarHBondContact O-CG1 3.25Å; W854-I858 PolarHBondContact O-N 3.03Å; V855-I858 PolarHBondContact O-N 3.48Å; E856-I858 VanDerWaalsContact C-N 3.26Å; E856-I858 PolarHBondContact O-N 3.3Å; I858-A861 PolarHBondContact O-N 2.94Å; I858-I862 HydrophobicContact CG2-CD1 3.56Å; I858-I862 HydrophobicContact CG2-CG1 4.35Å; I858-I862 WeakPolarHBondContact O-CB 3.47Å; I858-I862 WeakPolarHBondContact O-CD1 3.39Å; I858-I862 VanDerWaalsContact O-CG1 3.22Å; I858-I862 WeakPolarHBondContact O-CG1 3.11Å; I858-I862 PolarHBondContact O-N 3.35Å
859	R	86.2	Confident	83.4	Confident	40 Å²	40	52.3 Å²	52.3	15%	0.151	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-44.8	174.3	-78.3	167.1	166.4	-174.4	-8.6	111.5	V813 V855 E856 K863 I870 A873 N874	V813-R859 HydrophobicContact CG2-CG 4.23Å; V855-R859 HydrophobicContact CG1-CG 4.29Å; V855-R859 WeakPolarHBondContact O-CB 3.3Å; V855-R859 WeakPolarHBondContact O-CG 3.47Å; V855-R859 PolarHBondContact O-N 2.95Å; E856-R859 WeakPolarHBondContact O-CB 3.45Å; E856-R859 PolarHBondContact O-N 3.05Å; E856-R859 WeakPolarHBondContact OE1-CD 3.29Å; E856-R859 IonicContact OE1-CZ 2.64Å; E856-R859 IonicContact OE1-NE 3.04Å; E856-R859 IonicContact OE1-NH1 2.66Å; E856-R859 PolarHBondContact OE1-NH1 3.17Å; R859-K863 WeakPolarHBondContact O-CB 3.43Å; R859-K863 PolarHBondContact O-N 3.38Å; R859-I870 HydrophobicContact CB-CG2 4.38Å; R859-A873 HydrophobicContact CB-CB 4.38Å; R859-A873 HydrophobicContact CG-CB 4.15Å; R859-N874 PolarHBondContact NE-OD1 2.69Å; R859-N874 PolarHBondContact NH2-OD1 3.11Å
860	Y	84.4	Confident	82.8	Confident	127 Å²	127	48.7 Å²	48.7	50%	0.498	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-42.1	178	-88.2	-95.3	0	0	0	112.1	E856 D857 K863 E864	E856-Y860 WeakPolarHBondContact O-CD2 3.37Å; E856-Y860 PolarHBondContact O-N 3.22Å; D857-Y860 PolarHBondContact O-N 2.62Å; Y860-K863 WeakPolarHBondContact O-CB 3.48Å; Y860-K863 PolarHBondContact O-N 2.92Å; Y860-E864 WeakPolarHBondContact O-CB 3.44Å; Y860-E864 PolarHBondContact O-N 3.4Å
861	A	84.1	Confident	82.1	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-42.9	175.4	0	0	0	0	0	112.4	L780 L808 D857 I858 K863 E864 K865	L780-A861 HydrophobicContact CD1-CB 4.27Å; L780-A861 HydrophobicContact CD2-CB 4.34Å; L808-A861 HydrophobicContact CD1-CB 3.66Å; D857-A861 WeakPolarHBondContact O-CB 3.48Å; D857-A861 PolarHBondContact O-N 3.43Å; I858-A861 PolarHBondContact O-N 2.94Å; A861-K863 VanDerWaalsContact C-N 3.33Å; A861-K863 PolarHBondContact O-N 2.83Å; A861-E864 PolarHBondContact O-N 2.78Å; A861-K865 WeakPolarHBondContact O-CB 3.39Å; A861-K865 PolarHBondContact O-N 2.72Å
862	I	84.1	Confident	81.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-38.5	174	-67.8	165.1	0	0	0	111.1	L808 L811 I858 L866 A873	L808-I862 HydrophobicContact CB-CG1 4.18Å; L808-I862 HydrophobicContact CD2-CG1 4.47Å; L811-I862 WeakPolarHBondContact O-CD1 3.45Å; I858-I862 HydrophobicContact CG2-CD1 3.56Å; I858-I862 HydrophobicContact CG2-CG1 4.35Å; I858-I862 WeakPolarHBondContact O-CB 3.47Å; I858-I862 WeakPolarHBondContact O-CD1 3.39Å; I858-I862 VanDerWaalsContact O-CG1 3.22Å; I858-I862 WeakPolarHBondContact O-CG1 3.11Å; I858-I862 PolarHBondContact O-N 3.35Å; I862-L866 HydrophobicContact CG2-CD1 3.56Å; I862-L866 HydrophobicContact CG2-CG 4.21Å; I862-L866 VanDerWaalsContact O-CB 3.29Å; I862-L866 WeakPolarHBondContact O-CB 3.42Å; I862-L866 WeakPolarHBondContact O-CG 3.32Å; I862-L866 PolarHBondContact O-N 2.94Å; I862-A873 HydrophobicContact CB-CB 3.96Å; I862-A873 HydrophobicContact CD1-CB 4.29Å; I862-A873 HydrophobicContact CG2-CB 3.66Å
863	K	81.1	Confident	81	Confident	77 Å²	77	52.9 Å²	52.9	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-47.7	176.1	-175.7	-149.9	-171.2	175.5	0	111.9	R859 Y860 A861 K865 H867 N868 I870	R859-K863 WeakPolarHBondContact O-CB 3.43Å; R859-K863 PolarHBondContact O-N 3.38Å; Y860-K863 WeakPolarHBondContact O-CB 3.48Å; Y860-K863 PolarHBondContact O-N 2.92Å; A861-K863 VanDerWaalsContact C-N 3.33Å; A861-K863 PolarHBondContact O-N 2.83Å; K863-K865 VanDerWaalsContact C-N 3.31Å; K863-K865 PolarHBondContact O-N 2.83Å; K863-H867 WeakPolarHBondContact O-CA 3.48Å; K863-H867 PolarHBondContact O-N 3.06Å; K863-N868 WeakPolarHBondContact CG-O 3.25Å; K863-I870 HydrophobicContact CD-CD1 4.31Å; K863-I870 HydrophobicContact CD-CG1 3.69Å; K863-I870 HydrophobicContact CG-CG1 4.11Å
864	E	79	Confident	80.8	Confident	121 Å²	121	54.8 Å²	54.8	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-60.1	-42.9	177.2	-174.3	173.1	-175.3	0	0	110.5	Y860 A861 H867	Y860-E864 WeakPolarHBondContact O-CB 3.44Å; Y860-E864 PolarHBondContact O-N 3.4Å; A861-E864 PolarHBondContact O-N 2.78Å; E864-H867 PolarHBondContact O-CE1 2.96Å; E864-H867 VanDerWaalsContact O-CE1 3.23Å; E864-H867 PolarHBondContact O-ND1 2.78Å; E864-H867 VanDerWaalsContact O-ND1 3.11Å
865	K	78.5	Confident	80.5	Confident	47 Å²	47	55.7 Å²	55.7	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-55.4	177.9	-166.2	168.8	-170.2	176.4	0	113.1	D783 N807 L808 D809 A861 K863 H867	D783-K865 PolarHBondContact O-NZ 3.06Å; D783-K865 WeakPolarHBondContact OD1-CE 3.04Å; D783-K865 IonicContact OD1-NZ 2.61Å; D783-K865 PolarHBondContact OD1-NZ 2.89Å; D783-K865 VanDerWaalsContact OD1-NZ 3.08Å; N807-K865 PolarHBondContact OD1-NZ 3.17Å; L808-K865 HydrophobicContact CB-CD 4.34Å; D809-K865 VanDerWaalsContact CG-CE 3.41Å; D809-K865 VanDerWaalsContact OD1-CD 3.22Å; D809-K865 WeakPolarHBondContact OD1-CD 3.39Å; D809-K865 WeakPolarHBondContact OD1-CE 3.13Å; D809-K865 WeakPolarHBondContact OD1-CG 3.48Å; D809-K865 IonicContact OD1-NZ 2.63Å; D809-K865 WeakPolarHBondContact OD2-CE 3.21Å; D809-K865 IonicContact OD2-NZ 2.65Å; D809-K865 PolarHBondContact OD2-NZ 2.8Å; A861-K865 WeakPolarHBondContact O-CB 3.39Å; A861-K865 PolarHBondContact O-N 2.72Å; K863-K865 VanDerWaalsContact C-N 3.31Å; K863-K865 PolarHBondContact O-N 2.83Å; K865-H867 VanDerWaalsContact C-N 3.31Å; K865-H867 PolarHBondContact O-N 3.14Å; K865-H867 PolarHBondContact O-ND1 3.18Å
866	L	79.2	Confident	80.3	Confident	42 Å²	42	58.3 Å²	58.3	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-78	-10.1	-174.5	-63.8	177.9	0	0	0	114.5	R812 I862 N868	R812-L866 VanDerWaalsContact NH2-CD1 3.29Å; I862-L866 HydrophobicContact CG2-CD1 3.56Å; I862-L866 HydrophobicContact CG2-CG 4.21Å; I862-L866 VanDerWaalsContact O-CB 3.29Å; I862-L866 WeakPolarHBondContact O-CB 3.42Å; I862-L866 WeakPolarHBondContact O-CG 3.32Å; I862-L866 PolarHBondContact O-N 2.94Å; L866-N868 HydrophobicContact CB-CB 4.34Å; L866-N868 PolarHBondContact O-N 3.41Å; L866-N868 PolarHBondContact O-ND2 3.31Å
867	H	75.2	Confident	80.2	Confident	169 Å²	169	61.5 Å²	61.5	78%	0.782	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	27.4	-177.6	-65.4	57.4	0	0	0	114.1	K863 E864 K865	K863-H867 WeakPolarHBondContact O-CA 3.48Å; K863-H867 PolarHBondContact O-N 3.06Å; E864-H867 PolarHBondContact O-CE1 2.96Å; E864-H867 VanDerWaalsContact O-CE1 3.23Å; E864-H867 PolarHBondContact O-ND1 2.78Å; E864-H867 VanDerWaalsContact O-ND1 3.11Å; K865-H867 VanDerWaalsContact C-N 3.31Å; K865-H867 PolarHBondContact O-N 3.14Å; K865-H867 PolarHBondContact O-ND1 3.18Å
868	N	74.7	Confident	80.1	Confident	94 Å²	94	64.4 Å²	64.4	50%	0.503	32%	0.324	S	S	.	.	S	Bend	trans	-115.4	176.6	-172.8	-77.9	-47.4	0	0	0	113	K863 L866 S872	K863-N868 WeakPolarHBondContact CG-O 3.25Å; L866-N868 HydrophobicContact CB-CB 4.34Å; L866-N868 PolarHBondContact O-N 3.41Å; L866-N868 PolarHBondContact O-ND2 3.31Å; N868-S872 VanDerWaalsContact CB-OG 3.3Å; N868-S872 WeakPolarHBondContact CB-OG 3.45Å
869	S	73.1	Confident	79.9	Confident	60 Å²	60	66.6 Å²	66.6	42%	0.42	34%	0.335	S	S	.	.			trans	-57.5	146.2	172.4	178.7	0	0	0	0	111.6	E871 S872	S869-E871 PolarHBondContact O-N 3.36Å; S869-E871 VanDerWaalsContact O-N 3.16Å; S869-E871 PolarHBondContact OG-N 3.08Å; S869-E871 PolarHBondContact OG-OE2 3.32Å; S869-S872 WeakPolarHBondContact O-CB 3.17Å; S869-S872 PolarHBondContact O-N 3.14Å; S869-S872 PolarHBondContact O-OG 2.83Å
870	I	73.7	Confident	79.8	Confident	53 Å²	53	66.5 Å²	66.5	27%	0.272	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.7	-33.4	174.1	-64.7	172.2	0	0	0	111	R859 K863 S872 A873	R859-I870 HydrophobicContact CB-CG2 4.38Å; K863-I870 HydrophobicContact CD-CD1 4.31Å; K863-I870 HydrophobicContact CD-CG1 3.69Å; K863-I870 HydrophobicContact CG-CG1 4.11Å; I870-S872 PolarHBondContact O-N 2.99Å; I870-A873 WeakPolarHBondContact O-CB 3.26Å; I870-A873 PolarHBondContact O-N 2.98Å; I870-A873 VanDerWaalsContact O-N 3.08Å
871	E	70.9	Confident	79.8	Confident	150 Å²	150	66.4 Å²	66.4	70%	0.701	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.1	177.8	-60.7	159	125.8	0	0	112.3	S869 A873 N874	S869-E871 PolarHBondContact O-N 3.36Å; S869-E871 VanDerWaalsContact O-N 3.16Å; S869-E871 PolarHBondContact OG-N 3.08Å; S869-E871 PolarHBondContact OG-OE2 3.32Å; E871-A873 PolarHBondContact O-N 3.44Å; E871-N874 WeakPolarHBondContact O-CB 3.33Å; E871-N874 PolarHBondContact O-N 2.97Å; E871-N874 VanDerWaalsContact O-N 3.16Å; E871-N874 PolarHBondContact O-ND2 3.21Å
872	S	73.5	Confident	79.8	Confident	45 Å²	45	69.1 Å²	69.1	32%	0.315	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-73	-9.5	-179.6	75.4	0	0	0	0	114.5	R812 N868 S869 I870	R812-S872 WeakPolarHBondContact CD-O 3.17Å; R812-S872 PolarHBondContact NE-O 3.31Å; N868-S872 VanDerWaalsContact CB-OG 3.3Å; N868-S872 WeakPolarHBondContact CB-OG 3.45Å; S869-S872 WeakPolarHBondContact O-CB 3.17Å; S869-S872 PolarHBondContact O-N 3.14Å; S869-S872 PolarHBondContact O-OG 2.83Å; I870-S872 PolarHBondContact O-N 2.99Å
873	A	78	Confident	79.8	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-81.9	-16.7	171	0	0	0	0	0	112.7	R812 V813 R859 I862 I870 E871	R812-A873 WeakPolarHBondContact CA-O 3.04Å; R812-A873 VanDerWaalsContact CD-O 3.32Å; R812-A873 WeakPolarHBondContact CD-O 3.07Å; V813-A873 PolarHBondContact N-O 2.79Å; R859-A873 HydrophobicContact CB-CB 4.38Å; R859-A873 HydrophobicContact CG-CB 4.15Å; I862-A873 HydrophobicContact CB-CB 3.96Å; I862-A873 HydrophobicContact CD1-CB 4.29Å; I862-A873 HydrophobicContact CG2-CB 3.66Å; I870-A873 WeakPolarHBondContact O-CB 3.26Å; I870-A873 PolarHBondContact O-N 2.98Å; I870-A873 VanDerWaalsContact O-N 3.08Å; E871-A873 PolarHBondContact O-N 3.44Å
874	N	84	Confident	80	Confident	52 Å²	52	68.7 Å²	68.7	28%	0.278	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-81.1	154.8	169.8	-52.8	-59.3	0	0	0	110.3	V813 R859 E871	V813-N874 CarbonylContact O-C 3.56Å; V813-N874 WeakPolarHBondContact O-CA 3.22Å; R859-N874 PolarHBondContact NE-OD1 2.69Å; R859-N874 PolarHBondContact NH2-OD1 3.11Å; E871-N874 WeakPolarHBondContact O-CB 3.33Å; E871-N874 PolarHBondContact O-N 2.97Å; E871-N874 VanDerWaalsContact O-N 3.16Å; E871-N874 PolarHBondContact O-ND2 3.21Å
875	I	84	Confident	80.4	Confident	19 Å²	19	68.8 Å²	68.8	10%	0.097	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-73.5	139.5	175.7	-168.8	165	0	0	0	111.7	R812 V813 W829 I831 I879 V880	R812-I875 HydrophobicContact CB-CB 4.05Å; V813-I875 PolarHBondContact O-N 3.28Å; W829-I875 HydrophobicContact CB-CD1 3.67Å; W829-I875 HydrophobicContact CD2-CD1 3.4Å; W829-I875 HydrophobicContact CE3-CD1 3.27Å; W829-I875 HydrophobicContact CG-CD1 3.59Å; W829-I875 HydrophobicContact CZ3-CD1 4.03Å; I831-I875 HydrophobicContact CG2-CD1 4.43Å; I875-I879 HydrophobicContact CD1-CB 4.1Å; I875-I879 HydrophobicContact CD1-CG2 3.83Å; I875-I879 HydrophobicContact CG1-CB 4.06Å; I875-I879 HydrophobicContact CG1-CD1 4.46Å; I875-I879 HydrophobicContact CG1-CG2 4.3Å; I875-V880 HydrophobicContact CB-CG2 4.5Å; I875-V880 HydrophobicContact CD1-CG2 3.87Å; I875-V880 HydrophobicContact CG1-CG2 4.03Å; I875-V880 HydrophobicContact CG2-CG2 3.68Å
876	S	83	Confident	80.7	Confident	55 Å²	55	67.4 Å²	67.4	39%	0.385	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-74.5	139.1	173.7	69.6	0	0	0	0	111.1	S878 I879 V880	S876-S878 PolarHBondContact O-N 2.97Å; S876-S878 VanDerWaalsContact O-N 3.13Å; S876-S878 PolarHBondContact OG-OG 3.06Å; S876-I879 PolarHBondContact O-N 3.37Å; S876-I879 WeakPolarHBondContact OG-CD1 3.04Å; S876-I879 WeakPolarHBondContact OG-CG1 3.34Å; S876-V880 PolarHBondContact O-N 3.16Å
877	K	83.3	Confident	81	Confident	130 Å²	130	67.2 Å²	67.2	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-56.1	-34	-178.7	-60.1	-163.7	173.5	-146.7	0	112.6	E815 I879 V880 E881	E815-K877 WeakPolarHBondContact OE1-CE 3.34Å; E815-K877 IonicContact OE1-NZ 2.75Å; E815-K877 PolarHBondContact OE1-NZ 3.37Å; K877-I879 VanDerWaalsContact C-N 3.32Å; K877-I879 PolarHBondContact O-N 3.07Å; K877-V880 PolarHBondContact O-N 3.18Å; K877-V880 VanDerWaalsContact O-N 3.15Å; K877-E881 WeakPolarHBondContact O-CB 3.47Å; K877-E881 VanDerWaalsContact O-CG 3.31Å; K877-E881 WeakPolarHBondContact O-CG 3.38Å; K877-E881 PolarHBondContact O-N 2.93Å
878	S	84.3	Confident	81.3	Confident	66 Å²	66	64.9 Å²	64.9	46%	0.462	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-34.8	172.6	53.5	0	0	0	0	114.9	S876 S882	S876-S878 PolarHBondContact O-N 2.97Å; S876-S878 VanDerWaalsContact O-N 3.13Å; S876-S878 PolarHBondContact OG-OG 3.06Å; S878-S882 VanDerWaalsContact O-CB 3.27Å; S878-S882 WeakPolarHBondContact O-CB 3.46Å; S878-S882 PolarHBondContact O-N 3.39Å; S878-S882 PolarHBondContact O-OG 3.06Å
879	I	83.4	Confident	81.8	Confident	47 Å²	47	62.8 Å²	62.8	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-76.8	-38.5	177.3	-62.2	168	0	0	0	110	I831 K838 I875 S876 K877 S882 H883	I831-I879 HydrophobicContact CG2-CD1 4.37Å; K838-I879 HydrophobicContact CG-CG2 4.05Å; I875-I879 HydrophobicContact CD1-CB 4.1Å; I875-I879 HydrophobicContact CD1-CG2 3.83Å; I875-I879 HydrophobicContact CG1-CB 4.06Å; I875-I879 HydrophobicContact CG1-CD1 4.46Å; I875-I879 HydrophobicContact CG1-CG2 4.3Å; S876-I879 PolarHBondContact O-N 3.37Å; S876-I879 WeakPolarHBondContact OG-CD1 3.04Å; S876-I879 WeakPolarHBondContact OG-CG1 3.34Å; K877-I879 VanDerWaalsContact C-N 3.32Å; K877-I879 PolarHBondContact O-N 3.07Å; I879-S882 PolarHBondContact O-N 3.42Å; I879-H883 WeakPolarHBondContact O-CB 3.46Å; I879-H883 PolarHBondContact O-N 3.33Å
880	V	83.5	Confident	82.1	Confident	37 Å²	37	62 Å²	62	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-47.6	175.9	-178.2	0	0	0	0	110.5	W829 I875 S876 K877 S882 H883 I884	W829-V880 HydrophobicContact CH2-CB 4.39Å; W829-V880 HydrophobicContact CH2-CG1 4.11Å; W829-V880 HydrophobicContact CH2-CG2 4.23Å; W829-V880 HydrophobicContact CZ2-CG1 4.37Å; W829-V880 HydrophobicContact CZ2-CG2 4.36Å; W829-V880 HydrophobicContact CZ3-CG2 4.48Å; I875-V880 HydrophobicContact CB-CG2 4.5Å; I875-V880 HydrophobicContact CD1-CG2 3.87Å; I875-V880 HydrophobicContact CG1-CG2 4.03Å; I875-V880 HydrophobicContact CG2-CG2 3.68Å; S876-V880 PolarHBondContact O-N 3.16Å; K877-V880 PolarHBondContact O-N 3.18Å; K877-V880 VanDerWaalsContact O-N 3.15Å; V880-S882 PolarHBondContact O-N 3.44Å; V880-H883 PolarHBondContact O-N 3.45Å; V880-I884 HydrophobicContact CG1-CD1 3.85Å; V880-I884 WeakPolarHBondContact O-CB 3.34Å; V880-I884 VanDerWaalsContact O-CG1 3.28Å; V880-I884 WeakPolarHBondContact O-CG1 3.49Å; V880-I884 PolarHBondContact O-N 3.13Å
881	E	84.4	Confident	82.3	Confident	125 Å²	125	64.1 Å²	64.1	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-57.7	-47.2	173.4	-72.8	163.9	-163.7	0	0	111.5	K877 H883 I884 E885	K877-E881 WeakPolarHBondContact O-CB 3.47Å; K877-E881 VanDerWaalsContact O-CG 3.31Å; K877-E881 WeakPolarHBondContact O-CG 3.38Å; K877-E881 PolarHBondContact O-N 2.93Å; E881-H883 PolarHBondContact O-N 3.16Å; E881-I884 PolarHBondContact O-N 3.35Å; E881-E885 PolarHBondContact O-N 2.97Å
882	S	84.5	Confident	82.7	Confident	61 Å²	61	63 Å²	63	43%	0.427	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-39.3	177.5	-62.1	0	0	0	0	112.8	S878 I879 V880 A886	S878-S882 VanDerWaalsContact O-CB 3.27Å; S878-S882 WeakPolarHBondContact O-CB 3.46Å; S878-S882 PolarHBondContact O-N 3.39Å; S878-S882 PolarHBondContact O-OG 3.06Å; I879-S882 PolarHBondContact O-N 3.42Å; V880-S882 PolarHBondContact O-N 3.44Å; S882-A886 WeakPolarHBondContact O-CB 3.46Å; S882-A886 PolarHBondContact O-N 3.43Å
883	H	85.6	Confident	82.5	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.009	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-48.1	174.2	174.6	113.8	0	0	0	110.8	W829 P836 K838 I879 V880 E881 A886 Y887	W829-H883 HydrophobicContact CH2-CB 4.05Å; W829-H883 AromaticContact CH2-CG 3.84Å; W829-H883 HydrophobicContact CZ3-CB 3.67Å; W829-H883 AromaticContact CZ3-CG 3.64Å; W829-H883 AromaticContact CZ3-ND1 3.68Å; P836-H883 WeakPolarHBondContact O-CA 3.02Å; K838-H883 PolarHBondContact N-ND1 3.12Å; K838-H883 PolarHBondContact O-CE1 3.24Å; K838-H883 VanDerWaalsContact O-CE1 3.29Å; K838-H883 PolarHBondContact O-ND1 2.89Å; I879-H883 WeakPolarHBondContact O-CB 3.46Å; I879-H883 PolarHBondContact O-N 3.33Å; V880-H883 PolarHBondContact O-N 3.45Å; E881-H883 PolarHBondContact O-N 3.16Å; H883-A886 PolarHBondContact O-N 2.88Å; H883-Y887 VanDerWaalsContact O-CB 3.28Å; H883-Y887 WeakPolarHBondContact O-CB 3.48Å; H883-Y887 PolarHBondContact O-N 3.4Å
884	I	84.8	Confident	81.8	Confident	67 Å²	67	77.5 Å²	77.5	34%	0.344	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-46.8	-179.8	-70.7	167.9	0	0	0	110.4	I766 V880 E881 Y887 W888	I766-I884 HydrophobicContact CD1-CG1 4.22Å; I766-I884 HydrophobicContact CD1-CG2 4.21Å; V880-I884 HydrophobicContact CG1-CD1 3.85Å; V880-I884 WeakPolarHBondContact O-CB 3.34Å; V880-I884 VanDerWaalsContact O-CG1 3.28Å; V880-I884 WeakPolarHBondContact O-CG1 3.49Å; V880-I884 PolarHBondContact O-N 3.13Å; E881-I884 PolarHBondContact O-N 3.35Å; I884-Y887 PolarHBondContact O-N 3.32Å; I884-W888 PolarHBondContact O-N 3.45Å
885	E	86	Confident	80.6	Confident	122 Å²	122	78.7 Å²	78.7	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-64.4	-44.6	178.8	-153.8	-144.4	139	0	0	111.4	E881 Y887 W888 N889	E881-E885 PolarHBondContact O-N 2.97Å; E885-Y887 PolarHBondContact O-N 3.38Å; E885-W888 PolarHBondContact O-N 2.74Å; E885-N889 VanDerWaalsContact O-CB 3.27Å; E885-N889 WeakPolarHBondContact O-CB 3.32Å; E885-N889 PolarHBondContact O-N 3.3Å; E885-N889 PolarHBondContact O-ND2 3.28Å; E885-N889 PolarHBondContact OE1-ND2 3.17Å
886	A	84.8	Confident	79.2	Confident	19 Å²	19	80 Å²	80	16%	0.157	41%	0.407	C	S	.	.	H	α-helix	trans	-64.8	-37.4	177.3	0	0	0	0	0	112.8	P836 I837 S882 H883 N889 S890	P836-A886 HydrophobicContact CB-CB 3.69Å; P836-A886 HydrophobicContact CG-CB 3.67Å; I837-A886 HydrophobicContact CD1-CB 4.46Å; I837-A886 HydrophobicContact CG1-CB 3.74Å; S882-A886 WeakPolarHBondContact O-CB 3.46Å; S882-A886 PolarHBondContact O-N 3.43Å; H883-A886 PolarHBondContact O-N 2.88Å; A886-N889 PolarHBondContact O-N 2.68Å; A886-S890 VanDerWaalsContact O-CB 3.28Å; A886-S890 WeakPolarHBondContact O-CB 3.26Å; A886-S890 PolarHBondContact O-N 2.99Å
887	Y	85.7	Confident	77.9	Confident	37 Å²	37	84 Å²	84	15%	0.145	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-49.9	173.1	176.5	-94.9	0	0	0	111.1	N765 I766 H883 I884 E885 N889 S890 K891	N765-Y887 HydrophobicContact CB-CE2 4.15Å; N765-Y887 WeakPolarHBondContact OD1-CE2 3.38Å; I766-Y887 HydrophobicContact CD1-CD1 3.44Å; I766-Y887 VanDerWaalsContact CD1-CD1 3.44Å; I766-Y887 HydrophobicContact CD1-CE1 3.94Å; I766-Y887 HydrophobicContact CD1-CG 4.17Å; I766-Y887 HydrophobicContact CG1-CD1 3.74Å; I766-Y887 HydrophobicContact CG1-CE1 4.07Å; I766-Y887 HydrophobicContact CG1-CG 4.14Å; H883-Y887 VanDerWaalsContact O-CB 3.28Å; H883-Y887 WeakPolarHBondContact O-CB 3.48Å; H883-Y887 PolarHBondContact O-N 3.4Å; I884-Y887 PolarHBondContact O-N 3.32Å; E885-Y887 PolarHBondContact O-N 3.38Å; Y887-N889 PolarHBondContact O-N 2.95Å; Y887-S890 WeakPolarHBondContact O-CB 3.47Å; Y887-S890 PolarHBondContact O-N 2.7Å; Y887-K891 HydrophobicContact CE1-CD 4.08Å; Y887-K891 WeakPolarHBondContact O-CB 3.46Å; Y887-K891 PolarHBondContact O-N 2.65Å
888	W	82.5	Confident	76.1	Confident	121 Å²	121	85.4 Å²	85.4	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-65	-38	177.3	-75.4	116.9	0	0	0	112.6	I766 I884 E885 K891 K892	I766-W888 HydrophobicContact CD1-CZ2 4.49Å; I884-W888 PolarHBondContact O-N 3.45Å; E885-W888 PolarHBondContact O-N 2.74Å; W888-K891 HydrophobicContact CE3-CD 4.13Å; W888-K891 HydrophobicContact CZ3-CD 3.94Å; W888-K891 PolarHBondContact O-N 2.75Å; W888-K892 WeakPolarHBondContact O-CB 3.48Å; W888-K892 VanDerWaalsContact O-CG 3.24Å; W888-K892 WeakPolarHBondContact O-CG 3.46Å; W888-K892 PolarHBondContact O-N 3.13Å
889	N	84.9	Confident	74.3	Confident	50 Å²	50	90.9 Å²	90.9	27%	0.267	45%	0.451	S	S	.	.	H	α-helix	trans	-69.6	-33.5	176.4	-71.4	-21.6	0	0	0	112.2	E885 A886 Y887 K892 R893	E885-N889 VanDerWaalsContact O-CB 3.27Å; E885-N889 WeakPolarHBondContact O-CB 3.32Å; E885-N889 PolarHBondContact O-N 3.3Å; E885-N889 PolarHBondContact O-ND2 3.28Å; E885-N889 PolarHBondContact OE1-ND2 3.17Å; A886-N889 PolarHBondContact O-N 2.68Å; Y887-N889 PolarHBondContact O-N 2.95Å; N889-K892 PolarHBondContact OD1-NZ 3.15Å; N889-K892 VanDerWaalsContact OD1-NZ 3.16Å; N889-R893 WeakPolarHBondContact O-CG 3.44Å; N889-R893 PolarHBondContact O-N 2.72Å; N889-R893 VanDerWaalsContact O-N 3.11Å
890	S	79.1	Confident	72.3	Confident	42 Å²	42	96.3 Å²	96.3	29%	0.294	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-51.1	168.2	-174.8	0	0	0	0	110.8	A886 Y887 K892 R893 F894	A886-S890 VanDerWaalsContact O-CB 3.28Å; A886-S890 WeakPolarHBondContact O-CB 3.26Å; A886-S890 PolarHBondContact O-N 2.99Å; Y887-S890 WeakPolarHBondContact O-CB 3.47Å; Y887-S890 PolarHBondContact O-N 2.7Å; S890-K892 VanDerWaalsContact C-N 3.33Å; S890-K892 PolarHBondContact O-N 2.91Å; S890-R893 WeakPolarHBondContact O-CB 3.33Å; S890-R893 PolarHBondContact O-N 2.82Å; S890-F894 VanDerWaalsContact O-CD2 3.24Å; S890-F894 WeakPolarHBondContact O-CD2 3.13Å; S890-F894 PolarHBondContact O-N 3.01Å; S890-F894 VanDerWaalsContact O-N 3.12Å
891	K	79.1	Confident	70.4	Confident	99 Å²	99	99.7 Å²	99.7	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-39.3	178.8	-161.4	165.9	-176	171.7	0	112.5	Y887 W888 F894 S895	Y887-K891 HydrophobicContact CE1-CD 4.08Å; Y887-K891 WeakPolarHBondContact O-CB 3.46Å; Y887-K891 PolarHBondContact O-N 2.65Å; W888-K891 HydrophobicContact CE3-CD 4.13Å; W888-K891 HydrophobicContact CZ3-CD 3.94Å; W888-K891 PolarHBondContact O-N 2.75Å; K891-F894 PolarHBondContact O-N 3.42Å; K891-S895 PolarHBondContact O-N 2.96Å; K891-S895 PolarHBondContact O-OG 2.69Å
892	K	78.4	Confident	68.5	Low	127 Å²	127	99.9 Å²	99.9	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-61.3	-41.1	172.3	-74.8	170.3	-167.3	164.7	0	112.7	W888 N889 S890 F894 S895 G896	W888-K892 WeakPolarHBondContact O-CB 3.48Å; W888-K892 VanDerWaalsContact O-CG 3.24Å; W888-K892 WeakPolarHBondContact O-CG 3.46Å; W888-K892 PolarHBondContact O-N 3.13Å; N889-K892 PolarHBondContact OD1-NZ 3.15Å; N889-K892 VanDerWaalsContact OD1-NZ 3.16Å; S890-K892 VanDerWaalsContact C-N 3.33Å; S890-K892 PolarHBondContact O-N 2.91Å; K892-F894 VanDerWaalsContact C-N 3.33Å; K892-F894 PolarHBondContact O-N 2.69Å; K892-S895 WeakPolarHBondContact CA-OG 3.49Å; K892-S895 PolarHBondContact O-N 3.26Å; K892-S895 PolarHBondContact O-OG 2.6Å; K892-G896 PolarHBondContact O-N 2.7Å
893	R	69.6	Low	66.3	Low	200 Å²	200	102.7 Å²	102.7	76%	0.755	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-38.2	175.8	-72.8	173	-174.7	-174.6	3.5	111.7	N889 S890 G896	N889-R893 WeakPolarHBondContact O-CG 3.44Å; N889-R893 PolarHBondContact O-N 2.72Å; N889-R893 VanDerWaalsContact O-N 3.11Å; S890-R893 WeakPolarHBondContact O-CB 3.33Å; S890-R893 PolarHBondContact O-N 2.82Å; R893-G896 PolarHBondContact O-N 2.82Å
894	F	63.2	Low	64.5	Low	149 Å²	149	108.1 Å²	108.1	65%	0.654	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-42.6	174.2	-74.6	-70.2	0	0	0	112.8	S890 K891 K892 G896 I897	S890-F894 VanDerWaalsContact O-CD2 3.24Å; S890-F894 WeakPolarHBondContact O-CD2 3.13Å; S890-F894 PolarHBondContact O-N 3.01Å; S890-F894 VanDerWaalsContact O-N 3.12Å; K891-F894 PolarHBondContact O-N 3.42Å; K892-F894 VanDerWaalsContact C-N 3.33Å; K892-F894 PolarHBondContact O-N 2.69Å; F894-G896 VanDerWaalsContact C-N 3.3Å; F894-G896 PolarHBondContact O-N 2.91Å; F894-I897 PolarHBondContact O-N 3.16Å
895	S	59.5	Low	62.5	Low	78 Å²	78	110.9 Å²	110.9	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-32.7	174.4	53.6	0	0	0	0	113	K891 K892 I897 M898	K891-S895 PolarHBondContact O-N 2.96Å; K891-S895 PolarHBondContact O-OG 2.69Å; K892-S895 WeakPolarHBondContact CA-OG 3.49Å; K892-S895 PolarHBondContact O-N 3.26Å; K892-S895 PolarHBondContact O-OG 2.6Å; S895-I897 PolarHBondContact O-N 3.21Å; S895-M898 PolarHBondContact O-N 2.88Å
896	G	53.6	Low	60.2	Low	46 Å²	46	113.6 Å²	113.6	47%	0.474	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-12.4	178.4	0	0	0	0	0	115.1	K892 R893 F894 M898	K892-G896 PolarHBondContact O-N 2.7Å; R893-G896 PolarHBondContact O-N 2.82Å; F894-G896 VanDerWaalsContact C-N 3.3Å; F894-G896 PolarHBondContact O-N 2.91Å; G896-M898 VanDerWaalsContact C-N 3.3Å
897	I	56	Low	58.3	Low	140 Å²	140	116.2 Å²	116.2	72%	0.718	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-16.5	172.7	-64	170.2	0	0	0	111.1	F894 S895 E899	F894-I897 PolarHBondContact O-N 3.16Å; S895-I897 PolarHBondContact O-N 3.21Å; I897-E899 VanDerWaalsContact C-N 3.33Å; I897-E899 PolarHBondContact O-N 3.02Å
898	M	46.3	Very low	56.5	Low	158 Å²	158	120.9 Å²	120.9	78%	0.778	65%	0.652	S	S	*	*			trans	-89.7	66.2	165	-70.8	-171.7	168	0	0	110.7	S895 G896 L900	S895-M898 PolarHBondContact O-N 2.88Å; G896-M898 VanDerWaalsContact C-N 3.3Å; M898-L900 PolarHBondContact O-N 3.34Å
899	E	46.1	Very low	54.7	Low	181 Å²	181	121 Å²	121	85%	0.846	66%	0.661	S	S	*	*			trans	-65.9	85.8	165	-73.3	-165.2	147.4	0	0	110	I897 S901	I897-E899 VanDerWaalsContact C-N 3.33Å; I897-E899 PolarHBondContact O-N 3.02Å; E899-S901 PolarHBondContact O-N 3.44Å
900	L	41.1	Very low	52.8	Low	161 Å²	161	126.6 Å²	126.6	84%	0.843	69%	0.686	S	S	*	*			trans	-61.1	132.2	166.5	-68	172.2	0	0	0	108.9	M898	M898-L900 PolarHBondContact O-N 3.34Å
901	S	43.1	Very low	51.3	Low	108 Å²	108	132.8 Å²	132.8	76%	0.755	71%	0.712	S	S	*	*			trans	-60.6	141.7	-171.8	-54.2	0	0	0	0	112.1	E899 C903	E899-S901 PolarHBondContact O-N 3.44Å; S901-C903 PolarHBondContact O-N 3.22Å; S901-C903 VanDerWaalsContact O-N 3.07Å
902	P	45.2	Very low	49.6	Very low	130 Å²	130	136.2 Å²	136.2	84%	0.844	72%	0.724	S	S	*	*			trans	-66.9	111.6	-170.3	-20	32.4	0	0	0	112.6
903	C	38.8	Very low	48.2	Very low	119 Å²	119	137.7 Å²	137.7	80%	0.804	73%	0.731	S	S	*	*			trans	-71.5	141.6	162.3	-76.9	0	0	0	0	109.7	S901	S901-C903 PolarHBondContact O-N 3.22Å; S901-C903 VanDerWaalsContact O-N 3.07Å
904	P	46.3	Very low	47.1	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	73%	0.728	S	S	*	*			trans	-68.3	148.1	-176	28.6	-35	0	0	0	111.8	E906	P904-E906 PolarHBondContact O-N 3.05Å; P904-E906 VanDerWaalsContact O-N 3.16Å
905	S	43.2	Very low	46.3	Very low	125 Å²	125	130.4 Å²	130.4	87%	0.874	72%	0.722	S	S	*	*			trans	-77.4	96.4	-175.6	56.4	0	0	0	0	112.4
906	E	38.3	Very low	45.7	Very low	180 Å²	180	131.8 Å²	131.8	84%	0.841	72%	0.723	S	S	*	*			trans	-85.3	139.2	161.5	-68	-172	164.5	0	0	110.3	P904 I908	P904-E906 PolarHBondContact O-N 3.05Å; P904-E906 VanDerWaalsContact O-N 3.16Å; E906-I908 PolarHBondContact O-N 2.99Å
907	S	45.3	Very low	45.4	Very low	73 Å²	73	136.3 Å²	136.3	51%	0.51	73%	0.732	S	S	.	*			trans	-56.6	111.6	-161.5	-179.5	0	0	0	0	115.1	N909 E910	S907-N909 PolarHBondContact O-N 3.46Å; S907-N909 VanDerWaalsContact O-N 3.08Å; S907-N909 PolarHBondContact OG-N 3.37Å; S907-E910 PolarHBondContact O-N 3.3Å
908	I	46.8	Very low	44.8	Very low	135 Å²	135	135.2 Å²	135.2	69%	0.692	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-58	-22.1	172	-69.3	172.9	0	0	0	112.5	E906 E910 M911	E906-I908 PolarHBondContact O-N 2.99Å; I908-E910 PolarHBondContact O-N 3.2Å; I908-M911 PolarHBondContact O-N 2.83Å
909	N	44	Very low	44.8	Very low	123 Å²	123	134.3 Å²	134.3	66%	0.658	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-65.3	-20.8	-177.6	-70.5	3.4	0	0	0	114.3	S907	S907-N909 PolarHBondContact O-N 3.46Å; S907-N909 VanDerWaalsContact O-N 3.08Å; S907-N909 PolarHBondContact OG-N 3.37Å
910	E	45.2	Very low	44.7	Very low	168 Å²	168	132.9 Å²	132.9	79%	0.785	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-78.4	-20.8	-178.9	-64	-168.6	170.2	0	0	112.8	S907 I908 Y912	S907-E910 PolarHBondContact O-N 3.3Å; I908-E910 PolarHBondContact O-N 3.2Å; E910-Y912 PolarHBondContact O-N 2.86Å
911	M	48.5	Very low	44.8	Very low	172 Å²	172	132.5 Å²	132.5	85%	0.847	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-88.3	1.2	-170.3	-154.5	171.1	-178.2	0	0	114.9	I908	I908-M911 PolarHBondContact O-N 2.83Å
912	Y	44.2	Very low	44.5	Very low	172 Å²	172	132.9 Å²	132.9	68%	0.675	70%	0.703	S	S	*	*	S	Bend	trans	-126.3	-0.9	-170.7	-88.5	-78.9	0	0	0	116.4	E910	E910-Y912 PolarHBondContact O-N 2.86Å
913	F	48.7	Very low	43.8	Very low	157 Å²	157	132.3 Å²	132.3	69%	0.689	69%	0.694	S	S	*	*	S	Bend	trans	-74.1	-38.7	-177.6	-101.2	-86.5	0	0	0	114	A915 I916	F913-A915 PolarHBondContact O-N 2.88Å; F913-I916 PolarHBondContact O-N 3.24Å; F913-I916 VanDerWaalsContact O-N 3.09Å
914	D	45.4	Very low	43.6	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	69%	0.69	S	S	*	*	H	α-helix	trans	-61.9	-19.7	-174.8	-64.6	-3	0	0	0	114.1	N918	D914-N918 PolarHBondContact O-ND2 3.05Å
915	A	47.7	Very low	42.8	Very low	65 Å²	65	135.4 Å²	135.4	54%	0.537	70%	0.695	S	S	.	*	H	α-helix	trans	-72.6	-24.5	178	0	0	0	0	0	113.6	F913	F913-A915 PolarHBondContact O-N 2.88Å
916	I	46.3	Very low	42.2	Very low	108 Å²	108	136.7 Å²	136.7	55%	0.554	69%	0.691	S	S	*	*	H	α-helix	trans	-94.1	-39.6	-171.1	-63.5	179.1	0	0	0	112.2	F913 I919	F913-I916 PolarHBondContact O-N 3.24Å; F913-I916 VanDerWaalsContact O-N 3.09Å; I916-I919 PolarHBondContact O-N 3.41Å
917	E	47.4	Very low	41.7	Very low	141 Å²	141	135.6 Å²	135.6	66%	0.659	69%	0.69	S	S	*	*	H	α-helix	trans	-67.8	-36.6	-179.2	-94.1	-166.6	146.4	0	0	113.1	I919 Q920	E917-I919 PolarHBondContact O-N 3.28Å; E917-Q920 PolarHBondContact O-N 2.65Å
918	N	43.7	Very low	40.9	Very low	117 Å²	117	140.7 Å²	140.7	63%	0.626	71%	0.705	S	S	*	*	H	α-helix	trans	-61.5	-25.9	-179.3	-80.9	-63.8	0	0	0	113.7	D914 Q920	D914-N918 PolarHBondContact O-ND2 3.05Å; N918-Q920 VanDerWaalsContact C-N 3.34Å
919	I	45.5	Very low	39.9	Very low	139 Å²	139	139.7 Å²	139.7	71%	0.713	71%	0.706	S	S	*	*	H	α-helix	trans	-73.9	-25.4	178.2	-62.7	175.8	0	0	0	111.6	I916 E917	I916-I919 PolarHBondContact O-N 3.41Å; E917-I919 PolarHBondContact O-N 3.28Å
920	Q	43.9	Very low	39.1	Very low	150 Å²	150	139.9 Å²	139.9	70%	0.701	71%	0.711	S	S	*	*	H	α-helix	trans	-88.3	-19.3	-171.9	-62.6	-165.8	5.3	0	0	114.8	E917 N918	E917-Q920 PolarHBondContact O-N 2.65Å; N918-Q920 VanDerWaalsContact C-N 3.34Å
921	Q	43.5	Very low	38.3	Very low	153 Å²	153	140.5 Å²	140.5	72%	0.715	71%	0.714	S	S	*	*	S	Bend	trans	-86	-14	-172.1	-64.4	-163.6	10.4	0	0	115.4
922	I	35.8	Very low	37.1	Very low	116 Å²	116	140.9 Å²	140.9	60%	0.595	72%	0.719	S	S	*	*	S	Bend	trans	-109.7	49.1	-173	-38	-177.4	0	0	0	112.5	K1705	I922-K1705 HydrophobicContact CG2-CD 4.14Å; I922-K1705 WeakPolarHBondContact O-CE 3.44Å; I922-K1705 PolarHBondContact O-NZ 3.46Å
923	N	31.5	Very low	36.2	Very low	119 Å²	119	137.3 Å²	137.3	64%	0.636	72%	0.719	S	S	*	*			trans	-153.1	31.2	176.4	-147.8	23.6	0	0	0	118.5	K1705	N923-K1705 PolarHBondContact OD1-NZ 2.74Å
924	T	34	Very low	35.2	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	72%	0.723	S	S	*	*	S	Bend	trans	-139.1	47.5	-179.4	47.8	0	0	0	0	115.5
925	Q	30.7	Very low	34.2	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	73%	0.728	S	S	*	*	S	Bend	trans	-155.7	157.8	158.3	-115.7	134.5	105.6	0	0	112.5
926	N	30	Very low	33.2	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	74%	0.736	S	S	*	*			trans	65.9	40.8	173.8	-61.2	-7.1	0	0	0	118.4
927	I	27	Very low	32.3	Very low	157 Å²	157	146.4 Å²	146.4	81%	0.805	75%	0.75	S	S	*	*			trans	-89.5	96.9	146.3	-59.2	177.7	0	0	0	107.7
928	H	29.3	Very low	31.1	Very low	181 Å²	181	145.8 Å²	145.8	84%	0.838	76%	0.76	S	S	*	*			trans	-120.6	100.8	165.4	-106.9	-68.5	0	0	0	109.5
929	T	26.2	Very low	30.2	Very low	114 Å²	114	149 Å²	149	70%	0.699	77%	0.771	S	S	*	*			trans	-66.6	138.3	174.8	38.8	0	0	0	0	111.6
930	T	26.4	Very low	29.3	Very low	127 Å²	127	148 Å²	148	78%	0.779	77%	0.772	S	S	*	*				176.6	164.3	116.6	30.8	0	0	0	0	112.4
931	Q	28.4	Very low	28.6	Very low	180 Å²	180	148.5 Å²	148.5	84%	0.841	78%	0.777	S	S	*	*			trans	78.6	48.3	165.4	-44.4	-155.7	13.6	0	0	118.5
932	L	22.7	Very low	27.7	Very low	181 Å²	181	150.6 Å²	150.6	95%	0.948	78%	0.784	S	S	*	*			trans	-86.8	99.2	142.3	-120.5	86.1	0	0	0	109
933	S	26	Very low	27.4	Very low	97 Å²	97	151.1 Å²	151.1	68%	0.678	79%	0.793	S	S	*	*			trans	-172.6	87.9	163	58	0	0	0	0	112.8
934	H	27.6	Very low	27.1	Very low	168 Å²	168	149.9 Å²	149.9	78%	0.778	79%	0.794	S	S	*	*			trans	-174.8	82	146.7	-99.3	-61.1	0	0	0	109.4	D936	H934-D936 IonicContact CE1-OD2 2.61Å; H934-D936 IonicContact ND1-OD2 3.23Å; H934-D936 PolarHBondContact ND1-OD2 3.13Å
935	I	24.5	Very low	26.7	Very low	157 Å²	157	153.1 Å²	153.1	81%	0.805	80%	0.798	S	S	*	*			trans	-123.7	75.5	163	-60.3	172.8	0	0	0	105.9	K937	I935-K937 PolarHBondContact O-N 2.81Å
936	D	27.1	Very low	26.4	Very low	131 Å²	131	149.7 Å²	149.7	70%	0.701	79%	0.785	S	S	*	*			trans	-75.8	101.1	173	-75.4	-68.8	0	0	0	108.9	H934 C938	H934-D936 IonicContact CE1-OD2 2.61Å; H934-D936 IonicContact ND1-OD2 3.23Å; H934-D936 PolarHBondContact ND1-OD2 3.13Å; D936-C938 PolarHBondContact O-N 2.76Å
937	K	26.7	Very low	26.3	Very low	195 Å²	195	147.5 Å²	147.5	85%	0.848	77%	0.77	S	S	*	*			trans	-69.6	116.3	164.6	-66.2	-179.6	179.8	-178.9	0	108.5	I935	I935-K937 PolarHBondContact O-N 2.81Å
938	C	22.9	Very low	26.6	Very low	128 Å²	128	145.6 Å²	145.6	87%	0.865	76%	0.756	S	S	*	*			trans	-141.2	137.5	161.1	-101.1	0	0	0	0	110	D936	D936-C938 PolarHBondContact O-N 2.76Å
939	E	25.4	Very low	26.8	Very low	184 Å²	184	139.7 Å²	139.7	86%	0.86	74%	0.735	S	S	*	*			trans	-92.3	-165.7	-173.9	-53.7	167.5	93.4	0	0	112
940	V	25.2	Very low	27.1	Very low	120 Å²	120	136.7 Å²	136.7	73%	0.727	72%	0.717	S	S	*	*			trans	82	107.7	160.8	-169.3	0	0	0	0	116.4
941	I	30.2	Very low	27.2	Very low	160 Å²	160	134.4 Å²	134.4	82%	0.821	71%	0.706	S	S	*	*				-142.4	128.8	109.3	-93.5	145.6	0	0	0	108.5
942	K	24.5	Very low	27.3	Very low	196 Å²	196	130.8 Å²	130.8	85%	0.852	70%	0.7	S	S	*	*			trans	-105.1	136.5	170.2	-66.9	-177.9	178.3	-177	0	109.1
943	T	28.3	Very low	27.6	Very low	128 Å²	128	128 Å²	128	79%	0.785	70%	0.696	S	S	*	*			trans	178.6	151.5	158.9	20.3	0	0	0	0	108.1
944	S	25.1	Very low	27.6	Very low	93 Å²	93	127.8 Å²	127.8	65%	0.65	69%	0.694	S	S	*	*			cis	-167.6	178	-26.9	56	0	0	0	0	109.2
945	F	26.6	Very low	27.5	Very low	187 Å²	187	130.1 Å²	130.1	82%	0.82	70%	0.698	S	S	*	*			trans	67.7	117.3	-179.8	-78.5	-98.3	0	0	0	115.8
946	N	24.6	Very low	27.8	Very low	108 Å²	108	133.7 Å²	133.7	58%	0.578	70%	0.703	S	S	*	*			cis	80.4	119.3	9	-105.4	6.6	0	0	0	116.6	K1775	N946-K1775 WeakPolarHBondContact OD1-CE 3.16Å
947	Q	27.9	Very low	27.9	Very low	106 Å²	106	133.6 Å²	133.6	50%	0.495	71%	0.708	S	S	.	*			trans	151.4	80.8	173	44.8	-174.5	-48.4	0	0	122.5	K1775	Q947-K1775 HydrophobicContact CB-CB 3.98Å; Q947-K1775 HydrophobicContact CB-CD 3.7Å; Q947-K1775 HydrophobicContact CB-CG 4.29Å; Q947-K1775 HydrophobicContact CG-CB 4.44Å; Q947-K1775 HydrophobicContact CG-CD 3.93Å; Q947-K1775 HydrophobicContact CG-CG 4.45Å
948	K	33.4	Very low	28	Very low	116 Å²	116	128.4 Å²	128.4	50%	0.504	70%	0.701	S	S	.	*			trans	78.9	149.6	147.6	-61.4	145	-176.3	169.9	0	120.7	E1772	K948-E1772 VanDerWaalsContact C-CG 3.46Å; K948-E1772 VanDerWaalsContact O-CD 3.24Å; K948-E1772 VanDerWaalsContact O-CG 3.3Å; K948-E1772 WeakPolarHBondContact O-CG 3.29Å; K948-E1772 VanDerWaalsContact O-OE2 3.13Å
949	S	32.1	Very low	28.3	Very low	58 Å²	58	131.2 Å²	131.2	41%	0.406	70%	0.701	S	S	.	*			cis	-168.6	133.9	-13.8	-93.1	0	0	0	0	115.1	E1772 A1776	S949-E1772 WeakPolarHBondContact CA-O 3.42Å; S949-E1772 PolarHBondContact N-OE2 2.98Å; S949-A1776 VanDerWaalsContact OG-CA 3.25Å; S949-A1776 WeakPolarHBondContact OG-CA 3.35Å; S949-A1776 VanDerWaalsContact OG-CB 3.29Å; S949-A1776 WeakPolarHBondContact OG-CB 3.22Å; S949-A1776 PolarHBondContact OG-N 3.34Å; S949-A1776 VanDerWaalsContact OG-N 3.16Å
950	T	32.8	Very low	28.6	Very low	50 Å²	50	131 Å²	131	31%	0.307	70%	0.701	S	S	.	*			trans	-114.4	176.5	169.8	38.6	0	0	0	0	113.1	E1773 A1776	T950-E1773 VanDerWaalsContact CB-OE2 3.24Å; T950-E1773 WeakPolarHBondContact CB-OE2 3.41Å; T950-E1773 WeakPolarHBondContact OG1-CA 3.39Å; T950-E1773 WeakPolarHBondContact OG1-CB 3.45Å; T950-E1773 WeakPolarHBondContact OG1-CG 3.31Å; T950-E1773 PolarHBondContact OG1-N 2.95Å; T950-E1773 PolarHBondContact OG1-OE2 2.84Å; T950-A1776 WeakPolarHBondContact O-CB 3.31Å
951	S	29.9	Very low	28.9	Very low	79 Å²	79	131.2 Å²	131.2	55%	0.552	70%	0.704	S	S	*	*			trans	-162.4	103.2	167.7	-76.9	0	0	0	0	112.8	E1773	S951-E1773 WeakPolarHBondContact CA-OE1 3.11Å; S951-E1773 PolarHBondContact N-OE1 3.3Å
952	S	30.5	Very low	28.9	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	70%	0.701	S	S	*	*			trans	-76.8	156.3	166.3	-179.4	0	0	0	0	113.6	E1773	S952-E1773 PolarHBondContact N-OE1 3.17Å
953	S	27.1	Very low	29.2	Very low	124 Å²	124	128.8 Å²	128.8	87%	0.867	70%	0.701	S	S	*	*			trans	-161.7	153.3	147.5	-147.9	0	0	0	0	112.8
954	S	27.1	Very low	29.4	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	70%	0.699	S	S	*	*			trans	-110.2	152.4	-163.2	56.1	0	0	0	0	115.2
955	Y	25	Very low	29.6	Very low	217 Å²	217	133.6 Å²	133.6	85%	0.851	71%	0.709	S	S	*	*			trans	19.4	122.8	146.2	-80.2	-92.2	0	0	0	119.5
956	Y	30.7	Very low	29.8	Very low	232 Å²	232	132.9 Å²	132.9	91%	0.91	71%	0.708	S	S	*	*			trans	-132.3	148.3	144.3	-101.9	-88.1	0	0	0	109.9
957	T	30.4	Very low	30	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	72%	0.718	S	S	*	*			trans	-80.2	147.5	-172.4	44.3	0	0	0	0	113.3
958	A	28.8	Very low	30.3	Very low	86 Å²	86	138.6 Å²	138.6	71%	0.711	73%	0.734	S	S	*	*			trans	-76.3	134.9	178.2	0	0	0	0	0	112.9
959	E	27.7	Very low	30	Very low	186 Å²	186	142 Å²	142	87%	0.869	75%	0.751	S	S	*	*			trans	-129.4	99.5	157	-70.8	-169.5	157.6	0	0	107	P961	E959-P961 WeakPolarHBondContact O-CD 3.49Å
960	E	31.7	Very low	29.9	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	77%	0.768	S	S	*	*			trans	-98.2	111.7	179.8	-68.7	-175.9	153.4	0	0	110.5
961	P	32	Very low	29.7	Very low	123 Å²	123	147.1 Å²	147.1	80%	0.799	79%	0.792	S	S	*	*			trans	-83.3	120.9	169.6	31.8	-30.7	0	0	0	110.5	E959	E959-P961 WeakPolarHBondContact O-CD 3.49Å
962	I	31	Very low	29.6	Very low	149 Å²	149	147.9 Å²	147.9	76%	0.764	80%	0.797	S	S	*	*			trans	-43.4	135.7	162.6	-61.3	150.3	0	0	0	110.6
963	D	30.4	Very low	29.6	Very low	157 Å²	157	149.4 Å²	149.4	84%	0.84	80%	0.802	S	S	*	*			trans	-146.2	148.2	138.1	-128.8	-21.3	0	0	0	113
964	E	31.6	Very low	29.7	Very low	159 Å²	159	151.9 Å²	151.9	74%	0.743	80%	0.797	S	S	*	*			trans	-85.5	153.3	-166.9	-56	175	150.3	0	0	111.9
965	N	30.8	Very low	29.7	Very low	162 Å²	162	155.5 Å²	155.5	87%	0.866	81%	0.809	S	S	*	*			trans	-156.6	133.7	144.5	-113.7	-83.2	0	0	0	112.3
966	E	30	Very low	29.9	Very low	173 Å²	173	153 Å²	153	81%	0.808	80%	0.803	S	S	*	*			trans	-82.5	146.3	-176.5	-55	171.4	114.8	0	0	112.3
967	K	29.5	Very low	29.9	Very low	180 Å²	180	150.9 Å²	150.9	78%	0.783	80%	0.801	S	S	*	*			trans	-167.6	110.3	139.3	-105.9	142.1	-163.7	151.3	0	115.1	Q969	K967-Q969 PolarHBondContact O-N 3.46Å
968	D	33.1	Very low	29.9	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	79%	0.791	S	S	*	*				50.5	59	126.8	-54.9	-27.1	0	0	0	118.9
969	Q	27.8	Very low	29.9	Very low	188 Å²	188	156 Å²	156	88%	0.879	80%	0.802	S	S	*	*			trans	-121.7	135.4	142.5	-69.2	-163.3	8.8	0	0	110.5	K967	K967-Q969 PolarHBondContact O-N 3.46Å
970	A	30.7	Very low	30	Very low	92 Å²	92	151.7 Å²	151.7	76%	0.76	79%	0.792	S	S	*	*			trans	-64.4	141.7	-171.8	0	0	0	0	0	111.5	S972	A970-S972 PolarHBondContact O-N 2.89Å
971	P	28.3	Very low	30.1	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	78%	0.78	S	S	*	*			trans	-70.6	92	-170.1	27.8	-35.6	0	0	0	112.3	T973	P971-T973 PolarHBondContact O-N 3.45Å; P971-T973 VanDerWaalsContact O-N 3.12Å
972	S	28.4	Very low	30.4	Very low	95 Å²	95	150.2 Å²	150.2	66%	0.664	79%	0.786	S	S	*	*			trans	-55.5	110.6	158.8	157.6	0	0	0	0	108.5	A970 K974	A970-S972 PolarHBondContact O-N 2.89Å; S972-K974 PolarHBondContact O-N 2.93Å
973	T	29.2	Very low	30.8	Very low	136 Å²	136	150 Å²	150	83%	0.834	79%	0.787	S	S	*	*			trans	-69.2	85.4	-171.6	50.1	0	0	0	0	112.8	P971	P971-T973 PolarHBondContact O-N 3.45Å; P971-T973 VanDerWaalsContact O-N 3.12Å
974	K	28.8	Very low	31	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.765	78%	0.78	S	S	*	*			trans	-120	50	170.6	-71.2	-169.2	173.7	-173.7	0	111.9	S972 F976	S972-K974 PolarHBondContact O-N 2.93Å; K974-F976 PolarHBondContact O-N 2.8Å
975	L	27.7	Very low	31	Very low	168 Å²	168	143 Å²	143	88%	0.88	77%	0.773	S	S	*	*			trans	-76.7	66.9	173.9	-82.1	170.2	0	0	0	111.7
976	F	28.7	Very low	31	Very low	165 Å²	165	142.7 Å²	142.7	72%	0.724	77%	0.767	S	S	*	*			trans	-143	36	171.8	-89.7	-73	0	0	0	112	K974	K974-F976 PolarHBondContact O-N 2.8Å
977	E	31.7	Very low	31	Very low	186 Å²	186	139 Å²	139	87%	0.869	76%	0.756	S	S	*	*			trans	-72.3	133.5	168.2	-71.6	-175.4	153.5	0	0	110.8
978	S	30.6	Very low	31.5	Very low	84 Å²	84	136 Å²	136	59%	0.587	76%	0.756	S	S	*	*			trans	-67.7	133.5	-168.8	51.2	0	0	0	0	113.2	S980	S978-S980 VanDerWaalsContact C-N 3.3Å; S978-S980 PolarHBondContact O-N 2.76Å
979	Y	27.6	Very low	31.4	Very low	239 Å²	239	135.7 Å²	135.7	94%	0.937	75%	0.747	S	S	*	*			trans	-69.5	84.3	164.4	-77.4	-73.4	0	0	0	111	T981	Y979-T981 PolarHBondContact O-N 3.49Å
980	S	30.7	Very low	31.8	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	73%	0.733	S	S	*	*			trans	-71.2	122.2	164.4	54	0	0	0	0	110.2	S978	S978-S980 VanDerWaalsContact C-N 3.3Å; S978-S980 PolarHBondContact O-N 2.76Å
981	T	33	Very low	32.3	Very low	96 Å²	96	134.2 Å²	134.2	59%	0.589	73%	0.733	S	S	*	*			trans	-77.6	148	161.1	35.7	0	0	0	0	110.1	Y979 D983 G984	Y979-T981 PolarHBondContact O-N 3.49Å; T981-D983 PolarHBondContact O-N 2.99Å; T981-G984 PolarHBondContact O-N 3.42Å; T981-G984 VanDerWaalsContact O-N 3.16Å
982	L	39.3	Very low	33.1	Very low	177 Å²	177	133.8 Å²	133.8	93%	0.927	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-20	-160.9	-145.5	78.3	0	0	0	115.4
983	D	39.7	Very low	33.4	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	21.6	-177.4	-48.3	-53.3	0	0	0	113.2	T981 V985	T981-D983 PolarHBondContact O-N 2.99Å; D983-V985 PolarHBondContact O-N 3.33Å
984	G	35	Very low	34.1	Very low	67 Å²	67	135.7 Å²	135.7	69%	0.691	71%	0.713	S	S	*	*	S	Bend	trans	74.2	-18.7	169.4	0	0	0	0	0	117.3	T981 Q986	T981-G984 PolarHBondContact O-N 3.42Å; T981-G984 VanDerWaalsContact O-N 3.16Å; G984-Q986 PolarHBondContact O-N 2.92Å
985	V	30.9	Very low	34.8	Very low	101 Å²	101	130.3 Å²	130.3	61%	0.612	70%	0.698	S	S	*	*			trans	-72.7	108.7	-178.7	-178.5	0	0	0	0	111.4	D983	D983-V985 PolarHBondContact O-N 3.33Å
986	Q	29.8	Very low	35.2	Very low	156 Å²	156	127.1 Å²	127.1	73%	0.729	68%	0.681	S	S	*	*			trans	-71.5	149	160.3	-70.4	-168.6	-3.1	0	0	110.2	G984	G984-Q986 PolarHBondContact O-N 2.92Å
987	T	31.7	Very low	36	Very low	96 Å²	96	122.2 Å²	122.2	59%	0.589	67%	0.671	S	S	*	*			trans	-113.4	143.8	178.4	53.9	0	0	0	0	110.7	F989	T987-F989 PolarHBondContact O-N 3.08Å
988	P	38.7	Very low	36.5	Very low	118 Å²	118	117.5 Å²	117.5	77%	0.766	65%	0.652	S	S	*	*	S	Bend	trans	-81.2	52.9	-162.3	34.3	-39.1	0	0	0	113.8
989	F	31.6	Very low	37.2	Very low	146 Å²	146	121.6 Å²	121.6	64%	0.64	66%	0.66	S	S	*	*			trans	-100.2	24.1	173.6	-71.9	-80.1	0	0	0	112.4	T987 E991	T987-F989 PolarHBondContact O-N 3.08Å; F989-E991 VanDerWaalsContact C-N 3.31Å
990	S	36	Very low	37.7	Very low	82 Å²	82	118.5 Å²	118.5	57%	0.573	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-20.5	178	40.3	0	0	0	0	113.9	D992 Q993	S990-D992 PolarHBondContact O-N 3.44Å; S990-Q993 WeakPolarHBondContact O-CB 3.42Å; S990-Q993 PolarHBondContact O-N 2.88Å
991	E	41.3	Very low	37.8	Very low	167 Å²	167	119.6 Å²	119.6	78%	0.78	65%	0.649	S	S	*	*	H	α-helix	trans	-60.4	-30.5	177.4	-161.5	175.5	-147.9	0	0	112.8	F989 Q993 S995	F989-E991 VanDerWaalsContact C-N 3.31Å; E991-Q993 PolarHBondContact O-N 2.72Å; E991-S995 PolarHBondContact O-OG 2.99Å; E991-S995 VanDerWaalsContact O-OG 3.09Å
992	D	43.9	Very low	38.2	Very low	114 Å²	114	117.8 Å²	117.8	61%	0.61	64%	0.641	S	S	*	*	H	α-helix	trans	-69.5	-14	173.2	-79.9	-12.6	0	0	0	113.1	S990 S995 L996	S990-D992 PolarHBondContact O-N 3.44Å; D992-S995 PolarHBondContact O-OG 2.8Å; D992-L996 WeakPolarHBondContact O-CB 3.36Å
993	Q	36.1	Very low	38.3	Very low	127 Å²	127	113.6 Å²	113.6	59%	0.593	62%	0.624	S	S	*	*	H	α-helix	trans	-86.1	-39.8	177.3	-63.5	-166.8	-2.5	0	0	112.6	S990 E991 L996 A997	S990-Q993 WeakPolarHBondContact O-CB 3.42Å; S990-Q993 PolarHBondContact O-N 2.88Å; E991-Q993 PolarHBondContact O-N 2.72Å; Q993-L996 PolarHBondContact O-N 2.96Å; Q993-A997 PolarHBondContact O-N 3.42Å
994	Q	43.9	Very low	38.5	Very low	144 Å²	144	113.4 Å²	113.4	67%	0.673	62%	0.619	S	S	*	*	H	α-helix	trans	-60.2	-49.2	177.8	-157.8	78.7	18.4	0	0	110.3	L996 A997 D998	Q994-L996 VanDerWaalsContact C-N 3.27Å; Q994-L996 PolarHBondContact O-N 3.46Å; Q994-A997 WeakPolarHBondContact O-CB 3.49Å; Q994-A997 PolarHBondContact O-N 3.32Å; Q994-A997 VanDerWaalsContact O-N 3.11Å; Q994-D998 PolarHBondContact O-N 3.46Å; Q994-D998 VanDerWaalsContact O-N 3.07Å
995	S	43.3	Very low	38.8	Very low	62 Å²	62	114.3 Å²	114.3	43%	0.434	61%	0.608	S	S	.	*	H	α-helix	trans	-66.2	-23.6	178.7	51.5	0	0	0	0	114	E991 D992	E991-S995 PolarHBondContact O-OG 2.99Å; E991-S995 VanDerWaalsContact O-OG 3.09Å; D992-S995 PolarHBondContact O-OG 2.8Å
996	L	35.4	Very low	39.1	Very low	101 Å²	101	113.1 Å²	113.1	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-81.1	-30.7	172.1	-158.3	76	0	0	0	112.6	D992 Q993 Q994 F999	D992-L996 WeakPolarHBondContact O-CB 3.36Å; Q993-L996 PolarHBondContact O-N 2.96Å; Q994-L996 VanDerWaalsContact C-N 3.27Å; Q994-L996 PolarHBondContact O-N 3.46Å; L996-F999 PolarHBondContact O-N 3.27Å
997	A	46	Very low	39.5	Very low	63 Å²	63	111.2 Å²	111.2	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-68	-42.4	173.3	0	0	0	0	0	111.4	Q993 Q994 F999 Q1000	Q993-A997 PolarHBondContact O-N 3.42Å; Q994-A997 WeakPolarHBondContact O-CB 3.49Å; Q994-A997 PolarHBondContact O-N 3.32Å; Q994-A997 VanDerWaalsContact O-N 3.11Å; A997-F999 PolarHBondContact O-N 2.8Å; A997-Q1000 PolarHBondContact O-N 3.5Å
998	D	41.6	Very low	40	Very low	87 Å²	87	112.6 Å²	112.6	47%	0.465	59%	0.588	S	S	.	*	H	α-helix	trans	-55.7	-38.9	173.5	-71.9	-35.4	0	0	0	111.9	Q994 Q1000 M1001 Q1006	Q994-D998 PolarHBondContact O-N 3.46Å; Q994-D998 VanDerWaalsContact O-N 3.07Å; D998-Q1000 PolarHBondContact O-N 2.77Å; D998-Q1000 VanDerWaalsContact O-N 3.14Å; D998-M1001 PolarHBondContact O-N 3.22Å; D998-M1001 VanDerWaalsContact O-N 3.16Å; D998-Q1006 PolarHBondContact O-NE2 3.01Å
999	F	44.8	Very low	39.6	Very low	170 Å²	170	111.6 Å²	111.6	75%	0.746	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-15.1	-176.2	-145.7	-85.3	0	0	0	114.5	L996 A997	L996-F999 PolarHBondContact O-N 3.27Å; A997-F999 PolarHBondContact O-N 2.8Å
1000	Q	40	Very low	39.8	Very low	173 Å²	173	108.2 Å²	108.2	81%	0.808	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-1.4	177.4	-64.1	-163.4	1.7	0	0	114.2	A997 D998	A997-Q1000 PolarHBondContact O-N 3.5Å; D998-Q1000 PolarHBondContact O-N 2.77Å; D998-Q1000 VanDerWaalsContact O-N 3.14Å
1001	M	30.9	Very low	39.8	Very low	119 Å²	119	109 Å²	109	59%	0.586	57%	0.565	S	S	*	*	S	Bend	trans	-103.7	133	177	-73.5	-67.2	171.2	0	0	112.1	D998 Q1006	D998-M1001 PolarHBondContact O-N 3.22Å; D998-M1001 VanDerWaalsContact O-N 3.16Å; M1001-Q1006 HydrophobicContact CB-CG 4.49Å
1002	S	41.6	Very low	39.5	Very low	59 Å²	59	105.1 Å²	105.1	41%	0.413	55%	0.545	S	S	.	.			trans	-53.7	140.3	178.7	178.1	0	0	0	0	112.1	E1004 N1005 Q1006	S1002-E1004 PolarHBondContact O-N 3.25Å; S1002-E1004 VanDerWaalsContact O-N 3.09Å; S1002-N1005 WeakPolarHBondContact O-CB 3.19Å; S1002-N1005 PolarHBondContact O-N 3.45Å; S1002-Q1006 PolarHBondContact O-N 3.05Å; S1002-Q1006 VanDerWaalsContact O-N 3.16Å
1003	P	41.8	Very low	39.1	Very low	88 Å²	88	106.5 Å²	106.5	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-53.4	-32.8	179.1	-28.4	35.5	0	0	0	114.2	N1005 Q1006 L1007	P1003-N1005 PolarHBondContact O-N 3.43Å; P1003-Q1006 PolarHBondContact O-N 3.27Å; P1003-L1007 PolarHBondContact O-N 2.92Å
1004	E	44.4	Very low	39.4	Very low	141 Å²	141	108 Å²	108	66%	0.659	56%	0.556	S	S	*	*	H	α-helix	trans	-67.4	-19.7	177.3	-61.5	-171.2	133.3	0	0	113.9	S1002 K1008	S1002-E1004 PolarHBondContact O-N 3.25Å; S1002-E1004 VanDerWaalsContact O-N 3.09Å; E1004-K1008 VanDerWaalsContact O-CD 3.25Å; E1004-K1008 WeakPolarHBondContact O-CD 3.43Å; E1004-K1008 WeakPolarHBondContact O-CE 3.23Å; E1004-K1008 WeakPolarHBondContact O-CG 3.37Å
1005	N	42	Very low	39.6	Very low	87 Å²	87	103.6 Å²	103.6	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-91.7	-40.8	172.8	-70.9	-11	0	0	0	110.9	S1002 P1003 L1007 K1008 L1009	S1002-N1005 WeakPolarHBondContact O-CB 3.19Å; S1002-N1005 PolarHBondContact O-N 3.45Å; P1003-N1005 PolarHBondContact O-N 3.43Å; N1005-L1007 PolarHBondContact O-N 3.37Å; N1005-K1008 PolarHBondContact O-N 3.5Å; N1005-K1008 VanDerWaalsContact O-N 3.13Å; N1005-L1009 PolarHBondContact O-N 3.29Å
1006	Q	37.1	Very low	40.5	Very low	76 Å²	76	106.8 Å²	106.8	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-55.3	-48.9	174.1	-68.9	-176.9	-9.2	0	0	111.5	D998 M1001 S1002 P1003 K1008 L1009 T1010	D998-Q1006 PolarHBondContact O-NE2 3.01Å; M1001-Q1006 HydrophobicContact CB-CG 4.49Å; S1002-Q1006 PolarHBondContact O-N 3.05Å; S1002-Q1006 VanDerWaalsContact O-N 3.16Å; P1003-Q1006 PolarHBondContact O-N 3.27Å; Q1006-K1008 PolarHBondContact O-N 3.22Å; Q1006-L1009 PolarHBondContact O-N 3.42Å; Q1006-T1010 WeakPolarHBondContact O-CG2 3.22Å; Q1006-T1010 PolarHBondContact O-N 3.32Å; Q1006-T1010 PolarHBondContact O-OG1 3.44Å
1007	L	37.8	Very low	42.4	Very low	116 Å²	116	102.1 Å²	102.1	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-20.2	179	-94.5	165.4	0	0	0	114.3	P1003 N1005 N1011	P1003-L1007 PolarHBondContact O-N 2.92Å; N1005-L1007 PolarHBondContact O-N 3.37Å; L1007-N1011 PolarHBondContact O-ND2 2.87Å
1008	K	41.4	Very low	44.1	Very low	125 Å²	125	100.2 Å²	100.2	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-83.4	-43.8	172.2	-72.2	171.1	-169.9	156.7	0	110.9	E1004 N1005 Q1006 F1012	E1004-K1008 VanDerWaalsContact O-CD 3.25Å; E1004-K1008 WeakPolarHBondContact O-CD 3.43Å; E1004-K1008 WeakPolarHBondContact O-CE 3.23Å; E1004-K1008 WeakPolarHBondContact O-CG 3.37Å; N1005-K1008 PolarHBondContact O-N 3.5Å; N1005-K1008 VanDerWaalsContact O-N 3.13Å; Q1006-K1008 PolarHBondContact O-N 3.22Å; K1008-F1012 WeakPolarHBondContact O-CB 3.48Å; K1008-F1012 WeakPolarHBondContact O-CD2 3.37Å; K1008-F1012 PolarHBondContact O-N 2.77Å; K1008-F1012 VanDerWaalsContact O-N 3.16Å
1009	L	30.8	Very low	46.1	Very low	97 Å²	97	99.5 Å²	99.5	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-69.9	-40.6	-175.6	-153.5	74.1	0	0	0	112.6	N1005 Q1006 F1012 M1013	N1005-L1009 PolarHBondContact O-N 3.29Å; Q1006-L1009 PolarHBondContact O-N 3.42Å; L1009-F1012 PolarHBondContact O-N 2.82Å; L1009-M1013 WeakPolarHBondContact O-CG 3.04Å; L1009-M1013 PolarHBondContact O-N 2.92Å
1010	T	35.2	Very low	47.9	Very low	75 Å²	75	95 Å²	95	46%	0.46	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-45.1	179	50.6	0	0	0	0	112.4	Q1006 F1012 M1013 Q1014	Q1006-T1010 WeakPolarHBondContact O-CG2 3.22Å; Q1006-T1010 PolarHBondContact O-N 3.32Å; Q1006-T1010 PolarHBondContact O-OG1 3.44Å; T1010-F1012 VanDerWaalsContact C-N 3.27Å; T1010-F1012 PolarHBondContact O-N 3.23Å; T1010-M1013 PolarHBondContact O-N 3.46Å; T1010-Q1014 PolarHBondContact O-N 3.24Å
1011	N	35.8	Very low	49.9	Very low	99 Å²	99	89.5 Å²	89.5	53%	0.529	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-26.7	175	-77.5	-67.7	0	0	0	113.2	L1007	L1007-N1011 PolarHBondContact O-ND2 2.87Å
1012	F	34.6	Very low	51.9	Low	84 Å²	84	85.2 Å²	85.2	37%	0.368	45%	0.448	S	S	.	.	H	α-helix	trans	-79.7	-36.8	177.4	-89.9	-128.3	0	0	0	113	K1008 L1009 T1010 Q1014 T1015 M1110	K1008-F1012 WeakPolarHBondContact O-CB 3.48Å; K1008-F1012 WeakPolarHBondContact O-CD2 3.37Å; K1008-F1012 PolarHBondContact O-N 2.77Å; K1008-F1012 VanDerWaalsContact O-N 3.16Å; L1009-F1012 PolarHBondContact O-N 2.82Å; T1010-F1012 VanDerWaalsContact C-N 3.27Å; T1010-F1012 PolarHBondContact O-N 3.23Å; F1012-Q1014 VanDerWaalsContact C-N 3.31Å; F1012-Q1014 PolarHBondContact O-N 3.1Å; F1012-T1015 PolarHBondContact O-OG1 3.43Å; F1012-M1110 HydrophobicContact CD1-CE 4.36Å; F1012-M1110 HydrophobicContact CE1-CB 4.33Å; F1012-M1110 HydrophobicContact CE1-CE 3.62Å; F1012-M1110 HydrophobicContact CE1-CG 3.88Å; F1012-M1110 HydrophobicContact CE1-SD 4.48Å; F1012-M1110 HydrophobicContact CZ-CE 4.13Å; F1012-M1110 HydrophobicContact CZ-CG 3.9Å
1013	M	35.7	Very low	52.8	Low	144 Å²	144	91.8 Å²	91.8	71%	0.709	47%	0.469	S	S	*	.	H	α-helix	trans	-72.4	-21.6	180	-71.2	-65.2	-172.1	0	0	113.6	L1009 T1010	L1009-M1013 WeakPolarHBondContact O-CG 3.04Å; L1009-M1013 PolarHBondContact O-N 2.92Å; T1010-M1013 PolarHBondContact O-N 3.46Å
1014	Q	43.9	Very low	53.9	Low	157 Å²	157	93 Å²	93	73%	0.734	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.8	-174.4	-66.5	-173.7	-8.8	0	0	114.9	T1010 F1012 N1016	T1010-Q1014 PolarHBondContact O-N 3.24Å; F1012-Q1014 VanDerWaalsContact C-N 3.31Å; F1012-Q1014 PolarHBondContact O-N 3.1Å; Q1014-N1016 PolarHBondContact O-N 3.47Å
1015	T	47.2	Very low	55.4	Low	53 Å²	53	89.6 Å²	89.6	33%	0.325	45%	0.453	S	S	.	.			trans	-80.6	100.4	169	51.2	0	0	0	0	110.2	F1012 V1017 T1043	F1012-T1015 PolarHBondContact O-OG1 3.43Å; T1015-V1017 PolarHBondContact O-N 2.8Å; T1015-T1043 HydrophobicContact CG2-CG2 4.44Å
1016	N	62.7	Low	57.3	Low	129 Å²	129	89.3 Å²	89.3	69%	0.69	45%	0.451	S	S	*	.			trans	-68.4	68.1	177.8	-73.1	-3	0	0	0	112.7	Q1014	Q1014-N1016 PolarHBondContact O-N 3.47Å
1017	V	76	Confident	59.5	Low	2 Å²	2	86 Å²	86	1%	0.012	44%	0.436	C	S	.	.			trans	-68.5	-36.7	-178.8	165.9	0	0	0	0	112.2	T1015 I1039 D1040 T1043 V1044 L1047	T1015-V1017 PolarHBondContact O-N 2.8Å; V1017-I1039 HydrophobicContact CG1-CG2 3.96Å; V1017-I1039 WeakPolarHBondContact O-CA 3.18Å; V1017-D1040 PolarHBondContact O-N 3.04Å; V1017-T1043 HydrophobicContact CG2-CG2 3.85Å; V1017-V1044 HydrophobicContact CG1-CG2 3.52Å; V1017-L1047 HydrophobicContact CG2-CD1 3.74Å
1018	F	81.1	Confident	61.6	Low	24 Å²	24	80.8 Å²	80.8	11%	0.105	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.1	-175.7	-59.1	-92.3	0	0	0	111.4	V1037 I1039 L1102 P1114 I1116	F1018-V1037 HydrophobicContact CB-CG1 4.01Å; F1018-V1037 HydrophobicContact CD1-CG1 3.79Å; F1018-V1037 HydrophobicContact CG-CG1 4.4Å; F1018-I1039 HydrophobicContact CD1-CD1 3.66Å; F1018-I1039 HydrophobicContact CD1-CG1 3.71Å; F1018-I1039 HydrophobicContact CE1-CD1 3.43Å; F1018-I1039 VanDerWaalsContact CE1-CD1 3.43Å; F1018-I1039 HydrophobicContact CE1-CG1 4.02Å; F1018-I1039 HydrophobicContact CZ-CD1 4.43Å; F1018-L1102 HydrophobicContact CZ-CB 4.11Å; F1018-P1114 VanDerWaalsContact CE2-C 3.49Å; F1018-P1114 HydrophobicContact CE2-CB 4.06Å; F1018-P1114 WeakPolarHBondContact CE2-O 3.15Å; F1018-P1114 WeakPolarHBondContact CZ-O 3.25Å; F1018-I1116 HydrophobicContact CB-CB 3.91Å; F1018-I1116 HydrophobicContact CB-CD1 4.08Å; F1018-I1116 HydrophobicContact CB-CG2 3.74Å; F1018-I1116 HydrophobicContact CD1-CG2 3.73Å; F1018-I1116 HydrophobicContact CD2-CB 4.38Å; F1018-I1116 HydrophobicContact CD2-CG2 4.43Å; F1018-I1116 HydrophobicContact CE1-CG2 4.39Å; F1018-I1116 HydrophobicContact CG-CB 4.06Å; F1018-I1116 HydrophobicContact CG-CG2 3.74Å
1019	N	83.6	Confident	63.4	Low	72 Å²	72	74.9 Å²	74.9	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	106.6	176.4	-65.5	-91.5	0	0	0	108.3	K1038	N1019-K1038 HydrophobicContact CB-CB 4.35Å; N1019-K1038 PolarHBondContact N-O 3.45Å; N1019-K1038 PolarHBondContact O-N 2.91Å
1020	P	81.7	Confident	65.4	Low	75 Å²	75	70.3 Å²	70.3	49%	0.487	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.5	177.2	30	-32.9	0	0	0	110.3	I1116 I1118	P1020-I1116 HydrophobicContact CB-CD1 4.21Å; P1020-I1116 HydrophobicContact CG-CD1 3.93Å; P1020-I1118 HydrophobicContact CB-CD1 4.02Å
1021	I	81.7	Confident	67.6	Low	57 Å²	57	69.9 Å²	69.9	29%	0.292	35%	0.352	S	S	.	.			trans	-113.6	-24.7	-179.1	-70.1	174.6	0	0	0	111.6	Q1036 K1038 R1080	I1021-Q1036 HydrophobicContact CB-CB 3.86Å; I1021-Q1036 HydrophobicContact CG2-CB 4.1Å; I1021-Q1036 PolarHBondContact N-O 3.3Å; I1021-K1038 HydrophobicContact CD1-CB 3.69Å; I1021-K1038 HydrophobicContact CG1-CB 4.41Å; I1021-R1080 HydrophobicContact CD1-CG 4.36Å
1022	T	74.5	Confident	69.7	Low	30 Å²	30	67.1 Å²	67.1	18%	0.184	34%	0.337	C	S	.	.			trans	-55.6	136.9	178.2	-32.5	0	0	0	0	111.7	L1025 E1034 I1035 Q1036	T1022-L1025 HydrophobicContact CG2-CD2 4.32Å; T1022-E1034 WeakPolarHBondContact CG2-O 3.39Å; T1022-I1035 WeakPolarHBondContact OG1-CA 3.16Å; T1022-I1035 WeakPolarHBondContact OG1-CG2 3.46Å; T1022-Q1036 PolarHBondContact OG1-N 3.38Å; T1022-Q1036 PolarHBondContact OG1-O 3.09Å
1023	K	59.9	Low	72.2	Confident	197 Å²	197	63.2 Å²	63.2	86%	0.857	32%	0.32	S	S	*	.			trans	-116.1	-37.3	-178.5	-62.4	-164.4	174.5	-162	0	113.9	L1025	K1023-L1025 PolarHBondContact O-N 3.23Å
1024	E	64.7	Low	74.7	Confident	113 Å²	113	59.1 Å²	59.1	53%	0.528	30%	0.299	S	S	.	.			trans	-83.6	109.5	172.9	-66.4	170.6	-149.2	0	0	107.7	L1027 K1031	E1024-L1027 HydrophobicContact CB-CD2 4.05Å; E1024-K1031 IonicContact OE2-NZ 2.75Å; E1024-K1031 PolarHBondContact OE2-NZ 3.12Å
1025	L	75.5	Confident	76.9	Confident	69 Å²	69	51.7 Å²	51.7	36%	0.361	26%	0.264	S	S	.	.			trans	-110.2	-0.4	176.4	-60.9	-178.7	0	0	0	112.5	T1022 K1023 I1118 V1120 S1121	T1022-L1025 HydrophobicContact CG2-CD2 4.32Å; K1023-L1025 PolarHBondContact O-N 3.23Å; L1025-I1118 HydrophobicContact CD2-CG2 3.63Å; L1025-V1120 HydrophobicContact CD2-CG2 4.29Å; L1025-V1120 CarbonylContact O-C 3.51Å; L1025-V1120 VanDerWaalsContact O-CA 3.28Å; L1025-V1120 WeakPolarHBondContact O-CA 3.16Å; L1025-V1120 WeakPolarHBondContact O-CG1 2.96Å; L1025-S1121 PolarHBondContact O-N 3.32Å; L1025-S1121 PolarHBondContact O-OG 3.3Å
1026	D	82.8	Confident	78.9	Confident	82 Å²	82	51 Å²	51	44%	0.439	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.4	170.2	-170.2	32.9	0	0	0	108.2	S1121 H1123	D1026-S1121 WeakPolarHBondContact CA-O 3.29Å; D1026-S1121 WeakPolarHBondContact CA-OG 3.39Å; D1026-S1121 VanDerWaalsContact CB-OG 3.31Å; D1026-S1121 WeakPolarHBondContact CB-OG 3.15Å; D1026-S1121 WeakPolarHBondContact OD1-CB 2.89Å; D1026-S1121 PolarHBondContact OD1-OG 2.77Å; D1026-H1123 IonicContact OD1-CE1 2.63Å; D1026-H1123 IonicContact OD1-ND1 2.73Å; D1026-H1123 PolarHBondContact OD1-ND1 3.16Å; D1026-H1123 IonicContact OD2-CE1 3.75Å; D1026-H1123 PolarHBondContact OD2-CE1 2.69Å; D1026-H1123 VanDerWaalsContact OD2-CE1 3.3Å; D1026-H1123 IonicContact OD2-ND1 3.24Å; D1026-H1123 PolarHBondContact OD2-ND1 2.65Å
1027	L	82.5	Confident	80.2	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.1	-164.9	-71.9	168	0	0	0	112.9	E1024 K1031 L1033 V1120 S1121 F1122 H1123	E1024-L1027 HydrophobicContact CB-CD2 4.05Å; L1027-K1031 HydrophobicContact CD2-CD 3.88Å; L1027-L1033 HydrophobicContact CD1-CD1 3.46Å; L1027-L1033 VanDerWaalsContact CD1-CD1 3.46Å; L1027-V1120 HydrophobicContact CD1-CG1 4.19Å; L1027-S1121 PolarHBondContact N-O 2.77Å; L1027-S1121 VanDerWaalsContact N-O 3.14Å; L1027-F1122 HydrophobicContact CB-CD1 3.85Å; L1027-F1122 HydrophobicContact CB-CE1 3.93Å; L1027-F1122 HydrophobicContact CD1-CE1 4.08Å; L1027-F1122 WeakPolarHBondContact O-CA 3.32Å; L1027-F1122 WeakPolarHBondContact O-CD1 3.06Å; L1027-H1123 PolarHBondContact O-N 3.3Å
1028	P	83	Confident	80.8	Confident	7 Å²	7	48.6 Å²	48.6	5%	0.045	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	139.8	176.5	24.3	-33	0	0	0	112.6	G1030 K1031 H1123 P1125 E1129	P1028-G1030 PolarHBondContact O-N 2.72Å; P1028-K1031 HydrophobicContact CG-CB 4.03Å; P1028-K1031 HydrophobicContact CG-CD 4.02Å; P1028-K1031 WeakPolarHBondContact O-CB 3.36Å; P1028-K1031 PolarHBondContact O-N 3.2Å; P1028-H1123 WeakPolarHBondContact CD-NE2 2.92Å; P1028-P1125 HydrophobicContact CB-CB 3.79Å; P1028-E1129 WeakPolarHBondContact CG-OE1 3.18Å
1029	I	79.2	Confident	81	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	102.3	176.6	-62.2	173.7	0	0	0	110.3	P1092 F1122 H1123 V1177 W1179	I1029-P1092 HydrophobicContact CD1-CB 3.84Å; I1029-P1092 HydrophobicContact CD1-CG 4.25Å; I1029-F1122 HydrophobicContact CD1-CB 4.37Å; I1029-F1122 HydrophobicContact CG1-CB 3.98Å; I1029-H1123 PolarHBondContact N-O 2.68Å; I1029-H1123 VanDerWaalsContact N-O 3.07Å; I1029-V1177 HydrophobicContact CG2-CG1 4.36Å; I1029-V1177 HydrophobicContact CG2-CG2 4.4Å; I1029-W1179 HydrophobicContact CB-CZ2 4.19Å; I1029-W1179 HydrophobicContact CG2-CZ2 4.43Å; I1029-W1179 PolarHBondContact O-NE1 3.49Å
1030	G	72.7	Confident	81.1	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	147.5	-32.7	-169.4	0	0	0	0	0	111.6	P1028 T1087 Q1236 N1241	P1028-G1030 PolarHBondContact O-N 2.72Å; G1030-T1087 PolarHBondContact N-OG1 2.93Å; G1030-Q1236 VanDerWaalsContact C-NE2 3.34Å; G1030-Q1236 VanDerWaalsContact CA-NE2 3.35Å; G1030-Q1236 WeakPolarHBondContact O-CG 3.43Å; G1030-Q1236 PolarHBondContact O-NE2 2.97Å; G1030-N1241 PolarHBondContact O-ND2 2.82Å
1031	K	81.1	Confident	81.1	Confident	65 Å²	65	45.7 Å²	45.7	28%	0.283	22%	0.22	S	C	.	.	S	Bend	trans	-82	143	177	-164.3	172.2	-175.6	-171.6	0	111.2	E1024 L1027 P1028 T1087 E1133 Q1236	E1024-K1031 IonicContact OE2-NZ 2.75Å; E1024-K1031 PolarHBondContact OE2-NZ 3.12Å; L1027-K1031 HydrophobicContact CD2-CD 3.88Å; P1028-K1031 HydrophobicContact CG-CB 4.03Å; P1028-K1031 HydrophobicContact CG-CD 4.02Å; P1028-K1031 WeakPolarHBondContact O-CB 3.36Å; P1028-K1031 PolarHBondContact O-N 3.2Å; K1031-T1087 WeakPolarHBondContact O-CG2 3.36Å; K1031-T1087 PolarHBondContact O-OG1 2.89Å; K1031-E1133 WeakPolarHBondContact CA-OE1 3.36Å; K1031-E1133 WeakPolarHBondContact CB-OE1 3.45Å; K1031-Q1236 PolarHBondContact O-OE1 3.12Å
1032	L	80.5	Confident	81	Confident	42 Å²	42	48.4 Å²	48.4	22%	0.22	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	176.5	-172.5	76	0	0	0	110.4	S1085 T1086	L1032-S1085 WeakPolarHBondContact CD1-O 3.49Å; L1032-T1086 HydrophobicContact CD1-CG2 4.11Å
1033	L	85.7	Confident	81.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.6	171	175.4	66.7	0	0	0	109.6	L1027 I1035 R1084 S1085 T1087 Y1098 V1120 F1122	L1027-L1033 HydrophobicContact CD1-CD1 3.46Å; L1027-L1033 VanDerWaalsContact CD1-CD1 3.46Å; L1033-I1035 HydrophobicContact CD1-CD1 4.15Å; L1033-I1035 HydrophobicContact CD1-CG1 3.77Å; L1033-I1035 HydrophobicContact CD2-CD1 4.17Å; L1033-I1035 HydrophobicContact CD2-CG1 4.35Å; L1033-I1035 HydrophobicContact CG-CD1 4.37Å; L1033-I1035 HydrophobicContact CG-CG1 4.01Å; L1033-R1084 CarbonylContact O-C 3.56Å; L1033-R1084 VanDerWaalsContact O-CA 3.26Å; L1033-R1084 WeakPolarHBondContact O-CA 3.35Å; L1033-S1085 WeakPolarHBondContact CB-O 3.44Å; L1033-S1085 PolarHBondContact N-O 3.05Å; L1033-S1085 PolarHBondContact O-N 3.26Å; L1033-T1087 HydrophobicContact CB-CG2 3.96Å; L1033-Y1098 HydrophobicContact CD2-CD2 4.49Å; L1033-Y1098 HydrophobicContact CD2-CE1 3.97Å; L1033-Y1098 HydrophobicContact CD2-CE2 3.78Å; L1033-Y1098 VanDerWaalsContact CD2-CZ 3.48Å; L1033-Y1098 WeakPolarHBondContact CD2-OH 3.32Å; L1033-V1120 HydrophobicContact CD1-CG1 4.05Å; L1033-F1122 HydrophobicContact CD1-CE1 4.38Å; L1033-F1122 HydrophobicContact CD1-CZ 4.16Å; L1033-F1122 HydrophobicContact CD2-CZ 4.16Å
1034	E	89.4	Confident	81.9	Confident	58 Å²	58	39 Å²	39	27%	0.271	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	112.7	167.4	-174.7	176.5	137.9	0	0	110.6	T1022 Q1036 I1082 L1083 R1084	T1022-E1034 WeakPolarHBondContact CG2-O 3.39Å; E1034-Q1036 HydrophobicContact CG-CG 4.43Å; E1034-Q1036 PolarHBondContact OE1-NE2 3.16Å; E1034-I1082 HydrophobicContact CG-CG2 3.51Å; E1034-L1083 CarbonylContact C-O 3.42Å; E1034-L1083 WeakPolarHBondContact CA-O 3.49Å; E1034-R1084 HydrophobicContact CB-CG 4.22Å; E1034-R1084 HydrophobicContact CG-CG 3.95Å; E1034-R1084 IonicContact OE2-CZ 2.65Å; E1034-R1084 IonicContact OE2-NE 2.97Å; E1034-R1084 PolarHBondContact OE2-NE 3.37Å; E1034-R1084 IonicContact OE2-NH2 2.84Å; E1034-R1084 PolarHBondContact OE2-NH2 3.14Å
1035	I	89	Confident	82.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.1	176	-49.7	-177.2	0	0	0	109.1	T1022 L1033 W1059 I1082 L1083 Y1098 I1118 V1120	T1022-I1035 WeakPolarHBondContact OG1-CA 3.16Å; T1022-I1035 WeakPolarHBondContact OG1-CG2 3.46Å; L1033-I1035 HydrophobicContact CD1-CD1 4.15Å; L1033-I1035 HydrophobicContact CD1-CG1 3.77Å; L1033-I1035 HydrophobicContact CD2-CD1 4.17Å; L1033-I1035 HydrophobicContact CD2-CG1 4.35Å; L1033-I1035 HydrophobicContact CG-CD1 4.37Å; L1033-I1035 HydrophobicContact CG-CG1 4.01Å; I1035-W1059 HydrophobicContact CB-CH2 4.13Å; I1035-W1059 HydrophobicContact CB-CZ3 4.24Å; I1035-W1059 HydrophobicContact CG2-CH2 3.73Å; I1035-W1059 HydrophobicContact CG2-CZ3 3.87Å; I1035-I1082 WeakPolarHBondContact O-CA 3.14Å; I1035-L1083 HydrophobicContact CB-CB 4.43Å; I1035-L1083 HydrophobicContact CD1-CD2 4.48Å; I1035-L1083 PolarHBondContact N-O 3.34Å; I1035-L1083 PolarHBondContact O-N 3.21Å; I1035-Y1098 HydrophobicContact CD1-CD1 4.15Å; I1035-Y1098 HydrophobicContact CD1-CD2 3.68Å; I1035-Y1098 HydrophobicContact CD1-CE2 4.4Å; I1035-Y1098 HydrophobicContact CD1-CG 3.52Å; I1035-I1118 HydrophobicContact CG2-CD1 3.56Å; I1035-I1118 HydrophobicContact CG2-CG2 4.47Å; I1035-V1120 HydrophobicContact CD1-CG2 3.98Å
1036	Q	90.7	Very high	82.3	Confident	38 Å²	38	40.9 Å²	40.9	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.1	176.4	-63.2	-162.8	13.4	0	0	111.5	I1021 T1022 E1034 R1080 I1082	I1021-Q1036 HydrophobicContact CB-CB 3.86Å; I1021-Q1036 HydrophobicContact CG2-CB 4.1Å; I1021-Q1036 PolarHBondContact N-O 3.3Å; T1022-Q1036 PolarHBondContact OG1-N 3.38Å; T1022-Q1036 PolarHBondContact OG1-O 3.09Å; E1034-Q1036 HydrophobicContact CG-CG 4.43Å; E1034-Q1036 PolarHBondContact OE1-NE2 3.16Å; Q1036-R1080 VanDerWaalsContact OE1-NH1 3.12Å; Q1036-I1082 HydrophobicContact CG-CD1 4.12Å; Q1036-I1082 HydrophobicContact CG-CG1 3.95Å; Q1036-I1082 HydrophobicContact CG-CG2 4.08Å
1037	V	88.8	Confident	81.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.5	170.9	176.4	0	0	0	0	109.7	F1018 I1039 W1059 F1081 I1116 I1118	F1018-V1037 HydrophobicContact CB-CG1 4.01Å; F1018-V1037 HydrophobicContact CD1-CG1 3.79Å; F1018-V1037 HydrophobicContact CG-CG1 4.4Å; V1037-I1039 HydrophobicContact CG1-CG1 4.35Å; V1037-W1059 HydrophobicContact CB-CH2 4.42Å; V1037-W1059 HydrophobicContact CG2-CH2 3.76Å; V1037-W1059 HydrophobicContact CG2-CZ2 4.32Å; V1037-F1081 PolarHBondContact N-O 2.7Å; V1037-F1081 PolarHBondContact O-N 3.14Å; V1037-I1116 HydrophobicContact CG1-CG2 4.15Å; V1037-I1116 HydrophobicContact CG2-CG2 4.34Å; V1037-I1118 HydrophobicContact CG2-CD1 3.59Å
1038	K	88.8	Confident	80.9	Confident	82 Å²	82	39.1 Å²	39.1	36%	0.357	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.9	170.1	163.6	170.4	170	141.7	0	109.9	N1019 I1021 D1079 R1080	N1019-K1038 HydrophobicContact CB-CB 4.35Å; N1019-K1038 PolarHBondContact N-O 3.45Å; N1019-K1038 PolarHBondContact O-N 2.91Å; I1021-K1038 HydrophobicContact CD1-CB 3.69Å; I1021-K1038 HydrophobicContact CG1-CB 4.41Å; K1038-D1079 CarbonylContact C-O 3.58Å; K1038-D1079 WeakPolarHBondContact CA-O 3.39Å; K1038-D1079 VanDerWaalsContact CD-OD2 3.27Å; K1038-D1079 WeakPolarHBondContact CD-OD2 3.38Å; K1038-D1079 WeakPolarHBondContact CE-OD2 3.39Å; K1038-D1079 HydrophobicContact CG-CB 4.4Å; K1038-D1079 IonicContact NZ-OD2 3.61Å; K1038-D1079 PolarHBondContact NZ-OD2 2.95Å; K1038-R1080 HydrophobicContact CB-CG 4.45Å
1039	I	85.7	Confident	80.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.9	177.5	-62.5	-172.3	0	0	0	109.4	V1017 F1018 V1037 E1041 V1044 V1057 D1079 F1081	V1017-I1039 HydrophobicContact CG1-CG2 3.96Å; V1017-I1039 WeakPolarHBondContact O-CA 3.18Å; F1018-I1039 HydrophobicContact CD1-CD1 3.66Å; F1018-I1039 HydrophobicContact CD1-CG1 3.71Å; F1018-I1039 HydrophobicContact CE1-CD1 3.43Å; F1018-I1039 VanDerWaalsContact CE1-CD1 3.43Å; F1018-I1039 HydrophobicContact CE1-CG1 4.02Å; F1018-I1039 HydrophobicContact CZ-CD1 4.43Å; V1037-I1039 HydrophobicContact CG1-CG1 4.35Å; I1039-E1041 PolarHBondContact O-N 2.97Å; I1039-E1041 VanDerWaalsContact O-N 3.11Å; I1039-V1044 HydrophobicContact CG2-CG2 3.58Å; I1039-V1057 HydrophobicContact CD1-CG1 3.55Å; I1039-D1079 PolarHBondContact N-O 2.58Å; I1039-F1081 HydrophobicContact CB-CD2 4.28Å; I1039-F1081 HydrophobicContact CB-CE2 4.09Å; I1039-F1081 HydrophobicContact CD1-CD2 3.57Å; I1039-F1081 HydrophobicContact CD1-CE2 3.66Å; I1039-F1081 HydrophobicContact CD1-CG 4.4Å; I1039-F1081 HydrophobicContact CG1-CD2 3.84Å; I1039-F1081 HydrophobicContact CG1-CE2 4.06Å
1040	D	85.7	Confident	79.6	Confident	58 Å²	58	50.9 Å²	50.9	31%	0.31	24%	0.244	S	C	.	.			trans	-75.5	95.7	170.2	176.9	17.4	0	0	0	110.4	V1017 E1042 T1043 V1044	V1017-D1040 PolarHBondContact O-N 3.04Å; D1040-E1042 PolarHBondContact O-N 2.72Å; D1040-E1042 PolarHBondContact OD1-N 2.79Å; D1040-T1043 PolarHBondContact O-N 2.96Å; D1040-T1043 WeakPolarHBondContact OD2-CB 3.41Å; D1040-T1043 PolarHBondContact OD2-N 3.36Å; D1040-T1043 PolarHBondContact OD2-OG1 3.13Å; D1040-V1044 WeakPolarHBondContact O-CG2 3.33Å; D1040-V1044 PolarHBondContact O-N 2.79Å
1041	E	81	Confident	79	Confident	51 Å²	51	52.3 Å²	52.3	24%	0.238	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-29.1	179.1	-58.1	-154.9	126.8	0	0	112.9	I1039 V1044 W1045 I1055 K1076	I1039-E1041 PolarHBondContact O-N 2.97Å; I1039-E1041 VanDerWaalsContact O-N 3.11Å; E1041-V1044 PolarHBondContact O-N 3.43Å; E1041-W1045 HydrophobicContact CB-CZ2 4.42Å; E1041-W1045 WeakPolarHBondContact O-CB 2.99Å; E1041-W1045 PolarHBondContact O-N 3.45Å; E1041-I1055 HydrophobicContact CB-CD1 3.73Å; E1041-I1055 HydrophobicContact CG-CD1 3.74Å; E1041-K1076 WeakPolarHBondContact OE1-CE 3.38Å; E1041-K1076 IonicContact OE1-NZ 2.62Å; E1041-K1076 PolarHBondContact OE1-NZ 3.24Å
1042	E	79.8	Confident	78	Confident	113 Å²	113	58.8 Å²	58.8	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-72.3	-40.8	-179.4	-155.8	-162.1	123.8	0	0	111.2	D1040 K1046	D1040-E1042 PolarHBondContact O-N 2.72Å; D1040-E1042 PolarHBondContact OD1-N 2.79Å; E1042-K1046 WeakPolarHBondContact O-CD 3.45Å; E1042-K1046 VanDerWaalsContact O-CG 3.28Å; E1042-K1046 WeakPolarHBondContact O-CG 3.35Å; E1042-K1046 PolarHBondContact O-N 3.46Å; E1042-K1046 WeakPolarHBondContact OE1-CE 3.42Å; E1042-K1046 IonicContact OE1-NZ 2.63Å; E1042-K1046 PolarHBondContact OE1-NZ 2.69Å
1043	T	79.5	Confident	77	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.184	30%	0.297	C	S	.	.	H	α-helix	trans	-69.7	-36.8	172.9	-63.6	0	0	0	0	111.6	T1015 V1017 D1040 K1046 L1047	T1015-T1043 HydrophobicContact CG2-CG2 4.44Å; V1017-T1043 HydrophobicContact CG2-CG2 3.85Å; D1040-T1043 PolarHBondContact O-N 2.96Å; D1040-T1043 WeakPolarHBondContact OD2-CB 3.41Å; D1040-T1043 PolarHBondContact OD2-N 3.36Å; D1040-T1043 PolarHBondContact OD2-OG1 3.13Å; T1043-K1046 PolarHBondContact O-N 3.39Å; T1043-L1047 HydrophobicContact CG2-CD1 4.21Å; T1043-L1047 WeakPolarHBondContact O-CG 3.41Å; T1043-L1047 PolarHBondContact O-N 3.44Å
1044	V	74.8	Confident	76.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-42.3	172.7	169.6	0	0	0	0	112.3	V1017 I1039 D1040 E1041 K1046 L1047 M1048 I1055 L1102	V1017-V1044 HydrophobicContact CG1-CG2 3.52Å; I1039-V1044 HydrophobicContact CG2-CG2 3.58Å; D1040-V1044 WeakPolarHBondContact O-CG2 3.33Å; D1040-V1044 PolarHBondContact O-N 2.79Å; E1041-V1044 PolarHBondContact O-N 3.43Å; V1044-K1046 VanDerWaalsContact C-N 3.34Å; V1044-K1046 PolarHBondContact O-N 2.86Å; V1044-L1047 PolarHBondContact O-N 3.19Å; V1044-M1048 HydrophobicContact CG1-CE 3.89Å; V1044-M1048 HydrophobicContact CG1-CG 4.25Å; V1044-M1048 HydrophobicContact CG1-SD 4.36Å; V1044-M1048 WeakPolarHBondContact O-CG 3.13Å; V1044-M1048 PolarHBondContact O-N 3.16Å; V1044-I1055 HydrophobicContact CB-CD1 3.92Å; V1044-I1055 HydrophobicContact CG1-CD1 3.52Å; V1044-I1055 HydrophobicContact CG1-CG1 3.75Å; V1044-I1055 HydrophobicContact CG1-CG2 4.22Å; V1044-L1102 HydrophobicContact CG1-CD1 4.14Å; V1044-L1102 HydrophobicContact CG1-CD2 4.02Å; V1044-L1102 HydrophobicContact CG2-CD1 4.2Å; V1044-L1102 HydrophobicContact CG2-CD2 4.29Å
1045	W	74.9	Confident	75.3	Confident	110 Å²	110	66.8 Å²	66.8	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-38	176.7	-68	-19.3	0	0	0	112.5	E1041 L1047 M1048 N1050	E1041-W1045 HydrophobicContact CB-CZ2 4.42Å; E1041-W1045 WeakPolarHBondContact O-CB 2.99Å; E1041-W1045 PolarHBondContact O-N 3.45Å; W1045-L1047 VanDerWaalsContact C-N 3.33Å; W1045-L1047 PolarHBondContact O-N 2.92Å; W1045-M1048 PolarHBondContact O-N 3.41Å; W1045-N1050 WeakPolarHBondContact O-CA 3.31Å; W1045-N1050 PolarHBondContact O-N 3.2Å
1046	K	72.2	Confident	74.9	Confident	112 Å²	112	71.4 Å²	71.4	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-41.7	173.4	-68	162.2	-163.9	157.9	0	111.5	E1042 T1043 V1044	E1042-K1046 WeakPolarHBondContact O-CD 3.45Å; E1042-K1046 VanDerWaalsContact O-CG 3.28Å; E1042-K1046 WeakPolarHBondContact O-CG 3.35Å; E1042-K1046 PolarHBondContact O-N 3.46Å; E1042-K1046 WeakPolarHBondContact OE1-CE 3.42Å; E1042-K1046 IonicContact OE1-NZ 2.63Å; E1042-K1046 PolarHBondContact OE1-NZ 2.69Å; T1043-K1046 PolarHBondContact O-N 3.39Å; V1044-K1046 VanDerWaalsContact C-N 3.34Å; V1044-K1046 PolarHBondContact O-N 2.86Å
1047	L	68.7	Low	74.7	Confident	38 Å²	38	70.4 Å²	70.4	20%	0.199	34%	0.341	C	S	.	.	H	α-helix	trans	-67.8	-42.8	176.6	-71.3	167.2	0	0	0	112.4	V1017 T1043 V1044 W1045 N1049 M1110	V1017-L1047 HydrophobicContact CG2-CD1 3.74Å; T1043-L1047 HydrophobicContact CG2-CD1 4.21Å; T1043-L1047 WeakPolarHBondContact O-CG 3.41Å; T1043-L1047 PolarHBondContact O-N 3.44Å; V1044-L1047 PolarHBondContact O-N 3.19Å; W1045-L1047 VanDerWaalsContact C-N 3.33Å; W1045-L1047 PolarHBondContact O-N 2.92Å; L1047-N1049 PolarHBondContact O-N 3.31Å; L1047-N1049 VanDerWaalsContact O-N 3.09Å; L1047-M1110 HydrophobicContact CB-CE 4.1Å; L1047-M1110 HydrophobicContact CB-SD 3.99Å; L1047-M1110 HydrophobicContact CD1-CE 4.38Å; L1047-M1110 HydrophobicContact CD2-CE 4.12Å; L1047-M1110 HydrophobicContact CG-CE 4.44Å
1048	M	67.7	Low	74.7	Confident	13 Å²	13	72.1 Å²	72.1	6%	0.064	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	32.6	179.8	-59.2	-155.8	-55.7	0	0	113.9	V1044 W1045 N1050 S1051 I1055 L1104	V1044-M1048 HydrophobicContact CG1-CE 3.89Å; V1044-M1048 HydrophobicContact CG1-CG 4.25Å; V1044-M1048 HydrophobicContact CG1-SD 4.36Å; V1044-M1048 WeakPolarHBondContact O-CG 3.13Å; V1044-M1048 PolarHBondContact O-N 3.16Å; W1045-M1048 PolarHBondContact O-N 3.41Å; M1048-N1050 PolarHBondContact O-N 3.06Å; M1048-N1050 VanDerWaalsContact O-N 3.09Å; M1048-S1051 WeakPolarHBondContact O-CB 3.43Å; M1048-S1051 PolarHBondContact O-N 2.9Å; M1048-S1051 PolarHBondContact O-OG 3.09Å; M1048-I1055 HydrophobicContact CE-CG1 4.06Å; M1048-L1104 HydrophobicContact CG-CD2 4.19Å; M1048-L1104 HydrophobicContact SD-CD2 4.14Å
1049	N	68.8	Low	74.8	Confident	133 Å²	133	68.3 Å²	68.3	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	30.9	177.4	-67.9	-52.9	0	0	0	114.9	L1047 S1051	L1047-N1049 PolarHBondContact O-N 3.31Å; L1047-N1049 VanDerWaalsContact O-N 3.09Å; N1049-S1051 PolarHBondContact O-N 3.16Å
1050	N	65.6	Low	74.9	Confident	120 Å²	120	71 Å²	71	64%	0.642	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	23.8	-174.4	-51.7	-76.8	0	0	0	115.2	W1045 M1048 K1052	W1045-N1050 WeakPolarHBondContact O-CA 3.31Å; W1045-N1050 PolarHBondContact O-N 3.2Å; M1048-N1050 PolarHBondContact O-N 3.06Å; M1048-N1050 VanDerWaalsContact O-N 3.09Å; N1050-K1052 PolarHBondContact O-N 2.84Å
1051	S	61.8	Low	75	Confident	32 Å²	32	70.1 Å²	70.1	22%	0.224	34%	0.338	C	S	.	.			trans	-63.6	123.8	166.8	56.1	0	0	0	0	109.9	M1048 N1049 E1053	M1048-S1051 WeakPolarHBondContact O-CB 3.43Å; M1048-S1051 PolarHBondContact O-N 2.9Å; M1048-S1051 PolarHBondContact O-OG 3.09Å; N1049-S1051 PolarHBondContact O-N 3.16Å; S1051-E1053 PolarHBondContact O-N 2.65Å
1052	K	59.6	Low	75.1	Confident	201 Å²	201	71.1 Å²	71.1	87%	0.874	35%	0.345	S	S	*	.			trans	-82.8	40.4	177.9	-68.9	-166.7	173.3	-169.1	0	112.3	N1050	N1050-K1052 PolarHBondContact O-N 2.84Å
1053	E	58.1	Low	75.1	Confident	114 Å²	114	70.9 Å²	70.9	53%	0.533	36%	0.356	S	S	.	.			trans	-80.5	146.2	174.9	-67.3	-178.5	-168.9	0	0	109.6	S1051 I1055	S1051-E1053 PolarHBondContact O-N 2.65Å; E1053-I1055 PolarHBondContact O-N 2.78Å
1054	N	66.8	Low	75.3	Confident	148 Å²	148	74.2 Å²	74.2	79%	0.791	38%	0.376	S	S	*	.			trans	-64.6	112.3	-179.2	-78	-15.2	0	0	0	109.3	Q1056	N1054-Q1056 PolarHBondContact O-N 2.94Å
1055	I	73.2	Confident	75.9	Confident	8 Å²	8	77.8 Å²	77.8	4%	0.041	40%	0.395	C	S	.	.			trans	-55.2	116.4	177.8	-61.3	168.6	0	0	0	109.1	E1041 V1044 M1048 E1053 K1076 F1081 L1102	E1041-I1055 HydrophobicContact CB-CD1 3.73Å; E1041-I1055 HydrophobicContact CG-CD1 3.74Å; V1044-I1055 HydrophobicContact CB-CD1 3.92Å; V1044-I1055 HydrophobicContact CG1-CD1 3.52Å; V1044-I1055 HydrophobicContact CG1-CG1 3.75Å; V1044-I1055 HydrophobicContact CG1-CG2 4.22Å; M1048-I1055 HydrophobicContact CE-CG1 4.06Å; E1053-I1055 PolarHBondContact O-N 2.78Å; I1055-K1076 PolarHBondContact O-NZ 3.33Å; I1055-F1081 HydrophobicContact CB-CZ 4.43Å; I1055-F1081 HydrophobicContact CG2-CE2 4.41Å; I1055-F1081 HydrophobicContact CG2-CZ 3.92Å; I1055-F1081 WeakPolarHBondContact O-CZ 3.21Å; I1055-L1102 HydrophobicContact CG2-CD1 3.72Å
1056	Q	80.4	Confident	76.4	Confident	97 Å²	97	73.7 Å²	73.7	45%	0.453	38%	0.381	S	S	.	.			trans	-112.5	156.1	174.9	-74.2	-179.1	22.3	0	0	110.1	N1054 R1103	N1054-Q1056 PolarHBondContact O-N 2.94Å; Q1056-R1103 HydrophobicContact CB-CB 3.92Å; Q1056-R1103 WeakPolarHBondContact O-CB 3.21Å; Q1056-R1103 PolarHBondContact O-N 3.3Å; Q1056-R1103 VanDerWaalsContact OE1-CD 3.25Å
1057	V	86.6	Confident	76.9	Confident	17 Å²	17	75.2 Å²	75.2	10%	0.103	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.2	171.3	-59.7	0	0	0	0	110	I1039 F1081 I1101 L1102	I1039-V1057 HydrophobicContact CD1-CG1 3.55Å; V1057-F1081 HydrophobicContact CB-CD1 4.4Å; V1057-F1081 HydrophobicContact CG1-CD1 4.13Å; V1057-F1081 HydrophobicContact CG1-CD2 4.44Å; V1057-F1081 HydrophobicContact CG1-CE1 4.11Å; V1057-F1081 HydrophobicContact CG1-CE2 4.47Å; V1057-F1081 HydrophobicContact CG1-CG 4.26Å; V1057-F1081 HydrophobicContact CG1-CZ 4.28Å; V1057-F1081 HydrophobicContact CG2-CB 4.07Å; V1057-F1081 HydrophobicContact CG2-CD1 3.43Å; V1057-F1081 VanDerWaalsContact CG2-CD1 3.43Å; V1057-F1081 HydrophobicContact CG2-CE1 4.01Å; V1057-F1081 HydrophobicContact CG2-CG 3.87Å; V1057-I1101 CarbonylContact C-O 3.56Å; V1057-I1101 VanDerWaalsContact CA-O 3.23Å; V1057-I1101 WeakPolarHBondContact CA-O 3.5Å; V1057-I1101 WeakPolarHBondContact CB-O 3.48Å; V1057-L1102 HydrophobicContact CG1-CD1 4.5Å
1058	N	88.4	Confident	77.5	Confident	36 Å²	36	78.1 Å²	78.1	19%	0.193	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.7	166.5	-68.5	4.8	0	0	0	108	Y1060 L1065 I1101	N1058-Y1060 HydrophobicContact CB-CD2 4.41Å; N1058-Y1060 HydrophobicContact CB-CE2 3.61Å; N1058-L1065 HydrophobicContact CB-CD1 3.9Å; N1058-I1101 PolarHBondContact N-O 3.07Å; N1058-I1101 PolarHBondContact O-N 2.91Å
1059	W	91.1	Very high	78	Confident	3 Å²	3	80.2 Å²	80.2	1%	0.011	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.8	172.3	-72.6	79.5	0	0	0	110.5	I1035 V1037 I1066 M1074 L1083 T1099 C1100	I1035-W1059 HydrophobicContact CB-CH2 4.13Å; I1035-W1059 HydrophobicContact CB-CZ3 4.24Å; I1035-W1059 HydrophobicContact CG2-CH2 3.73Å; I1035-W1059 HydrophobicContact CG2-CZ3 3.87Å; V1037-W1059 HydrophobicContact CB-CH2 4.42Å; V1037-W1059 HydrophobicContact CG2-CH2 3.76Å; V1037-W1059 HydrophobicContact CG2-CZ2 4.32Å; W1059-I1066 HydrophobicContact CB-CB 4.47Å; W1059-I1066 HydrophobicContact CB-CD1 4.1Å; W1059-I1066 WeakPolarHBondContact O-CB 3.48Å; W1059-I1066 PolarHBondContact O-N 3.05Å; W1059-M1074 HydrophobicContact CB-CE 3.93Å; W1059-M1074 HydrophobicContact CG-CE 4.06Å; W1059-L1083 HydrophobicContact CB-CD1 4.27Å; W1059-L1083 HydrophobicContact CB-CD2 4.33Å; W1059-L1083 HydrophobicContact CD2-CB 3.94Å; W1059-L1083 HydrophobicContact CD2-CD1 4.5Å; W1059-L1083 HydrophobicContact CD2-CD2 3.97Å; W1059-L1083 HydrophobicContact CD2-CG 4.37Å; W1059-L1083 HydrophobicContact CE3-CB 4.12Å; W1059-L1083 HydrophobicContact CE3-CD2 3.65Å; W1059-L1083 HydrophobicContact CE3-CG 4.44Å; W1059-L1083 HydrophobicContact CG-CB 4.47Å; W1059-L1083 HydrophobicContact CG-CD1 4.22Å; W1059-L1083 HydrophobicContact CG-CD2 4.3Å; W1059-L1083 HydrophobicContact CH2-CB 4.21Å; W1059-L1083 HydrophobicContact CZ2-CB 4.07Å; W1059-L1083 HydrophobicContact CZ3-CB 4.25Å; W1059-L1083 HydrophobicContact CZ3-CD2 4.19Å; W1059-T1099 CarbonylContact C-O 3.56Å; W1059-T1099 WeakPolarHBondContact CA-O 2.9Å; W1059-C1100 HydrophobicContact CD2-CB 3.87Å; W1059-C1100 HydrophobicContact CE3-CB 3.84Å; W1059-C1100 HydrophobicContact CH2-CB 3.91Å; W1059-C1100 HydrophobicContact CZ2-CB 3.9Å; W1059-C1100 HydrophobicContact CZ3-CB 3.86Å
1060	Y	87.7	Confident	78.2	Confident	56 Å²	56	79.1 Å²	79.1	22%	0.22	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.8	-179.7	-64.6	-105.4	0	0	0	110.1	N1058 T1064 L1065 Y1098 T1099 I1101	N1058-Y1060 HydrophobicContact CB-CD2 4.41Å; N1058-Y1060 HydrophobicContact CB-CE2 3.61Å; Y1060-T1064 CarbonylContact C-O 3.54Å; Y1060-T1064 WeakPolarHBondContact CA-O 3.48Å; Y1060-T1064 WeakPolarHBondContact CB-O 3.25Å; Y1060-L1065 HydrophobicContact CD1-CB 4.01Å; Y1060-L1065 HydrophobicContact CD1-CD1 4.35Å; Y1060-L1065 HydrophobicContact CD2-CD1 4.37Å; Y1060-L1065 HydrophobicContact CE1-CB 3.75Å; Y1060-L1065 HydrophobicContact CE1-CD1 3.87Å; Y1060-L1065 HydrophobicContact CE1-CG 4.4Å; Y1060-L1065 HydrophobicContact CE2-CD1 3.88Å; Y1060-Y1098 CarbonylContact O-C 3.05Å; Y1060-Y1098 VanDerWaalsContact O-CA 3.28Å; Y1060-Y1098 WeakPolarHBondContact O-CA 3.25Å; Y1060-T1099 PolarHBondContact N-O 3.13Å; Y1060-T1099 PolarHBondContact O-N 3.17Å; Y1060-I1101 HydrophobicContact CD2-CD1 3.66Å; Y1060-I1101 HydrophobicContact CD2-CG1 3.87Å; Y1060-I1101 HydrophobicContact CE2-CB 4.26Å; Y1060-I1101 HydrophobicContact CE2-CD1 3.5Å; Y1060-I1101 HydrophobicContact CE2-CG1 3.88Å
1061	Q	87.2	Confident	78.6	Confident	40 Å²	40	75.2 Å²	75.2	19%	0.187	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117	172.4	-176.4	-174.1	11.5	0	0	108.4	S1063 T1064 I1066 L1090 Y1096 N1097 Y1098	Q1061-S1063 PolarHBondContact O-N 2.77Å; Q1061-S1063 VanDerWaalsContact O-N 3.15Å; Q1061-T1064 PolarHBondContact N-O 3.4Å; Q1061-T1064 WeakPolarHBondContact O-CB 3.25Å; Q1061-T1064 PolarHBondContact O-N 3.42Å; Q1061-I1066 HydrophobicContact CB-CD1 3.99Å; Q1061-I1066 HydrophobicContact CB-CG1 4.07Å; Q1061-L1090 VanDerWaalsContact NE2-CD2 3.25Å; Q1061-Y1096 HydrophobicContact CG-CD1 4.16Å; Q1061-N1097 WeakPolarHBondContact CA-O 3.47Å; Q1061-Y1098 HydrophobicContact CB-CD1 4.22Å; Q1061-Y1098 HydrophobicContact CB-CE1 4Å; Q1061-Y1098 HydrophobicContact CG-CD1 4.31Å; Q1061-Y1098 HydrophobicContact CG-CE1 3.76Å; Q1061-Y1098 PolarHBondContact NE2-OH 3.17Å
1062	N	83.6	Confident	79.6	Confident	72 Å²	72	74 Å²	74	39%	0.385	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	42.3	-177.2	-68.6	-15	0	0	0	113.2	T1064 N1097	N1062-T1064 VanDerWaalsContact C-N 3.33Å; N1062-T1064 PolarHBondContact O-N 2.98Å; N1062-N1097 PolarHBondContact N-O 3.04Å; N1062-N1097 PolarHBondContact OD1-N 3.12Å
1063	S	80	Confident	80.8	Confident	108 Å²	108	67.6 Å²	67.6	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-2.7	-174.4	-37.5	0	0	0	0	117.3	Q1061	Q1061-S1063 PolarHBondContact O-N 2.77Å; Q1061-S1063 VanDerWaalsContact O-N 3.15Å
1064	T	83.7	Confident	82.2	Confident	100 Å²	100	65.1 Å²	65.1	61%	0.613	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.2	173.9	-53.3	0	0	0	0	110.1	Y1060 Q1061 N1062 I1066	Y1060-T1064 CarbonylContact C-O 3.54Å; Y1060-T1064 WeakPolarHBondContact CA-O 3.48Å; Y1060-T1064 WeakPolarHBondContact CB-O 3.25Å; Q1061-T1064 PolarHBondContact N-O 3.4Å; Q1061-T1064 WeakPolarHBondContact O-CB 3.25Å; Q1061-T1064 PolarHBondContact O-N 3.42Å; N1062-T1064 VanDerWaalsContact C-N 3.33Å; N1062-T1064 PolarHBondContact O-N 2.98Å; T1064-I1066 PolarHBondContact O-N 3.43Å
1065	L	86.8	Confident	83	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.3	176.6	179.3	69.5	0	0	0	110.3	N1058 Y1060 E1067	N1058-L1065 HydrophobicContact CB-CD1 3.9Å; Y1060-L1065 HydrophobicContact CD1-CB 4.01Å; Y1060-L1065 HydrophobicContact CD1-CD1 4.35Å; Y1060-L1065 HydrophobicContact CD2-CD1 4.37Å; Y1060-L1065 HydrophobicContact CE1-CB 3.75Å; Y1060-L1065 HydrophobicContact CE1-CD1 3.87Å; Y1060-L1065 HydrophobicContact CE1-CG 4.4Å; Y1060-L1065 HydrophobicContact CE2-CD1 3.88Å; L1065-E1067 HydrophobicContact CD2-CG 4.49Å
1066	I	86.5	Confident	83.5	Confident	24 Å²	24	64.4 Å²	64.4	12%	0.123	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-89	120.6	173.3	-51.1	175.9	0	0	0	108.3	W1059 Q1061 T1064 C1072 L1083 Y1098	W1059-I1066 HydrophobicContact CB-CB 4.47Å; W1059-I1066 HydrophobicContact CB-CD1 4.1Å; W1059-I1066 WeakPolarHBondContact O-CB 3.48Å; W1059-I1066 PolarHBondContact O-N 3.05Å; Q1061-I1066 HydrophobicContact CB-CD1 3.99Å; Q1061-I1066 HydrophobicContact CB-CG1 4.07Å; T1064-I1066 PolarHBondContact O-N 3.43Å; I1066-C1072 HydrophobicContact CG2-CB 4.4Å; I1066-C1072 VanDerWaalsContact CG2-SG 3.59Å; I1066-L1083 HydrophobicContact CD1-CD1 4.36Å; I1066-L1083 HydrophobicContact CD1-CD2 3.78Å; I1066-L1083 HydrophobicContact CG2-CD1 4.47Å; I1066-Y1098 HydrophobicContact CD1-CD1 3.93Å; I1066-Y1098 HydrophobicContact CD1-CE1 4.1Å
1067	E	82.5	Confident	83.7	Confident	144 Å²	144	64 Å²	64	67%	0.673	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-100	144.2	170.3	-63.2	-168	160.4	0	0	110.2	L1065 S1069	L1065-E1067 HydrophobicContact CD2-CG 4.49Å; E1067-S1069 PolarHBondContact O-N 3.22Å
1068	P	81.6	Confident	83.6	Confident	99 Å²	99	69.7 Å²	69.7	64%	0.643	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-66.2	132.6	-179	27.4	-34.5	0	0	0	111.3	M1074	P1068-M1074 HydrophobicContact CB-SD 4.21Å; P1068-M1074 HydrophobicContact CG-SD 4.49Å
1069	S	78.7	Confident	83.3	Confident	57 Å²	57	70 Å²	70	40%	0.399	39%	0.388	S	S	.	.			trans	-139.6	-174.9	-169.9	76.9	0	0	0	0	111.7	E1067 T1071 C1072	E1067-S1069 PolarHBondContact O-N 3.22Å; S1069-T1071 PolarHBondContact O-N 3.21Å; S1069-T1071 PolarHBondContact OG-N 3.19Å; S1069-T1071 PolarHBondContact OG-OG1 3.38Å; S1069-C1072 PolarHBondContact N-O 3.23Å; S1069-C1072 VanDerWaalsContact O-O 3.12Å; S1069-C1072 PolarHBondContact OG-N 2.86Å
1070	S	71.5	Confident	83.1	Confident	110 Å²	110	74.7 Å²	74.7	77%	0.769	41%	0.405	S	S	*	.	S	Bend	trans	-70.8	-13.2	169	50.1	0	0	0	0	114	L1238	S1070-L1238 WeakPolarHBondContact O-CD1 3.47Å
1071	T	74.3	Confident	83.1	Confident	39 Å²	39	72.5 Å²	72.5	24%	0.239	40%	0.397	C	S	.	.	S	Bend	trans	-110.1	-14.9	179.9	46.5	0	0	0	0	113.3	S1069 S1085 T1086	S1069-T1071 PolarHBondContact O-N 3.21Å; S1069-T1071 PolarHBondContact OG-N 3.19Å; S1069-T1071 PolarHBondContact OG-OG1 3.38Å; T1071-S1085 WeakPolarHBondContact O-CA 3.01Å; T1071-T1086 VanDerWaalsContact CB-OG1 3.31Å; T1071-T1086 WeakPolarHBondContact CB-OG1 3.49Å; T1071-T1086 WeakPolarHBondContact CG2-OG1 3.2Å; T1071-T1086 PolarHBondContact O-N 3.46Å
1072	C	83	Confident	83.2	Confident	6 Å²	6	71 Å²	71	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124	-179.8	-174	0	0	0	0	112.8	I1066 S1069 L1083 R1084	I1066-C1072 HydrophobicContact CG2-CB 4.4Å; I1066-C1072 VanDerWaalsContact CG2-SG 3.59Å; S1069-C1072 PolarHBondContact N-O 3.23Å; S1069-C1072 VanDerWaalsContact O-O 3.12Å; S1069-C1072 PolarHBondContact OG-N 2.86Å; C1072-L1083 VanDerWaalsContact SG-CD1 3.51Å; C1072-R1084 CarbonylContact C-O 3.51Å; C1072-R1084 VanDerWaalsContact CA-O 3.23Å; C1072-R1084 WeakPolarHBondContact CA-O 3.5Å; C1072-R1084 PolarHBondContact SG-O 2.95Å
1073	E	85.1	Confident	83.5	Confident	67 Å²	67	67.6 Å²	67.6	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.1	178.9	-169.5	178.9	-134.5	0	0	110.8	L1075 R1084 L1238	E1073-L1075 HydrophobicContact CG-CD2 3.88Å; E1073-L1075 HydrophobicContact CG-CG 3.99Å; E1073-R1084 HydrophobicContact CB-CB 4.33Å; E1073-R1084 PolarHBondContact N-O 3.13Å; E1073-R1084 PolarHBondContact O-N 3.34Å; E1073-L1238 HydrophobicContact CB-CD1 3.97Å; E1073-L1238 HydrophobicContact CB-CD2 3.86Å; E1073-L1238 HydrophobicContact CB-CG 4.44Å
1074	M	86.7	Confident	83.9	Confident	62 Å²	62	65.8 Å²	65.8	31%	0.305	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	102.6	-176.3	-57.5	171.6	80.9	0	0	108.8	W1059 P1068 L1083	W1059-M1074 HydrophobicContact CB-CE 3.93Å; W1059-M1074 HydrophobicContact CG-CE 4.06Å; P1068-M1074 HydrophobicContact CB-SD 4.21Å; P1068-M1074 HydrophobicContact CG-SD 4.49Å; M1074-L1083 HydrophobicContact CG-CD1 3.9Å
1075	L	85.1	Confident	83.9	Confident	51 Å²	51	61.6 Å²	61.6	27%	0.267	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.1	-174.1	-60.7	175.4	0	0	0	111.4	E1073 F1081 I1082	E1073-L1075 HydrophobicContact CG-CD2 3.88Å; E1073-L1075 HydrophobicContact CG-CG 3.99Å; L1075-F1081 WeakPolarHBondContact O-CA 3.07Å; L1075-I1082 HydrophobicContact CB-CB 4.31Å; L1075-I1082 PolarHBondContact N-O 3.41Å; L1075-I1082 PolarHBondContact O-N 2.97Å
1076	K	83.8	Confident	83.6	Confident	89 Å²	89	58.1 Å²	58.1	39%	0.387	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.2	163.6	-171.5	-175.7	-177	175.2	0	109.3	E1041 I1055 N1078 R1080 F1081	E1041-K1076 WeakPolarHBondContact OE1-CE 3.38Å; E1041-K1076 IonicContact OE1-NZ 2.62Å; E1041-K1076 PolarHBondContact OE1-NZ 3.24Å; I1055-K1076 PolarHBondContact O-NZ 3.33Å; K1076-N1078 WeakPolarHBondContact CE-O 3.5Å; K1076-R1080 CarbonylContact C-O 3.51Å; K1076-R1080 WeakPolarHBondContact CA-O 3.35Å; K1076-F1081 HydrophobicContact CB-CD1 4.16Å; K1076-F1081 HydrophobicContact CB-CE1 4.16Å; K1076-F1081 HydrophobicContact CD-CD1 4.33Å; K1076-F1081 HydrophobicContact CD-CE1 3.56Å; K1076-F1081 HydrophobicContact CD-CE2 4.25Å; K1076-F1081 HydrophobicContact CD-CZ 3.53Å; K1076-F1081 HydrophobicContact CG-CD1 4.04Å; K1076-F1081 HydrophobicContact CG-CE1 3.78Å; K1076-F1081 HydrophobicContact CG-CE2 4.37Å; K1076-F1081 HydrophobicContact CG-CG 4.49Å; K1076-F1081 HydrophobicContact CG-CZ 3.97Å
1077	I	83.3	Confident	83.4	Confident	90 Å²	90	57 Å²	57	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	104.5	176.1	-56.3	-178.9	0	0	0	107.3	D1079 R1080 I1082	I1077-D1079 PolarHBondContact O-N 2.79Å; I1077-R1080 PolarHBondContact N-O 2.8Å; I1077-R1080 WeakPolarHBondContact O-CB 3.29Å; I1077-R1080 PolarHBondContact O-N 3.1Å; I1077-I1082 HydrophobicContact CD1-CD1 3.95Å; I1077-I1082 HydrophobicContact CG1-CD1 4.42Å
1078	N	84	Confident	82.9	Confident	136 Å²	136	51.1 Å²	51.1	73%	0.727	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-119.5	-172.2	-55	-24.1	0	0	0	111.4	K1076 R1080	K1076-N1078 WeakPolarHBondContact CE-O 3.5Å; N1078-R1080 VanDerWaalsContact C-N 3.31Å
1079	D	82.3	Confident	82.4	Confident	43 Å²	43	51.1 Å²	51.1	23%	0.23	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2	178.2	58.4	-12.8	0	0	0	114	K1038 I1039 I1077	K1038-D1079 CarbonylContact C-O 3.58Å; K1038-D1079 WeakPolarHBondContact CA-O 3.39Å; K1038-D1079 VanDerWaalsContact CD-OD2 3.27Å; K1038-D1079 WeakPolarHBondContact CD-OD2 3.38Å; K1038-D1079 WeakPolarHBondContact CE-OD2 3.39Å; K1038-D1079 HydrophobicContact CG-CB 4.4Å; K1038-D1079 IonicContact NZ-OD2 3.61Å; K1038-D1079 PolarHBondContact NZ-OD2 2.95Å; I1039-D1079 PolarHBondContact N-O 2.58Å; I1077-D1079 PolarHBondContact O-N 2.79Å
1080	R	87	Confident	82.4	Confident	100 Å²	100	48.6 Å²	48.6	38%	0.377	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.6	-177.4	-51.2	-170.6	-172.2	-166.5	3.4	112.3	I1021 Q1036 K1038 K1076 I1077 N1078 I1082	I1021-R1080 HydrophobicContact CD1-CG 4.36Å; Q1036-R1080 VanDerWaalsContact OE1-NH1 3.12Å; K1038-R1080 HydrophobicContact CB-CG 4.45Å; K1076-R1080 CarbonylContact C-O 3.51Å; K1076-R1080 WeakPolarHBondContact CA-O 3.35Å; I1077-R1080 PolarHBondContact N-O 2.8Å; I1077-R1080 WeakPolarHBondContact O-CB 3.29Å; I1077-R1080 PolarHBondContact O-N 3.1Å; N1078-R1080 VanDerWaalsContact C-N 3.31Å; R1080-I1082 HydrophobicContact CB-CG1 4.46Å
1081	F	88.6	Confident	82.6	Confident	11 Å²	11	47 Å²	47	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.9	167.3	-65.1	-97	0	0	0	108.3	V1037 I1039 I1055 V1057 L1075 K1076	V1037-F1081 PolarHBondContact N-O 2.7Å; V1037-F1081 PolarHBondContact O-N 3.14Å; I1039-F1081 HydrophobicContact CB-CD2 4.28Å; I1039-F1081 HydrophobicContact CB-CE2 4.09Å; I1039-F1081 HydrophobicContact CD1-CD2 3.57Å; I1039-F1081 HydrophobicContact CD1-CE2 3.66Å; I1039-F1081 HydrophobicContact CD1-CG 4.4Å; I1039-F1081 HydrophobicContact CG1-CD2 3.84Å; I1039-F1081 HydrophobicContact CG1-CE2 4.06Å; I1055-F1081 HydrophobicContact CB-CZ 4.43Å; I1055-F1081 HydrophobicContact CG2-CE2 4.41Å; I1055-F1081 HydrophobicContact CG2-CZ 3.92Å; I1055-F1081 WeakPolarHBondContact O-CZ 3.21Å; V1057-F1081 HydrophobicContact CB-CD1 4.4Å; V1057-F1081 HydrophobicContact CG1-CD1 4.13Å; V1057-F1081 HydrophobicContact CG1-CD2 4.44Å; V1057-F1081 HydrophobicContact CG1-CE1 4.11Å; V1057-F1081 HydrophobicContact CG1-CE2 4.47Å; V1057-F1081 HydrophobicContact CG1-CG 4.26Å; V1057-F1081 HydrophobicContact CG1-CZ 4.28Å; V1057-F1081 HydrophobicContact CG2-CB 4.07Å; V1057-F1081 HydrophobicContact CG2-CD1 3.43Å; V1057-F1081 VanDerWaalsContact CG2-CD1 3.43Å; V1057-F1081 HydrophobicContact CG2-CE1 4.01Å; V1057-F1081 HydrophobicContact CG2-CG 3.87Å; L1075-F1081 WeakPolarHBondContact O-CA 3.07Å; K1076-F1081 HydrophobicContact CB-CD1 4.16Å; K1076-F1081 HydrophobicContact CB-CE1 4.16Å; K1076-F1081 HydrophobicContact CD-CD1 4.33Å; K1076-F1081 HydrophobicContact CD-CE1 3.56Å; K1076-F1081 HydrophobicContact CD-CE2 4.25Å; K1076-F1081 HydrophobicContact CD-CZ 3.53Å; K1076-F1081 HydrophobicContact CG-CD1 4.04Å; K1076-F1081 HydrophobicContact CG-CE1 3.78Å; K1076-F1081 HydrophobicContact CG-CE2 4.37Å; K1076-F1081 HydrophobicContact CG-CG 4.49Å; K1076-F1081 HydrophobicContact CG-CZ 3.97Å
1082	I	89.5	Confident	82.8	Confident	8 Å²	8	46 Å²	46	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.9	-172.1	-49.7	-175.6	0	0	0	108.4	E1034 I1035 Q1036 L1075 I1077 R1080 R1084	E1034-I1082 HydrophobicContact CG-CG2 3.51Å; I1035-I1082 WeakPolarHBondContact O-CA 3.14Å; Q1036-I1082 HydrophobicContact CG-CD1 4.12Å; Q1036-I1082 HydrophobicContact CG-CG1 3.95Å; Q1036-I1082 HydrophobicContact CG-CG2 4.08Å; L1075-I1082 HydrophobicContact CB-CB 4.31Å; L1075-I1082 PolarHBondContact N-O 3.41Å; L1075-I1082 PolarHBondContact O-N 2.97Å; I1077-I1082 HydrophobicContact CD1-CD1 3.95Å; I1077-I1082 HydrophobicContact CG1-CD1 4.42Å; R1080-I1082 HydrophobicContact CB-CG1 4.46Å; I1082-R1084 HydrophobicContact CG2-CG 4.34Å
1083	L	89.8	Confident	82.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	170.6	-178.9	70.9	0	0	0	108.5	E1034 I1035 W1059 I1066 C1072 M1074 Y1098	E1034-L1083 CarbonylContact C-O 3.42Å; E1034-L1083 WeakPolarHBondContact CA-O 3.49Å; I1035-L1083 HydrophobicContact CB-CB 4.43Å; I1035-L1083 HydrophobicContact CD1-CD2 4.48Å; I1035-L1083 PolarHBondContact N-O 3.34Å; I1035-L1083 PolarHBondContact O-N 3.21Å; W1059-L1083 HydrophobicContact CB-CD1 4.27Å; W1059-L1083 HydrophobicContact CB-CD2 4.33Å; W1059-L1083 HydrophobicContact CD2-CB 3.94Å; W1059-L1083 HydrophobicContact CD2-CD1 4.5Å; W1059-L1083 HydrophobicContact CD2-CD2 3.97Å; W1059-L1083 HydrophobicContact CD2-CG 4.37Å; W1059-L1083 HydrophobicContact CE3-CB 4.12Å; W1059-L1083 HydrophobicContact CE3-CD2 3.65Å; W1059-L1083 HydrophobicContact CE3-CG 4.44Å; W1059-L1083 HydrophobicContact CG-CB 4.47Å; W1059-L1083 HydrophobicContact CG-CD1 4.22Å; W1059-L1083 HydrophobicContact CG-CD2 4.3Å; W1059-L1083 HydrophobicContact CH2-CB 4.21Å; W1059-L1083 HydrophobicContact CZ2-CB 4.07Å; W1059-L1083 HydrophobicContact CZ3-CB 4.25Å; W1059-L1083 HydrophobicContact CZ3-CD2 4.19Å; I1066-L1083 HydrophobicContact CD1-CD1 4.36Å; I1066-L1083 HydrophobicContact CD1-CD2 3.78Å; I1066-L1083 HydrophobicContact CG2-CD1 4.47Å; C1072-L1083 VanDerWaalsContact SG-CD1 3.51Å; M1074-L1083 HydrophobicContact CG-CD1 3.9Å; L1083-Y1098 HydrophobicContact CD2-CD1 3.77Å; L1083-Y1098 HydrophobicContact CD2-CE1 4.28Å
1084	R	87.8	Confident	82.1	Confident	71 Å²	71	53.9 Å²	53.9	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.4	170.4	-76.4	178.5	170	171.1	-3.7	110.2	L1033 E1034 C1072 E1073 I1082 L1238	L1033-R1084 CarbonylContact O-C 3.56Å; L1033-R1084 VanDerWaalsContact O-CA 3.26Å; L1033-R1084 WeakPolarHBondContact O-CA 3.35Å; E1034-R1084 HydrophobicContact CB-CG 4.22Å; E1034-R1084 HydrophobicContact CG-CG 3.95Å; E1034-R1084 IonicContact OE2-CZ 2.65Å; E1034-R1084 IonicContact OE2-NE 2.97Å; E1034-R1084 PolarHBondContact OE2-NE 3.37Å; E1034-R1084 IonicContact OE2-NH2 2.84Å; E1034-R1084 PolarHBondContact OE2-NH2 3.14Å; C1072-R1084 CarbonylContact C-O 3.51Å; C1072-R1084 VanDerWaalsContact CA-O 3.23Å; C1072-R1084 WeakPolarHBondContact CA-O 3.5Å; C1072-R1084 PolarHBondContact SG-O 2.95Å; E1073-R1084 HydrophobicContact CB-CB 4.33Å; E1073-R1084 PolarHBondContact N-O 3.13Å; E1073-R1084 PolarHBondContact O-N 3.34Å; I1082-R1084 HydrophobicContact CG2-CG 4.34Å; R1084-L1238 HydrophobicContact CB-CD2 4.02Å
1085	S	84.5	Confident	81.8	Confident	11 Å²	11	55.8 Å²	55.8	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	140.3	178	-164.8	0	0	0	0	112.3	L1032 L1033 T1071	L1032-S1085 WeakPolarHBondContact CD1-O 3.49Å; L1033-S1085 WeakPolarHBondContact CB-O 3.44Å; L1033-S1085 PolarHBondContact N-O 3.05Å; L1033-S1085 PolarHBondContact O-N 3.26Å; T1071-S1085 WeakPolarHBondContact O-CA 3.01Å
1086	T	81	Confident	81.9	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.5	172.4	58.6	0	0	0	0	110.6	L1032 T1071 N1088 H1089 Q1236	L1032-T1086 HydrophobicContact CD1-CG2 4.11Å; T1071-T1086 VanDerWaalsContact CB-OG1 3.31Å; T1071-T1086 WeakPolarHBondContact CB-OG1 3.49Å; T1071-T1086 WeakPolarHBondContact CG2-OG1 3.2Å; T1071-T1086 PolarHBondContact O-N 3.46Å; T1086-N1088 VanDerWaalsContact C-N 3.27Å; T1086-N1088 PolarHBondContact O-N 3.47Å; T1086-H1089 PolarHBondContact O-CE1 3.22Å; T1086-H1089 PolarHBondContact O-ND1 2.84Å; T1086-Q1236 HydrophobicContact CG2-CB 3.82Å
1087	T	81.3	Confident	82.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-78.9	-4.5	-173.9	53.5	0	0	0	0	114.7	G1030 K1031 L1033 H1089 L1090 F1122 Q1236	G1030-T1087 PolarHBondContact N-OG1 2.93Å; K1031-T1087 WeakPolarHBondContact O-CG2 3.36Å; K1031-T1087 PolarHBondContact O-OG1 2.89Å; L1033-T1087 HydrophobicContact CB-CG2 3.96Å; T1087-H1089 PolarHBondContact O-N 2.83Å; T1087-L1090 HydrophobicContact CG2-CD1 4.03Å; T1087-L1090 WeakPolarHBondContact O-CB 3.27Å; T1087-L1090 PolarHBondContact O-N 2.99Å; T1087-F1122 HydrophobicContact CG2-CD1 3.84Å; T1087-F1122 HydrophobicContact CG2-CE1 3.46Å; T1087-F1122 VanDerWaalsContact CG2-CE1 3.46Å; T1087-F1122 HydrophobicContact CG2-CZ 4.42Å; T1087-Q1236 PolarHBondContact OG1-NE2 2.86Å
1088	N	71.8	Confident	82.4	Confident	20 Å²	20	49.3 Å²	49.3	11%	0.107	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-49	-26.6	-177.2	-68.8	-9.9	0	0	0	117	T1086 D1175 V1177 Q1236	T1086-N1088 VanDerWaalsContact C-N 3.27Å; T1086-N1088 PolarHBondContact O-N 3.47Å; N1088-D1175 HydrophobicContact CB-CB 4.19Å; N1088-D1175 VanDerWaalsContact ND2-CB 3.25Å; N1088-D1175 WeakPolarHBondContact ND2-CB 3.45Å; N1088-D1175 PolarHBondContact ND2-O 2.73Å; N1088-V1177 HydrophobicContact CB-CG2 3.85Å; N1088-V1177 WeakPolarHBondContact OD1-CG2 3.24Å; N1088-Q1236 VanDerWaalsContact OD1-CD 3.28Å; N1088-Q1236 WeakPolarHBondContact OD1-CG 3.32Å; N1088-Q1236 PolarHBondContact OD1-NE2 3.2Å
1089	H	70.5	Confident	82.6	Confident	100 Å²	100	43.9 Å²	43.9	46%	0.463	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-100.8	3	-174.8	66	-84.5	0	0	0	113.3	T1086 T1087	T1086-H1089 PolarHBondContact O-CE1 3.22Å; T1086-H1089 PolarHBondContact O-ND1 2.84Å; T1087-H1089 PolarHBondContact O-N 2.83Å
1090	L	79.6	Confident	83	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-94.2	154.7	-179.5	-52.8	178.5	0	0	0	110	Q1061 T1087 Y1096 F1122	Q1061-L1090 VanDerWaalsContact NE2-CD2 3.25Å; T1087-L1090 HydrophobicContact CG2-CD1 4.03Å; T1087-L1090 WeakPolarHBondContact O-CB 3.27Å; T1087-L1090 PolarHBondContact O-N 2.99Å; L1090-Y1096 HydrophobicContact CB-CE2 4.1Å; L1090-Y1096 HydrophobicContact CD2-CD1 4.2Å; L1090-Y1096 HydrophobicContact CD2-CE1 3.84Å; L1090-Y1096 HydrophobicContact CD2-CE2 4.2Å; L1090-F1122 HydrophobicContact CD1-CD1 3.96Å; L1090-F1122 HydrophobicContact CD1-CD2 3.8Å; L1090-F1122 HydrophobicContact CD1-CE1 3.69Å; L1090-F1122 HydrophobicContact CD1-CE2 3.54Å; L1090-F1122 HydrophobicContact CD1-CG 4.02Å; L1090-F1122 HydrophobicContact CD1-CZ 3.47Å; L1090-F1122 VanDerWaalsContact CD1-CZ 3.47Å
1091	Q	76	Confident	83	Confident	78 Å²	78	39.1 Å²	39.1	36%	0.364	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-101.7	144.7	175.2	-66.1	-170.5	-53.9	0	0	110.3	K1094 Y1096	Q1091-K1094 HydrophobicContact CB-CD 4.15Å; Q1091-Y1096 PolarHBondContact N-OH 2.98Å
1092	P	77.6	Confident	82.8	Confident	18 Å²	18	38.8 Å²	38.8	12%	0.117	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	158	176.1	28	-33.8	0	0	0	111.1	I1029 K1094 F1122 L1192	I1029-P1092 HydrophobicContact CD1-CB 3.84Å; I1029-P1092 HydrophobicContact CD1-CG 4.25Å; P1092-K1094 PolarHBondContact O-N 2.89Å; P1092-K1094 VanDerWaalsContact O-N 3.11Å; P1092-F1122 CarbonylContact C-O 3.53Å; P1092-F1122 WeakPolarHBondContact CA-O 3.26Å; P1092-L1192 HydrophobicContact CG-CD2 4.07Å
1093	D	75.4	Confident	82.3	Confident	133 Å²	133	44.9 Å²	44.9	71%	0.711	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.6	174	-43	-41.9	0	0	0	113.3	F1122	D1093-F1122 PolarHBondContact N-O 3.44Å
1094	K	77.5	Confident	81.6	Confident	105 Å²	105	46.6 Å²	46.6	46%	0.457	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.7	174.4	-68.3	-168.6	-177.1	176.7	0	111.9	Q1091 P1092 Y1096	Q1091-K1094 HydrophobicContact CB-CD 4.15Å; P1092-K1094 PolarHBondContact O-N 2.89Å; P1092-K1094 VanDerWaalsContact O-N 3.11Å; K1094-Y1096 HydrophobicContact CB-CD2 4.49Å; K1094-Y1096 HydrophobicContact CB-CE2 3.85Å; K1094-Y1096 WeakPolarHBondContact O-CD2 2.96Å
1095	L	82.3	Confident	80.7	Confident	102 Å²	102	44.8 Å²	44.8	53%	0.534	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.4	173.9	-160.8	73.5	0	0	0	110.5	P1119	L1095-P1119 HydrophobicContact CD1-CB 4.14Å; L1095-P1119 HydrophobicContact CD2-CB 4.03Å; L1095-P1119 HydrophobicContact CG-CB 4.2Å
1096	Y	85.5	Confident	79.8	Confident	30 Å²	30	53.9 Å²	53.9	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.5	174.3	-65.8	-97	0	0	0	109.9	Q1061 L1090 Q1091 K1094 Y1098 V1120 F1122	Q1061-Y1096 HydrophobicContact CG-CD1 4.16Å; L1090-Y1096 HydrophobicContact CB-CE2 4.1Å; L1090-Y1096 HydrophobicContact CD2-CD1 4.2Å; L1090-Y1096 HydrophobicContact CD2-CE1 3.84Å; L1090-Y1096 HydrophobicContact CD2-CE2 4.2Å; Q1091-Y1096 PolarHBondContact N-OH 2.98Å; K1094-Y1096 HydrophobicContact CB-CD2 4.49Å; K1094-Y1096 HydrophobicContact CB-CE2 3.85Å; K1094-Y1096 WeakPolarHBondContact O-CD2 2.96Å; Y1096-Y1098 WeakPolarHBondContact O-CD2 3.17Å; Y1096-V1120 PolarHBondContact N-O 3.22Å; Y1096-V1120 PolarHBondContact O-N 2.91Å; Y1096-F1122 AromaticContact CD2-CD2 3.69Å; Y1096-F1122 HydrophobicContact CD2-CD2 3.69Å; Y1096-F1122 AromaticContact CD2-CE2 3.84Å; Y1096-F1122 HydrophobicContact CD2-CE2 3.84Å; Y1096-F1122 HydrophobicContact CE2-CD2 4.15Å; Y1096-F1122 HydrophobicContact CG-CE2 4.38Å
1097	N	89.1	Confident	78.9	Confident	62 Å²	62	61.5 Å²	61.5	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.9	179.5	-69.5	-35	0	0	0	109.8	Q1061 N1062 T1117 P1119	Q1061-N1097 WeakPolarHBondContact CA-O 3.47Å; N1062-N1097 PolarHBondContact N-O 3.04Å; N1062-N1097 PolarHBondContact OD1-N 3.12Å; N1097-T1117 HydrophobicContact CB-CG2 3.85Å; N1097-P1119 WeakPolarHBondContact OD1-CB 2.78Å
1098	Y	89.8	Confident	77.8	Confident	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.9	176.8	-69.3	-86.7	0	0	0	110.4	L1033 I1035 Y1060 Q1061 I1066 L1083 Y1096 I1118 V1120 F1122	L1033-Y1098 HydrophobicContact CD2-CD2 4.49Å; L1033-Y1098 HydrophobicContact CD2-CE1 3.97Å; L1033-Y1098 HydrophobicContact CD2-CE2 3.78Å; L1033-Y1098 VanDerWaalsContact CD2-CZ 3.48Å; L1033-Y1098 WeakPolarHBondContact CD2-OH 3.32Å; I1035-Y1098 HydrophobicContact CD1-CD1 4.15Å; I1035-Y1098 HydrophobicContact CD1-CD2 3.68Å; I1035-Y1098 HydrophobicContact CD1-CE2 4.4Å; I1035-Y1098 HydrophobicContact CD1-CG 3.52Å; Y1060-Y1098 CarbonylContact O-C 3.05Å; Y1060-Y1098 VanDerWaalsContact O-CA 3.28Å; Y1060-Y1098 WeakPolarHBondContact O-CA 3.25Å; Q1061-Y1098 HydrophobicContact CB-CD1 4.22Å; Q1061-Y1098 HydrophobicContact CB-CE1 4Å; Q1061-Y1098 HydrophobicContact CG-CD1 4.31Å; Q1061-Y1098 HydrophobicContact CG-CE1 3.76Å; Q1061-Y1098 PolarHBondContact NE2-OH 3.17Å; I1066-Y1098 HydrophobicContact CD1-CD1 3.93Å; I1066-Y1098 HydrophobicContact CD1-CE1 4.1Å; L1083-Y1098 HydrophobicContact CD2-CD1 3.77Å; L1083-Y1098 HydrophobicContact CD2-CE1 4.28Å; Y1096-Y1098 WeakPolarHBondContact O-CD2 3.17Å; Y1098-I1118 PolarHBondContact N-O 3.07Å; Y1098-I1118 PolarHBondContact O-N 3.15Å; Y1098-V1120 HydrophobicContact CD2-CB 4.11Å; Y1098-V1120 HydrophobicContact CD2-CG2 3.82Å; Y1098-V1120 HydrophobicContact CE2-CB 4.12Å; Y1098-V1120 HydrophobicContact CE2-CG2 4.26Å; Y1098-F1122 HydrophobicContact CE2-CE2 4.33Å; Y1098-F1122 HydrophobicContact CE2-CZ 4.33Å
1099	T	88.5	Confident	77.1	Confident	23 Å²	23	67.7 Å²	67.7	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.6	-178.4	-53	0	0	0	0	111.3	W1059 Y1060 I1101 I1116 T1117	W1059-T1099 CarbonylContact C-O 3.56Å; W1059-T1099 WeakPolarHBondContact CA-O 2.9Å; Y1060-T1099 PolarHBondContact N-O 3.13Å; Y1060-T1099 PolarHBondContact O-N 3.17Å; T1099-I1101 HydrophobicContact CG2-CD1 4.13Å; T1099-I1101 HydrophobicContact CG2-CG1 3.75Å; T1099-I1116 CarbonylContact C-O 3.44Å; T1099-I1116 VanDerWaalsContact CA-O 3.29Å; T1099-I1116 WeakPolarHBondContact CA-O 3.29Å; T1099-T1117 WeakPolarHBondContact CG2-OG1 3.25Å; T1099-T1117 PolarHBondContact OG1-OG1 2.82Å
1100	C	88.9	Confident	76.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.8	170.1	-177.8	0	0	0	0	109.2	W1059 S1115 I1116	W1059-C1100 HydrophobicContact CD2-CB 3.87Å; W1059-C1100 HydrophobicContact CE3-CB 3.84Å; W1059-C1100 HydrophobicContact CH2-CB 3.91Å; W1059-C1100 HydrophobicContact CZ2-CB 3.9Å; W1059-C1100 HydrophobicContact CZ3-CB 3.86Å; C1100-S1115 CarbonylContact O-C 3.48Å; C1100-S1115 WeakPolarHBondContact O-CA 3.16Å; C1100-S1115 WeakPolarHBondContact O-CB 3.15Å; C1100-I1116 HydrophobicContact CB-CG2 3.95Å; C1100-I1116 PolarHBondContact N-O 2.82Å; C1100-I1116 PolarHBondContact O-N 2.91Å
1101	I	87.2	Confident	75.2	Confident	43 Å²	43	68.8 Å²	68.8	22%	0.221	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.3	-177	-50.3	-168.4	0	0	0	109.6	V1057 N1058 Y1060 T1099 R1103 A1113	V1057-I1101 CarbonylContact C-O 3.56Å; V1057-I1101 VanDerWaalsContact CA-O 3.23Å; V1057-I1101 WeakPolarHBondContact CA-O 3.5Å; V1057-I1101 WeakPolarHBondContact CB-O 3.48Å; N1058-I1101 PolarHBondContact N-O 3.07Å; N1058-I1101 PolarHBondContact O-N 2.91Å; Y1060-I1101 HydrophobicContact CD2-CD1 3.66Å; Y1060-I1101 HydrophobicContact CD2-CG1 3.87Å; Y1060-I1101 HydrophobicContact CE2-CB 4.26Å; Y1060-I1101 HydrophobicContact CE2-CD1 3.5Å; Y1060-I1101 HydrophobicContact CE2-CG1 3.88Å; T1099-I1101 HydrophobicContact CG2-CD1 4.13Å; T1099-I1101 HydrophobicContact CG2-CG1 3.75Å; I1101-R1103 PolarHBondContact O-N 2.94Å; I1101-A1113 HydrophobicContact CG2-CB 3.73Å
1102	L	84.3	Confident	74.8	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.5	175.1	-166.8	75.3	0	0	0	110.6	F1018 V1044 I1055 V1057 L1104 P1114	F1018-L1102 HydrophobicContact CZ-CB 4.11Å; V1044-L1102 HydrophobicContact CG1-CD1 4.14Å; V1044-L1102 HydrophobicContact CG1-CD2 4.02Å; V1044-L1102 HydrophobicContact CG2-CD1 4.2Å; V1044-L1102 HydrophobicContact CG2-CD2 4.29Å; I1055-L1102 HydrophobicContact CG2-CD1 3.72Å; V1057-L1102 HydrophobicContact CG1-CD1 4.5Å; L1102-L1104 HydrophobicContact CD2-CD2 4.01Å; L1102-L1104 PolarHBondContact O-N 2.96Å; L1102-P1114 HydrophobicContact CB-CG 3.86Å; L1102-P1114 HydrophobicContact CD2-CG 3.77Å; L1102-P1114 HydrophobicContact CG-CG 4.48Å; L1102-P1114 PolarHBondContact N-O 3.25Å
1103	R	80.2	Confident	74.8	Confident	137 Å²	137	70.2 Å²	70.2	52%	0.517	38%	0.382	S	S	.	.			trans	-81.5	105.7	176	-166.2	-175.5	-160.7	153.9	14.8	109.8	Q1056 I1101	Q1056-R1103 HydrophobicContact CB-CB 3.92Å; Q1056-R1103 WeakPolarHBondContact O-CB 3.21Å; Q1056-R1103 PolarHBondContact O-N 3.3Å; Q1056-R1103 VanDerWaalsContact OE1-CD 3.25Å; I1101-R1103 PolarHBondContact O-N 2.94Å
1104	L	74.7	Confident	75.1	Confident	35 Å²	35	65 Å²	65	18%	0.183	36%	0.356	C	S	.	.			trans	-84.5	148.9	177.7	-65.6	167.7	0	0	0	111.7	M1048 L1102 M1110 A1113	M1048-L1104 HydrophobicContact CG-CD2 4.19Å; M1048-L1104 HydrophobicContact SD-CD2 4.14Å; L1102-L1104 HydrophobicContact CD2-CD2 4.01Å; L1102-L1104 PolarHBondContact O-N 2.96Å; L1104-M1110 HydrophobicContact CD1-CB 3.5Å; L1104-M1110 VanDerWaalsContact CD1-CB 3.5Å; L1104-M1110 VanDerWaalsContact CD1-O 3.23Å; L1104-M1110 WeakPolarHBondContact CD1-O 3.5Å; L1104-M1110 HydrophobicContact CD2-CB 4.29Å; L1104-M1110 HydrophobicContact CD2-CE 4.35Å; L1104-M1110 HydrophobicContact CD2-SD 3.93Å; L1104-A1113 HydrophobicContact CD1-CB 3.63Å; L1104-A1113 HydrophobicContact CG-CB 4.24Å
1105	P	69.8	Low	75.4	Confident	34 Å²	34	63 Å²	63	22%	0.221	36%	0.355	C	S	.	.			trans	-70.4	152.9	173.9	28.4	-33.6	0	0	0	111.8	N1107 S1108	P1105-N1107 PolarHBondContact O-N 3.04Å; P1105-S1108 WeakPolarHBondContact O-CB 3.2Å; P1105-S1108 PolarHBondContact O-N 2.93Å; P1105-S1108 PolarHBondContact O-OG 2.83Å
1106	E	64.9	Low	75.6	Confident	201 Å²	201	59.8 Å²	59.8	94%	0.939	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.5	-175.6	-61.6	-177.8	164.4	0	0	114.1
1107	N	61.1	Low	75.7	Confident	162 Å²	162	61.8 Å²	61.8	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.7	178.8	-62.8	-54.4	0	0	0	113.9	P1105	P1105-N1107 PolarHBondContact O-N 3.04Å
1108	S	58.2	Low	75.7	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	34%	0.341	C	S	.	.			trans	-75.2	138.4	-179.6	93.1	0	0	0	0	111.4	P1105 M1110	P1105-S1108 WeakPolarHBondContact O-CB 3.2Å; P1105-S1108 PolarHBondContact O-N 2.93Å; P1105-S1108 PolarHBondContact O-OG 2.83Å; S1108-M1110 PolarHBondContact O-N 2.63Å; S1108-M1110 PolarHBondContact OG-N 2.72Å
1109	S	57.5	Low	75.6	Confident	116 Å²	116	62.1 Å²	62.1	81%	0.811	36%	0.359	S	S	*	.			trans	-87.2	19.5	170	64.2	0	0	0	0	112.8
1110	M	56.3	Low	75.6	Confident	20 Å²	20	61.1 Å²	61.1	10%	0.099	35%	0.352	C	S	.	.			trans	-96.1	104.6	-179.2	-76.1	-178.2	71.5	0	0	109.7	F1012 L1047 L1104 S1108 P1114	F1012-M1110 HydrophobicContact CD1-CE 4.36Å; F1012-M1110 HydrophobicContact CE1-CB 4.33Å; F1012-M1110 HydrophobicContact CE1-CE 3.62Å; F1012-M1110 HydrophobicContact CE1-CG 3.88Å; F1012-M1110 HydrophobicContact CE1-SD 4.48Å; F1012-M1110 HydrophobicContact CZ-CE 4.13Å; F1012-M1110 HydrophobicContact CZ-CG 3.9Å; L1047-M1110 HydrophobicContact CB-CE 4.1Å; L1047-M1110 HydrophobicContact CB-SD 3.99Å; L1047-M1110 HydrophobicContact CD1-CE 4.38Å; L1047-M1110 HydrophobicContact CD2-CE 4.12Å; L1047-M1110 HydrophobicContact CG-CE 4.44Å; L1104-M1110 HydrophobicContact CD1-CB 3.5Å; L1104-M1110 VanDerWaalsContact CD1-CB 3.5Å; L1104-M1110 VanDerWaalsContact CD1-O 3.23Å; L1104-M1110 WeakPolarHBondContact CD1-O 3.5Å; L1104-M1110 HydrophobicContact CD2-CB 4.29Å; L1104-M1110 HydrophobicContact CD2-CE 4.35Å; L1104-M1110 HydrophobicContact CD2-SD 3.93Å; S1108-M1110 PolarHBondContact O-N 2.63Å; S1108-M1110 PolarHBondContact OG-N 2.72Å; M1110-P1114 HydrophobicContact CE-CG 4.17Å
1111	S	54.8	Low	75.4	Confident	107 Å²	107	62.8 Å²	62.8	75%	0.748	36%	0.364	S	S	*	.			trans	-143	123.6	172.6	61.1	0	0	0	0	109.6
1112	P	67.9	Low	75.3	Confident	94 Å²	94	60.8 Å²	60.8	61%	0.61	35%	0.354	S	S	*	.	S	Bend	cis	-68	164.5	-1.2	30.6	-36.5	0	0	0	113.6
1113	A	76.3	Confident	75.3	Confident	31 Å²	31	62.5 Å²	62.5	26%	0.256	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-72.7	145.4	169.1	0	0	0	0	0	110.4	I1101 L1104	I1101-A1113 HydrophobicContact CG2-CB 3.73Å; L1104-A1113 HydrophobicContact CD1-CB 3.63Å; L1104-A1113 HydrophobicContact CG-CB 4.24Å
1114	P	81.5	Confident	75.3	Confident	23 Å²	23	57.5 Å²	57.5	15%	0.149	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-70.1	140.1	176.8	31.5	-35.2	0	0	0	110	F1018 L1102 M1110	F1018-P1114 VanDerWaalsContact CE2-C 3.49Å; F1018-P1114 HydrophobicContact CE2-CB 4.06Å; F1018-P1114 WeakPolarHBondContact CE2-O 3.15Å; F1018-P1114 WeakPolarHBondContact CZ-O 3.25Å; L1102-P1114 HydrophobicContact CB-CG 3.86Å; L1102-P1114 HydrophobicContact CD2-CG 3.77Å; L1102-P1114 HydrophobicContact CG-CG 4.48Å; L1102-P1114 PolarHBondContact N-O 3.25Å; M1110-P1114 HydrophobicContact CE-CG 4.17Å
1115	S	83.8	Confident	75.7	Confident	63 Å²	63	56 Å²	56	44%	0.441	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.8	-172.2	58.6	0	0	0	0	112.8	C1100	C1100-S1115 CarbonylContact O-C 3.48Å; C1100-S1115 WeakPolarHBondContact O-CA 3.16Å; C1100-S1115 WeakPolarHBondContact O-CB 3.15Å
1116	I	87.4	Confident	76.4	Confident	35 Å²	35	57.9 Å²	57.9	18%	0.179	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.2	169.8	-173.2	169.6	0	0	0	110.2	F1018 P1020 V1037 T1099 C1100	F1018-I1116 HydrophobicContact CB-CB 3.91Å; F1018-I1116 HydrophobicContact CB-CD1 4.08Å; F1018-I1116 HydrophobicContact CB-CG2 3.74Å; F1018-I1116 HydrophobicContact CD1-CG2 3.73Å; F1018-I1116 HydrophobicContact CD2-CB 4.38Å; F1018-I1116 HydrophobicContact CD2-CG2 4.43Å; F1018-I1116 HydrophobicContact CE1-CG2 4.39Å; F1018-I1116 HydrophobicContact CG-CB 4.06Å; F1018-I1116 HydrophobicContact CG-CG2 3.74Å; P1020-I1116 HydrophobicContact CB-CD1 4.21Å; P1020-I1116 HydrophobicContact CG-CD1 3.93Å; V1037-I1116 HydrophobicContact CG1-CG2 4.15Å; V1037-I1116 HydrophobicContact CG2-CG2 4.34Å; T1099-I1116 CarbonylContact C-O 3.44Å; T1099-I1116 VanDerWaalsContact CA-O 3.29Å; T1099-I1116 WeakPolarHBondContact CA-O 3.29Å; C1100-I1116 HydrophobicContact CB-CG2 3.95Å; C1100-I1116 PolarHBondContact N-O 2.82Å; C1100-I1116 PolarHBondContact O-N 2.91Å
1117	T	87.8	Confident	76.9	Confident	73 Å²	73	49.2 Å²	49.2	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.3	174.2	-60.5	0	0	0	0	109.9	N1097 T1099	N1097-T1117 HydrophobicContact CB-CG2 3.85Å; T1099-T1117 WeakPolarHBondContact CG2-OG1 3.25Å; T1099-T1117 PolarHBondContact OG1-OG1 2.82Å
1118	I	89	Confident	78	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.2	178.8	-61.9	171	0	0	0	107.7	P1020 L1025 I1035 V1037 Y1098 V1120	P1020-I1118 HydrophobicContact CB-CD1 4.02Å; L1025-I1118 HydrophobicContact CD2-CG2 3.63Å; I1035-I1118 HydrophobicContact CG2-CD1 3.56Å; I1035-I1118 HydrophobicContact CG2-CG2 4.47Å; V1037-I1118 HydrophobicContact CG2-CD1 3.59Å; Y1098-I1118 PolarHBondContact N-O 3.07Å; Y1098-I1118 PolarHBondContact O-N 3.15Å; I1118-V1120 HydrophobicContact CG2-CG2 4.19Å
1119	P	88.4	Confident	79.1	Confident	59 Å²	59	49.5 Å²	49.5	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.9	171.8	31	-33.1	0	0	0	110.1	L1095 N1097	L1095-P1119 HydrophobicContact CD1-CB 4.14Å; L1095-P1119 HydrophobicContact CD2-CB 4.03Å; L1095-P1119 HydrophobicContact CG-CB 4.2Å; N1097-P1119 WeakPolarHBondContact OD1-CB 2.78Å
1120	V	87.1	Confident	80.1	Confident	1 Å²	1	44 Å²	44	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.7	175.3	-174.1	0	0	0	0	109.2	L1025 L1027 L1033 I1035 Y1096 Y1098 I1118 F1122	L1025-V1120 HydrophobicContact CD2-CG2 4.29Å; L1025-V1120 CarbonylContact O-C 3.51Å; L1025-V1120 VanDerWaalsContact O-CA 3.28Å; L1025-V1120 WeakPolarHBondContact O-CA 3.16Å; L1025-V1120 WeakPolarHBondContact O-CG1 2.96Å; L1027-V1120 HydrophobicContact CD1-CG1 4.19Å; L1033-V1120 HydrophobicContact CD1-CG1 4.05Å; I1035-V1120 HydrophobicContact CD1-CG2 3.98Å; Y1096-V1120 PolarHBondContact N-O 3.22Å; Y1096-V1120 PolarHBondContact O-N 2.91Å; Y1098-V1120 HydrophobicContact CD2-CB 4.11Å; Y1098-V1120 HydrophobicContact CD2-CG2 3.82Å; Y1098-V1120 HydrophobicContact CE2-CB 4.12Å; Y1098-V1120 HydrophobicContact CE2-CG2 4.26Å; I1118-V1120 HydrophobicContact CG2-CG2 4.19Å; V1120-F1122 HydrophobicContact CB-CE2 4.08Å; V1120-F1122 HydrophobicContact CB-CZ 4.13Å; V1120-F1122 HydrophobicContact CG1-CE1 4.03Å; V1120-F1122 HydrophobicContact CG1-CE2 3.69Å; V1120-F1122 HydrophobicContact CG1-CZ 3.39Å
1121	S	85.4	Confident	81.1	Confident	36 Å²	36	45.6 Å²	45.6	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	158.5	171.9	54	0	0	0	0	111.3	L1025 D1026 L1027	L1025-S1121 PolarHBondContact O-N 3.32Å; L1025-S1121 PolarHBondContact O-OG 3.3Å; D1026-S1121 WeakPolarHBondContact CA-O 3.29Å; D1026-S1121 WeakPolarHBondContact CA-OG 3.39Å; D1026-S1121 VanDerWaalsContact CB-OG 3.31Å; D1026-S1121 WeakPolarHBondContact CB-OG 3.15Å; D1026-S1121 WeakPolarHBondContact OD1-CB 2.89Å; D1026-S1121 PolarHBondContact OD1-OG 2.77Å; L1027-S1121 PolarHBondContact N-O 2.77Å; L1027-S1121 VanDerWaalsContact N-O 3.14Å
1122	F	85.9	Confident	82.3	Confident	1 Å²	1	44 Å²	44	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.5	175.3	-57.7	-89.7	0	0	0	109.6	L1027 I1029 L1033 T1087 L1090 P1092 D1093 Y1096 Y1098 V1120	L1027-F1122 HydrophobicContact CB-CD1 3.85Å; L1027-F1122 HydrophobicContact CB-CE1 3.93Å; L1027-F1122 HydrophobicContact CD1-CE1 4.08Å; L1027-F1122 WeakPolarHBondContact O-CA 3.32Å; L1027-F1122 WeakPolarHBondContact O-CD1 3.06Å; I1029-F1122 HydrophobicContact CD1-CB 4.37Å; I1029-F1122 HydrophobicContact CG1-CB 3.98Å; L1033-F1122 HydrophobicContact CD1-CE1 4.38Å; L1033-F1122 HydrophobicContact CD1-CZ 4.16Å; L1033-F1122 HydrophobicContact CD2-CZ 4.16Å; T1087-F1122 HydrophobicContact CG2-CD1 3.84Å; T1087-F1122 HydrophobicContact CG2-CE1 3.46Å; T1087-F1122 VanDerWaalsContact CG2-CE1 3.46Å; T1087-F1122 HydrophobicContact CG2-CZ 4.42Å; L1090-F1122 HydrophobicContact CD1-CD1 3.96Å; L1090-F1122 HydrophobicContact CD1-CD2 3.8Å; L1090-F1122 HydrophobicContact CD1-CE1 3.69Å; L1090-F1122 HydrophobicContact CD1-CE2 3.54Å; L1090-F1122 HydrophobicContact CD1-CG 4.02Å; L1090-F1122 HydrophobicContact CD1-CZ 3.47Å; L1090-F1122 VanDerWaalsContact CD1-CZ 3.47Å; P1092-F1122 CarbonylContact C-O 3.53Å; P1092-F1122 WeakPolarHBondContact CA-O 3.26Å; D1093-F1122 PolarHBondContact N-O 3.44Å; Y1096-F1122 AromaticContact CD2-CD2 3.69Å; Y1096-F1122 HydrophobicContact CD2-CD2 3.69Å; Y1096-F1122 AromaticContact CD2-CE2 3.84Å; Y1096-F1122 HydrophobicContact CD2-CE2 3.84Å; Y1096-F1122 HydrophobicContact CE2-CD2 4.15Å; Y1096-F1122 HydrophobicContact CG-CE2 4.38Å; Y1098-F1122 HydrophobicContact CE2-CE2 4.33Å; Y1098-F1122 HydrophobicContact CE2-CZ 4.33Å; V1120-F1122 HydrophobicContact CB-CE2 4.08Å; V1120-F1122 HydrophobicContact CB-CZ 4.13Å; V1120-F1122 HydrophobicContact CG1-CE1 4.03Å; V1120-F1122 HydrophobicContact CG1-CE2 3.69Å; V1120-F1122 HydrophobicContact CG1-CZ 3.39Å
1123	H	84	Confident	82.5	Confident	39 Å²	39	41.4 Å²	41.4	18%	0.181	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	168.8	-177.4	53.4	-104.7	0	0	0	111.8	D1026 L1027 P1028 I1029 E1129	D1026-H1123 IonicContact OD1-CE1 2.63Å; D1026-H1123 IonicContact OD1-ND1 2.73Å; D1026-H1123 PolarHBondContact OD1-ND1 3.16Å; D1026-H1123 IonicContact OD2-CE1 3.75Å; D1026-H1123 PolarHBondContact OD2-CE1 2.69Å; D1026-H1123 VanDerWaalsContact OD2-CE1 3.3Å; D1026-H1123 IonicContact OD2-ND1 3.24Å; D1026-H1123 PolarHBondContact OD2-ND1 2.65Å; L1027-H1123 PolarHBondContact O-N 3.3Å; P1028-H1123 WeakPolarHBondContact CD-NE2 2.92Å; I1029-H1123 PolarHBondContact N-O 2.68Å; I1029-H1123 VanDerWaalsContact N-O 3.07Å; H1123-E1129 IonicContact NE2-OE1 3.62Å
1124	C	80.5	Confident	81.8	Confident	31 Å²	31	41.8 Å²	41.8	21%	0.209	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-69.6	128.3	170.5	-61.7	0	0	0	0	109.6	W1179 L1186	C1124-W1179 HydrophobicContact CB-CH2 3.79Å; C1124-W1179 HydrophobicContact CB-CZ3 4.12Å; C1124-L1186 HydrophobicContact CB-CD2 4.02Å
1125	P	82.8	Confident	81.3	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.026	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.4	135.8	-177	28.3	-32.2	0	0	0	111.3	P1028 L1130 W1179	P1028-P1125 HydrophobicContact CB-CB 3.79Å; P1125-L1130 HydrophobicContact CB-CD2 4.06Å; P1125-L1130 HydrophobicContact CB-CG 4.05Å; P1125-L1130 HydrophobicContact CG-CD1 4.31Å; P1125-L1130 HydrophobicContact CG-CD2 3.83Å; P1125-L1130 HydrophobicContact CG-CG 4.06Å; P1125-W1179 HydrophobicContact CG-CD2 3.97Å; P1125-W1179 VanDerWaalsContact CG-CE2 3.41Å; P1125-W1179 HydrophobicContact CG-CG 4.31Å; P1125-W1179 HydrophobicContact CG-CH2 4.31Å; P1125-W1179 HydrophobicContact CG-CZ2 3.65Å
1126	T	83.1	Confident	80.6	Confident	74 Å²	74	46.5 Å²	46.5	45%	0.454	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.9	149.6	170.9	-41.6	0	0	0	0	109.8	K1128 E1129 L1130	T1126-K1128 HydrophobicContact CG2-CB 4.26Å; T1126-K1128 HydrophobicContact CG2-CG 4.47Å; T1126-K1128 PolarHBondContact O-N 3.46Å; T1126-K1128 VanDerWaalsContact O-N 3.14Å; T1126-E1129 WeakPolarHBondContact CB-OE2 3.49Å; T1126-E1129 PolarHBondContact N-OE2 3.46Å; T1126-E1129 WeakPolarHBondContact O-CA 3.48Å; T1126-E1129 WeakPolarHBondContact O-CB 3.38Å; T1126-E1129 PolarHBondContact O-N 2.92Å; T1126-E1129 PolarHBondContact OG1-OE2 2.91Å; T1126-L1130 PolarHBondContact O-N 3.03Å
1127	V	76.9	Confident	79.1	Confident	18 Å²	18	45.4 Å²	45.4	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-33.1	174.9	-174.8	0	0	0	0	112	E1129 E1131 T1181 D1184 L1186	V1127-E1129 VanDerWaalsContact C-N 3.3Å; V1127-E1129 PolarHBondContact O-N 3.45Å; V1127-E1131 WeakPolarHBondContact O-CB 3.39Å; V1127-E1131 PolarHBondContact O-N 2.6Å; V1127-T1181 HydrophobicContact CG1-CG2 4.37Å; V1127-T1181 HydrophobicContact CG2-CG2 3.61Å; V1127-D1184 VanDerWaalsContact CG2-O 3.31Å; V1127-D1184 WeakPolarHBondContact CG2-O 3.3Å; V1127-L1186 HydrophobicContact CG2-CB 4.49Å
1128	K	83	Confident	77.5	Confident	151 Å²	151	45.8 Å²	45.8	66%	0.657	24%	0.239	S	C	*	.	H	α-helix	trans	-61.5	-33.3	172	-66.2	174.2	-175	164.1	0	113.4	T1126 T1132	T1126-K1128 HydrophobicContact CG2-CB 4.26Å; T1126-K1128 HydrophobicContact CG2-CG 4.47Å; T1126-K1128 PolarHBondContact O-N 3.46Å; T1126-K1128 VanDerWaalsContact O-N 3.14Å; K1128-T1132 WeakPolarHBondContact O-CG2 3.06Å; K1128-T1132 PolarHBondContact O-N 2.76Å; K1128-T1132 PolarHBondContact O-OG1 3.2Å
1129	E	81.6	Confident	75.9	Confident	52 Å²	52	50.8 Å²	50.8	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-81.4	-41.8	-179.2	-63.2	174.4	105	0	0	111.3	P1028 H1123 T1126 V1127 E1131 T1132 E1133	P1028-E1129 WeakPolarHBondContact CG-OE1 3.18Å; H1123-E1129 IonicContact NE2-OE1 3.62Å; T1126-E1129 WeakPolarHBondContact CB-OE2 3.49Å; T1126-E1129 PolarHBondContact N-OE2 3.46Å; T1126-E1129 WeakPolarHBondContact O-CA 3.48Å; T1126-E1129 WeakPolarHBondContact O-CB 3.38Å; T1126-E1129 PolarHBondContact O-N 2.92Å; T1126-E1129 PolarHBondContact OG1-OE2 2.91Å; V1127-E1129 VanDerWaalsContact C-N 3.3Å; V1127-E1129 PolarHBondContact O-N 3.45Å; E1129-E1131 PolarHBondContact O-N 2.65Å; E1129-T1132 WeakPolarHBondContact CA-OG1 3.49Å; E1129-T1132 PolarHBondContact O-N 3.12Å; E1129-T1132 PolarHBondContact O-OG1 3.05Å; E1129-E1133 WeakPolarHBondContact O-CB 3.08Å; E1129-E1133 PolarHBondContact O-N 3.35Å
1130	L	77.9	Confident	74.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-40.4	168.4	-66.4	174.7	0	0	0	110.8	P1125 T1126 F1134 W1179 L1186 W1232 V1234	P1125-L1130 HydrophobicContact CB-CD2 4.06Å; P1125-L1130 HydrophobicContact CB-CG 4.05Å; P1125-L1130 HydrophobicContact CG-CD1 4.31Å; P1125-L1130 HydrophobicContact CG-CD2 3.83Å; P1125-L1130 HydrophobicContact CG-CG 4.06Å; T1126-L1130 PolarHBondContact O-N 3.03Å; L1130-F1134 WeakPolarHBondContact O-CB 3.33Å; L1130-F1134 PolarHBondContact O-N 2.62Å; L1130-W1179 HydrophobicContact CD1-CB 3.98Å; L1130-W1179 HydrophobicContact CD1-CG 4.25Å; L1130-W1179 HydrophobicContact CD2-CG 4.46Å; L1130-L1186 HydrophobicContact CD1-CD1 4.44Å; L1130-W1232 HydrophobicContact CB-CD2 4.03Å; L1130-W1232 HydrophobicContact CB-CE3 4.11Å; L1130-W1232 HydrophobicContact CB-CG 4.39Å; L1130-W1232 HydrophobicContact CD1-CB 4.3Å; L1130-W1232 HydrophobicContact CD1-CD2 4.35Å; L1130-W1232 HydrophobicContact CD1-CG 3.92Å; L1130-W1232 HydrophobicContact CD2-CB 4.5Å; L1130-V1234 HydrophobicContact CD2-CG2 4.14Å
1131	E	78.4	Confident	72.3	Confident	54 Å²	54	59.5 Å²	59.5	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-40.9	174.6	-86.2	-159.2	-174.8	0	0	114.2	V1127 E1129 K1135 K1230 W1232	V1127-E1131 WeakPolarHBondContact O-CB 3.39Å; V1127-E1131 PolarHBondContact O-N 2.6Å; E1129-E1131 PolarHBondContact O-N 2.65Å; E1131-K1135 WeakPolarHBondContact O-CB 3.33Å; E1131-K1135 VanDerWaalsContact O-CD 3.25Å; E1131-K1135 WeakPolarHBondContact O-CD 3.47Å; E1131-K1135 WeakPolarHBondContact O-CG 3.23Å; E1131-K1135 PolarHBondContact O-N 3.46Å; E1131-K1135 IonicContact OE2-NZ 2.98Å; E1131-K1135 PolarHBondContact OE2-NZ 2.69Å; E1131-K1230 IonicContact OE1-NZ 2.83Å; E1131-K1230 PolarHBondContact OE1-NZ 3.5Å; E1131-W1232 HydrophobicContact CG-CH2 3.61Å; E1131-W1232 HydrophobicContact CG-CZ2 4.21Å; E1131-W1232 HydrophobicContact CG-CZ3 4.41Å
1132	T	79.2	Confident	70.4	Confident	73 Å²	73	66.7 Å²	66.7	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-72.5	-39.6	178	52.1	0	0	0	0	111.8	K1128 E1129 K1135 N1136	K1128-T1132 WeakPolarHBondContact O-CG2 3.06Å; K1128-T1132 PolarHBondContact O-N 2.76Å; K1128-T1132 PolarHBondContact O-OG1 3.2Å; E1129-T1132 WeakPolarHBondContact CA-OG1 3.49Å; E1129-T1132 PolarHBondContact O-N 3.12Å; E1129-T1132 PolarHBondContact O-OG1 3.05Å; T1132-K1135 PolarHBondContact O-N 2.61Å; T1132-N1136 WeakPolarHBondContact O-CB 3.21Å; T1132-N1136 PolarHBondContact O-N 2.7Å; T1132-N1136 PolarHBondContact O-ND2 3.04Å
1133	E	72.7	Confident	67.8	Low	39 Å²	39	73.4 Å²	73.4	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-42	171.6	-69.9	-154.1	141.6	0	0	111.5	K1031 E1129 N1136 C1137 V1243	K1031-E1133 WeakPolarHBondContact CA-OE1 3.36Å; K1031-E1133 WeakPolarHBondContact CB-OE1 3.45Å; E1129-E1133 WeakPolarHBondContact O-CB 3.08Å; E1129-E1133 PolarHBondContact O-N 3.35Å; E1133-N1136 PolarHBondContact O-N 3.14Å; E1133-C1137 PolarHBondContact O-N 3.43Å; E1133-C1137 PolarHBondContact O-SG 3.27Å; E1133-V1243 HydrophobicContact CB-CG2 3.85Å
1134	F	62.5	Low	65.2	Low	40 Å²	40	76.4 Å²	76.4	18%	0.175	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-46.9	175.4	-178.3	-118	0	0	0	112.8	L1130 N1136 C1137 I1138 W1232 V1243 C1245	L1130-F1134 WeakPolarHBondContact O-CB 3.33Å; L1130-F1134 PolarHBondContact O-N 2.62Å; F1134-N1136 PolarHBondContact O-N 2.63Å; F1134-C1137 WeakPolarHBondContact O-CB 3.39Å; F1134-C1137 PolarHBondContact O-N 2.93Å; F1134-C1137 VanDerWaalsContact O-N 3.11Å; F1134-I1138 HydrophobicContact CD1-CD1 4.1Å; F1134-I1138 HydrophobicContact CE1-CD1 3.73Å; F1134-I1138 HydrophobicContact CE2-CD1 4.34Å; F1134-I1138 HydrophobicContact CZ-CD1 3.86Å; F1134-I1138 PolarHBondContact O-N 3.47Å; F1134-I1138 VanDerWaalsContact O-N 3.12Å; F1134-W1232 HydrophobicContact CB-CE3 4.42Å; F1134-W1232 HydrophobicContact CB-CZ3 3.84Å; F1134-W1232 HydrophobicContact CD1-CZ3 4Å; F1134-W1232 AromaticContact CG-CZ3 3.93Å; F1134-W1232 HydrophobicContact CG-CZ3 3.93Å; F1134-V1243 HydrophobicContact CB-CB 4.28Å; F1134-V1243 HydrophobicContact CB-CG1 4.04Å; F1134-V1243 HydrophobicContact CD2-CB 4.3Å; F1134-V1243 HydrophobicContact CD2-CG1 4.15Å; F1134-V1243 WeakPolarHBondContact CD2-O 3.37Å; F1134-C1245 HydrophobicContact CD1-CB 4.27Å; F1134-C1245 HydrophobicContact CD2-CB 4.13Å; F1134-C1245 HydrophobicContact CE1-CB 3.96Å; F1134-C1245 HydrophobicContact CE2-CB 3.84Å; F1134-C1245 HydrophobicContact CG-CB 4.35Å; F1134-C1245 HydrophobicContact CZ-CB 3.74Å
1135	K	69.5	Low	63	Low	99 Å²	99	80.5 Å²	80.5	43%	0.43	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.4	-69.6	159.6	-164.4	168.7	0	111.1	E1131 T1132 C1137 I1138 D1139	E1131-K1135 WeakPolarHBondContact O-CB 3.33Å; E1131-K1135 VanDerWaalsContact O-CD 3.25Å; E1131-K1135 WeakPolarHBondContact O-CD 3.47Å; E1131-K1135 WeakPolarHBondContact O-CG 3.23Å; E1131-K1135 PolarHBondContact O-N 3.46Å; E1131-K1135 IonicContact OE2-NZ 2.98Å; E1131-K1135 PolarHBondContact OE2-NZ 2.69Å; T1132-K1135 PolarHBondContact O-N 2.61Å; K1135-C1137 PolarHBondContact O-N 2.9Å; K1135-I1138 PolarHBondContact O-N 3.28Å; K1135-I1138 VanDerWaalsContact O-N 3.1Å; K1135-D1139 PolarHBondContact O-N 2.67Å
1136	N	69.2	Low	60.9	Low	85 Å²	85	89.3 Å²	89.3	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-25.3	174.7	-74	-32.2	0	0	0	113.8	T1132 E1133 F1134 K1140	T1132-N1136 WeakPolarHBondContact O-CB 3.21Å; T1132-N1136 PolarHBondContact O-N 2.7Å; T1132-N1136 PolarHBondContact O-ND2 3.04Å; E1133-N1136 PolarHBondContact O-N 3.14Å; F1134-N1136 PolarHBondContact O-N 2.63Å; N1136-K1140 WeakPolarHBondContact O-CD 3.38Å; N1136-K1140 VanDerWaalsContact O-CG 3.29Å; N1136-K1140 WeakPolarHBondContact O-CG 3.28Å
1137	C	56.4	Low	58.8	Low	13 Å²	13	92.2 Å²	92.2	9%	0.088	47%	0.469	C	S	.	.	H	α-helix	trans	-75.9	-40.1	172.8	-68.6	0	0	0	0	111.8	E1133 F1134 K1135 K1140 N1141 V1243	E1133-C1137 PolarHBondContact O-N 3.43Å; E1133-C1137 PolarHBondContact O-SG 3.27Å; F1134-C1137 WeakPolarHBondContact O-CB 3.39Å; F1134-C1137 PolarHBondContact O-N 2.93Å; F1134-C1137 VanDerWaalsContact O-N 3.11Å; K1135-C1137 PolarHBondContact O-N 2.9Å; C1137-K1140 PolarHBondContact O-N 2.69Å; C1137-N1141 WeakPolarHBondContact O-CB 3.35Å; C1137-N1141 PolarHBondContact O-N 2.75Å; C1137-V1243 PolarHBondContact SG-N 2.87Å; C1137-V1243 VanDerWaalsContact SG-N 3.37Å
1138	I	53.5	Low	57.6	Low	80 Å²	80	94.8 Å²	94.8	41%	0.41	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-47.8	176.6	-66.2	167	0	0	0	110.7	F1134 K1135 K1140 N1141	F1134-I1138 HydrophobicContact CD1-CD1 4.1Å; F1134-I1138 HydrophobicContact CE1-CD1 3.73Å; F1134-I1138 HydrophobicContact CE2-CD1 4.34Å; F1134-I1138 HydrophobicContact CZ-CD1 3.86Å; F1134-I1138 PolarHBondContact O-N 3.47Å; F1134-I1138 VanDerWaalsContact O-N 3.12Å; K1135-I1138 PolarHBondContact O-N 3.28Å; K1135-I1138 VanDerWaalsContact O-N 3.1Å; I1138-K1140 VanDerWaalsContact C-N 3.27Å; I1138-K1140 PolarHBondContact O-N 2.72Å; I1138-N1141 CarbonylContact O-C 3.53Å; I1138-N1141 VanDerWaalsContact O-C 3.32Å; I1138-N1141 PolarHBondContact O-N 2.68Å; I1138-N1141 VanDerWaalsContact O-N 3.14Å
1139	D	55.8	Low	56.2	Low	117 Å²	117	91 Å²	91	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-63.1	-30.9	-177.7	-77.6	-36.6	0	0	0	113.8	K1135	K1135-D1139 PolarHBondContact O-N 2.67Å
1140	K	54.1	Low	55.1	Low	153 Å²	153	92.1 Å²	92.1	67%	0.665	48%	0.483	S	S	*	.	H	α-helix	trans	-72.6	-48.5	172.2	-69.4	169.8	-171.7	172.3	0	111	N1136 C1137 I1138 K1142	N1136-K1140 WeakPolarHBondContact O-CD 3.38Å; N1136-K1140 VanDerWaalsContact O-CG 3.29Å; N1136-K1140 WeakPolarHBondContact O-CG 3.28Å; C1137-K1140 PolarHBondContact O-N 2.69Å; I1138-K1140 VanDerWaalsContact C-N 3.27Å; I1138-K1140 PolarHBondContact O-N 2.72Å; K1140-K1142 PolarHBondContact O-N 3.45Å
1141	N	45.3	Very low	54.7	Low	89 Å²	89	96.3 Å²	96.3	48%	0.476	50%	0.501	S	S	.	.			trans	-91.5	71.2	-175.3	-71.6	-20.4	0	0	0	112.3	C1137 I1138 V1143 T1144	C1137-N1141 WeakPolarHBondContact O-CB 3.35Å; C1137-N1141 PolarHBondContact O-N 2.75Å; I1138-N1141 CarbonylContact O-C 3.53Å; I1138-N1141 VanDerWaalsContact O-C 3.32Å; I1138-N1141 PolarHBondContact O-N 2.68Å; I1138-N1141 VanDerWaalsContact O-N 3.14Å; N1141-V1143 PolarHBondContact O-N 3.08Å; N1141-T1144 PolarHBondContact O-N 2.6Å; N1141-T1144 PolarHBondContact O-OG1 2.73Å; N1141-T1144 VanDerWaalsContact O-OG1 3.11Å
1142	K	45.8	Very low	54.6	Low	187 Å²	187	99 Å²	99	81%	0.813	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	8.8	178.1	-68.1	-170.3	172.6	-175.4	0	116.7	K1140	K1140-K1142 PolarHBondContact O-N 3.45Å
1143	V	32.8	Very low	54.7	Low	143 Å²	143	97.7 Å²	97.7	87%	0.867	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	47.9	177	-160	0	0	0	0	111	N1141	N1141-V1143 PolarHBondContact O-N 3.08Å
1144	T	29.3	Very low	55.2	Low	101 Å²	101	100.9 Å²	100.9	62%	0.62	52%	0.52	S	S	*	.			trans	-131.5	126	163.3	7.1	0	0	0	0	108.8	N1141	N1141-T1144 PolarHBondContact O-N 2.6Å; N1141-T1144 PolarHBondContact O-OG1 2.73Å; N1141-T1144 VanDerWaalsContact O-OG1 3.11Å
1145	V	33.7	Very low	56.2	Low	117 Å²	117	100.3 Å²	100.3	71%	0.709	52%	0.519	S	S	*	.			trans	-89.7	143.7	-169.8	178.8	0	0	0	0	110.4	N1147	V1145-N1147 PolarHBondContact O-N 3.26Å
1146	E	37.7	Very low	56.8	Low	190 Å²	190	99.3 Å²	99.3	89%	0.888	52%	0.516	S	S	*	.			trans	-62.9	17.2	-176.2	-56.3	177.1	117.1	0	0	116.1	N1148	E1146-N1148 PolarHBondContact O-N 3.48Å
1147	N	39.1	Very low	57.3	Low	135 Å²	135	98 Å²	98	72%	0.722	51%	0.507	S	S	*	.			trans	-76.2	68.7	179.2	-70.1	-17.9	0	0	0	111	V1145 P1149	V1145-N1147 PolarHBondContact O-N 3.26Å; N1147-P1149 WeakPolarHBondContact O-CD 3.41Å
1148	N	52.2	Low	58.4	Low	72 Å²	72	104 Å²	104	39%	0.385	54%	0.538	S	S	.	.			trans	-79.8	100.3	161.8	-95.7	4	0	0	0	108.8	E1146 V1150 C1245	E1146-N1148 PolarHBondContact O-N 3.48Å; N1148-V1150 PolarHBondContact O-N 2.84Å; N1148-C1245 PolarHBondContact ND2-O 3.19Å; N1148-C1245 PolarHBondContact OD1-O 3.09Å
1149	P	54.2	Low	59.8	Low	71 Å²	71	105.1 Å²	105.1	46%	0.461	55%	0.545	S	S	.	.			trans	-64.1	122.4	172.2	28.4	-34.6	0	0	0	108.9	N1147 F1151	N1147-P1149 WeakPolarHBondContact O-CD 3.41Å; P1149-F1151 HydrophobicContact CB-CE2 4.48Å; P1149-F1151 HydrophobicContact CG-CE2 3.79Å; P1149-F1151 HydrophobicContact CG-CZ 3.88Å; P1149-F1151 WeakPolarHBondContact O-CD2 3.44Å; P1149-F1151 PolarHBondContact O-N 2.79Å
1150	V	58.8	Low	61	Low	76 Å²	76	102 Å²	102	46%	0.461	54%	0.536	S	S	.	.			trans	-73.4	108	167.1	-180	0	0	0	0	107	N1148 E1152 N1247 R1249	N1148-V1150 PolarHBondContact O-N 2.84Å; V1150-E1152 PolarHBondContact O-N 2.82Å; V1150-N1247 WeakPolarHBondContact CA-O 3.4Å; V1150-N1247 HydrophobicContact CG2-CB 4.28Å; V1150-R1249 HydrophobicContact CG1-CB 3.96Å
1151	F	69.3	Low	62.6	Low	88 Å²	88	94.7 Å²	94.7	39%	0.386	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.3	173.5	-64.4	-89.1	0	0	0	108.2	P1149 T1246 N1247 V1248 R1249	P1149-F1151 HydrophobicContact CB-CE2 4.48Å; P1149-F1151 HydrophobicContact CG-CE2 3.79Å; P1149-F1151 HydrophobicContact CG-CZ 3.88Å; P1149-F1151 WeakPolarHBondContact O-CD2 3.44Å; P1149-F1151 PolarHBondContact O-N 2.79Å; F1151-T1246 HydrophobicContact CD2-CG2 3.82Å; F1151-T1246 HydrophobicContact CE2-CG2 3.67Å; F1151-N1247 PolarHBondContact N-O 2.82Å; F1151-N1247 VanDerWaalsContact N-O 3.1Å; F1151-V1248 HydrophobicContact CB-CG1 4.4Å; F1151-V1248 HydrophobicContact CB-CG2 4.27Å; F1151-V1248 CarbonylContact O-C 3.49Å; F1151-V1248 VanDerWaalsContact O-CA 3.29Å; F1151-V1248 WeakPolarHBondContact O-CA 3.29Å; F1151-V1248 WeakPolarHBondContact O-CG1 3.32Å; F1151-R1249 PolarHBondContact O-N 2.96Å
1152	E	75.5	Confident	64.5	Low	111 Å²	111	94.3 Å²	94.3	52%	0.519	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.9	166.6	-62.6	-152.8	145	0	0	109.5	V1150 R1249 K1251	V1150-E1152 PolarHBondContact O-N 2.82Å; E1152-R1249 WeakPolarHBondContact CA-O 3.42Å; E1152-R1249 HydrophobicContact CG-CB 4.39Å; E1152-R1249 WeakPolarHBondContact OE1-CD 3.23Å; E1152-R1249 IonicContact OE1-NE 3.66Å; E1152-K1251 WeakPolarHBondContact OE1-CE 3.04Å; E1152-K1251 IonicContact OE1-NZ 2.7Å; E1152-K1251 PolarHBondContact OE1-NZ 3.22Å; E1152-K1251 IonicContact OE2-NZ 2.94Å; E1152-K1251 PolarHBondContact OE2-NZ 3.22Å
1153	V	82.1	Confident	66.4	Low	46 Å²	46	85.5 Å²	85.5	28%	0.279	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.2	175.5	179.5	0	0	0	0	108.1	L1155 L1163 V1248 R1249 V1250 K1251	V1153-L1155 HydrophobicContact CG1-CD2 4.04Å; V1153-L1155 HydrophobicContact CG1-CG 4.27Å; V1153-L1163 HydrophobicContact CB-CD2 4.28Å; V1153-L1163 HydrophobicContact CG1-CD2 4.05Å; V1153-L1163 HydrophobicContact CG2-CD2 4.43Å; V1153-V1248 HydrophobicContact CB-CG1 4.36Å; V1153-V1248 HydrophobicContact CG2-CG1 3.76Å; V1153-R1249 PolarHBondContact N-O 3.37Å; V1153-V1250 WeakPolarHBondContact O-CA 3.31Å; V1153-K1251 PolarHBondContact O-N 3.07Å
1154	E	82.1	Confident	68.7	Low	105 Å²	105	83.2 Å²	83.2	49%	0.491	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.7	170.7	-58.7	-168	104.4	0	0	109.3	K1251 R1253	E1154-K1251 WeakPolarHBondContact CA-O 3.39Å; E1154-K1251 HydrophobicContact CG-CB 4.36Å; E1154-R1253 IonicContact OE1-CZ 2.71Å; E1154-R1253 VanDerWaalsContact OE1-CZ 3.27Å; E1154-R1253 IonicContact OE1-NE 2.6Å; E1154-R1253 PolarHBondContact OE1-NE 3.5Å; E1154-R1253 IonicContact OE1-NH2 2.69Å; E1154-R1253 PolarHBondContact OE1-NH2 2.78Å; E1154-R1253 IonicContact OE2-CZ 2.87Å; E1154-R1253 IonicContact OE2-NE 3.65Å; E1154-R1253 IonicContact OE2-NH2 2.79Å; E1154-R1253 PolarHBondContact OE2-NH2 3.36Å
1155	L	84.3	Confident	71.2	Confident	29 Å²	29	78.8 Å²	78.8	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.5	175.3	-61.7	178.3	0	0	0	109.2	V1153 F1161 T1221 V1250 K1251 V1252 R1253	V1153-L1155 HydrophobicContact CG1-CD2 4.04Å; V1153-L1155 HydrophobicContact CG1-CG 4.27Å; L1155-F1161 HydrophobicContact CD1-CD2 3.49Å; L1155-F1161 VanDerWaalsContact CD1-CD2 3.49Å; L1155-F1161 HydrophobicContact CD1-CE2 3.8Å; L1155-F1161 HydrophobicContact CD1-CG 4.21Å; L1155-T1221 HydrophobicContact CB-CG2 4.1Å; L1155-T1221 HydrophobicContact CD1-CG2 4.12Å; L1155-V1250 HydrophobicContact CD1-CG1 3.87Å; L1155-V1250 HydrophobicContact CG-CG1 4.26Å; L1155-K1251 PolarHBondContact N-O 2.98Å; L1155-V1252 CarbonylContact O-C 3.54Å; L1155-V1252 WeakPolarHBondContact O-CA 3.25Å; L1155-R1253 PolarHBondContact O-N 2.85Å
1156	E	81.3	Confident	73.1	Confident	78 Å²	78	75.1 Å²	75.1	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	149.1	170.4	-57.7	-165.5	152.4	0	0	110	D1159 R1258	E1156-D1159 HydrophobicContact CB-CB 4.29Å; E1156-D1159 WeakPolarHBondContact O-CB 3.49Å; E1156-D1159 PolarHBondContact O-N 3.16Å; E1156-R1258 IonicContact OE1-CZ 3.06Å; E1156-R1258 IonicContact OE1-NH2 3.3Å; E1156-R1258 PolarHBondContact OE1-NH2 3.35Å; E1156-R1258 IonicContact OE2-CZ 3.97Å; E1156-R1258 IonicContact OE2-NH1 2.7Å; E1156-R1258 PolarHBondContact OE2-NH1 3.33Å; E1156-R1258 IonicContact OE2-NH2 3.79Å; E1156-R1258 PolarHBondContact OE2-NH2 3.05Å
1157	E	81.1	Confident	74.7	Confident	58 Å²	58	66.6 Å²	66.6	27%	0.271	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	150.4	175.9	-168.6	164.6	-146.4	0	0	111.4	D1159 T1223 V1252 R1253 Q1254	E1157-D1159 PolarHBondContact O-N 2.8Å; E1157-T1223 WeakPolarHBondContact OE1-CG2 3.25Å; E1157-T1223 PolarHBondContact OE1-OG1 3.32Å; E1157-T1223 VanDerWaalsContact OE1-OG1 3.11Å; E1157-V1252 HydrophobicContact CB-CG1 4.08Å; E1157-R1253 PolarHBondContact N-O 2.98Å; E1157-Q1254 WeakPolarHBondContact OE2-CA 3.3Å; E1157-Q1254 WeakPolarHBondContact OE2-CB 3.27Å; E1157-Q1254 WeakPolarHBondContact OE2-CG 3.48Å
1158	D	78.7	Confident	75.6	Confident	139 Å²	139	66 Å²	66	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-16.7	-169.3	-74.4	-35.5	0	0	0	116.4	T1221	D1158-T1221 PolarHBondContact N-O 2.96Å
1159	D	82.6	Confident	75.7	Confident	102 Å²	102	68.7 Å²	68.7	55%	0.545	36%	0.358	S	S	.	.	S	Bend	trans	-72.5	159.6	-176.2	-154	18	0	0	0	112.7	E1156 E1157 F1161 T1221	E1156-D1159 HydrophobicContact CB-CB 4.29Å; E1156-D1159 WeakPolarHBondContact O-CB 3.49Å; E1156-D1159 PolarHBondContact O-N 3.16Å; E1157-D1159 PolarHBondContact O-N 2.8Å; D1159-F1161 PolarHBondContact O-N 3.3Å; D1159-T1221 VanDerWaalsContact O-CB 3.29Å; D1159-T1221 WeakPolarHBondContact O-CB 3.45Å; D1159-T1221 PolarHBondContact O-N 2.86Å; D1159-T1221 PolarHBondContact O-OG1 3.34Å
1160	A	81.5	Confident	75.5	Confident	52 Å²	52	67 Å²	67	43%	0.43	35%	0.354	S	S	.	.			trans	-74.7	96.2	-167.9	0	0	0	0	0	113.8	Q1162	A1160-Q1162 PolarHBondContact O-N 2.86Å
1161	F	87.7	Confident	75	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.351	C	S	.	.			trans	-47.9	116.3	-177.8	-174.3	-81.5	0	0	0	112.7	L1155 D1159 L1163 Y1199 L1216 S1217 K1218 T1221 D1225 Y1229 V1250	L1155-F1161 HydrophobicContact CD1-CD2 3.49Å; L1155-F1161 VanDerWaalsContact CD1-CD2 3.49Å; L1155-F1161 HydrophobicContact CD1-CE2 3.8Å; L1155-F1161 HydrophobicContact CD1-CG 4.21Å; D1159-F1161 PolarHBondContact O-N 3.3Å; F1161-L1163 HydrophobicContact CE1-CD1 4.14Å; F1161-L1163 HydrophobicContact CE1-CG 3.78Å; F1161-L1163 HydrophobicContact CZ-CD1 3.76Å; F1161-L1163 HydrophobicContact CZ-CD2 4.32Å; F1161-L1163 HydrophobicContact CZ-CG 3.71Å; F1161-Y1199 HydrophobicContact CD1-CE1 4.05Å; F1161-Y1199 HydrophobicContact CE1-CD1 4.25Å; F1161-Y1199 AromaticContact CE1-CE1 3.69Å; F1161-Y1199 HydrophobicContact CE1-CE1 3.69Å; F1161-Y1199 HydrophobicContact CE2-CE1 4.46Å; F1161-Y1199 AromaticContact CZ-CE1 3.91Å; F1161-Y1199 HydrophobicContact CZ-CE1 3.91Å; F1161-L1216 HydrophobicContact CE1-CD2 3.97Å; F1161-L1216 HydrophobicContact CE1-CG 4.07Å; F1161-L1216 HydrophobicContact CZ-CD2 4.44Å; F1161-S1217 WeakPolarHBondContact O-CA 3.33Å; F1161-S1217 WeakPolarHBondContact O-CB 3.46Å; F1161-K1218 HydrophobicContact CB-CB 3.97Å; F1161-K1218 HydrophobicContact CD1-CB 4.12Å; F1161-K1218 HydrophobicContact CG-CB 4.2Å; F1161-K1218 PolarHBondContact O-N 3.35Å; F1161-K1218 VanDerWaalsContact O-N 3.15Å; F1161-T1221 WeakPolarHBondContact CA-OG1 3.29Å; F1161-T1221 WeakPolarHBondContact CB-OG1 3.44Å; F1161-T1221 HydrophobicContact CD2-CG2 4.24Å; F1161-T1221 PolarHBondContact N-OG1 2.86Å; F1161-D1225 HydrophobicContact CD2-CB 4.19Å; F1161-D1225 HydrophobicContact CE2-CB 4.07Å; F1161-Y1229 HydrophobicContact CE2-CE2 4.47Å; F1161-Y1229 AromaticContact CE2-CZ 4Å; F1161-Y1229 AromaticContact CZ-CE1 3.81Å; F1161-Y1229 HydrophobicContact CZ-CE1 3.81Å; F1161-Y1229 HydrophobicContact CZ-CE2 4.25Å; F1161-Y1229 AromaticContact CZ-CZ 3.66Å; F1161-V1250 HydrophobicContact CE2-CG1 4.45Å
1162	Q	84.3	Confident	74.1	Confident	80 Å²	80	69.9 Å²	69.9	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	105	176.7	-73.1	179.7	69.6	0	0	111.6	A1160 L1216	A1160-Q1162 PolarHBondContact O-N 2.86Å; Q1162-L1216 WeakPolarHBondContact CA-O 3.04Å
1163	L	85.3	Confident	72.9	Confident	3 Å²	3	72 Å²	72	2%	0.016	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.9	165.7	-54.2	-177.5	0	0	0	109.5	V1153 F1161 W1180 K1215 L1216 Y1229 V1248 V1250	V1153-L1163 HydrophobicContact CB-CD2 4.28Å; V1153-L1163 HydrophobicContact CG1-CD2 4.05Å; V1153-L1163 HydrophobicContact CG2-CD2 4.43Å; F1161-L1163 HydrophobicContact CE1-CD1 4.14Å; F1161-L1163 HydrophobicContact CE1-CG 3.78Å; F1161-L1163 HydrophobicContact CZ-CD1 3.76Å; F1161-L1163 HydrophobicContact CZ-CD2 4.32Å; F1161-L1163 HydrophobicContact CZ-CG 3.71Å; L1163-W1180 HydrophobicContact CB-CH2 4.11Å; L1163-W1180 HydrophobicContact CB-CZ3 4.38Å; L1163-W1180 HydrophobicContact CD1-CZ3 4.08Å; L1163-K1215 VanDerWaalsContact O-CA 3.3Å; L1163-K1215 WeakPolarHBondContact O-CA 3.48Å; L1163-L1216 HydrophobicContact CB-CB 4.36Å; L1163-L1216 HydrophobicContact CD1-CD2 4.42Å; L1163-L1216 PolarHBondContact N-O 2.83Å; L1163-L1216 PolarHBondContact O-N 2.87Å; L1163-Y1229 HydrophobicContact CD1-CD1 4.18Å; L1163-Y1229 HydrophobicContact CD1-CD2 4.14Å; L1163-Y1229 HydrophobicContact CD1-CG 3.89Å; L1163-V1248 HydrophobicContact CD1-CG1 4.29Å; L1163-V1248 HydrophobicContact CD2-CG1 4.39Å; L1163-V1250 HydrophobicContact CD1-CG2 3.82Å; L1163-V1250 HydrophobicContact CD2-CG2 3.72Å; L1163-V1250 HydrophobicContact CG-CG2 4.37Å
1164	K	81.8	Confident	71.7	Confident	94 Å²	94	73.7 Å²	73.7	41%	0.409	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.5	177.2	-55.1	-169.2	-172.9	-167.8	0	110.9	E1204 M1213 T1214 K1215	K1164-E1204 WeakPolarHBondContact CE-OE2 3.35Å; K1164-E1204 IonicContact NZ-OE1 2.74Å; K1164-E1204 IonicContact NZ-OE2 2.69Å; K1164-E1204 PolarHBondContact NZ-OE2 2.61Å; K1164-M1213 HydrophobicContact CB-CE 3.78Å; K1164-T1214 CarbonylContact C-O 3.58Å; K1164-T1214 VanDerWaalsContact CA-O 3.28Å; K1164-T1214 WeakPolarHBondContact CA-O 3.32Å; K1164-K1215 HydrophobicContact CG-CB 4.36Å; K1164-K1215 HydrophobicContact CG-CG 4.26Å
1165	I	81.7	Confident	70.8	Confident	8 Å²	8	73 Å²	73	4%	0.041	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.3	-178.1	-57.2	173.9	0	0	0	109.6	W1180 M1213 T1214 C1231 T1246 V1248	I1165-W1180 HydrophobicContact CD1-CH2 3.34Å; I1165-W1180 HydrophobicContact CD1-CZ2 4.16Å; I1165-W1180 HydrophobicContact CD1-CZ3 3.79Å; I1165-W1180 HydrophobicContact CG1-CH2 3.9Å; I1165-M1213 CarbonylContact O-C 3.56Å; I1165-M1213 VanDerWaalsContact O-CA 3.26Å; I1165-M1213 WeakPolarHBondContact O-CA 3.11Å; I1165-T1214 PolarHBondContact N-O 3.38Å; I1165-T1214 PolarHBondContact O-N 3.03Å; I1165-T1214 PolarHBondContact O-OG1 2.95Å; I1165-C1231 HydrophobicContact CD1-CB 3.46Å; I1165-C1231 VanDerWaalsContact CD1-CB 3.46Å; I1165-T1246 HydrophobicContact CD1-CG2 4.15Å; I1165-T1246 HydrophobicContact CG2-CG2 3.86Å; I1165-V1248 HydrophobicContact CD1-CG2 3.47Å; I1165-V1248 VanDerWaalsContact CD1-CG2 3.47Å; I1165-V1248 HydrophobicContact CG1-CG2 4.02Å
1166	P	74.4	Confident	70.1	Confident	41 Å²	41	72.3 Å²	72.3	27%	0.266	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.5	172.2	29.5	-33.2	0	0	0	111.7	Q1168 M1213	P1166-Q1168 PolarHBondContact O-N 3.41Å; P1166-M1213 HydrophobicContact CB-SD 3.73Å; P1166-M1213 HydrophobicContact CG-SD 4.49Å
1167	I	70.3	Confident	69.9	Low	10 Å²	10	68.7 Å²	68.7	5%	0.051	37%	0.368	C	S	.	.			trans	-76.9	109.1	171.6	-52.7	174.3	0	0	0	108.8	G1170 F1176 F1203 M1212 T1214 T1233	I1167-G1170 PolarHBondContact O-N 3.46Å; I1167-F1176 HydrophobicContact CG2-CD1 3.95Å; I1167-F1176 HydrophobicContact CG2-CE1 3.94Å; I1167-F1176 HydrophobicContact CG2-CG 4.38Å; I1167-F1176 HydrophobicContact CG2-CZ 4.39Å; I1167-F1203 HydrophobicContact CD1-CD1 4.17Å; I1167-F1203 HydrophobicContact CD1-CE1 3.85Å; I1167-M1212 HydrophobicContact CD1-CB 4.3Å; I1167-M1212 HydrophobicContact CD1-CG 3.95Å; I1167-M1212 HydrophobicContact CD1-SD 4.41Å; I1167-M1212 WeakPolarHBondContact CG1-O 3.37Å; I1167-M1212 PolarHBondContact N-O 3.15Å; I1167-T1214 HydrophobicContact CD1-CG2 3.73Å; I1167-T1214 HydrophobicContact CG1-CG2 3.65Å; I1167-T1233 HydrophobicContact CG1-CG2 4.43Å
1168	Q	58.7	Low	70	Confident	122 Å²	122	66 Å²	66	57%	0.57	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	136.7	175.3	-62.7	-170.4	19.4	0	0	110.7	P1166 Q1244	P1166-Q1168 PolarHBondContact O-N 3.41Å; Q1168-Q1244 PolarHBondContact O-NE2 3.01Å
1169	N	54.7	Low	70.3	Confident	129 Å²	129	59.3 Å²	59.3	69%	0.69	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	21	-174	-49.3	-47.6	0	0	0	116	S1171 Q1174	N1169-S1171 VanDerWaalsContact C-N 3.34Å; N1169-S1171 PolarHBondContact O-N 3.02Å; N1169-Q1174 PolarHBondContact O-OE1 3.48Å
1170	G	49.6	Very low	70.5	Confident	36 Å²	36	54.5 Å²	54.5	37%	0.371	29%	0.294	S	S	.	.			trans	-63.3	80.2	173.4	0	0	0	0	0	114.7	I1167	I1167-G1170 PolarHBondContact O-N 3.46Å
1171	S	48.2	Very low	70.7	Confident	59 Å²	59	52 Å²	52	41%	0.413	27%	0.274	S	S	.	.			trans	-73.6	141.9	163.6	78.8	0	0	0	0	109.8	N1169 N1173 Q1174	N1169-S1171 VanDerWaalsContact C-N 3.34Å; N1169-S1171 PolarHBondContact O-N 3.02Å; S1171-N1173 PolarHBondContact O-N 3.41Å; S1171-Q1174 PolarHBondContact O-N 2.97Å; S1171-Q1174 VanDerWaalsContact OG-CD 3.24Å; S1171-Q1174 WeakPolarHBondContact OG-CG 3.47Å; S1171-Q1174 PolarHBondContact OG-OE1 3.15Å
1172	Q	51.2	Low	70.4	Confident	165 Å²	165	53.6 Å²	53.6	77%	0.771	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.3	-173.8	-69.4	-175.6	-24.8	0	0	115.1
1173	N	50	Low	70.1	Confident	155 Å²	155	56 Å²	56	83%	0.829	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	9	-176	-61.2	0.4	0	0	0	113	S1171	S1171-N1173 PolarHBondContact O-N 3.41Å
1174	Q	56	Low	69.5	Low	82 Å²	82	60 Å²	60	38%	0.383	31%	0.314	S	S	.	.			trans	-106.4	127.1	176.4	-80.3	167.3	-44.4	0	0	110.1	N1169 S1171 F1176	N1169-Q1174 PolarHBondContact O-OE1 3.48Å; S1171-Q1174 PolarHBondContact O-N 2.97Å; S1171-Q1174 VanDerWaalsContact OG-CD 3.24Å; S1171-Q1174 WeakPolarHBondContact OG-CG 3.47Å; S1171-Q1174 PolarHBondContact OG-OE1 3.15Å; Q1174-F1176 HydrophobicContact CB-CD2 4.29Å; Q1174-F1176 HydrophobicContact CB-CE2 3.52Å; Q1174-F1176 HydrophobicContact CB-CZ 3.71Å; Q1174-F1176 WeakPolarHBondContact O-CD2 3.29Å; Q1174-F1176 VanDerWaalsContact O-CE2 3.26Å; Q1174-F1176 WeakPolarHBondContact O-CE2 3.28Å; Q1174-F1176 PolarHBondContact O-N 2.98Å
1175	D	62.7	Low	69.3	Low	91 Å²	91	62.7 Å²	62.7	49%	0.487	33%	0.328	S	S	.	.			trans	-78.8	118.6	172	-69.3	-39.7	0	0	0	109.3	N1088	N1088-D1175 HydrophobicContact CB-CB 4.19Å; N1088-D1175 VanDerWaalsContact ND2-CB 3.25Å; N1088-D1175 WeakPolarHBondContact ND2-CB 3.45Å; N1088-D1175 PolarHBondContact ND2-O 2.73Å
1176	F	71.3	Confident	69.1	Low	15 Å²	15	64.6 Å²	64.6	7%	0.066	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.9	176.7	-62.7	-90.4	0	0	0	110.1	I1167 Q1174 N1190	I1167-F1176 HydrophobicContact CG2-CD1 3.95Å; I1167-F1176 HydrophobicContact CG2-CE1 3.94Å; I1167-F1176 HydrophobicContact CG2-CG 4.38Å; I1167-F1176 HydrophobicContact CG2-CZ 4.39Å; Q1174-F1176 HydrophobicContact CB-CD2 4.29Å; Q1174-F1176 HydrophobicContact CB-CE2 3.52Å; Q1174-F1176 HydrophobicContact CB-CZ 3.71Å; Q1174-F1176 WeakPolarHBondContact O-CD2 3.29Å; Q1174-F1176 VanDerWaalsContact O-CE2 3.26Å; Q1174-F1176 WeakPolarHBondContact O-CE2 3.28Å; Q1174-F1176 PolarHBondContact O-N 2.98Å; F1176-N1190 PolarHBondContact O-ND2 3.38Å
1177	V	76.4	Confident	69.3	Low	2 Å²	2	64.3 Å²	64.3	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140	163.3	173.6	0	0	0	0	108.1	I1029 N1088 W1179 V1234	I1029-V1177 HydrophobicContact CG2-CG1 4.36Å; I1029-V1177 HydrophobicContact CG2-CG2 4.4Å; N1088-V1177 HydrophobicContact CB-CG2 3.85Å; N1088-V1177 WeakPolarHBondContact OD1-CG2 3.24Å; V1177-W1179 HydrophobicContact CG1-CZ2 4.42Å; V1177-W1179 VanDerWaalsContact CG1-NE1 3.29Å; V1177-V1234 HydrophobicContact CB-CB 4.37Å; V1177-V1234 PolarHBondContact N-O 3.32Å; V1177-V1234 PolarHBondContact O-N 2.81Å
1178	V	82	Confident	69.8	Low	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.1	-176.8	179.7	0	0	0	0	110	G1189 N1190 F1203 T1214 W1232 T1233	V1178-G1189 CarbonylContact O-C 3.6Å; V1178-G1189 WeakPolarHBondContact O-CA 3.17Å; V1178-N1190 HydrophobicContact CB-CB 4.33Å; V1178-N1190 PolarHBondContact N-OD1 2.69Å; V1178-N1190 PolarHBondContact O-N 3.34Å; V1178-N1190 PolarHBondContact O-OD1 2.87Å; V1178-F1203 HydrophobicContact CB-CE1 4.5Å; V1178-F1203 HydrophobicContact CG2-CE1 3.7Å; V1178-F1203 HydrophobicContact CG2-CZ 3.91Å; V1178-T1214 HydrophobicContact CB-CG2 4.25Å; V1178-T1214 HydrophobicContact CG1-CG2 3.7Å; V1178-T1214 HydrophobicContact CG2-CG2 3.75Å; V1178-W1232 WeakPolarHBondContact CA-O 3.5Å; V1178-T1233 HydrophobicContact CG1-CG2 4.39Å; V1178-T1233 HydrophobicContact CG2-CG2 4.03Å
1179	W	85.7	Confident	70.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.7	179.7	-63.2	105.6	0	0	0	110.3	I1029 C1124 P1125 L1130 V1177 L1186 H1191 L1192 W1232	I1029-W1179 HydrophobicContact CB-CZ2 4.19Å; I1029-W1179 HydrophobicContact CG2-CZ2 4.43Å; I1029-W1179 PolarHBondContact O-NE1 3.49Å; C1124-W1179 HydrophobicContact CB-CH2 3.79Å; C1124-W1179 HydrophobicContact CB-CZ3 4.12Å; P1125-W1179 HydrophobicContact CG-CD2 3.97Å; P1125-W1179 VanDerWaalsContact CG-CE2 3.41Å; P1125-W1179 HydrophobicContact CG-CG 4.31Å; P1125-W1179 HydrophobicContact CG-CH2 4.31Å; P1125-W1179 HydrophobicContact CG-CZ2 3.65Å; L1130-W1179 HydrophobicContact CD1-CB 3.98Å; L1130-W1179 HydrophobicContact CD1-CG 4.25Å; L1130-W1179 HydrophobicContact CD2-CG 4.46Å; V1177-W1179 HydrophobicContact CG1-CZ2 4.42Å; V1177-W1179 VanDerWaalsContact CG1-NE1 3.29Å; W1179-L1186 HydrophobicContact CB-CD1 4.28Å; W1179-L1186 HydrophobicContact CD2-CD1 4.47Å; W1179-L1186 HydrophobicContact CE3-CD1 3.88Å; W1179-L1186 HydrophobicContact CE3-CD2 4.16Å; W1179-L1186 HydrophobicContact CE3-CG 4.38Å; W1179-L1186 HydrophobicContact CZ3-CD2 4.01Å; W1179-H1191 AromaticContact CD2-CE1 3.95Å; W1179-H1191 AromaticContact CE2-CE1 3.53Å; W1179-H1191 AromaticContact CE3-CE1 3.92Å; W1179-H1191 AromaticContact CH2-CE1 3.15Å; W1179-H1191 WeakPolarHBondContact CH2-CE1 3.28Å; W1179-H1191 AromaticContact CH2-NE2 2.89Å; W1179-H1191 WeakPolarHBondContact CH2-NE2 3.34Å; W1179-H1191 AromaticContact CZ2-CE1 3.08Å; W1179-H1191 WeakPolarHBondContact CZ2-CE1 3.28Å; W1179-H1191 AromaticContact CZ2-NE2 3.26Å; W1179-H1191 VanDerWaalsContact CZ2-NE2 3.26Å; W1179-H1191 WeakPolarHBondContact CZ2-NE2 3.4Å; W1179-H1191 AromaticContact CZ3-CE1 3.56Å; W1179-H1191 AromaticContact CZ3-NE2 3.46Å; W1179-H1191 WeakPolarHBondContact CZ3-NE2 3.1Å; W1179-L1192 HydrophobicContact CZ3-CD1 3.92Å; W1179-W1232 HydrophobicContact CB-CB 4.26Å; W1179-W1232 PolarHBondContact N-O 2.92Å; W1179-W1232 PolarHBondContact O-N 3.03Å
1180	W	86.1	Confident	71.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	175.3	-71.2	86.1	0	0	0	110.2	L1163 I1165 L1187 T1188 L1216 C1231	L1163-W1180 HydrophobicContact CB-CH2 4.11Å; L1163-W1180 HydrophobicContact CB-CZ3 4.38Å; L1163-W1180 HydrophobicContact CD1-CZ3 4.08Å; I1165-W1180 HydrophobicContact CD1-CH2 3.34Å; I1165-W1180 HydrophobicContact CD1-CZ2 4.16Å; I1165-W1180 HydrophobicContact CD1-CZ3 3.79Å; I1165-W1180 HydrophobicContact CG1-CH2 3.9Å; W1180-L1187 WeakPolarHBondContact O-CB 3.37Å; W1180-L1187 PolarHBondContact O-N 2.72Å; W1180-T1188 HydrophobicContact CB-CG2 4.21Å; W1180-T1188 PolarHBondContact N-O 2.72Å; W1180-T1188 PolarHBondContact O-N 3.16Å; W1180-L1216 HydrophobicContact CB-CD1 4.31Å; W1180-L1216 HydrophobicContact CB-CD2 4.34Å; W1180-L1216 HydrophobicContact CD2-CB 3.93Å; W1180-L1216 HydrophobicContact CD2-CD1 4.31Å; W1180-L1216 HydrophobicContact CD2-CD2 3.87Å; W1180-L1216 HydrophobicContact CD2-CG 4.26Å; W1180-L1216 HydrophobicContact CE3-CB 4.18Å; W1180-L1216 HydrophobicContact CE3-CD2 3.69Å; W1180-L1216 HydrophobicContact CE3-CG 4.47Å; W1180-L1216 HydrophobicContact CG-CB 4.48Å; W1180-L1216 HydrophobicContact CG-CD1 4.02Å; W1180-L1216 HydrophobicContact CG-CD2 4.18Å; W1180-L1216 HydrophobicContact CG-CG 4.47Å; W1180-L1216 HydrophobicContact CH2-CB 3.98Å; W1180-L1216 HydrophobicContact CZ2-CB 3.77Å; W1180-L1216 HydrophobicContact CZ3-CB 4.2Å; W1180-L1216 HydrophobicContact CZ3-CD2 4.17Å; W1180-C1231 HydrophobicContact CD2-CB 4.06Å; W1180-C1231 HydrophobicContact CE3-CB 3.84Å; W1180-C1231 HydrophobicContact CH2-CB 3.93Å; W1180-C1231 HydrophobicContact CZ2-CB 4.07Å; W1180-C1231 HydrophobicContact CZ3-CB 3.79Å
1181	T	86.1	Confident	72.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142	174.4	59.6	0	0	0	0	110.2	V1127 E1185 L1186 Y1229 K1230 W1232	V1127-T1181 HydrophobicContact CG1-CG2 4.37Å; V1127-T1181 HydrophobicContact CG2-CG2 3.61Å; T1181-E1185 CarbonylContact C-O 3.48Å; T1181-E1185 WeakPolarHBondContact CA-O 3.42Å; T1181-E1185 WeakPolarHBondContact CB-O 3.29Å; T1181-L1186 HydrophobicContact CG2-CD1 3.75Å; T1181-Y1229 CarbonylContact O-C 3.37Å; T1181-Y1229 WeakPolarHBondContact O-CA 3.3Å; T1181-K1230 PolarHBondContact N-O 2.79Å; T1181-K1230 PolarHBondContact O-N 3Å; T1181-K1230 WeakPolarHBondContact OG1-CB 3.41Å; T1181-K1230 PolarHBondContact OG1-O 3.29Å; T1181-W1232 PolarHBondContact OG1-NE1 3.47Å
1182	H	82	Confident	73.7	Confident	34 Å²	34	53 Å²	53	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.6	171.7	165.3	-95.7	0	0	0	108	D1184 E1185 L1187 S1226 I1228 Y1229	H1182-D1184 PolarHBondContact O-N 3.49Å; H1182-E1185 PolarHBondContact N-O 3.49Å; H1182-E1185 PolarHBondContact O-N 2.8Å; H1182-L1187 HydrophobicContact CB-CD1 3.66Å; H1182-L1187 HydrophobicContact CB-CD2 4.25Å; H1182-L1187 HydrophobicContact CB-CG 4Å; H1182-S1226 PolarHBondContact NE2-O 3.45Å; H1182-I1228 WeakPolarHBondContact CA-O 3.42Å; H1182-Y1229 HydrophobicContact CB-CD1 3.95Å; H1182-Y1229 HydrophobicContact CB-CE1 3.97Å; H1182-Y1229 HydrophobicContact CB-CG 4.39Å; H1182-Y1229 AromaticContact CD2-CD2 3.84Å; H1182-Y1229 AromaticContact CD2-CE2 3.48Å; H1182-Y1229 VanDerWaalsContact CD2-CE2 3.48Å; H1182-Y1229 WeakPolarHBondContact CD2-CE2 3.32Å; H1182-Y1229 AromaticContact CD2-CZ 3.57Å
1183	E	77.2	Confident	74	Confident	129 Å²	129	50.3 Å²	50.3	60%	0.603	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	38.4	-179.2	-56.5	-163	162.2	0	0	114.6	G1227 I1228	E1183-G1227 WeakPolarHBondContact OE1-CA 3.46Å; E1183-I1228 PolarHBondContact N-O 3.29Å
1184	D	73.2	Confident	74.3	Confident	88 Å²	88	46.1 Å²	46.1	47%	0.471	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	15.4	179.9	-60.8	-31.4	0	0	0	117.1	V1127 H1182 K1230	V1127-D1184 VanDerWaalsContact CG2-O 3.31Å; V1127-D1184 WeakPolarHBondContact CG2-O 3.3Å; H1182-D1184 PolarHBondContact O-N 3.49Å; D1184-K1230 VanDerWaalsContact OD1-CE 3.25Å; D1184-K1230 WeakPolarHBondContact OD1-CE 3.44Å; D1184-K1230 IonicContact OD1-NZ 3.29Å; D1184-K1230 PolarHBondContact OD1-NZ 2.84Å; D1184-K1230 IonicContact OD2-NZ 2.59Å
1185	E	78.1	Confident	74.2	Confident	150 Å²	150	48.9 Å²	48.9	70%	0.701	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	152.5	164.9	-60.2	-165.5	163.9	0	0	112.7	T1181 H1182	T1181-E1185 CarbonylContact C-O 3.48Å; T1181-E1185 WeakPolarHBondContact CA-O 3.42Å; T1181-E1185 WeakPolarHBondContact CB-O 3.29Å; H1182-E1185 PolarHBondContact N-O 3.49Å; H1182-E1185 PolarHBondContact O-N 2.8Å
1186	L	77.5	Confident	73.9	Confident	49 Å²	49	53.4 Å²	53.4	26%	0.257	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102	-175.7	-174.1	72.7	0	0	0	112.6	C1124 V1127 L1130 W1179 T1181	C1124-L1186 HydrophobicContact CB-CD2 4.02Å; V1127-L1186 HydrophobicContact CG2-CB 4.49Å; L1130-L1186 HydrophobicContact CD1-CD1 4.44Å; W1179-L1186 HydrophobicContact CB-CD1 4.28Å; W1179-L1186 HydrophobicContact CD2-CD1 4.47Å; W1179-L1186 HydrophobicContact CE3-CD1 3.88Å; W1179-L1186 HydrophobicContact CE3-CD2 4.16Å; W1179-L1186 HydrophobicContact CE3-CG 4.38Å; W1179-L1186 HydrophobicContact CZ3-CD2 4.01Å; T1181-L1186 HydrophobicContact CG2-CD1 3.75Å
1187	L	79	Confident	73.4	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.183	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-60.2	-177.7	-64.7	177.4	0	0	0	113.1	W1180 H1182 R1197 Y1199 L1216 Y1229	W1180-L1187 WeakPolarHBondContact O-CB 3.37Å; W1180-L1187 PolarHBondContact O-N 2.72Å; H1182-L1187 HydrophobicContact CB-CD1 3.66Å; H1182-L1187 HydrophobicContact CB-CD2 4.25Å; H1182-L1187 HydrophobicContact CB-CG 4Å; L1187-R1197 PolarHBondContact O-NH1 2.7Å; L1187-Y1199 HydrophobicContact CD1-CD1 4.49Å; L1187-Y1199 HydrophobicContact CD1-CD2 4.44Å; L1187-Y1199 HydrophobicContact CD1-CG 4.42Å; L1187-Y1199 HydrophobicContact CD2-CD2 4.13Å; L1187-Y1199 HydrophobicContact CD2-CE2 4.21Å; L1187-L1216 HydrophobicContact CD1-CD2 4.32Å; L1187-Y1229 HydrophobicContact CD1-CD1 3.79Å; L1187-Y1229 HydrophobicContact CD1-CE1 3.61Å
1188	T	79.8	Confident	73.3	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	170.1	-164.7	-166.7	0	0	0	0	112	W1180 Y1199 C1201 L1216	W1180-T1188 HydrophobicContact CB-CG2 4.21Å; W1180-T1188 PolarHBondContact N-O 2.72Å; W1180-T1188 PolarHBondContact O-N 3.16Å; T1188-Y1199 VanDerWaalsContact CB-O 3.27Å; T1188-Y1199 WeakPolarHBondContact CB-O 2.99Å; T1188-Y1199 WeakPolarHBondContact CG2-O 3.44Å; T1188-Y1199 PolarHBondContact OG1-O 3.18Å; T1188-C1201 HydrophobicContact CG2-CB 4.12Å; T1188-L1216 HydrophobicContact CG2-CD1 3.33Å
1189	G	80.2	Confident	73.4	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.1	-179.3	0	0	0	0	0	113	V1178 H1191 L1192	V1178-G1189 CarbonylContact O-C 3.6Å; V1178-G1189 WeakPolarHBondContact O-CA 3.17Å; G1189-H1191 PolarHBondContact O-N 3.06Å; G1189-H1191 VanDerWaalsContact O-N 3.13Å; G1189-L1192 PolarHBondContact O-N 2.95Å
1190	N	74.5	Confident	73.1	Confident	46 Å²	46	67 Å²	67	25%	0.246	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.4	-168.8	70	-43.7	0	0	0	116.5	F1176 V1178 F1203	F1176-N1190 PolarHBondContact O-ND2 3.38Å; V1178-N1190 HydrophobicContact CB-CB 4.33Å; V1178-N1190 PolarHBondContact N-OD1 2.69Å; V1178-N1190 PolarHBondContact O-N 3.34Å; V1178-N1190 PolarHBondContact O-OD1 2.87Å; N1190-F1203 HydrophobicContact CB-CE2 3.82Å; N1190-F1203 HydrophobicContact CB-CZ 3.85Å; N1190-F1203 WeakPolarHBondContact ND2-CE2 3.08Å; N1190-F1203 WeakPolarHBondContact ND2-CZ 3.21Å
1191	H	71.5	Confident	73	Confident	31 Å²	31	68 Å²	68	14%	0.144	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-3.1	-174.7	55.3	-80.6	0	0	0	111.9	W1179 G1189	W1179-H1191 AromaticContact CD2-CE1 3.95Å; W1179-H1191 AromaticContact CE2-CE1 3.53Å; W1179-H1191 AromaticContact CE3-CE1 3.92Å; W1179-H1191 AromaticContact CH2-CE1 3.15Å; W1179-H1191 WeakPolarHBondContact CH2-CE1 3.28Å; W1179-H1191 AromaticContact CH2-NE2 2.89Å; W1179-H1191 WeakPolarHBondContact CH2-NE2 3.34Å; W1179-H1191 AromaticContact CZ2-CE1 3.08Å; W1179-H1191 WeakPolarHBondContact CZ2-CE1 3.28Å; W1179-H1191 AromaticContact CZ2-NE2 3.26Å; W1179-H1191 VanDerWaalsContact CZ2-NE2 3.26Å; W1179-H1191 WeakPolarHBondContact CZ2-NE2 3.4Å; W1179-H1191 AromaticContact CZ3-CE1 3.56Å; W1179-H1191 AromaticContact CZ3-NE2 3.46Å; W1179-H1191 WeakPolarHBondContact CZ3-NE2 3.1Å; G1189-H1191 PolarHBondContact O-N 3.06Å; G1189-H1191 VanDerWaalsContact O-N 3.13Å
1192	L	67.1	Low	72.7	Confident	35 Å²	35	70 Å²	70	18%	0.183	36%	0.358	C	S	.	.	S	Bend	trans	-78.6	139.6	171.5	-78.1	167	0	0	0	109.7	P1092 W1179 G1189 S1194	P1092-L1192 HydrophobicContact CG-CD2 4.07Å; W1179-L1192 HydrophobicContact CZ3-CD1 3.92Å; G1189-L1192 PolarHBondContact O-N 2.95Å; L1192-S1194 PolarHBondContact O-N 3.1Å
1193	T	58.2	Low	72.7	Confident	107 Å²	107	72 Å²	72	66%	0.656	37%	0.366	S	S	*	.			trans	-76.8	123.7	-179	44.3	0	0	0	0	111.7	N1195	T1193-N1195 PolarHBondContact O-N 3.2Å
1194	S	55.2	Low	72.6	Confident	67 Å²	67	69 Å²	69	47%	0.469	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-5.3	-169.8	48.2	0	0	0	0	118.3	L1192 E1196 N1200	L1192-S1194 PolarHBondContact O-N 3.1Å; S1194-E1196 PolarHBondContact O-N 2.88Å; S1194-N1200 VanDerWaalsContact CA-OD1 3.26Å; S1194-N1200 WeakPolarHBondContact CA-OD1 3.42Å; S1194-N1200 WeakPolarHBondContact CB-OD1 3.28Å; S1194-N1200 PolarHBondContact O-OD1 2.75Å
1195	N	55.3	Low	72.6	Confident	141 Å²	141	69.8 Å²	69.8	75%	0.754	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.4	-159.4	-66.3	1.6	0	0	0	114.7	T1193	T1193-N1195 PolarHBondContact O-N 3.2Å
1196	E	55.1	Low	72.3	Confident	186 Å²	186	65.1 Å²	65.1	87%	0.869	34%	0.336	S	S	*	.	S	Bend	trans	-128.4	-0.4	-167.2	-63.8	177.7	168.9	0	0	114.1	S1194	S1194-E1196 PolarHBondContact O-N 2.88Å
1197	R	60.9	Low	72.1	Confident	105 Å²	105	72.5 Å²	72.5	40%	0.396	37%	0.366	S	S	.	.			trans	-117.7	140.1	-178.3	-60.2	-168.8	-174.7	-151.7	1.2	111.5	L1187 Y1199	L1187-R1197 PolarHBondContact O-NH1 2.7Å; R1197-Y1199 PolarHBondContact O-N 2.96Å
1198	E	75.6	Confident	71.5	Confident	121 Å²	121	79.8 Å²	79.8	57%	0.565	40%	0.399	S	S	*	.	S	Bend	trans	-58.9	-34.3	174.1	-58.5	-170.2	162	0	0	112.5	K1218	E1198-K1218 HydrophobicContact CB-CD 4.18Å; E1198-K1218 HydrophobicContact CB-CG 4.36Å; E1198-K1218 WeakPolarHBondContact O-CA 3.49Å; E1198-K1218 WeakPolarHBondContact OE2-CE 3.29Å; E1198-K1218 IonicContact OE2-NZ 3.92Å; E1198-K1218 PolarHBondContact OE2-NZ 2.83Å
1199	Y	82.2	Confident	70.9	Confident	20 Å²	20	82 Å²	82	8%	0.078	42%	0.415	C	S	.	.			trans	-101.1	112.3	-172.9	-76.8	-79.2	0	0	0	112	F1161 L1187 T1188 R1197 L1216 K1218 D1225 Y1229	F1161-Y1199 HydrophobicContact CD1-CE1 4.05Å; F1161-Y1199 HydrophobicContact CE1-CD1 4.25Å; F1161-Y1199 AromaticContact CE1-CE1 3.69Å; F1161-Y1199 HydrophobicContact CE1-CE1 3.69Å; F1161-Y1199 HydrophobicContact CE2-CE1 4.46Å; F1161-Y1199 AromaticContact CZ-CE1 3.91Å; F1161-Y1199 HydrophobicContact CZ-CE1 3.91Å; L1187-Y1199 HydrophobicContact CD1-CD1 4.49Å; L1187-Y1199 HydrophobicContact CD1-CD2 4.44Å; L1187-Y1199 HydrophobicContact CD1-CG 4.42Å; L1187-Y1199 HydrophobicContact CD2-CD2 4.13Å; L1187-Y1199 HydrophobicContact CD2-CE2 4.21Å; T1188-Y1199 VanDerWaalsContact CB-O 3.27Å; T1188-Y1199 WeakPolarHBondContact CB-O 2.99Å; T1188-Y1199 WeakPolarHBondContact CG2-O 3.44Å; T1188-Y1199 PolarHBondContact OG1-O 3.18Å; R1197-Y1199 PolarHBondContact O-N 2.96Å; Y1199-L1216 HydrophobicContact CD1-CD1 4.01Å; Y1199-L1216 HydrophobicContact CD1-CD2 4Å; Y1199-L1216 HydrophobicContact CD1-CG 3.94Å; Y1199-L1216 HydrophobicContact CE1-CD2 4.32Å; Y1199-L1216 HydrophobicContact CG-CD1 4.49Å; Y1199-K1218 HydrophobicContact CD1-CB 3.87Å; Y1199-K1218 HydrophobicContact CD1-CD 4.38Å; Y1199-K1218 HydrophobicContact CD2-CD 4.33Å; Y1199-K1218 HydrophobicContact CE1-CB 3.87Å; Y1199-K1218 HydrophobicContact CE1-CD 3.84Å; Y1199-K1218 HydrophobicContact CE2-CD 3.77Å; Y1199-K1218 HydrophobicContact CG-CB 4.44Å; Y1199-D1225 PolarHBondContact OH-OD1 3.15Å; Y1199-Y1229 HydrophobicContact CE1-CE1 4.19Å; Y1199-Y1229 PolarHBondContact OH-OH 3.11Å
1200	N	81.4	Confident	70.3	Confident	55 Å²	55	87.4 Å²	87.4	29%	0.294	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.9	178.5	-78.7	-65.3	0	0	0	111.7	S1194 S1217	S1194-N1200 VanDerWaalsContact CA-OD1 3.26Å; S1194-N1200 WeakPolarHBondContact CA-OD1 3.42Å; S1194-N1200 WeakPolarHBondContact CB-OD1 3.28Å; S1194-N1200 PolarHBondContact O-OD1 2.75Å; N1200-S1217 PolarHBondContact N-O 3.25Å; N1200-S1217 PolarHBondContact O-N 3.1Å; N1200-S1217 PolarHBondContact O-OG 3.09Å
1201	C	83.5	Confident	70	Confident	21 Å²	21	89.9 Å²	89.9	14%	0.142	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.3	173.2	-174.6	0	0	0	0	110.2	T1188 K1215	T1188-C1201 HydrophobicContact CG2-CB 4.12Å; C1201-K1215 CarbonylContact C-O 3.49Å; C1201-K1215 WeakPolarHBondContact CA-O 3.37Å
1202	S	80.2	Confident	70.1	Confident	43 Å²	43	91.4 Å²	91.4	30%	0.301	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.6	178.6	56.7	0	0	0	0	111.5	K1215	S1202-K1215 PolarHBondContact N-O 2.95Å; S1202-K1215 PolarHBondContact O-N 2.95Å
1203	F	80.2	Confident	70.7	Confident	76 Å²	76	91.1 Å²	91.1	33%	0.333	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.5	172.4	-62	-69.7	0	0	0	110.4	I1167 V1178 N1190 M1212 M1213 T1214	I1167-F1203 HydrophobicContact CD1-CD1 4.17Å; I1167-F1203 HydrophobicContact CD1-CE1 3.85Å; V1178-F1203 HydrophobicContact CB-CE1 4.5Å; V1178-F1203 HydrophobicContact CG2-CE1 3.7Å; V1178-F1203 HydrophobicContact CG2-CZ 3.91Å; N1190-F1203 HydrophobicContact CB-CE2 3.82Å; N1190-F1203 HydrophobicContact CB-CZ 3.85Å; N1190-F1203 WeakPolarHBondContact ND2-CE2 3.08Å; N1190-F1203 WeakPolarHBondContact ND2-CZ 3.21Å; F1203-M1212 HydrophobicContact CB-CE 3.88Å; F1203-M1212 HydrophobicContact CD1-CE 3.49Å; F1203-M1212 VanDerWaalsContact CD1-CE 3.49Å; F1203-M1212 HydrophobicContact CD1-CG 4.38Å; F1203-M1212 HydrophobicContact CD2-CE 3.83Å; F1203-M1212 HydrophobicContact CE1-CE 3.82Å; F1203-M1212 HydrophobicContact CE2-CE 4.14Å; F1203-M1212 HydrophobicContact CG-CE 3.47Å; F1203-M1212 VanDerWaalsContact CG-CE 3.47Å; F1203-M1212 HydrophobicContact CZ-CE 4.13Å; F1203-M1213 WeakPolarHBondContact CA-O 3.38Å; F1203-T1214 HydrophobicContact CD1-CG2 4.15Å; F1203-T1214 HydrophobicContact CE1-CG2 3.96Å
1204	E	76.1	Confident	71.9	Confident	67 Å²	67	86 Å²	86	31%	0.313	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	170.1	-72.9	-174.7	179.9	0	0	109.3	K1164 M1213 K1215	K1164-E1204 WeakPolarHBondContact CE-OE2 3.35Å; K1164-E1204 IonicContact NZ-OE1 2.74Å; K1164-E1204 IonicContact NZ-OE2 2.69Å; K1164-E1204 PolarHBondContact NZ-OE2 2.61Å; E1204-M1213 PolarHBondContact N-O 3.18Å; E1204-M1213 WeakPolarHBondContact O-CA 3.43Å; E1204-M1213 VanDerWaalsContact O-CB 3.29Å; E1204-M1213 WeakPolarHBondContact O-CB 3.49Å; E1204-M1213 PolarHBondContact O-N 2.89Å; E1204-K1215 HydrophobicContact CG-CD 4.1Å; E1204-K1215 WeakPolarHBondContact OE1-CD 3.31Å; E1204-K1215 WeakPolarHBondContact OE1-CE 3.43Å; E1204-K1215 IonicContact OE1-NZ 3.79Å; E1204-K1215 PolarHBondContact OE1-NZ 3.26Å
1205	L	73	Confident	73.2	Confident	104 Å²	104	84.2 Å²	84.2	55%	0.545	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.5	176	-135.4	168.4	0	0	0	109.1	K1207	L1205-K1207 PolarHBondContact O-N 3.36Å; L1205-K1207 VanDerWaalsContact O-N 3.14Å
1206	N	72.2	Confident	74.8	Confident	52 Å²	52	77.5 Å²	77.5	28%	0.278	38%	0.376	S	S	.	.			trans	-71.5	109	-176.3	-177	-6.4	0	0	0	110.4	Q1208 S1209 N1210 E1211 M1213	N1206-Q1208 PolarHBondContact O-N 3.11Å; N1206-Q1208 PolarHBondContact OD1-N 3.47Å; N1206-S1209 PolarHBondContact ND2-OG 2.92Å; N1206-S1209 VanDerWaalsContact ND2-OG 3.08Å; N1206-N1210 WeakPolarHBondContact O-CA 3.47Å; N1206-N1210 PolarHBondContact O-N 2.88Å; N1206-E1211 PolarHBondContact N-O 3.45Å; N1206-M1213 HydrophobicContact CB-CG 3.92Å; N1206-M1213 HydrophobicContact CB-SD 4.47Å
1207	K	73.5	Confident	76.2	Confident	203 Å²	203	69.9 Å²	69.9	88%	0.883	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.8	-178.5	-63.7	-179.6	-178.5	174.9	0	114.9	L1205	L1205-K1207 PolarHBondContact O-N 3.36Å; L1205-K1207 VanDerWaalsContact O-N 3.14Å
1208	Q	66.3	Low	77.3	Confident	188 Å²	188	66.2 Å²	66.2	88%	0.879	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-46.6	-179.1	-68.9	-175.2	-13	0	0	113.3	N1206	N1206-Q1208 PolarHBondContact O-N 3.11Å; N1206-Q1208 PolarHBondContact OD1-N 3.47Å
1209	S	67.9	Low	77.5	Confident	52 Å²	52	66.3 Å²	66.3	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-13.6	177	61	0	0	0	0	113.8	N1206 E1211	N1206-S1209 PolarHBondContact ND2-OG 2.92Å; N1206-S1209 VanDerWaalsContact ND2-OG 3.08Å; S1209-E1211 WeakPolarHBondContact CB-OE2 3.32Å; S1209-E1211 PolarHBondContact O-N 2.95Å; S1209-E1211 WeakPolarHBondContact OG-CB 3.42Å; S1209-E1211 VanDerWaalsContact OG-CD 3.29Å; S1209-E1211 WeakPolarHBondContact OG-CG 3.43Å; S1209-E1211 PolarHBondContact OG-N 2.65Å; S1209-E1211 PolarHBondContact OG-OE2 2.65Å
1210	N	66.4	Low	77.4	Confident	115 Å²	115	67.8 Å²	67.8	62%	0.615	35%	0.353	S	S	*	.			trans	63.5	15.9	-171.8	-145.4	39.5	0	0	0	114	N1206	N1206-N1210 WeakPolarHBondContact O-CA 3.47Å; N1206-N1210 PolarHBondContact O-N 2.88Å
1211	E	69.5	Low	77.4	Confident	98 Å²	98	65.3 Å²	65.3	46%	0.458	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-84.9	151.5	177.1	-63.1	161.5	148.5	0	0	111.4	N1206 S1209	N1206-E1211 PolarHBondContact N-O 3.45Å; S1209-E1211 WeakPolarHBondContact CB-OE2 3.32Å; S1209-E1211 PolarHBondContact O-N 2.95Å; S1209-E1211 WeakPolarHBondContact OG-CB 3.42Å; S1209-E1211 VanDerWaalsContact OG-CD 3.29Å; S1209-E1211 WeakPolarHBondContact OG-CG 3.43Å; S1209-E1211 PolarHBondContact OG-N 2.65Å; S1209-E1211 PolarHBondContact OG-OE2 2.65Å
1212	M	72.6	Confident	77.3	Confident	64 Å²	64	65.4 Å²	65.4	32%	0.315	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.7	173.9	-168.7	163.6	173	0	0	109.3	I1167 F1203	I1167-M1212 HydrophobicContact CD1-CB 4.3Å; I1167-M1212 HydrophobicContact CD1-CG 3.95Å; I1167-M1212 HydrophobicContact CD1-SD 4.41Å; I1167-M1212 WeakPolarHBondContact CG1-O 3.37Å; I1167-M1212 PolarHBondContact N-O 3.15Å; F1203-M1212 HydrophobicContact CB-CE 3.88Å; F1203-M1212 HydrophobicContact CD1-CE 3.49Å; F1203-M1212 VanDerWaalsContact CD1-CE 3.49Å; F1203-M1212 HydrophobicContact CD1-CG 4.38Å; F1203-M1212 HydrophobicContact CD2-CE 3.83Å; F1203-M1212 HydrophobicContact CE1-CE 3.82Å; F1203-M1212 HydrophobicContact CE2-CE 4.14Å; F1203-M1212 HydrophobicContact CG-CE 3.47Å; F1203-M1212 VanDerWaalsContact CG-CE 3.47Å; F1203-M1212 HydrophobicContact CZ-CE 4.13Å
1213	M	79	Confident	77.1	Confident	28 Å²	28	66.2 Å²	66.2	14%	0.138	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.4	178.2	-54.3	-77.7	-66.9	0	0	109.9	K1164 I1165 P1166 F1203 E1204 N1206	K1164-M1213 HydrophobicContact CB-CE 3.78Å; I1165-M1213 CarbonylContact O-C 3.56Å; I1165-M1213 VanDerWaalsContact O-CA 3.26Å; I1165-M1213 WeakPolarHBondContact O-CA 3.11Å; P1166-M1213 HydrophobicContact CB-SD 3.73Å; P1166-M1213 HydrophobicContact CG-SD 4.49Å; F1203-M1213 WeakPolarHBondContact CA-O 3.38Å; E1204-M1213 PolarHBondContact N-O 3.18Å; E1204-M1213 WeakPolarHBondContact O-CA 3.43Å; E1204-M1213 VanDerWaalsContact O-CB 3.29Å; E1204-M1213 WeakPolarHBondContact O-CB 3.49Å; E1204-M1213 PolarHBondContact O-N 2.89Å; N1206-M1213 HydrophobicContact CB-CG 3.92Å; N1206-M1213 HydrophobicContact CB-SD 4.47Å
1214	T	83.6	Confident	77	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.6	161	59.2	0	0	0	0	108.7	K1164 I1165 I1167 V1178 F1203 T1233	K1164-T1214 CarbonylContact C-O 3.58Å; K1164-T1214 VanDerWaalsContact CA-O 3.28Å; K1164-T1214 WeakPolarHBondContact CA-O 3.32Å; I1165-T1214 PolarHBondContact N-O 3.38Å; I1165-T1214 PolarHBondContact O-N 3.03Å; I1165-T1214 PolarHBondContact O-OG1 2.95Å; I1167-T1214 HydrophobicContact CD1-CG2 3.73Å; I1167-T1214 HydrophobicContact CG1-CG2 3.65Å; V1178-T1214 HydrophobicContact CB-CG2 4.25Å; V1178-T1214 HydrophobicContact CG1-CG2 3.7Å; V1178-T1214 HydrophobicContact CG2-CG2 3.75Å; F1203-T1214 HydrophobicContact CD1-CG2 4.15Å; F1203-T1214 HydrophobicContact CE1-CG2 3.96Å; T1214-T1233 HydrophobicContact CG2-CG2 4.48Å
1215	K	83.4	Confident	77.4	Confident	29 Å²	29	65 Å²	65	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.3	177.1	173.4	178.6	177.8	178.6	0	109.8	L1163 K1164 C1201 S1202 E1204	L1163-K1215 VanDerWaalsContact O-CA 3.3Å; L1163-K1215 WeakPolarHBondContact O-CA 3.48Å; K1164-K1215 HydrophobicContact CG-CB 4.36Å; K1164-K1215 HydrophobicContact CG-CG 4.26Å; C1201-K1215 CarbonylContact C-O 3.49Å; C1201-K1215 WeakPolarHBondContact CA-O 3.37Å; S1202-K1215 PolarHBondContact N-O 2.95Å; S1202-K1215 PolarHBondContact O-N 2.95Å; E1204-K1215 HydrophobicContact CG-CD 4.1Å; E1204-K1215 WeakPolarHBondContact OE1-CD 3.31Å; E1204-K1215 WeakPolarHBondContact OE1-CE 3.43Å; E1204-K1215 IonicContact OE1-NZ 3.79Å; E1204-K1215 PolarHBondContact OE1-NZ 3.26Å
1216	L	87.6	Confident	77.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.3	164.9	-173.8	65.5	0	0	0	108.1	F1161 Q1162 L1163 W1180 L1187 T1188 Y1199 Y1229	F1161-L1216 HydrophobicContact CE1-CD2 3.97Å; F1161-L1216 HydrophobicContact CE1-CG 4.07Å; F1161-L1216 HydrophobicContact CZ-CD2 4.44Å; Q1162-L1216 WeakPolarHBondContact CA-O 3.04Å; L1163-L1216 HydrophobicContact CB-CB 4.36Å; L1163-L1216 HydrophobicContact CD1-CD2 4.42Å; L1163-L1216 PolarHBondContact N-O 2.83Å; L1163-L1216 PolarHBondContact O-N 2.87Å; W1180-L1216 HydrophobicContact CB-CD1 4.31Å; W1180-L1216 HydrophobicContact CB-CD2 4.34Å; W1180-L1216 HydrophobicContact CD2-CB 3.93Å; W1180-L1216 HydrophobicContact CD2-CD1 4.31Å; W1180-L1216 HydrophobicContact CD2-CD2 3.87Å; W1180-L1216 HydrophobicContact CD2-CG 4.26Å; W1180-L1216 HydrophobicContact CE3-CB 4.18Å; W1180-L1216 HydrophobicContact CE3-CD2 3.69Å; W1180-L1216 HydrophobicContact CE3-CG 4.47Å; W1180-L1216 HydrophobicContact CG-CB 4.48Å; W1180-L1216 HydrophobicContact CG-CD1 4.02Å; W1180-L1216 HydrophobicContact CG-CD2 4.18Å; W1180-L1216 HydrophobicContact CG-CG 4.47Å; W1180-L1216 HydrophobicContact CH2-CB 3.98Å; W1180-L1216 HydrophobicContact CZ2-CB 3.77Å; W1180-L1216 HydrophobicContact CZ3-CB 4.2Å; W1180-L1216 HydrophobicContact CZ3-CD2 4.17Å; L1187-L1216 HydrophobicContact CD1-CD2 4.32Å; T1188-L1216 HydrophobicContact CG2-CD1 3.33Å; Y1199-L1216 HydrophobicContact CD1-CD1 4.01Å; Y1199-L1216 HydrophobicContact CD1-CD2 4Å; Y1199-L1216 HydrophobicContact CD1-CG 3.94Å; Y1199-L1216 HydrophobicContact CE1-CD2 4.32Å; Y1199-L1216 HydrophobicContact CG-CD1 4.49Å; L1216-Y1229 HydrophobicContact CD2-CD1 3.79Å; L1216-Y1229 HydrophobicContact CD2-CE1 4.02Å
1217	S	84.5	Confident	78.4	Confident	27 Å²	27	60.6 Å²	60.6	19%	0.189	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.9	178.2	51	0	0	0	0	113.4	F1161 N1200	F1161-S1217 WeakPolarHBondContact O-CA 3.33Å; F1161-S1217 WeakPolarHBondContact O-CB 3.46Å; N1200-S1217 PolarHBondContact N-O 3.25Å; N1200-S1217 PolarHBondContact O-N 3.1Å; N1200-S1217 PolarHBondContact O-OG 3.09Å
1218	K	84.2	Confident	79	Confident	27 Å²	27	53.7 Å²	53.7	12%	0.117	31%	0.307	C	S	.	.			trans	-127.9	157.7	175.7	162.8	173.9	168.1	168.3	0	108.3	F1161 E1198 Y1199 S1220 D1225	F1161-K1218 HydrophobicContact CB-CB 3.97Å; F1161-K1218 HydrophobicContact CD1-CB 4.12Å; F1161-K1218 HydrophobicContact CG-CB 4.2Å; F1161-K1218 PolarHBondContact O-N 3.35Å; F1161-K1218 VanDerWaalsContact O-N 3.15Å; E1198-K1218 HydrophobicContact CB-CD 4.18Å; E1198-K1218 HydrophobicContact CB-CG 4.36Å; E1198-K1218 WeakPolarHBondContact O-CA 3.49Å; E1198-K1218 WeakPolarHBondContact OE2-CE 3.29Å; E1198-K1218 IonicContact OE2-NZ 3.92Å; E1198-K1218 PolarHBondContact OE2-NZ 2.83Å; Y1199-K1218 HydrophobicContact CD1-CB 3.87Å; Y1199-K1218 HydrophobicContact CD1-CD 4.38Å; Y1199-K1218 HydrophobicContact CD2-CD 4.33Å; Y1199-K1218 HydrophobicContact CE1-CB 3.87Å; Y1199-K1218 HydrophobicContact CE1-CD 3.84Å; Y1199-K1218 HydrophobicContact CE2-CD 3.77Å; Y1199-K1218 HydrophobicContact CG-CB 4.44Å; K1218-S1220 VanDerWaalsContact C-N 3.34Å; K1218-S1220 WeakPolarHBondContact CE-O 3.32Å; K1218-S1220 PolarHBondContact O-N 2.99Å; K1218-D1225 WeakPolarHBondContact CE-OD2 3.3Å; K1218-D1225 VanDerWaalsContact NZ-CG 3.32Å; K1218-D1225 IonicContact NZ-OD1 2.61Å; K1218-D1225 PolarHBondContact NZ-OD1 3.11Å; K1218-D1225 IonicContact NZ-OD2 2.65Å; K1218-D1225 PolarHBondContact NZ-OD2 3.07Å; K1218-D1225 VanDerWaalsContact NZ-OD2 3.07Å
1219	T	80	Confident	80	Confident	124 Å²	124	44.8 Å²	44.8	76%	0.761	27%	0.265	S	S	*	.	S	Bend	trans	-65.8	-32.5	-169.1	47	0	0	0	0	114.7
1220	S	80	Confident	80.9	Confident	51 Å²	51	43.8 Å²	43.8	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-159.4	137.9	-173	46.8	0	0	0	0	108.7	K1218	K1218-S1220 VanDerWaalsContact C-N 3.34Å; K1218-S1220 WeakPolarHBondContact CE-O 3.32Å; K1218-S1220 PolarHBondContact O-N 2.99Å
1221	T	82.3	Confident	81.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	23%	0.225	C	C	.	.			trans	-83.9	114	-177.9	-55.2	0	0	0	0	110.5	L1155 D1158 D1159 F1161 D1225 V1252	L1155-T1221 HydrophobicContact CB-CG2 4.1Å; L1155-T1221 HydrophobicContact CD1-CG2 4.12Å; D1158-T1221 PolarHBondContact N-O 2.96Å; D1159-T1221 VanDerWaalsContact O-CB 3.29Å; D1159-T1221 WeakPolarHBondContact O-CB 3.45Å; D1159-T1221 PolarHBondContact O-N 2.86Å; D1159-T1221 PolarHBondContact O-OG1 3.34Å; F1161-T1221 WeakPolarHBondContact CA-OG1 3.29Å; F1161-T1221 WeakPolarHBondContact CB-OG1 3.44Å; F1161-T1221 HydrophobicContact CD2-CG2 4.24Å; F1161-T1221 PolarHBondContact N-OG1 2.86Å; T1221-D1225 HydrophobicContact CG2-CB 4.45Å; T1221-V1252 HydrophobicContact CG2-CB 4.35Å; T1221-V1252 HydrophobicContact CG2-CG1 3.81Å; T1221-V1252 HydrophobicContact CG2-CG2 3.55Å
1222	G	80.4	Confident	82.6	Confident	24 Å²	24	33.9 Å²	33.9	25%	0.247	20%	0.204	C	C	.	.			trans	-89.7	158.8	169.8	0	0	0	0	0	112.1	T1224 D1225	G1222-T1224 PolarHBondContact O-N 3.42Å; G1222-D1225 PolarHBondContact N-OD2 3.42Å; G1222-D1225 VanDerWaalsContact O-CB 3.32Å; G1222-D1225 WeakPolarHBondContact O-CB 3.46Å; G1222-D1225 PolarHBondContact O-N 3.16Å
1223	T	75.7	Confident	83	Confident	59 Å²	59	31.2 Å²	31.2	36%	0.362	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.4	-27.5	173.8	20.9	0	0	0	0	113.8	E1157 D1225 S1226 Q1254	E1157-T1223 WeakPolarHBondContact OE1-CG2 3.25Å; E1157-T1223 PolarHBondContact OE1-OG1 3.32Å; E1157-T1223 VanDerWaalsContact OE1-OG1 3.11Å; T1223-D1225 PolarHBondContact O-N 2.92Å; T1223-S1226 PolarHBondContact O-OG 2.99Å; T1223-Q1254 HydrophobicContact CG2-CG 3.65Å
1224	T	79.4	Confident	83	Confident	111 Å²	111	29.9 Å²	29.9	68%	0.681	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-67.8	-17.8	171.1	52.6	0	0	0	0	114.1	G1222 S1226	G1222-T1224 PolarHBondContact O-N 3.42Å; T1224-S1226 PolarHBondContact O-N 3.45Å
1225	D	83.3	Confident	82.5	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-82.6	8.7	-179.6	-56.7	-32.3	0	0	0	112.3	F1161 Y1199 K1218 T1221 G1222 T1223 Y1229	F1161-D1225 HydrophobicContact CD2-CB 4.19Å; F1161-D1225 HydrophobicContact CE2-CB 4.07Å; Y1199-D1225 PolarHBondContact OH-OD1 3.15Å; K1218-D1225 WeakPolarHBondContact CE-OD2 3.3Å; K1218-D1225 VanDerWaalsContact NZ-CG 3.32Å; K1218-D1225 IonicContact NZ-OD1 2.61Å; K1218-D1225 PolarHBondContact NZ-OD1 3.11Å; K1218-D1225 IonicContact NZ-OD2 2.65Å; K1218-D1225 PolarHBondContact NZ-OD2 3.07Å; K1218-D1225 VanDerWaalsContact NZ-OD2 3.07Å; T1221-D1225 HydrophobicContact CG2-CB 4.45Å; G1222-D1225 PolarHBondContact N-OD2 3.42Å; G1222-D1225 VanDerWaalsContact O-CB 3.32Å; G1222-D1225 WeakPolarHBondContact O-CB 3.46Å; G1222-D1225 PolarHBondContact O-N 3.16Å; T1223-D1225 PolarHBondContact O-N 2.92Å; D1225-Y1229 WeakPolarHBondContact O-CE2 3.3Å; D1225-Y1229 PolarHBondContact O-OH 3.02Å
1226	S	80.8	Confident	81.8	Confident	51 Å²	51	29.7 Å²	29.7	36%	0.357	19%	0.186	S	C	.	.			trans	-76.8	156.2	165.9	62.3	0	0	0	0	111.5	H1182 T1223 T1224	H1182-S1226 PolarHBondContact NE2-O 3.45Å; T1223-S1226 PolarHBondContact O-OG 2.99Å; T1224-S1226 PolarHBondContact O-N 3.45Å
1227	G	86.4	Confident	80.9	Confident	13 Å²	13	31.5 Å²	31.5	13%	0.134	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.9	-155.2	179.9	0	0	0	0	0	113.8	E1183 R1249 V1250	E1183-G1227 WeakPolarHBondContact OE1-CA 3.46Å; G1227-R1249 WeakPolarHBondContact O-CA 2.98Å; G1227-V1250 PolarHBondContact N-O 3Å; G1227-V1250 VanDerWaalsContact N-O 3.09Å; G1227-V1250 PolarHBondContact O-N 3.29Å
1228	I	85.5	Confident	80	Confident	57 Å²	57	31.7 Å²	31.7	29%	0.292	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.4	179.5	-56.9	177.7	0	0	0	110.2	H1182 E1183	H1182-I1228 WeakPolarHBondContact CA-O 3.42Å; E1183-I1228 PolarHBondContact N-O 3.29Å
1229	Y	88.2	Confident	79.2	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127	171.4	-64.7	-105.3	0	0	0	108.9	F1161 L1163 T1181 H1182 L1187 Y1199 L1216 D1225 V1248 V1250	F1161-Y1229 HydrophobicContact CE2-CE2 4.47Å; F1161-Y1229 AromaticContact CE2-CZ 4Å; F1161-Y1229 AromaticContact CZ-CE1 3.81Å; F1161-Y1229 HydrophobicContact CZ-CE1 3.81Å; F1161-Y1229 HydrophobicContact CZ-CE2 4.25Å; F1161-Y1229 AromaticContact CZ-CZ 3.66Å; L1163-Y1229 HydrophobicContact CD1-CD1 4.18Å; L1163-Y1229 HydrophobicContact CD1-CD2 4.14Å; L1163-Y1229 HydrophobicContact CD1-CG 3.89Å; T1181-Y1229 CarbonylContact O-C 3.37Å; T1181-Y1229 WeakPolarHBondContact O-CA 3.3Å; H1182-Y1229 HydrophobicContact CB-CD1 3.95Å; H1182-Y1229 HydrophobicContact CB-CE1 3.97Å; H1182-Y1229 HydrophobicContact CB-CG 4.39Å; H1182-Y1229 AromaticContact CD2-CD2 3.84Å; H1182-Y1229 AromaticContact CD2-CE2 3.48Å; H1182-Y1229 VanDerWaalsContact CD2-CE2 3.48Å; H1182-Y1229 WeakPolarHBondContact CD2-CE2 3.32Å; H1182-Y1229 AromaticContact CD2-CZ 3.57Å; L1187-Y1229 HydrophobicContact CD1-CD1 3.79Å; L1187-Y1229 HydrophobicContact CD1-CE1 3.61Å; Y1199-Y1229 HydrophobicContact CE1-CE1 4.19Å; Y1199-Y1229 PolarHBondContact OH-OH 3.11Å; L1216-Y1229 HydrophobicContact CD2-CD1 3.79Å; L1216-Y1229 HydrophobicContact CD2-CE1 4.02Å; D1225-Y1229 WeakPolarHBondContact O-CE2 3.3Å; D1225-Y1229 PolarHBondContact O-OH 3.02Å; Y1229-V1248 PolarHBondContact N-O 3.09Å; Y1229-V1248 PolarHBondContact O-N 2.87Å; Y1229-V1250 HydrophobicContact CD2-CB 4.12Å; Y1229-V1250 HydrophobicContact CD2-CG2 3.5Å; Y1229-V1250 HydrophobicContact CE2-CB 3.86Å; Y1229-V1250 HydrophobicContact CE2-CG2 3.6Å
1230	K	86.8	Confident	78.4	Confident	32 Å²	32	38.9 Å²	38.9	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.6	169.8	-42.3	174.9	176.2	167.6	0	108.4	E1131 T1181 D1184 W1232	E1131-K1230 IonicContact OE1-NZ 2.83Å; E1131-K1230 PolarHBondContact OE1-NZ 3.5Å; T1181-K1230 PolarHBondContact N-O 2.79Å; T1181-K1230 PolarHBondContact O-N 3Å; T1181-K1230 WeakPolarHBondContact OG1-CB 3.41Å; T1181-K1230 PolarHBondContact OG1-O 3.29Å; D1184-K1230 VanDerWaalsContact OD1-CE 3.25Å; D1184-K1230 WeakPolarHBondContact OD1-CE 3.44Å; D1184-K1230 IonicContact OD1-NZ 3.29Å; D1184-K1230 PolarHBondContact OD1-NZ 2.84Å; D1184-K1230 IonicContact OD2-NZ 2.59Å; K1230-W1232 HydrophobicContact CB-CZ2 4.2Å; K1230-W1232 HydrophobicContact CD-CH2 4.42Å; K1230-W1232 HydrophobicContact CD-CZ2 3.58Å
1231	C	86	Confident	77.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.5	172.8	-176.9	0	0	0	0	108.9	I1165 W1180 C1245 T1246	I1165-C1231 HydrophobicContact CD1-CB 3.46Å; I1165-C1231 VanDerWaalsContact CD1-CB 3.46Å; W1180-C1231 HydrophobicContact CD2-CB 4.06Å; W1180-C1231 HydrophobicContact CE3-CB 3.84Å; W1180-C1231 HydrophobicContact CH2-CB 3.93Å; W1180-C1231 HydrophobicContact CZ2-CB 4.07Å; W1180-C1231 HydrophobicContact CZ3-CB 3.79Å; C1231-C1245 CarbonylContact O-C 3.56Å; C1231-C1245 WeakPolarHBondContact O-CA 3.48Å; C1231-T1246 PolarHBondContact N-O 2.78Å; C1231-T1246 PolarHBondContact O-N 2.65Å
1232	W	84.8	Confident	77.3	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	178.5	-50.8	86.2	0	0	0	108.6	L1130 E1131 F1134 V1178 W1179 T1181 K1230 V1243 Q1244 C1245	L1130-W1232 HydrophobicContact CB-CD2 4.03Å; L1130-W1232 HydrophobicContact CB-CE3 4.11Å; L1130-W1232 HydrophobicContact CB-CG 4.39Å; L1130-W1232 HydrophobicContact CD1-CB 4.3Å; L1130-W1232 HydrophobicContact CD1-CD2 4.35Å; L1130-W1232 HydrophobicContact CD1-CG 3.92Å; L1130-W1232 HydrophobicContact CD2-CB 4.5Å; E1131-W1232 HydrophobicContact CG-CH2 3.61Å; E1131-W1232 HydrophobicContact CG-CZ2 4.21Å; E1131-W1232 HydrophobicContact CG-CZ3 4.41Å; F1134-W1232 HydrophobicContact CB-CE3 4.42Å; F1134-W1232 HydrophobicContact CB-CZ3 3.84Å; F1134-W1232 HydrophobicContact CD1-CZ3 4Å; F1134-W1232 AromaticContact CG-CZ3 3.93Å; F1134-W1232 HydrophobicContact CG-CZ3 3.93Å; V1178-W1232 WeakPolarHBondContact CA-O 3.5Å; W1179-W1232 HydrophobicContact CB-CB 4.26Å; W1179-W1232 PolarHBondContact N-O 2.92Å; W1179-W1232 PolarHBondContact O-N 3.03Å; T1181-W1232 PolarHBondContact OG1-NE1 3.47Å; K1230-W1232 HydrophobicContact CB-CZ2 4.2Å; K1230-W1232 HydrophobicContact CD-CH2 4.42Å; K1230-W1232 HydrophobicContact CD-CZ2 3.58Å; W1232-V1243 HydrophobicContact CE3-CG1 4.21Å; W1232-Q1244 CarbonylContact C-O 3.52Å; W1232-Q1244 WeakPolarHBondContact CA-O 3.33Å; W1232-C1245 HydrophobicContact CD2-CB 4.23Å; W1232-C1245 HydrophobicContact CE3-CB 3.56Å; W1232-C1245 HydrophobicContact CH2-CB 4.16Å; W1232-C1245 VanDerWaalsContact CH2-SG 3.53Å; W1232-C1245 HydrophobicContact CZ3-CB 3.52Å; W1232-C1245 WeakPolarHBondContact CZ3-SG 3.21Å
1233	T	80.6	Confident	77.1	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.7	173.7	64.2	0	0	0	0	108.3	I1167 V1178 T1214 V1243 Q1244	I1167-T1233 HydrophobicContact CG1-CG2 4.43Å; V1178-T1233 HydrophobicContact CG1-CG2 4.39Å; V1178-T1233 HydrophobicContact CG2-CG2 4.03Å; T1214-T1233 HydrophobicContact CG2-CG2 4.48Å; T1233-V1243 WeakPolarHBondContact O-CA 3.32Å; T1233-Q1244 PolarHBondContact N-O 3.43Å; T1233-Q1244 PolarHBondContact O-N 2.85Å
1234	V	79.8	Confident	77.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.8	179.7	-176.9	0	0	0	0	107.8	L1130 V1177 Q1236 V1243	L1130-V1234 HydrophobicContact CD2-CG2 4.14Å; V1177-V1234 HydrophobicContact CB-CB 4.37Å; V1177-V1234 PolarHBondContact N-O 3.32Å; V1177-V1234 PolarHBondContact O-N 2.81Å; V1234-Q1236 HydrophobicContact CG1-CG 4.24Å; V1234-V1243 HydrophobicContact CG1-CG2 4.21Å; V1234-V1243 HydrophobicContact CG2-CG1 4.21Å; V1234-V1243 HydrophobicContact CG2-CG2 4.11Å
1235	S	72.6	Confident	77.3	Confident	15 Å²	15	33.2 Å²	33.2	11%	0.105	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.6	167.5	61.3	0	0	0	0	108.9	N1241 A1242	S1235-N1241 WeakPolarHBondContact O-CA 3.47Å; S1235-A1242 PolarHBondContact N-O 2.77Å; S1235-A1242 PolarHBondContact O-N 3.41Å; S1235-A1242 PolarHBondContact OG-O 3.34Å
1236	Q	68.9	Low	77.3	Confident	11 Å²	11	33.9 Å²	33.9	5%	0.051	19%	0.185	C	C	.	.			trans	-98.7	141.7	172	-65.7	-168.7	49.5	0	0	110.5	G1030 K1031 T1086 T1087 N1088 V1234 N1241	G1030-Q1236 VanDerWaalsContact C-NE2 3.34Å; G1030-Q1236 VanDerWaalsContact CA-NE2 3.35Å; G1030-Q1236 WeakPolarHBondContact O-CG 3.43Å; G1030-Q1236 PolarHBondContact O-NE2 2.97Å; K1031-Q1236 PolarHBondContact O-OE1 3.12Å; T1086-Q1236 HydrophobicContact CG2-CB 3.82Å; T1087-Q1236 PolarHBondContact OG1-NE2 2.86Å; N1088-Q1236 VanDerWaalsContact OD1-CD 3.28Å; N1088-Q1236 WeakPolarHBondContact OD1-CG 3.32Å; N1088-Q1236 PolarHBondContact OD1-NE2 3.2Å; V1234-Q1236 HydrophobicContact CG1-CG 4.24Å; Q1236-N1241 VanDerWaalsContact CA-OD1 3.31Å; Q1236-N1241 WeakPolarHBondContact CA-OD1 3.13Å
1237	S	69.4	Low	77.4	Confident	38 Å²	38	33.4 Å²	33.4	27%	0.266	18%	0.178	S	C	.	.			trans	-150.2	159.9	162.2	78.4	0	0	0	0	109.8	K1239 D1240 N1241	S1237-K1239 PolarHBondContact O-N 2.65Å; S1237-D1240 PolarHBondContact N-O 2.63Å; S1237-D1240 PolarHBondContact OG-N 2.98Å; S1237-D1240 PolarHBondContact OG-O 2.87Å; S1237-N1241 PolarHBondContact N-OD1 2.95Å; S1237-N1241 VanDerWaalsContact N-OD1 3.08Å; S1237-N1241 PolarHBondContact O-OD1 2.6Å; S1237-N1241 VanDerWaalsContact O-OD1 3.1Å
1238	L	65.8	Low	77.3	Confident	31 Å²	31	32.9 Å²	32.9	16%	0.162	17%	0.172	C	C	.	.	S	Bend	trans	-60	-8.4	-179.2	-67.3	164.1	0	0	0	114.9	S1070 E1073 R1084	S1070-L1238 WeakPolarHBondContact O-CD1 3.47Å; E1073-L1238 HydrophobicContact CB-CD1 3.97Å; E1073-L1238 HydrophobicContact CB-CD2 3.86Å; E1073-L1238 HydrophobicContact CB-CG 4.44Å; R1084-L1238 HydrophobicContact CB-CD2 4.02Å
1239	K	65.5	Low	77.3	Confident	183 Å²	183	35 Å²	35	80%	0.796	18%	0.177	S	C	*	.	S	Bend	trans	-120.6	-51	-179.6	-63	-178.7	-178.4	178.3	0	111.7	S1237	S1237-K1239 PolarHBondContact O-N 2.65Å
1240	D	63.9	Low	77.2	Confident	118 Å²	118	35.1 Å²	35.1	63%	0.631	18%	0.178	S	C	*	.			trans	-125.6	105.3	-171.8	-53.6	-64.6	0	0	0	108.9	S1237	S1237-D1240 PolarHBondContact N-O 2.63Å; S1237-D1240 PolarHBondContact OG-N 2.98Å; S1237-D1240 PolarHBondContact OG-O 2.87Å
1241	N	67.8	Low	77.1	Confident	42 Å²	42	37.4 Å²	37.4	23%	0.225	19%	0.187	C	C	.	.			trans	-86.3	128	159.9	-80.1	16.7	0	0	0	107.7	G1030 S1235 Q1236 S1237	G1030-N1241 PolarHBondContact O-ND2 2.82Å; S1235-N1241 WeakPolarHBondContact O-CA 3.47Å; Q1236-N1241 VanDerWaalsContact CA-OD1 3.31Å; Q1236-N1241 WeakPolarHBondContact CA-OD1 3.13Å; S1237-N1241 PolarHBondContact N-OD1 2.95Å; S1237-N1241 VanDerWaalsContact N-OD1 3.08Å; S1237-N1241 PolarHBondContact O-OD1 2.6Å; S1237-N1241 VanDerWaalsContact O-OD1 3.1Å
1242	A	70.9	Confident	77	Confident	26 Å²	26	38.5 Å²	38.5	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.9	176.6	0	0	0	0	0	110.3	S1235	S1235-A1242 PolarHBondContact N-O 2.77Å; S1235-A1242 PolarHBondContact O-N 3.41Å; S1235-A1242 PolarHBondContact OG-O 3.34Å
1243	V	76.2	Confident	76.7	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.5	169.9	-174.5	0	0	0	0	108.6	E1133 F1134 C1137 W1232 T1233 V1234	E1133-V1243 HydrophobicContact CB-CG2 3.85Å; F1134-V1243 HydrophobicContact CB-CB 4.28Å; F1134-V1243 HydrophobicContact CB-CG1 4.04Å; F1134-V1243 HydrophobicContact CD2-CB 4.3Å; F1134-V1243 HydrophobicContact CD2-CG1 4.15Å; F1134-V1243 WeakPolarHBondContact CD2-O 3.37Å; C1137-V1243 PolarHBondContact SG-N 2.87Å; C1137-V1243 VanDerWaalsContact SG-N 3.37Å; W1232-V1243 HydrophobicContact CE3-CG1 4.21Å; T1233-V1243 WeakPolarHBondContact O-CA 3.32Å; V1234-V1243 HydrophobicContact CG1-CG2 4.21Å; V1234-V1243 HydrophobicContact CG2-CG1 4.21Å; V1234-V1243 HydrophobicContact CG2-CG2 4.11Å
1244	Q	77.8	Confident	76.3	Confident	46 Å²	46	49.3 Å²	49.3	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.9	166.3	-54	174.5	33	0	0	109.1	Q1168 W1232 T1233	Q1168-Q1244 PolarHBondContact O-NE2 3.01Å; W1232-Q1244 CarbonylContact C-O 3.52Å; W1232-Q1244 WeakPolarHBondContact CA-O 3.33Å; T1233-Q1244 PolarHBondContact N-O 3.43Å; T1233-Q1244 PolarHBondContact O-N 2.85Å
1245	C	82.3	Confident	75.3	Confident	6 Å²	6	54 Å²	54	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.4	176.3	-174.2	0	0	0	0	109.1	F1134 N1148 C1231 W1232	F1134-C1245 HydrophobicContact CD1-CB 4.27Å; F1134-C1245 HydrophobicContact CD2-CB 4.13Å; F1134-C1245 HydrophobicContact CE1-CB 3.96Å; F1134-C1245 HydrophobicContact CE2-CB 3.84Å; F1134-C1245 HydrophobicContact CG-CB 4.35Å; F1134-C1245 HydrophobicContact CZ-CB 3.74Å; N1148-C1245 PolarHBondContact ND2-O 3.19Å; N1148-C1245 PolarHBondContact OD1-O 3.09Å; C1231-C1245 CarbonylContact O-C 3.56Å; C1231-C1245 WeakPolarHBondContact O-CA 3.48Å; W1232-C1245 HydrophobicContact CD2-CB 4.23Å; W1232-C1245 HydrophobicContact CE3-CB 3.56Å; W1232-C1245 HydrophobicContact CH2-CB 4.16Å; W1232-C1245 VanDerWaalsContact CH2-SG 3.53Å; W1232-C1245 HydrophobicContact CZ3-CB 3.52Å; W1232-C1245 WeakPolarHBondContact CZ3-SG 3.21Å
1246	T	82.4	Confident	74.6	Confident	22 Å²	22	60.4 Å²	60.4	14%	0.135	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.2	174.5	-58.8	0	0	0	0	110.3	F1151 I1165 C1231	F1151-T1246 HydrophobicContact CD2-CG2 3.82Å; F1151-T1246 HydrophobicContact CE2-CG2 3.67Å; I1165-T1246 HydrophobicContact CD1-CG2 4.15Å; I1165-T1246 HydrophobicContact CG2-CG2 3.86Å; C1231-T1246 PolarHBondContact N-O 2.78Å; C1231-T1246 PolarHBondContact O-N 2.65Å
1247	N	84.7	Confident	73.8	Confident	40 Å²	40	62.1 Å²	62.1	21%	0.214	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.1	-177.4	-65.6	-17	0	0	0	111.1	V1150 F1151	V1150-N1247 WeakPolarHBondContact CA-O 3.4Å; V1150-N1247 HydrophobicContact CG2-CB 4.28Å; F1151-N1247 PolarHBondContact N-O 2.82Å; F1151-N1247 VanDerWaalsContact N-O 3.1Å
1248	V	84.4	Confident	73	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.9	175.1	-174.9	0	0	0	0	108.8	F1151 V1153 L1163 I1165 Y1229 V1250	F1151-V1248 HydrophobicContact CB-CG1 4.4Å; F1151-V1248 HydrophobicContact CB-CG2 4.27Å; F1151-V1248 CarbonylContact O-C 3.49Å; F1151-V1248 VanDerWaalsContact O-CA 3.29Å; F1151-V1248 WeakPolarHBondContact O-CA 3.29Å; F1151-V1248 WeakPolarHBondContact O-CG1 3.32Å; V1153-V1248 HydrophobicContact CB-CG1 4.36Å; V1153-V1248 HydrophobicContact CG2-CG1 3.76Å; L1163-V1248 HydrophobicContact CD1-CG1 4.29Å; L1163-V1248 HydrophobicContact CD2-CG1 4.39Å; I1165-V1248 HydrophobicContact CD1-CG2 3.47Å; I1165-V1248 VanDerWaalsContact CD1-CG2 3.47Å; I1165-V1248 HydrophobicContact CG1-CG2 4.02Å; Y1229-V1248 PolarHBondContact N-O 3.09Å; Y1229-V1248 PolarHBondContact O-N 2.87Å; V1248-V1250 HydrophobicContact CG1-CG2 4.27Å
1249	R	84.2	Confident	72.3	Confident	102 Å²	102	69.8 Å²	69.8	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.8	173.9	-176.1	-172.5	-66.6	-88.2	0.4	108.7	V1150 F1151 E1152 V1153 G1227	V1150-R1249 HydrophobicContact CG1-CB 3.96Å; F1151-R1249 PolarHBondContact O-N 2.96Å; E1152-R1249 WeakPolarHBondContact CA-O 3.42Å; E1152-R1249 HydrophobicContact CG-CB 4.39Å; E1152-R1249 WeakPolarHBondContact OE1-CD 3.23Å; E1152-R1249 IonicContact OE1-NE 3.66Å; V1153-R1249 PolarHBondContact N-O 3.37Å; G1227-R1249 WeakPolarHBondContact O-CA 2.98Å
1250	V	87	Confident	71.8	Confident	3 Å²	3	64 Å²	64	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.4	179.7	-178.9	0	0	0	0	110	V1153 L1155 F1161 L1163 G1227 Y1229 V1248 V1252	V1153-V1250 WeakPolarHBondContact O-CA 3.31Å; L1155-V1250 HydrophobicContact CD1-CG1 3.87Å; L1155-V1250 HydrophobicContact CG-CG1 4.26Å; F1161-V1250 HydrophobicContact CE2-CG1 4.45Å; L1163-V1250 HydrophobicContact CD1-CG2 3.82Å; L1163-V1250 HydrophobicContact CD2-CG2 3.72Å; L1163-V1250 HydrophobicContact CG-CG2 4.37Å; G1227-V1250 PolarHBondContact N-O 3Å; G1227-V1250 VanDerWaalsContact N-O 3.09Å; G1227-V1250 PolarHBondContact O-N 3.29Å; Y1229-V1250 HydrophobicContact CD2-CB 4.12Å; Y1229-V1250 HydrophobicContact CD2-CG2 3.5Å; Y1229-V1250 HydrophobicContact CE2-CB 3.86Å; Y1229-V1250 HydrophobicContact CE2-CG2 3.6Å; V1248-V1250 HydrophobicContact CG1-CG2 4.27Å; V1250-V1252 HydrophobicContact CG1-CG2 4.34Å
1251	K	83.9	Confident	71.3	Confident	79 Å²	79	64.1 Å²	64.1	34%	0.343	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.2	172.7	-65	170.5	-175.1	166.8	0	108.3	E1152 V1153 E1154 L1155	E1152-K1251 WeakPolarHBondContact OE1-CE 3.04Å; E1152-K1251 IonicContact OE1-NZ 2.7Å; E1152-K1251 PolarHBondContact OE1-NZ 3.22Å; E1152-K1251 IonicContact OE2-NZ 2.94Å; E1152-K1251 PolarHBondContact OE2-NZ 3.22Å; V1153-K1251 PolarHBondContact O-N 3.07Å; E1154-K1251 WeakPolarHBondContact CA-O 3.39Å; E1154-K1251 HydrophobicContact CG-CB 4.36Å; L1155-K1251 PolarHBondContact N-O 2.98Å
1252	V	84.7	Confident	70.7	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.139	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.6	176.8	-176.5	0	0	0	0	108.7	L1155 E1157 T1221 V1250	L1155-V1252 CarbonylContact O-C 3.54Å; L1155-V1252 WeakPolarHBondContact O-CA 3.25Å; E1157-V1252 HydrophobicContact CB-CG1 4.08Å; T1221-V1252 HydrophobicContact CG2-CB 4.35Å; T1221-V1252 HydrophobicContact CG2-CG1 3.81Å; T1221-V1252 HydrophobicContact CG2-CG2 3.55Å; V1250-V1252 HydrophobicContact CG1-CG2 4.34Å
1253	R	77.9	Confident	69.9	Low	137 Å²	137	72.2 Å²	72.2	52%	0.517	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	176.8	-67.8	-175.3	174.8	-157.5	5.2	110.1	E1154 L1155 E1157	E1154-R1253 IonicContact OE1-CZ 2.71Å; E1154-R1253 VanDerWaalsContact OE1-CZ 3.27Å; E1154-R1253 IonicContact OE1-NE 2.6Å; E1154-R1253 PolarHBondContact OE1-NE 3.5Å; E1154-R1253 IonicContact OE1-NH2 2.69Å; E1154-R1253 PolarHBondContact OE1-NH2 2.78Å; E1154-R1253 IonicContact OE2-CZ 2.87Å; E1154-R1253 IonicContact OE2-NE 3.65Å; E1154-R1253 IonicContact OE2-NH2 2.79Å; E1154-R1253 PolarHBondContact OE2-NH2 3.36Å; L1155-R1253 PolarHBondContact O-N 2.85Å; E1157-R1253 PolarHBondContact N-O 2.98Å
1254	Q	71.3	Confident	68.9	Low	103 Å²	103	76.2 Å²	76.2	48%	0.481	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-80.1	139.2	-179.8	-56.4	-175.6	-76.3	0	0	111.5	E1157 T1223 E1256 A1257	E1157-Q1254 WeakPolarHBondContact OE2-CA 3.3Å; E1157-Q1254 WeakPolarHBondContact OE2-CB 3.27Å; E1157-Q1254 WeakPolarHBondContact OE2-CG 3.48Å; T1223-Q1254 HydrophobicContact CG2-CG 3.65Å; Q1254-E1256 PolarHBondContact O-N 3.4Å; Q1254-E1256 VanDerWaalsContact O-N 3.13Å; Q1254-A1257 VanDerWaalsContact O-CB 3.31Å; Q1254-A1257 WeakPolarHBondContact O-CB 3.38Å; Q1254-A1257 PolarHBondContact O-N 3.46Å
1255	E	60.1	Low	67.9	Low	97 Å²	97	78.3 Å²	78.3	45%	0.453	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.7	-176.9	-177.9	63.9	-175.1	0	0	113.2	A1257 R1258	E1255-A1257 PolarHBondContact O-N 3.11Å; E1255-R1258 WeakPolarHBondContact O-CB 3.48Å; E1255-R1258 PolarHBondContact O-N 3.31Å; E1255-R1258 WeakPolarHBondContact OE1-CD 3.14Å; E1255-R1258 IonicContact OE1-NH1 3.64Å; E1255-R1258 PolarHBondContact OE1-NH1 2.84Å; E1255-R1258 VanDerWaalsContact OE2-CD 3.26Å; E1255-R1258 WeakPolarHBondContact OE2-CD 3.44Å; E1255-R1258 IonicContact OE2-CZ 2.7Å; E1255-R1258 IonicContact OE2-NE 2.65Å; E1255-R1258 IonicContact OE2-NH1 2.87Å; E1255-R1258 PolarHBondContact OE2-NH1 3.09Å
1256	E	57.1	Low	66.6	Low	150 Å²	150	84.6 Å²	84.6	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27	172.7	-61.9	-157.5	150.5	0	0	112.8	Q1254 R1258 Q1259 S1260	Q1254-E1256 PolarHBondContact O-N 3.4Å; Q1254-E1256 VanDerWaalsContact O-N 3.13Å; E1256-R1258 PolarHBondContact O-N 2.9Å; E1256-Q1259 WeakPolarHBondContact O-CB 3.12Å; E1256-Q1259 PolarHBondContact O-N 2.92Å; E1256-S1260 PolarHBondContact O-N 2.77Å; E1256-S1260 VanDerWaalsContact O-N 3.16Å
1257	A	51.9	Low	65.4	Low	48 Å²	48	90.4 Å²	90.4	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-60	-30.1	171.5	0	0	0	0	0	112.4	Q1254 E1255 Q1259 S1260 E1261	Q1254-A1257 VanDerWaalsContact O-CB 3.31Å; Q1254-A1257 WeakPolarHBondContact O-CB 3.38Å; Q1254-A1257 PolarHBondContact O-N 3.46Å; E1255-A1257 PolarHBondContact O-N 3.11Å; A1257-Q1259 VanDerWaalsContact C-N 3.29Å; A1257-Q1259 PolarHBondContact O-N 2.85Å; A1257-S1260 PolarHBondContact O-N 2.86Å; A1257-S1260 PolarHBondContact O-OG 3.31Å; A1257-S1260 VanDerWaalsContact O-OG 3.08Å; A1257-E1261 WeakPolarHBondContact O-CB 3.14Å; A1257-E1261 PolarHBondContact O-N 2.71Å
1258	R	52.2	Low	63.8	Low	91 Å²	91	94.3 Å²	94.3	34%	0.343	45%	0.445	S	S	.	.	H	α-helix	trans	-75.4	-15.2	173.3	-64.4	-164	-179.4	134.2	-10	113.2	E1156 E1255 E1256 K1262	E1156-R1258 IonicContact OE1-CZ 3.06Å; E1156-R1258 IonicContact OE1-NH2 3.3Å; E1156-R1258 PolarHBondContact OE1-NH2 3.35Å; E1156-R1258 IonicContact OE2-CZ 3.97Å; E1156-R1258 IonicContact OE2-NH1 2.7Å; E1156-R1258 PolarHBondContact OE2-NH1 3.33Å; E1156-R1258 IonicContact OE2-NH2 3.79Å; E1156-R1258 PolarHBondContact OE2-NH2 3.05Å; E1255-R1258 WeakPolarHBondContact O-CB 3.48Å; E1255-R1258 PolarHBondContact O-N 3.31Å; E1255-R1258 WeakPolarHBondContact OE1-CD 3.14Å; E1255-R1258 IonicContact OE1-NH1 3.64Å; E1255-R1258 PolarHBondContact OE1-NH1 2.84Å; E1255-R1258 VanDerWaalsContact OE2-CD 3.26Å; E1255-R1258 WeakPolarHBondContact OE2-CD 3.44Å; E1255-R1258 IonicContact OE2-CZ 2.7Å; E1255-R1258 IonicContact OE2-NE 2.65Å; E1255-R1258 IonicContact OE2-NH1 2.87Å; E1255-R1258 PolarHBondContact OE2-NH1 3.09Å; E1256-R1258 PolarHBondContact O-N 2.9Å; R1258-K1262 WeakPolarHBondContact O-CB 2.92Å; R1258-K1262 VanDerWaalsContact O-CD 3.26Å; R1258-K1262 WeakPolarHBondContact O-CD 3.07Å; R1258-K1262 WeakPolarHBondContact O-CG 3.38Å; R1258-K1262 PolarHBondContact O-N 2.77Å; R1258-K1262 VanDerWaalsContact O-N 3.1Å
1259	Q	52.3	Low	62.3	Low	138 Å²	138	99.9 Å²	99.9	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-82.7	-39.4	168.7	-67.2	-162.9	55.9	0	0	111.4	E1256 A1257 K1262 L1263	E1256-Q1259 WeakPolarHBondContact O-CB 3.12Å; E1256-Q1259 PolarHBondContact O-N 2.92Å; A1257-Q1259 VanDerWaalsContact C-N 3.29Å; A1257-Q1259 PolarHBondContact O-N 2.85Å; Q1259-K1262 PolarHBondContact O-N 2.71Å; Q1259-L1263 WeakPolarHBondContact O-CB 3.02Å; Q1259-L1263 VanDerWaalsContact O-CG 3.26Å; Q1259-L1263 WeakPolarHBondContact O-CG 3.48Å; Q1259-L1263 PolarHBondContact O-N 2.72Å
1260	S	54.3	Low	60.7	Low	61 Å²	61	102.2 Å²	102.2	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-70.3	-36.1	173.3	59.7	0	0	0	0	112.4	E1256 A1257 L1263 N1264	E1256-S1260 PolarHBondContact O-N 2.77Å; E1256-S1260 VanDerWaalsContact O-N 3.16Å; A1257-S1260 PolarHBondContact O-N 2.86Å; A1257-S1260 PolarHBondContact O-OG 3.31Å; A1257-S1260 VanDerWaalsContact O-OG 3.08Å; S1260-L1263 PolarHBondContact O-N 2.69Å; S1260-N1264 WeakPolarHBondContact O-CB 3.08Å; S1260-N1264 VanDerWaalsContact O-CG 3.26Å; S1260-N1264 PolarHBondContact O-N 3.34Å; S1260-N1264 PolarHBondContact O-ND2 2.65Å
1261	E	53.1	Low	59	Low	121 Å²	121	104 Å²	104	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-68.7	-41.2	169.4	-76.1	-167.3	139.7	0	0	112.3	A1257 L1263 N1264 D1265	A1257-E1261 WeakPolarHBondContact O-CB 3.14Å; A1257-E1261 PolarHBondContact O-N 2.71Å; E1261-L1263 PolarHBondContact O-N 2.67Å; E1261-N1264 CarbonylContact O-C 3.56Å; E1261-N1264 PolarHBondContact O-N 2.66Å; E1261-D1265 VanDerWaalsContact O-CB 3.28Å; E1261-D1265 WeakPolarHBondContact O-CB 2.98Å; E1261-D1265 PolarHBondContact O-N 2.63Å
1262	K	54.9	Low	57.3	Low	133 Å²	133	105.9 Å²	105.9	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-69.9	-14.7	173.4	-72.7	168.5	-170	155.5	0	114.2	R1258 Q1259 K1266	R1258-K1262 WeakPolarHBondContact O-CB 2.92Å; R1258-K1262 VanDerWaalsContact O-CD 3.26Å; R1258-K1262 WeakPolarHBondContact O-CD 3.07Å; R1258-K1262 WeakPolarHBondContact O-CG 3.38Å; R1258-K1262 PolarHBondContact O-N 2.77Å; R1258-K1262 VanDerWaalsContact O-N 3.1Å; Q1259-K1262 PolarHBondContact O-N 2.71Å; K1262-K1266 WeakPolarHBondContact O-CB 2.78Å; K1262-K1266 WeakPolarHBondContact O-CG 3.22Å; K1262-K1266 PolarHBondContact O-N 2.68Å
1263	L	55.6	Low	55.5	Low	105 Å²	105	110.9 Å²	110.9	55%	0.55	54%	0.535	S	S	.	.	H	α-helix	trans	-84.2	-44.9	167.5	-76.2	167.7	0	0	0	110.9	Q1259 S1260 E1261 D1265 K1266 E1267	Q1259-L1263 WeakPolarHBondContact O-CB 3.02Å; Q1259-L1263 VanDerWaalsContact O-CG 3.26Å; Q1259-L1263 WeakPolarHBondContact O-CG 3.48Å; Q1259-L1263 PolarHBondContact O-N 2.72Å; S1260-L1263 PolarHBondContact O-N 2.69Å; E1261-L1263 PolarHBondContact O-N 2.67Å; L1263-D1265 VanDerWaalsContact C-N 3.32Å; L1263-D1265 PolarHBondContact O-N 2.77Å; L1263-K1266 CarbonylContact O-C 3.57Å; L1263-K1266 WeakPolarHBondContact O-CA 3.18Å; L1263-K1266 WeakPolarHBondContact O-CB 3.41Å; L1263-K1266 PolarHBondContact O-N 2.64Å; L1263-E1267 PolarHBondContact O-N 2.63Å
1264	N	55.7	Low	54	Low	92 Å²	92	111.7 Å²	111.7	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-35.3	173.8	-73	-26	0	0	0	112.7	S1260 E1261 K1266 E1267 K1268	S1260-N1264 WeakPolarHBondContact O-CB 3.08Å; S1260-N1264 VanDerWaalsContact O-CG 3.26Å; S1260-N1264 PolarHBondContact O-N 3.34Å; S1260-N1264 PolarHBondContact O-ND2 2.65Å; E1261-N1264 CarbonylContact O-C 3.56Å; E1261-N1264 PolarHBondContact O-N 2.66Å; N1264-K1266 VanDerWaalsContact C-N 3.32Å; N1264-E1267 PolarHBondContact O-N 2.78Å; N1264-K1268 WeakPolarHBondContact O-CB 3.21Å; N1264-K1268 WeakPolarHBondContact O-CG 3.39Å; N1264-K1268 PolarHBondContact O-N 2.7Å
1265	D	55.7	Low	52.5	Low	90 Å²	90	114.8 Å²	114.8	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-75.2	-22.3	173.7	-75.4	-17.2	0	0	0	111.8	E1261 L1263 E1269	E1261-D1265 VanDerWaalsContact O-CB 3.28Å; E1261-D1265 WeakPolarHBondContact O-CB 2.98Å; E1261-D1265 PolarHBondContact O-N 2.63Å; L1263-D1265 VanDerWaalsContact C-N 3.32Å; L1263-D1265 PolarHBondContact O-N 2.77Å; D1265-E1269 VanDerWaalsContact O-CB 3.24Å; D1265-E1269 WeakPolarHBondContact O-CB 3.49Å; D1265-E1269 PolarHBondContact O-N 3.35Å
1266	K	55.6	Low	51.2	Low	138 Å²	138	118 Å²	118	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-76	-42.7	166.1	-91.5	-175.6	172	-175.9	0	112.5	K1262 L1263 N1264 K1268 E1269 E1270	K1262-K1266 WeakPolarHBondContact O-CB 2.78Å; K1262-K1266 WeakPolarHBondContact O-CG 3.22Å; K1262-K1266 PolarHBondContact O-N 2.68Å; L1263-K1266 CarbonylContact O-C 3.57Å; L1263-K1266 WeakPolarHBondContact O-CA 3.18Å; L1263-K1266 WeakPolarHBondContact O-CB 3.41Å; L1263-K1266 PolarHBondContact O-N 2.64Å; N1264-K1266 VanDerWaalsContact C-N 3.32Å; K1266-K1268 VanDerWaalsContact C-N 3.25Å; K1266-K1268 PolarHBondContact O-N 3.43Å; K1266-E1269 PolarHBondContact O-N 3.07Å; K1266-E1270 WeakPolarHBondContact O-CB 3.16Å; K1266-E1270 WeakPolarHBondContact O-CG 3.25Å; K1266-E1270 PolarHBondContact O-N 3.26Å
1267	E	56.2	Low	50.2	Low	145 Å²	145	118.4 Å²	118.4	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-66.8	-29.8	174.3	-68.7	-169.8	177.4	0	0	111.4	L1263 N1264 G1271	L1263-E1267 PolarHBondContact O-N 2.63Å; N1264-E1267 PolarHBondContact O-N 2.78Å; E1267-G1271 PolarHBondContact O-N 3.42Å
1268	K	52.3	Low	49.3	Very low	121 Å²	121	124.5 Å²	124.5	53%	0.526	60%	0.603	S	S	.	*	H	α-helix	trans	-72.4	-43.4	164.8	-80.2	-177.8	175	177.4	0	113.3	N1264 K1266 E1270 G1271 E1272	N1264-K1268 WeakPolarHBondContact O-CB 3.21Å; N1264-K1268 WeakPolarHBondContact O-CG 3.39Å; N1264-K1268 PolarHBondContact O-N 2.7Å; K1266-K1268 VanDerWaalsContact C-N 3.25Å; K1266-K1268 PolarHBondContact O-N 3.43Å; K1268-E1270 PolarHBondContact O-N 2.99Å; K1268-G1271 CarbonylContact O-C 3.59Å; K1268-G1271 PolarHBondContact O-N 3.44Å; K1268-E1272 WeakPolarHBondContact O-CB 3.25Å; K1268-E1272 PolarHBondContact O-N 3.31Å
1269	E	51.8	Low	48.3	Very low	120 Å²	120	128.1 Å²	128.1	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-62.4	-28.9	175.4	-99.6	-155.6	-156.8	0	0	112.5	D1265 K1266 K1273	D1265-E1269 VanDerWaalsContact O-CB 3.24Å; D1265-E1269 WeakPolarHBondContact O-CB 3.49Å; D1265-E1269 PolarHBondContact O-N 3.35Å; K1266-E1269 PolarHBondContact O-N 3.07Å; E1269-K1273 WeakPolarHBondContact O-CB 3.04Å; E1269-K1273 WeakPolarHBondContact O-CD 2.95Å; E1269-K1273 WeakPolarHBondContact O-CG 3.09Å; E1269-K1273 PolarHBondContact O-N 2.95Å; E1269-K1273 PolarHBondContact O-NZ 3.4Å; E1269-K1273 VanDerWaalsContact O-NZ 3.15Å; E1269-K1273 IonicContact OE2-NZ 2.76Å; E1269-K1273 PolarHBondContact OE2-NZ 2.85Å
1270	E	52.3	Low	47	Very low	152 Å²	152	126.2 Å²	126.2	71%	0.71	63%	0.629	S	S	*	*	H	α-helix	trans	-82.4	-28.5	171.9	-69.2	-168.3	176.9	0	0	112.3	K1266 K1268	K1266-E1270 WeakPolarHBondContact O-CB 3.16Å; K1266-E1270 WeakPolarHBondContact O-CG 3.25Å; K1266-E1270 PolarHBondContact O-N 3.26Å; K1268-E1270 PolarHBondContact O-N 2.99Å
1271	G	49.7	Very low	45.7	Very low	40 Å²	40	131.5 Å²	131.5	41%	0.412	65%	0.649	S	S	.	*	H	α-helix	trans	-73.8	-41.9	171.9	0	0	0	0	0	114.8	E1267 K1268 L1274	E1267-G1271 PolarHBondContact O-N 3.42Å; K1268-G1271 CarbonylContact O-C 3.59Å; K1268-G1271 PolarHBondContact O-N 3.44Å; G1271-L1274 PolarHBondContact O-N 2.8Å
1272	E	47.9	Very low	44.8	Very low	119 Å²	119	133.6 Å²	133.6	56%	0.556	66%	0.662	S	S	*	*	H	α-helix	trans	-85.8	-23.6	-174	-67.1	-175.6	165.4	0	0	112.4	K1268 L1274 Q1275 E1276	K1268-E1272 WeakPolarHBondContact O-CB 3.25Å; K1268-E1272 PolarHBondContact O-N 3.31Å; E1272-L1274 PolarHBondContact O-N 3.07Å; E1272-Q1275 PolarHBondContact O-N 3.48Å; E1272-E1276 PolarHBondContact O-N 3.23Å
1273	K	48	Very low	43.5	Very low	127 Å²	127	135 Å²	135	55%	0.552	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-9.5	164.4	-82.4	-178	-166.7	79	0	113.9	E1269	E1269-K1273 WeakPolarHBondContact O-CB 3.04Å; E1269-K1273 WeakPolarHBondContact O-CD 2.95Å; E1269-K1273 WeakPolarHBondContact O-CG 3.09Å; E1269-K1273 PolarHBondContact O-N 2.95Å; E1269-K1273 PolarHBondContact O-NZ 3.4Å; E1269-K1273 VanDerWaalsContact O-NZ 3.15Å; E1269-K1273 IonicContact OE2-NZ 2.76Å; E1269-K1273 PolarHBondContact OE2-NZ 2.85Å
1274	L	45.8	Very low	42.3	Very low	154 Å²	154	133.4 Å²	133.4	81%	0.806	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	2.9	169.7	-76.7	166.7	0	0	0	114.3	G1271 E1272	G1271-L1274 PolarHBondContact O-N 2.8Å; E1272-L1274 PolarHBondContact O-N 3.07Å
1275	Q	40.1	Very low	41	Very low	168 Å²	168	134.9 Å²	134.9	79%	0.785	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	-16.2	176.5	-64.8	-161	12.7	0	0	116.3	E1272 D1277	E1272-Q1275 PolarHBondContact O-N 3.48Å; Q1275-D1277 PolarHBondContact O-N 3.05Å
1276	E	33.1	Very low	39.5	Very low	164 Å²	164	138.7 Å²	138.7	77%	0.766	71%	0.712	S	S	*	*			trans	-62	-11.1	-178	-76.2	-159.4	113.8	0	0	115.9	E1272 K1278	E1272-E1276 PolarHBondContact O-N 3.23Å; E1276-K1278 PolarHBondContact O-N 2.72Å
1277	D	35.9	Very low	38.1	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	72%	0.715	S	S	*	*	S	Bend	trans	-77.3	43.7	178.7	-133.4	8.2	0	0	0	113	Q1275	Q1275-D1277 PolarHBondContact O-N 3.05Å
1278	K	33.4	Very low	36.5	Very low	176 Å²	176	136.5 Å²	136.5	77%	0.765	72%	0.716	S	S	*	*	S	Bend	trans	-161	76.8	168.8	-104.4	136.1	-159.4	155.4	0	116.7	E1276	E1276-K1278 PolarHBondContact O-N 2.72Å
1279	I	31.1	Very low	35.3	Very low	166 Å²	166	138.3 Å²	138.3	85%	0.851	73%	0.725	S	S	*	*			trans	75.2	140.5	139.6	-59	164.9	0	0	0	116.9
1280	S	25.3	Very low	33.9	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	74%	0.737	S	S	*	*			trans	-119.4	-171.8	-167.6	57.4	0	0	0	0	113.8
1281	M	26.5	Very low	32.6	Very low	172 Å²	172	136.9 Å²	136.9	85%	0.847	73%	0.733	S	S	*	*			trans	83.7	106.1	171.7	-54.6	-173.9	167.3	0	0	117.8
1282	I	34.8	Very low	31.5	Very low	165 Å²	165	143.5 Å²	143.5	85%	0.846	75%	0.75	S	S	*	*				-174.3	135	97	-91.6	160.6	0	0	0	110
1283	D	27.4	Very low	30.5	Very low	163 Å²	163	146.5 Å²	146.5	87%	0.872	76%	0.762	S	S	*	*			trans	-78.5	158.5	175.8	-44.3	-93	0	0	0	112.9
1284	G	29.3	Very low	29.6	Very low	71 Å²	71	147.3 Å²	147.3	73%	0.732	77%	0.772	S	S	*	*			trans	173.7	75	170.9	0	0	0	0	0	119.8
1285	V	29	Very low	28.7	Very low	123 Å²	123	145.3 Å²	145.3	75%	0.745	77%	0.766	S	S	*	*			trans	39.9	108	140	-174.5	0	0	0	0	119.8
1286	E	24.1	Very low	28	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	77%	0.765	S	S	*	*				39.7	162.5	126.4	-47.6	-177.7	132.7	0	0	124.2
1287	T	25.4	Very low	28	Very low	107 Å²	107	143.9 Å²	143.9	66%	0.656	76%	0.762	S	S	*	*			trans	85.2	95.8	156.3	66.7	0	0	0	0	120.6
1288	N	24.3	Very low	27.5	Very low	131 Å²	131	143.7 Å²	143.7	70%	0.701	76%	0.761	S	S	*	*				74.5	143.4	115	-65	-19.4	0	0	0	123.2
1289	H	25.4	Very low	27.5	Very low	158 Å²	158	143.2 Å²	143.2	73%	0.731	76%	0.759	S	S	*	*			trans	69.5	107.7	150.4	-63	-36.9	0	0	0	120.2
1290	L	23.7	Very low	27.3	Very low	152 Å²	152	143 Å²	143	80%	0.796	76%	0.755	S	S	*	*				43.4	106.4	114.6	-63.4	165.6	0	0	0	116.8
1291	S	25.4	Very low	27.8	Very low	90 Å²	90	145 Å²	145	63%	0.629	76%	0.763	S	S	*	*				163.4	163	78.3	59	0	0	0	0	114.2
1292	K	24.6	Very low	28.3	Very low	180 Å²	180	142.4 Å²	142.4	78%	0.783	76%	0.758	S	S	*	*			trans	64.8	115.7	154	-69.1	155.7	-174	167.1	0	119
1293	K	27.5	Very low	28.2	Very low	182 Å²	182	139.3 Å²	139.3	79%	0.791	75%	0.751	S	S	*	*				48.4	124.4	128.9	-58.8	-173.1	174.4	-169.7	0	119.2
1294	D	29.9	Very low	28.5	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	75%	0.748	S	S	*	*				-160.4	138.9	94.9	-88	-24	0	0	0	107.7
1295	V	26.3	Very low	29	Very low	113 Å²	113	145 Å²	145	69%	0.685	75%	0.752	S	S	*	*				65.1	118.6	70.7	179.5	0	0	0	0	108.9
1296	E	25.8	Very low	29.7	Very low	164 Å²	164	146.5 Å²	146.5	77%	0.766	75%	0.749	S	S	*	*			cis	-164.8	179.1	41.8	-146.7	168.5	-160.5	0	0	113.3
1297	I	32.3	Very low	30.6	Very low	137 Å²	137	145.1 Å²	145.1	70%	0.703	74%	0.742	S	S	*	*			trans	58.2	106.8	161.8	-53.4	163.3	0	0	0	116.4
1298	N	26.9	Very low	31.5	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	75%	0.747	S	S	*	*			cis	77	101.2	15	-126	11.5	0	0	0	117.3
1299	K	31.8	Very low	32.3	Very low	165 Å²	165	146.2 Å²	146.2	72%	0.717	74%	0.736	S	S	*	*			trans	-169.6	111.5	157.5	-110.7	155.5	-178.1	174.3	0	110.5
1300	E	28.4	Very low	33.4	Very low	162 Å²	162	144 Å²	144	76%	0.757	73%	0.726	S	S	*	*				68.5	117.9	99.1	-68.5	163.4	-155.8	0	0	112.2
1301	V	34.7	Very low	34.7	Very low	142 Å²	142	141 Å²	141	86%	0.861	71%	0.71	S	S	*	*				-139.2	153.4	57	165.6	0	0	0	0	111.7
1302	P	37.9	Very low	35.9	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	71%	0.712	S	S	*	*			trans	-102.7	170.4	-156.2	39.7	-36.2	0	0	0	117.1
1303	S	31.1	Very low	37.1	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	70%	0.703	S	S	*	*			trans	-104.5	109.4	-179.5	55.3	0	0	0	0	113.5	K1305	S1303-K1305 PolarHBondContact O-N 3.37Å
1304	M	35	Very low	38.3	Very low	162 Å²	162	136.8 Å²	136.8	80%	0.798	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	60.8	179	-57.7	-163.5	-42.3	0	0	113.8
1305	K	40.3	Very low	39.2	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.835	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	9.3	169.4	-89.7	-159.5	173.7	-169.6	0	114.9	S1303	S1303-K1305 PolarHBondContact O-N 3.37Å
1306	K	42.3	Very low	40.3	Very low	154 Å²	154	135.3 Å²	135.3	67%	0.67	67%	0.671	S	S	*	*	S	Bend	trans	-110.1	-13.7	171.8	-84.5	-166.2	169.2	-171.9	0	115.3	E1309 E1310	K1306-E1309 PolarHBondContact O-N 3.12Å; K1306-E1310 PolarHBondContact O-N 3.38Å; K1306-E1310 VanDerWaalsContact O-N 3.12Å
1307	E	43.7	Very low	41.5	Very low	140 Å²	140	130.2 Å²	130.2	65%	0.654	65%	0.653	S	S	*	*	H	α-helix	trans	-70.6	-38.1	-178.8	-70.2	-179.1	123.9	0	0	112.5	E1309 E1310 D1311	E1307-E1309 VanDerWaalsContact C-N 3.34Å; E1307-E1309 PolarHBondContact O-N 3.02Å; E1307-E1310 PolarHBondContact O-N 3.36Å; E1307-D1311 WeakPolarHBondContact O-CB 3.28Å; E1307-D1311 PolarHBondContact O-N 2.89Å
1308	E	43.5	Very low	42.3	Very low	162 Å²	162	127.3 Å²	127.3	76%	0.757	64%	0.639	S	S	*	*	H	α-helix	trans	-65	-34.4	175.8	-67.4	-174.4	124.3	0	0	113	L1312	E1308-L1312 WeakPolarHBondContact O-CG 3.34Å; E1308-L1312 PolarHBondContact O-N 3.02Å
1309	E	41.7	Very low	43.8	Very low	99 Å²	99	124 Å²	124	46%	0.463	62%	0.624	S	S	.	*	H	α-helix	trans	-74.2	-36.4	177.2	-153.5	-156.4	138.4	0	0	111.9	K1306 E1307 K1313	K1306-E1309 PolarHBondContact O-N 3.12Å; E1307-E1309 VanDerWaalsContact C-N 3.34Å; E1307-E1309 PolarHBondContact O-N 3.02Å; E1309-K1313 PolarHBondContact O-N 2.99Å; E1309-K1313 IonicContact OE1-NZ 2.75Å; E1309-K1313 PolarHBondContact OE1-NZ 2.95Å
1310	E	47.9	Very low	44.5	Very low	111 Å²	111	121.6 Å²	121.6	52%	0.519	62%	0.617	S	S	.	*	H	α-helix	trans	-70.2	-38.3	172.3	-86.9	-151.3	-175.4	0	0	113	K1306 E1307 L1312 K1313 K1314	K1306-E1310 PolarHBondContact O-N 3.38Å; K1306-E1310 VanDerWaalsContact O-N 3.12Å; E1307-E1310 PolarHBondContact O-N 3.36Å; E1310-L1312 VanDerWaalsContact C-N 3.32Å; E1310-L1312 PolarHBondContact O-N 3.29Å; E1310-K1313 CarbonylContact O-C 3.58Å; E1310-K1313 PolarHBondContact O-N 3.09Å; E1310-K1314 WeakPolarHBondContact O-CB 2.98Å; E1310-K1314 WeakPolarHBondContact O-CG 3.36Å; E1310-K1314 PolarHBondContact O-N 3.24Å; E1310-K1314 WeakPolarHBondContact OE2-CE 3.22Å; E1310-K1314 IonicContact OE2-NZ 3.56Å; E1310-K1314 PolarHBondContact OE2-NZ 3.1Å
1311	D	52.5	Low	45.7	Very low	89 Å²	89	119.8 Å²	119.8	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-67	-34	178.7	-99.7	17	0	0	0	112.2	E1307 R1315	E1307-D1311 WeakPolarHBondContact O-CB 3.28Å; E1307-D1311 PolarHBondContact O-N 2.89Å; D1311-R1315 WeakPolarHBondContact O-CB 3Å; D1311-R1315 WeakPolarHBondContact O-CG 3.07Å; D1311-R1315 PolarHBondContact O-N 3.34Å
1312	L	49.2	Very low	46.5	Very low	126 Å²	126	120.4 Å²	120.4	66%	0.66	59%	0.594	S	S	*	*	H	α-helix	trans	-65.1	-43.4	170.1	-74.5	169.2	0	0	0	111.8	E1308 E1310 R1315 G1316	E1308-L1312 WeakPolarHBondContact O-CG 3.34Å; E1308-L1312 PolarHBondContact O-N 3.02Å; E1310-L1312 VanDerWaalsContact C-N 3.32Å; E1310-L1312 PolarHBondContact O-N 3.29Å; L1312-R1315 PolarHBondContact O-N 2.83Å; L1312-G1316 PolarHBondContact O-N 2.72Å; L1312-G1316 VanDerWaalsContact O-N 3.08Å
1313	K	51.1	Low	47.1	Very low	137 Å²	137	121.8 Å²	121.8	60%	0.596	59%	0.588	S	S	*	*	H	α-helix	trans	-67.9	-36.6	176.5	-77	169.3	174.1	168.4	0	112.8	E1309 E1310 G1316 S1317	E1309-K1313 PolarHBondContact O-N 2.99Å; E1309-K1313 IonicContact OE1-NZ 2.75Å; E1309-K1313 PolarHBondContact OE1-NZ 2.95Å; E1310-K1313 CarbonylContact O-C 3.58Å; E1310-K1313 PolarHBondContact O-N 3.09Å; K1313-G1316 PolarHBondContact O-N 3.37Å; K1313-S1317 PolarHBondContact O-N 3.31Å
1314	K	51.7	Low	48.1	Very low	101 Å²	101	122.3 Å²	122.3	44%	0.439	58%	0.579	S	S	.	*	H	α-helix	trans	-64.6	-46.3	172.8	-77.8	160.3	174.4	151.3	0	111.6	E1310 G1316 S1317 D1318	E1310-K1314 WeakPolarHBondContact O-CB 2.98Å; E1310-K1314 WeakPolarHBondContact O-CG 3.36Å; E1310-K1314 PolarHBondContact O-N 3.24Å; E1310-K1314 WeakPolarHBondContact OE2-CE 3.22Å; E1310-K1314 IonicContact OE2-NZ 3.56Å; E1310-K1314 PolarHBondContact OE2-NZ 3.1Å; K1314-G1316 VanDerWaalsContact C-N 3.28Å; K1314-G1316 PolarHBondContact O-N 3.28Å; K1314-S1317 PolarHBondContact O-N 2.86Å; K1314-S1317 VanDerWaalsContact O-N 3.12Å; K1314-D1318 WeakPolarHBondContact O-CB 3.33Å; K1314-D1318 PolarHBondContact O-N 3.27Å
1315	R	49.7	Very low	48.9	Very low	183 Å²	183	120.1 Å²	120.1	69%	0.691	57%	0.567	S	S	*	*	H	α-helix	trans	-58.1	-38.5	173.1	-75.3	-177.3	-172.1	-160.8	5.8	112.6	D1311 L1312 V1319	D1311-R1315 WeakPolarHBondContact O-CB 3Å; D1311-R1315 WeakPolarHBondContact O-CG 3.07Å; D1311-R1315 PolarHBondContact O-N 3.34Å; L1312-R1315 PolarHBondContact O-N 2.83Å; R1315-V1319 VanDerWaalsContact O-CG2 3.3Å; R1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; R1315-V1319 PolarHBondContact O-N 2.7Å; R1315-V1319 VanDerWaalsContact O-N 3.1Å
1316	G	49.9	Very low	49.7	Very low	43 Å²	43	116 Å²	116	44%	0.443	55%	0.553	S	S	.	*	H	α-helix	trans	-60.4	-48.3	172.6	0	0	0	0	0	112.9	L1312 K1313 K1314 M1320	L1312-G1316 PolarHBondContact O-N 2.72Å; L1312-G1316 VanDerWaalsContact O-N 3.08Å; K1313-G1316 PolarHBondContact O-N 3.37Å; K1314-G1316 VanDerWaalsContact C-N 3.28Å; K1314-G1316 PolarHBondContact O-N 3.28Å; G1316-M1320 PolarHBondContact O-N 3.36Å
1317	S	50	Low	50.4	Low	56 Å²	56	113 Å²	113	39%	0.392	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-41.9	178.7	-165.3	0	0	0	0	112.9	K1313 K1314 V1319 M1320 K1321	K1313-S1317 PolarHBondContact O-N 3.31Å; K1314-S1317 PolarHBondContact O-N 2.86Å; K1314-S1317 VanDerWaalsContact O-N 3.12Å; S1317-V1319 PolarHBondContact O-N 3.36Å; S1317-M1320 PolarHBondContact O-N 2.75Å; S1317-K1321 PolarHBondContact O-N 2.87Å
1318	D	49.8	Very low	50.8	Low	76 Å²	76	114.4 Å²	114.4	41%	0.406	55%	0.547	S	S	.	.	H	α-helix	trans	-69.4	-31.1	-179.4	-75.3	-13.2	0	0	0	112.6	K1314 R1322	K1314-D1318 WeakPolarHBondContact O-CB 3.33Å; K1314-D1318 PolarHBondContact O-N 3.27Å; D1318-R1322 VanDerWaalsContact O-CB 3.28Å; D1318-R1322 WeakPolarHBondContact O-CB 3.36Å; D1318-R1322 WeakPolarHBondContact O-CG 2.99Å; D1318-R1322 PolarHBondContact O-N 2.69Å
1319	V	57.8	Low	51.3	Low	87 Å²	87	111 Å²	111	53%	0.527	53%	0.534	S	S	.	.	H	α-helix	trans	-69.9	-36.5	172.6	169.4	0	0	0	0	111.6	R1315 S1317 K1323	R1315-V1319 VanDerWaalsContact O-CG2 3.3Å; R1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; R1315-V1319 PolarHBondContact O-N 2.7Å; R1315-V1319 VanDerWaalsContact O-N 3.1Å; S1317-V1319 PolarHBondContact O-N 3.36Å; V1319-K1323 PolarHBondContact O-N 2.97Å
1320	M	47	Very low	51.6	Low	115 Å²	115	114 Å²	114	57%	0.567	55%	0.545	S	S	*	.	H	α-helix	trans	-65.1	-51.4	171.3	-87.2	-69.3	-71.6	0	0	111.5	G1316 S1317 R1322 K1323 E1324	G1316-M1320 PolarHBondContact O-N 3.36Å; S1317-M1320 PolarHBondContact O-N 2.75Å; M1320-R1322 VanDerWaalsContact C-N 3.34Å; M1320-R1322 PolarHBondContact O-N 3.26Å; M1320-K1323 WeakPolarHBondContact O-CB 2.91Å; M1320-K1323 PolarHBondContact O-N 3.45Å; M1320-E1324 PolarHBondContact O-N 2.82Å
1321	K	52.4	Low	51.6	Low	124 Å²	124	115.7 Å²	115.7	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-59.7	-41.3	178.8	-75.7	179.1	179	171.9	0	112.5	S1317 K1323 E1324 E1325	S1317-K1321 PolarHBondContact O-N 2.87Å; K1321-K1323 VanDerWaalsContact C-N 3.29Å; K1321-K1323 PolarHBondContact O-N 2.74Å; K1321-E1324 PolarHBondContact O-N 3.49Å; K1321-E1325 VanDerWaalsContact O-CB 3.23Å; K1321-E1325 WeakPolarHBondContact O-CB 3.38Å; K1321-E1325 PolarHBondContact O-N 3.12Å
1322	R	53.1	Low	51.2	Low	156 Å²	156	116.9 Å²	116.9	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-64.3	-30.7	174.8	-75.2	173.8	-176.1	176	5.4	112.9	D1318 M1320 I1326	D1318-R1322 VanDerWaalsContact O-CB 3.28Å; D1318-R1322 WeakPolarHBondContact O-CB 3.36Å; D1318-R1322 WeakPolarHBondContact O-CG 2.99Å; D1318-R1322 PolarHBondContact O-N 2.69Å; M1320-R1322 VanDerWaalsContact C-N 3.34Å; M1320-R1322 PolarHBondContact O-N 3.26Å; R1322-I1326 VanDerWaalsContact O-CB 3.26Å; R1322-I1326 WeakPolarHBondContact O-CB 3.46Å; R1322-I1326 WeakPolarHBondContact O-CD1 3.41Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.33Å; R1322-I1326 PolarHBondContact O-N 3.02Å
1323	K	50.1	Low	51	Low	144 Å²	144	118.9 Å²	118.9	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-69	-44.8	171.7	-79.4	-176.5	173.8	-175.7	0	111.7	V1319 M1320 K1321 I1326 V1327	V1319-K1323 PolarHBondContact O-N 2.97Å; M1320-K1323 WeakPolarHBondContact O-CB 2.91Å; M1320-K1323 PolarHBondContact O-N 3.45Å; K1321-K1323 VanDerWaalsContact C-N 3.29Å; K1321-K1323 PolarHBondContact O-N 2.74Å; K1323-I1326 PolarHBondContact O-N 3.18Å; K1323-V1327 WeakPolarHBondContact O-CG2 3.36Å; K1323-V1327 PolarHBondContact O-N 3.4Å; K1323-V1327 VanDerWaalsContact O-N 3.07Å
1324	E	51.9	Low	50.2	Low	112 Å²	112	121.2 Å²	121.2	52%	0.523	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-38	176.1	-65.2	-173.3	141.9	0	0	112.5	M1320 K1321 V1327 R1328	M1320-E1324 PolarHBondContact O-N 2.82Å; K1321-E1324 PolarHBondContact O-N 3.49Å; E1324-V1327 PolarHBondContact O-N 2.63Å; E1324-R1328 WeakPolarHBondContact O-CG 3.48Å; E1324-R1328 PolarHBondContact O-N 2.8Å
1325	E	51.5	Low	49.3	Very low	116 Å²	116	124 Å²	124	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-69.4	-39.8	177.2	-170.8	169.6	-140.8	0	0	112	K1321 V1327 R1328 L1329	K1321-E1325 VanDerWaalsContact O-CB 3.23Å; K1321-E1325 WeakPolarHBondContact O-CB 3.38Å; K1321-E1325 PolarHBondContact O-N 3.12Å; E1325-V1327 VanDerWaalsContact C-N 3.28Å; E1325-V1327 PolarHBondContact O-N 2.71Å; E1325-R1328 PolarHBondContact O-N 3.38Å; E1325-L1329 HydrophobicContact CG-CD1 3.99Å; E1325-L1329 HydrophobicContact CG-CG 4.4Å; E1325-L1329 WeakPolarHBondContact O-CB 3.43Å; E1325-L1329 WeakPolarHBondContact O-CG 3.31Å; E1325-L1329 PolarHBondContact O-N 2.63Å
1326	I	57.8	Low	48.4	Very low	104 Å²	104	121.2 Å²	121.2	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-31.1	171.9	-73.1	166.5	0	0	0	111.9	R1322 K1323 K1330	R1322-I1326 VanDerWaalsContact O-CB 3.26Å; R1322-I1326 WeakPolarHBondContact O-CB 3.46Å; R1322-I1326 WeakPolarHBondContact O-CD1 3.41Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.33Å; R1322-I1326 PolarHBondContact O-N 3.02Å; K1323-I1326 PolarHBondContact O-N 3.18Å; I1326-K1330 WeakPolarHBondContact O-CB 3.45Å; I1326-K1330 WeakPolarHBondContact O-CG 3.39Å; I1326-K1330 PolarHBondContact O-N 3.33Å
1327	V	56.4	Low	47.5	Very low	92 Å²	92	125.1 Å²	125.1	56%	0.558	61%	0.614	S	S	*	*	H	α-helix	trans	-70.9	-41.8	173.1	169.3	0	0	0	0	111.2	K1323 E1324 E1325	K1323-V1327 WeakPolarHBondContact O-CG2 3.36Å; K1323-V1327 PolarHBondContact O-N 3.4Å; K1323-V1327 VanDerWaalsContact O-N 3.07Å; E1324-V1327 PolarHBondContact O-N 2.63Å; E1325-V1327 VanDerWaalsContact C-N 3.28Å; E1325-V1327 PolarHBondContact O-N 2.71Å
1328	R	51.8	Low	46.5	Very low	170 Å²	170	132.5 Å²	132.5	64%	0.642	64%	0.639	S	S	*	*	H	α-helix	trans	-69.8	-47.1	177.9	-70.4	-178.9	-173.6	-146	1.9	113.1	E1324 E1325 K1330 Q1331 D1332	E1324-R1328 WeakPolarHBondContact O-CG 3.48Å; E1324-R1328 PolarHBondContact O-N 2.8Å; E1325-R1328 PolarHBondContact O-N 3.38Å; R1328-K1330 PolarHBondContact O-N 3.28Å; R1328-K1330 VanDerWaalsContact O-N 3.16Å; R1328-Q1331 WeakPolarHBondContact O-CA 3.45Å; R1328-Q1331 PolarHBondContact O-N 2.59Å; R1328-D1332 PolarHBondContact O-N 3.12Å
1329	L	54.7	Low	45.4	Very low	91 Å²	91	138.7 Å²	138.7	48%	0.476	66%	0.662	S	S	.	*	H	α-helix	trans	-59.7	-29	178.2	-71.2	171	0	0	0	112.4	E1325 Q1331 D1332 E1333	E1325-L1329 HydrophobicContact CG-CD1 3.99Å; E1325-L1329 HydrophobicContact CG-CG 4.4Å; E1325-L1329 WeakPolarHBondContact O-CB 3.43Å; E1325-L1329 WeakPolarHBondContact O-CG 3.31Å; E1325-L1329 PolarHBondContact O-N 2.63Å; L1329-Q1331 VanDerWaalsContact C-N 3.34Å; L1329-D1332 PolarHBondContact O-N 2.82Å; L1329-E1333 WeakPolarHBondContact O-CB 3.32Å; L1329-E1333 PolarHBondContact O-N 2.93Å
1330	K	48.2	Very low	44	Very low	161 Å²	161	143.6 Å²	143.6	70%	0.7	68%	0.679	S	S	*	*	H	α-helix	trans	-76.7	-12.8	172.3	-80.7	-170.9	169.7	-166.1	0	115.4	I1326 R1328	I1326-K1330 WeakPolarHBondContact O-CB 3.45Å; I1326-K1330 WeakPolarHBondContact O-CG 3.39Å; I1326-K1330 PolarHBondContact O-N 3.33Å; R1328-K1330 PolarHBondContact O-N 3.28Å; R1328-K1330 VanDerWaalsContact O-N 3.16Å
1331	Q	47.3	Very low	43.3	Very low	146 Å²	146	145.4 Å²	145.4	68%	0.682	70%	0.697	S	S	*	*	H	α-helix	trans	-92.8	-32	168.9	-65	-172.9	-57.4	0	0	111.1	R1328 L1329	R1328-Q1331 WeakPolarHBondContact O-CA 3.45Å; R1328-Q1331 PolarHBondContact O-N 2.59Å; L1329-Q1331 VanDerWaalsContact C-N 3.34Å
1332	D	44.8	Very low	42.2	Very low	115 Å²	115	148.7 Å²	148.7	62%	0.615	71%	0.714	S	S	*	*	H	α-helix	trans	-82	-18.8	-179.9	-65.7	-35	0	0	0	114.3	R1328 L1329	R1328-D1332 PolarHBondContact O-N 3.12Å; L1329-D1332 PolarHBondContact O-N 2.82Å
1333	E	43.2	Very low	41.3	Very low	168 Å²	168	149 Å²	149	79%	0.785	72%	0.722	S	S	*	*	S	Bend	trans	-86.9	-7.7	178.7	-80.9	-163.3	141.4	0	0	115.7	L1329	L1329-E1333 WeakPolarHBondContact O-CB 3.32Å; L1329-E1333 PolarHBondContact O-N 2.93Å
1334	E	35	Very low	40.5	Very low	186 Å²	186	152 Å²	152	87%	0.869	74%	0.735	S	S	*	*	S	Bend	trans	-103.8	-9.1	177.8	-152	162.6	-140.1	0	0	114
1335	E	33.2	Very low	39.9	Very low	158 Å²	158	148.5 Å²	148.5	74%	0.738	73%	0.729	S	S	*	*	S	Bend	trans	-100.3	128.4	161.5	-75	-148.5	162	0	0	112.2
1336	T	29.6	Very low	39.5	Very low	126 Å²	126	150.6 Å²	150.6	77%	0.773	74%	0.736	S	S	*	*			trans	72.1	117.6	-176.2	80.5	0	0	0	0	114.2
1337	P	32.1	Very low	39.1	Very low	124 Å²	124	153.8 Å²	153.8	81%	0.805	75%	0.754	S	S	*	*	S	Bend		-139.7	111.7	59.3	34.6	-16.1	0	0	0	115.1
1338	K	28.7	Very low	38.7	Very low	211 Å²	211	158.9 Å²	158.9	92%	0.917	76%	0.764	S	S	*	*			trans	-154.8	35.9	156.4	-120	163	-167.4	173.6	0	116.9
1339	K	27.3	Very low	38.6	Very low	206 Å²	206	155.7 Å²	155.7	90%	0.896	76%	0.756	S	S	*	*			trans	-102.7	73.3	160.5	-87.4	-173.5	171.8	175.9	0	110.9
1340	Q	28.6	Very low	38.7	Very low	190 Å²	190	158.8 Å²	158.8	89%	0.888	77%	0.768	S	S	*	*			trans	-166.6	40.4	169.2	-123.2	164.5	85.4	0	0	118.1
1341	V	32.4	Very low	39	Very low	154 Å²	154	159.3 Å²	159.3	93%	0.933	77%	0.773	S	S	*	*	S	Bend	trans	-142.5	58.1	158.6	-162.9	0	0	0	0	110.9
1342	E	27.8	Very low	39.4	Very low	192 Å²	192	158.7 Å²	158.7	90%	0.897	77%	0.77	S	S	*	*			trans	-145.9	57.5	-178.3	-161.5	174.6	-106.2	0	0	112.2
1343	E	35.7	Very low	40	Very low	163 Å²	163	157.4 Å²	157.4	76%	0.762	76%	0.76	S	S	*	*	S	Bend	trans	-153	75.2	170.6	-164.7	176.9	-127.8	0	0	112.4
1344	K	32.9	Very low	41.2	Very low	207 Å²	207	152.1 Å²	152.1	90%	0.9	75%	0.745	S	S	*	*	S	Bend	trans	-176.7	24.1	153.6	-102.5	148.4	-164.7	161.5	0	118.1
1345	G	37.8	Very low	42.8	Very low	38 Å²	38	150 Å²	150	39%	0.392	74%	0.735	S	S	.	*			trans	-90.3	-7.7	171.2	0	0	0	0	0	115.8	D1347 R1348 E1349	G1345-D1347 VanDerWaalsContact C-N 3.35Å; G1345-D1347 PolarHBondContact O-N 2.95Å; G1345-R1348 PolarHBondContact O-N 3.12Å; G1345-E1349 VanDerWaalsContact CA-OE2 3.29Å; G1345-E1349 WeakPolarHBondContact CA-OE2 3.16Å
1346	K	44.5	Very low	43.8	Very low	160 Å²	160	147.5 Å²	147.5	70%	0.696	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-6.9	-135.3	-139.6	168.8	-173	167.7	0	119.1	E1349	K1346-E1349 WeakPolarHBondContact CA-OE2 3.33Å; K1346-E1349 PolarHBondContact N-OE2 2.68Å
1347	D	49	Very low	45.5	Very low	171 Å²	171	146.4 Å²	146.4	91%	0.914	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	4.5	179	-60.9	-40	0	0	0	113.2	G1345	G1345-D1347 VanDerWaalsContact C-N 3.35Å; G1345-D1347 PolarHBondContact O-N 2.95Å
1348	R	47.7	Very low	47.2	Very low	200 Å²	200	149.5 Å²	149.5	76%	0.755	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-16.9	171.8	-151.8	173.8	-167.8	168.5	3.4	113.6	G1345	G1345-R1348 PolarHBondContact O-N 3.12Å
1349	E	51.1	Low	48.9	Very low	103 Å²	103	144 Å²	144	48%	0.481	69%	0.686	S	S	.	*	H	α-helix	trans	-67.3	-37.5	177.1	-71.4	165.7	133.2	0	0	111.8	G1345 K1346 E1351 E1352 E1353	G1345-E1349 VanDerWaalsContact CA-OE2 3.29Å; G1345-E1349 WeakPolarHBondContact CA-OE2 3.16Å; K1346-E1349 WeakPolarHBondContact CA-OE2 3.33Å; K1346-E1349 PolarHBondContact N-OE2 2.68Å; E1349-E1351 VanDerWaalsContact C-N 3.26Å; E1349-E1351 PolarHBondContact O-N 2.84Å; E1349-E1351 VanDerWaalsContact O-N 3.11Å; E1349-E1352 PolarHBondContact O-N 2.71Å; E1349-E1353 WeakPolarHBondContact O-CB 3.35Å; E1349-E1353 PolarHBondContact O-N 2.84Å
1350	E	55.1	Low	50.3	Low	155 Å²	155	139.4 Å²	139.4	72%	0.724	67%	0.667	S	S	*	*	H	α-helix	trans	-58.8	-28.8	-175.9	-68.2	-163.8	149.5	0	0	115
1351	E	55.8	Low	51.9	Low	172 Å²	172	137.7 Å²	137.7	80%	0.804	66%	0.659	S	S	*	*	H	α-helix	trans	-86.4	-38.9	178.6	-162.4	166.7	-138.6	0	0	112	E1349 A1354	E1349-E1351 VanDerWaalsContact C-N 3.26Å; E1349-E1351 PolarHBondContact O-N 2.84Å; E1349-E1351 VanDerWaalsContact O-N 3.11Å; E1351-A1354 PolarHBondContact O-N 3.36Å
1352	E	54.6	Low	53.3	Low	133 Å²	133	137.8 Å²	137.8	62%	0.621	65%	0.649	S	S	*	*	H	α-helix	trans	-69.3	-32.8	171.4	-72.9	-173.5	179.9	0	0	111.9	E1349 A1354 E1355 M1356	E1349-E1352 PolarHBondContact O-N 2.71Å; E1352-A1354 VanDerWaalsContact C-N 3.27Å; E1352-A1354 PolarHBondContact O-N 3.04Å; E1352-E1355 PolarHBondContact O-N 3.12Å; E1352-M1356 VanDerWaalsContact O-CB 3.23Å; E1352-M1356 WeakPolarHBondContact O-CB 3.37Å; E1352-M1356 VanDerWaalsContact O-CG 3.28Å; E1352-M1356 WeakPolarHBondContact O-CG 3.35Å; E1352-M1356 PolarHBondContact O-N 3.37Å
1353	E	57.7	Low	54.4	Low	89 Å²	89	135.4 Å²	135.4	42%	0.416	64%	0.636	S	S	.	*	H	α-helix	trans	-63.4	-32.3	176.2	-163.7	-165.4	174.8	0	0	111.4	E1349 K1357	E1349-E1353 WeakPolarHBondContact O-CB 3.35Å; E1349-E1353 PolarHBondContact O-N 2.84Å; E1353-K1357 HydrophobicContact CG-CD 4.28Å; E1353-K1357 VanDerWaalsContact O-CB 3.28Å; E1353-K1357 WeakPolarHBondContact O-CB 3.46Å; E1353-K1357 WeakPolarHBondContact O-CD 3.35Å; E1353-K1357 WeakPolarHBondContact O-CG 3.4Å; E1353-K1357 PolarHBondContact O-N 2.83Å; E1353-K1357 WeakPolarHBondContact OE1-CE 3.41Å; E1353-K1357 IonicContact OE1-NZ 2.76Å; E1353-K1357 PolarHBondContact OE1-NZ 2.83Å; E1353-K1357 IonicContact OE2-NZ 2.68Å; E1353-K1357 PolarHBondContact OE2-NZ 3.28Å
1354	A	68.6	Low	55.2	Low	56 Å²	56	130 Å²	130	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-71.7	-29.6	177.5	0	0	0	0	0	113.7	E1351 E1352	E1351-A1354 PolarHBondContact O-N 3.36Å; E1352-A1354 VanDerWaalsContact C-N 3.27Å; E1352-A1354 PolarHBondContact O-N 3.04Å
1355	E	68.6	Low	56.5	Low	143 Å²	143	127.9 Å²	127.9	67%	0.668	61%	0.613	S	S	*	*	H	α-helix	trans	-89.3	-39.2	174.7	-169.8	158.8	-131.9	0	0	111.4	E1352 K1357 R1358 N1359	E1352-E1355 PolarHBondContact O-N 3.12Å; E1355-K1357 VanDerWaalsContact C-N 3.34Å; E1355-K1357 PolarHBondContact O-N 2.78Å; E1355-R1358 PolarHBondContact O-N 2.7Å; E1355-N1359 PolarHBondContact O-N 3.05Å
1356	M	54.7	Low	57.2	Low	105 Å²	105	129.6 Å²	129.6	52%	0.517	62%	0.619	S	S	.	*	H	α-helix	trans	-55.3	-44.6	169.6	-79.1	-106.8	-72	0	0	111.6	E1352 R1358 N1359 E1360	E1352-M1356 VanDerWaalsContact O-CB 3.23Å; E1352-M1356 WeakPolarHBondContact O-CB 3.37Å; E1352-M1356 VanDerWaalsContact O-CG 3.28Å; E1352-M1356 WeakPolarHBondContact O-CG 3.35Å; E1352-M1356 PolarHBondContact O-N 3.37Å; M1356-R1358 PolarHBondContact O-N 3.27Å; M1356-N1359 CarbonylContact O-C 3.31Å; M1356-N1359 WeakPolarHBondContact O-CA 3.14Å; M1356-N1359 PolarHBondContact O-N 3.43Å; M1356-E1360 WeakPolarHBondContact O-CB 3.46Å; M1356-E1360 WeakPolarHBondContact O-CG 3.36Å; M1356-E1360 PolarHBondContact O-N 3.46Å
1357	K	64.4	Low	57.4	Low	102 Å²	102	125.5 Å²	125.5	44%	0.443	61%	0.607	S	S	.	*	H	α-helix	trans	-53.5	-28.4	179	-85.9	164.7	-177.3	157.3	0	114.4	E1353 E1355 E1361	E1353-K1357 HydrophobicContact CG-CD 4.28Å; E1353-K1357 VanDerWaalsContact O-CB 3.28Å; E1353-K1357 WeakPolarHBondContact O-CB 3.46Å; E1353-K1357 WeakPolarHBondContact O-CD 3.35Å; E1353-K1357 WeakPolarHBondContact O-CG 3.4Å; E1353-K1357 PolarHBondContact O-N 2.83Å; E1353-K1357 WeakPolarHBondContact OE1-CE 3.41Å; E1353-K1357 IonicContact OE1-NZ 2.76Å; E1353-K1357 PolarHBondContact OE1-NZ 2.83Å; E1353-K1357 IonicContact OE2-NZ 2.68Å; E1353-K1357 PolarHBondContact OE2-NZ 3.28Å; E1355-K1357 VanDerWaalsContact C-N 3.34Å; E1355-K1357 PolarHBondContact O-N 2.78Å; K1357-E1361 PolarHBondContact O-N 3.19Å
1358	R	68	Low	57.4	Low	189 Å²	189	126.4 Å²	126.4	71%	0.713	60%	0.598	S	S	*	*	H	α-helix	trans	-78.1	-43.6	175.2	-57.1	-174.9	-168.5	179.2	5.3	112	E1355 M1356 E1360 E1361 E1362	E1355-R1358 PolarHBondContact O-N 2.7Å; M1356-R1358 PolarHBondContact O-N 3.27Å; R1358-E1360 PolarHBondContact O-N 2.9Å; R1358-E1361 PolarHBondContact O-N 3.13Å; R1358-E1362 PolarHBondContact O-N 3.08Å
1359	N	65.5	Low	57.5	Low	96 Å²	96	119.1 Å²	119.1	51%	0.513	59%	0.585	S	S	.	*	H	α-helix	trans	-67.7	-25.5	173.1	-66.3	-34.3	0	0	0	112.1	E1355 M1356 K1363	E1355-N1359 PolarHBondContact O-N 3.05Å; M1356-N1359 CarbonylContact O-C 3.31Å; M1356-N1359 WeakPolarHBondContact O-CA 3.14Å; M1356-N1359 PolarHBondContact O-N 3.43Å; N1359-K1363 WeakPolarHBondContact O-CB 3.41Å; N1359-K1363 WeakPolarHBondContact O-CG 3.29Å; N1359-K1363 PolarHBondContact O-N 2.92Å
1360	E	55.7	Low	57.6	Low	110 Å²	110	121.1 Å²	121.1	51%	0.514	59%	0.594	S	S	.	*	H	α-helix	trans	-80.2	-30.8	173.5	-74.9	-160.3	134.3	0	0	112.9	M1356 R1358 A1364	M1356-E1360 WeakPolarHBondContact O-CB 3.46Å; M1356-E1360 WeakPolarHBondContact O-CG 3.36Å; M1356-E1360 PolarHBondContact O-N 3.46Å; R1358-E1360 PolarHBondContact O-N 2.9Å; E1360-A1364 WeakPolarHBondContact O-CA 3.13Å; E1360-A1364 WeakPolarHBondContact O-CB 2.99Å; E1360-A1364 PolarHBondContact O-N 3.06Å
1361	E	61.5	Low	57.2	Low	154 Å²	154	120.6 Å²	120.6	72%	0.72	59%	0.59	S	S	*	*	H	α-helix	trans	-63	-44.9	167.5	-82.1	-170.2	129.9	0	0	110.8	K1357 R1358 K1363 A1364 E1365	K1357-E1361 PolarHBondContact O-N 3.19Å; R1358-E1361 PolarHBondContact O-N 3.13Å; E1361-K1363 PolarHBondContact O-N 3.1Å; E1361-A1364 PolarHBondContact O-N 2.63Å; E1361-E1365 PolarHBondContact O-N 3.33Å; E1361-E1365 VanDerWaalsContact O-N 3.1Å
1362	E	62.6	Low	57.4	Low	155 Å²	155	115.9 Å²	115.9	72%	0.724	57%	0.572	S	S	*	*	H	α-helix	trans	-66.3	-38.9	178.5	-155.5	172.5	-132.6	0	0	111.8	R1358	R1358-E1362 PolarHBondContact O-N 3.08Å
1363	K	51.3	Low	57.3	Low	143 Å²	143	113.5 Å²	113.5	62%	0.622	56%	0.561	S	S	*	*	H	α-helix	trans	-72.9	-29.4	170.3	-79.8	-177.8	176.6	176.9	0	113.9	N1359 E1361 E1365 S1366 T1367	N1359-K1363 WeakPolarHBondContact O-CB 3.41Å; N1359-K1363 WeakPolarHBondContact O-CG 3.29Å; N1359-K1363 PolarHBondContact O-N 2.92Å; E1361-K1363 PolarHBondContact O-N 3.1Å; K1363-E1365 VanDerWaalsContact C-N 3.3Å; K1363-E1365 PolarHBondContact O-N 2.81Å; K1363-S1366 PolarHBondContact O-N 2.9Å; K1363-S1366 PolarHBondContact O-OG 2.81Å; K1363-T1367 WeakPolarHBondContact O-CB 3.42Å; K1363-T1367 WeakPolarHBondContact O-CG2 3.36Å; K1363-T1367 PolarHBondContact O-N 3.16Å; K1363-T1367 PolarHBondContact O-OG1 3.02Å
1364	A	53.1	Low	57	Low	49 Å²	49	112 Å²	112	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-34.5	177.2	0	0	0	0	0	110.5	E1360 E1361 T1367 R1368	E1360-A1364 WeakPolarHBondContact O-CA 3.13Å; E1360-A1364 WeakPolarHBondContact O-CB 2.99Å; E1360-A1364 PolarHBondContact O-N 3.06Å; E1361-A1364 PolarHBondContact O-N 2.63Å; A1364-T1367 WeakPolarHBondContact CA-OG1 3.4Å; A1364-R1368 WeakPolarHBondContact O-CA 3.08Å; A1364-R1368 WeakPolarHBondContact O-CB 3.28Å; A1364-R1368 PolarHBondContact O-N 3.37Å
1365	E	59	Low	56.2	Low	162 Å²	162	115.4 Å²	115.4	76%	0.757	57%	0.565	S	S	*	*	H	α-helix	trans	-64.9	-44.7	172.2	-169.8	148.1	-130.3	0	0	111.6	E1361 K1363 R1368 G1369	E1361-E1365 PolarHBondContact O-N 3.33Å; E1361-E1365 VanDerWaalsContact O-N 3.1Å; K1363-E1365 VanDerWaalsContact C-N 3.3Å; K1363-E1365 PolarHBondContact O-N 2.81Å; E1365-R1368 PolarHBondContact O-N 3.37Å; E1365-G1369 PolarHBondContact O-N 3.35Å
1366	S	51.9	Low	55.7	Low	75 Å²	75	116 Å²	116	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-63.5	-46.6	176.2	73.5	0	0	0	0	113.4	K1363 G1369 E1370	K1363-S1366 PolarHBondContact O-N 2.9Å; K1363-S1366 PolarHBondContact O-OG 2.81Å; S1366-G1369 PolarHBondContact O-N 3.39Å; S1366-E1370 PolarHBondContact O-N 2.69Å
1367	T	49.6	Very low	55.7	Low	73 Å²	73	116 Å²	116	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-76.6	-20.7	-179.6	54.1	0	0	0	0	112.7	K1363 A1364 G1369 E1370 K1371	K1363-T1367 WeakPolarHBondContact O-CB 3.42Å; K1363-T1367 WeakPolarHBondContact O-CG2 3.36Å; K1363-T1367 PolarHBondContact O-N 3.16Å; K1363-T1367 PolarHBondContact O-OG1 3.02Å; A1364-T1367 WeakPolarHBondContact CA-OG1 3.4Å; T1367-G1369 VanDerWaalsContact C-N 3.34Å; T1367-E1370 PolarHBondContact O-N 3.1Å; T1367-K1371 WeakPolarHBondContact O-CB 3.46Å; T1367-K1371 PolarHBondContact O-N 3.25Å
1368	R	49	Very low	55.3	Low	190 Å²	190	116.8 Å²	116.8	72%	0.717	56%	0.564	S	S	*	*	H	α-helix	trans	-68.6	-34.8	167.7	-176.3	176.5	-168.9	167.9	3.2	111.3	A1364 E1365 V1372	A1364-R1368 WeakPolarHBondContact O-CA 3.08Å; A1364-R1368 WeakPolarHBondContact O-CB 3.28Å; A1364-R1368 PolarHBondContact O-N 3.37Å; E1365-R1368 PolarHBondContact O-N 3.37Å; R1368-V1372 WeakPolarHBondContact O-CB 3.26Å; R1368-V1372 VanDerWaalsContact O-CG2 3.23Å; R1368-V1372 WeakPolarHBondContact O-CG2 3.47Å; R1368-V1372 PolarHBondContact O-N 3.42Å
1369	G	49.5	Very low	54.9	Low	47 Å²	47	112.9 Å²	112.9	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-58.8	-55.7	167.8	0	0	0	0	0	111.4	E1365 S1366 T1367 K1371 V1372 E1373	E1365-G1369 PolarHBondContact O-N 3.35Å; S1366-G1369 PolarHBondContact O-N 3.39Å; T1367-G1369 VanDerWaalsContact C-N 3.34Å; G1369-K1371 PolarHBondContact O-N 2.93Å; G1369-V1372 PolarHBondContact O-N 3.39Å; G1369-E1373 PolarHBondContact O-N 3.46Å
1370	E	52.7	Low	54.7	Low	146 Å²	146	112.9 Å²	112.9	68%	0.682	55%	0.55	S	S	*	*	H	α-helix	trans	-64.5	-36	-178.3	-167.4	167.2	-140	0	0	113.2	S1366 T1367 E1373 S1374	S1366-E1370 PolarHBondContact O-N 2.69Å; T1367-E1370 PolarHBondContact O-N 3.1Å; E1370-E1373 CarbonylContact O-C 3.59Å; E1370-E1373 PolarHBondContact O-N 2.73Å; E1370-S1374 WeakPolarHBondContact O-CB 3.15Å; E1370-S1374 PolarHBondContact O-N 3.22Å
1371	K	48.5	Very low	54.7	Low	144 Å²	144	111.4 Å²	111.4	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-77.2	-22.8	178.1	-167.2	167.5	-172.3	168.6	0	113.8	T1367 G1369 S1374 K1375	T1367-K1371 WeakPolarHBondContact O-CB 3.46Å; T1367-K1371 PolarHBondContact O-N 3.25Å; G1369-K1371 PolarHBondContact O-N 2.93Å; K1371-S1374 WeakPolarHBondContact CA-OG 3.22Å; K1371-S1374 PolarHBondContact O-OG 3.16Å; K1371-K1375 VanDerWaalsContact O-CB 3.3Å; K1371-K1375 WeakPolarHBondContact O-CB 3.32Å; K1371-K1375 WeakPolarHBondContact O-CG 3.43Å; K1371-K1375 PolarHBondContact O-N 2.96Å; K1371-K1375 VanDerWaalsContact O-N 3.11Å
1372	V	58.1	Low	55	Low	73 Å²	73	107.8 Å²	107.8	44%	0.442	54%	0.537	S	S	.	.	H	α-helix	trans	-73.1	-39.5	165.9	165.5	0	0	0	0	110.1	R1368 G1369 K1375 R1376	R1368-V1372 WeakPolarHBondContact O-CB 3.26Å; R1368-V1372 VanDerWaalsContact O-CG2 3.23Å; R1368-V1372 WeakPolarHBondContact O-CG2 3.47Å; R1368-V1372 PolarHBondContact O-N 3.42Å; G1369-V1372 PolarHBondContact O-N 3.39Å; V1372-K1375 PolarHBondContact O-N 2.7Å; V1372-R1376 WeakPolarHBondContact O-CB 3.46Å; V1372-R1376 WeakPolarHBondContact O-CG 3.33Å; V1372-R1376 PolarHBondContact O-N 2.85Å
1373	E	53.5	Low	54.9	Low	82 Å²	82	105.7 Å²	105.7	38%	0.383	53%	0.526	S	S	.	.	H	α-helix	trans	-71.1	-35.2	178	-166.1	61.7	-165.4	0	0	112.5	G1369 E1370 R1376 K1377	G1369-E1373 PolarHBondContact O-N 3.46Å; E1370-E1373 CarbonylContact O-C 3.59Å; E1370-E1373 PolarHBondContact O-N 2.73Å; E1373-R1376 IonicContact OE2-NH1 3.95Å; E1373-K1377 WeakPolarHBondContact O-CG 3.46Å; E1373-K1377 PolarHBondContact O-N 2.84Å; E1373-K1377 VanDerWaalsContact O-N 3.17Å; E1373-K1377 IonicContact OE1-NZ 2.64Å
1374	S	52.1	Low	55.4	Low	59 Å²	59	102.6 Å²	102.6	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-68	-46.4	171.5	80.3	0	0	0	0	110.9	E1370 K1371 R1376 K1377 E1378	E1370-S1374 WeakPolarHBondContact O-CB 3.15Å; E1370-S1374 PolarHBondContact O-N 3.22Å; K1371-S1374 WeakPolarHBondContact CA-OG 3.22Å; K1371-S1374 PolarHBondContact O-OG 3.16Å; S1374-R1376 VanDerWaalsContact C-N 3.29Å; S1374-R1376 PolarHBondContact O-N 3.38Å; S1374-K1377 PolarHBondContact O-N 2.87Å; S1374-K1377 VanDerWaalsContact O-N 3.11Å; S1374-E1378 VanDerWaalsContact O-CB 3.32Å; S1374-E1378 WeakPolarHBondContact O-CB 3.47Å; S1374-E1378 PolarHBondContact O-N 3.46Å
1375	K	51.4	Low	55.9	Low	127 Å²	127	107 Å²	107	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-60.1	-36.9	175.1	-85.4	-164	167	-151.6	0	113	K1371 V1372 E1378 E1379	K1371-K1375 VanDerWaalsContact O-CB 3.3Å; K1371-K1375 WeakPolarHBondContact O-CB 3.32Å; K1371-K1375 WeakPolarHBondContact O-CG 3.43Å; K1371-K1375 PolarHBondContact O-N 2.96Å; K1371-K1375 VanDerWaalsContact O-N 3.11Å; V1372-K1375 PolarHBondContact O-N 2.7Å; K1375-E1378 PolarHBondContact O-N 2.82Å; K1375-E1379 WeakPolarHBondContact O-CB 3.33Å; K1375-E1379 PolarHBondContact O-N 2.63Å
1376	R	58.6	Low	56.3	Low	155 Å²	155	105.1 Å²	105.1	59%	0.585	52%	0.516	S	S	*	.	H	α-helix	trans	-61.5	-45.7	173.2	-82.5	173.1	166.4	-179.9	-5.4	111.8	V1372 E1373 S1374 E1379 E1380	V1372-R1376 WeakPolarHBondContact O-CB 3.46Å; V1372-R1376 WeakPolarHBondContact O-CG 3.33Å; V1372-R1376 PolarHBondContact O-N 2.85Å; E1373-R1376 IonicContact OE2-NH1 3.95Å; S1374-R1376 VanDerWaalsContact C-N 3.29Å; S1374-R1376 PolarHBondContact O-N 3.38Å; R1376-E1379 PolarHBondContact O-N 2.78Å; R1376-E1380 WeakPolarHBondContact O-CB 3.3Å; R1376-E1380 PolarHBondContact O-N 3.24Å
1377	K	53.1	Low	56.7	Low	105 Å²	105	106.3 Å²	106.3	46%	0.457	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-39.5	177.6	-71.8	165.3	-173.9	164.8	0	111.9	E1373 S1374 E1380 T1381	E1373-K1377 WeakPolarHBondContact O-CG 3.46Å; E1373-K1377 PolarHBondContact O-N 2.84Å; E1373-K1377 VanDerWaalsContact O-N 3.17Å; E1373-K1377 IonicContact OE1-NZ 2.64Å; S1374-K1377 PolarHBondContact O-N 2.87Å; S1374-K1377 VanDerWaalsContact O-N 3.11Å; K1377-E1380 PolarHBondContact O-N 2.63Å; K1377-T1381 PolarHBondContact O-N 2.66Å; K1377-T1381 PolarHBondContact O-OG1 2.68Å
1378	E	56.7	Low	57.6	Low	118 Å²	118	106.6 Å²	106.6	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-65.1	-45.8	176.6	-164.6	169	-121.2	0	0	111.4	S1374 K1375 T1381 V1382	S1374-E1378 VanDerWaalsContact O-CB 3.32Å; S1374-E1378 WeakPolarHBondContact O-CB 3.47Å; S1374-E1378 PolarHBondContact O-N 3.46Å; K1375-E1378 PolarHBondContact O-N 2.82Å; E1378-T1381 VanDerWaalsContact CA-OG1 3.32Å; E1378-T1381 WeakPolarHBondContact CA-OG1 3.35Å; E1378-T1381 PolarHBondContact O-N 2.59Å; E1378-T1381 PolarHBondContact O-OG1 2.72Å; E1378-V1382 WeakPolarHBondContact O-CB 3.26Å; E1378-V1382 WeakPolarHBondContact O-CG2 3.27Å; E1378-V1382 PolarHBondContact O-N 2.8Å
1379	E	59.3	Low	58.2	Low	107 Å²	107	101.4 Å²	101.4	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-32.4	173.9	-167.4	-173.4	171.6	0	0	112.2	K1375 R1376 K1383	K1375-E1379 WeakPolarHBondContact O-CB 3.33Å; K1375-E1379 PolarHBondContact O-N 2.63Å; R1376-E1379 PolarHBondContact O-N 2.78Å; E1379-K1383 VanDerWaalsContact CD-NZ 3.34Å; E1379-K1383 HydrophobicContact CG-CD 4.43Å; E1379-K1383 WeakPolarHBondContact O-CB 3.23Å; E1379-K1383 VanDerWaalsContact O-CG 3.27Å; E1379-K1383 WeakPolarHBondContact O-CG 3.39Å; E1379-K1383 PolarHBondContact O-N 2.74Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.21Å; E1379-K1383 IonicContact OE1-NZ 2.8Å; E1379-K1383 PolarHBondContact OE1-NZ 2.86Å
1380	E	60.6	Low	58.9	Low	97 Å²	97	106.6 Å²	106.6	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-74.3	-35.1	173.9	-163.3	-169.7	160.2	0	0	112	R1376 K1377 K1384	R1376-E1380 WeakPolarHBondContact O-CB 3.3Å; R1376-E1380 PolarHBondContact O-N 3.24Å; K1377-E1380 PolarHBondContact O-N 2.63Å; E1380-K1384 WeakPolarHBondContact O-CB 3.24Å; E1380-K1384 VanDerWaalsContact O-CG 3.3Å; E1380-K1384 WeakPolarHBondContact O-CG 3.43Å; E1380-K1384 PolarHBondContact O-N 2.77Å; E1380-K1384 WeakPolarHBondContact OE1-CE 3.39Å; E1380-K1384 IonicContact OE1-NZ 2.73Å; E1380-K1384 PolarHBondContact OE1-NZ 2.71Å
1381	T	56.7	Low	59.2	Low	78 Å²	78	105 Å²	105	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-68.7	-43.7	170.4	43.2	0	0	0	0	111.5	K1377 E1378 K1383 K1384 E1385	K1377-T1381 PolarHBondContact O-N 2.66Å; K1377-T1381 PolarHBondContact O-OG1 2.68Å; E1378-T1381 VanDerWaalsContact CA-OG1 3.32Å; E1378-T1381 WeakPolarHBondContact CA-OG1 3.35Å; E1378-T1381 PolarHBondContact O-N 2.59Å; E1378-T1381 PolarHBondContact O-OG1 2.72Å; T1381-K1383 VanDerWaalsContact C-N 3.33Å; T1381-K1383 PolarHBondContact O-N 2.7Å; T1381-K1384 PolarHBondContact O-N 2.75Å; T1381-K1384 VanDerWaalsContact O-N 3.12Å; T1381-E1385 PolarHBondContact O-N 3.46Å
1382	V	67.2	Low	60	Low	79 Å²	79	105.7 Å²	105.7	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-42.3	175.1	168.5	0	0	0	0	110.7	E1378 K1384 E1385 E1386	E1378-V1382 WeakPolarHBondContact O-CB 3.26Å; E1378-V1382 WeakPolarHBondContact O-CG2 3.27Å; E1378-V1382 PolarHBondContact O-N 2.8Å; V1382-K1384 VanDerWaalsContact C-N 3.34Å; V1382-K1384 PolarHBondContact O-N 2.83Å; V1382-E1385 PolarHBondContact O-N 2.97Å; V1382-E1386 VanDerWaalsContact O-CB 3.22Å; V1382-E1386 WeakPolarHBondContact O-CB 3.36Å; V1382-E1386 PolarHBondContact O-N 3.19Å
1383	K	61.5	Low	59.8	Low	111 Å²	111	107 Å²	107	48%	0.483	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-34.1	174.6	-76.5	168.5	-171.7	166.2	0	113.2	E1379 T1381 E1387	E1379-K1383 VanDerWaalsContact CD-NZ 3.34Å; E1379-K1383 HydrophobicContact CG-CD 4.43Å; E1379-K1383 WeakPolarHBondContact O-CB 3.23Å; E1379-K1383 VanDerWaalsContact O-CG 3.27Å; E1379-K1383 WeakPolarHBondContact O-CG 3.39Å; E1379-K1383 PolarHBondContact O-N 2.74Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.21Å; E1379-K1383 IonicContact OE1-NZ 2.8Å; E1379-K1383 PolarHBondContact OE1-NZ 2.86Å; T1381-K1383 VanDerWaalsContact C-N 3.33Å; T1381-K1383 PolarHBondContact O-N 2.7Å; K1383-E1387 VanDerWaalsContact O-CB 3.23Å; K1383-E1387 WeakPolarHBondContact O-CB 3.4Å; K1383-E1387 PolarHBondContact O-N 3.03Å
1384	K	60.7	Low	60.2	Low	77 Å²	77	107.9 Å²	107.9	34%	0.335	50%	0.497	S	S	.	.	H	α-helix	trans	-71.8	-37.2	174.4	-77.7	167.3	-178	162.8	0	112.3	E1380 T1381 V1382 V1388	E1380-K1384 WeakPolarHBondContact O-CB 3.24Å; E1380-K1384 VanDerWaalsContact O-CG 3.3Å; E1380-K1384 WeakPolarHBondContact O-CG 3.43Å; E1380-K1384 PolarHBondContact O-N 2.77Å; E1380-K1384 WeakPolarHBondContact OE1-CE 3.39Å; E1380-K1384 IonicContact OE1-NZ 2.73Å; E1380-K1384 PolarHBondContact OE1-NZ 2.71Å; T1381-K1384 PolarHBondContact O-N 2.75Å; T1381-K1384 VanDerWaalsContact O-N 3.12Å; V1382-K1384 VanDerWaalsContact C-N 3.34Å; V1382-K1384 PolarHBondContact O-N 2.83Å; K1384-V1388 WeakPolarHBondContact O-CB 3.17Å; K1384-V1388 VanDerWaalsContact O-CG2 3.25Å; K1384-V1388 WeakPolarHBondContact O-CG2 3.22Å; K1384-V1388 PolarHBondContact O-N 2.61Å
1385	E	64.9	Low	60.4	Low	141 Å²	141	111.5 Å²	111.5	66%	0.659	51%	0.507	S	S	*	.	H	α-helix	trans	-69.3	-41.5	172.4	-71.7	-174.2	154.7	0	0	111.4	T1381 V1382 E1387 V1388 E1389	T1381-E1385 PolarHBondContact O-N 3.46Å; V1382-E1385 PolarHBondContact O-N 2.97Å; E1385-E1387 VanDerWaalsContact C-N 3.34Å; E1385-E1387 PolarHBondContact O-N 3.32Å; E1385-V1388 PolarHBondContact O-N 2.92Å; E1385-E1389 WeakPolarHBondContact O-CB 3.48Å; E1385-E1389 PolarHBondContact O-N 2.78Å
1386	E	66.6	Low	60.7	Low	124 Å²	124	111.8 Å²	111.8	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-66.7	-32.8	175	-170.3	174.5	-134.5	0	0	112.2	V1382 R1390	V1382-E1386 VanDerWaalsContact O-CB 3.22Å; V1382-E1386 WeakPolarHBondContact O-CB 3.36Å; V1382-E1386 PolarHBondContact O-N 3.19Å; E1386-R1390 VanDerWaalsContact O-CB 3.29Å; E1386-R1390 WeakPolarHBondContact O-CB 3.4Å; E1386-R1390 PolarHBondContact O-N 2.91Å
1387	E	60.8	Low	60.2	Low	100 Å²	100	111.2 Å²	111.2	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-71.3	-40.8	171.1	-169.2	-172	158.9	0	0	112	K1383 E1385 R1390 K1391	K1383-E1387 VanDerWaalsContact O-CB 3.23Å; K1383-E1387 WeakPolarHBondContact O-CB 3.4Å; K1383-E1387 PolarHBondContact O-N 3.03Å; E1385-E1387 VanDerWaalsContact C-N 3.34Å; E1385-E1387 PolarHBondContact O-N 3.32Å; E1387-R1390 PolarHBondContact O-N 2.9Å; E1387-K1391 HydrophobicContact CG-CD 4.5Å; E1387-K1391 WeakPolarHBondContact O-CB 3.48Å; E1387-K1391 VanDerWaalsContact O-CG 3.32Å; E1387-K1391 WeakPolarHBondContact O-CG 3.2Å; E1387-K1391 PolarHBondContact O-N 3.27Å; E1387-K1391 VanDerWaalsContact OE1-CE 3.27Å; E1387-K1391 WeakPolarHBondContact OE1-CE 3.19Å; E1387-K1391 IonicContact OE1-NZ 2.65Å; E1387-K1391 PolarHBondContact OE1-NZ 3.24Å
1388	V	67.4	Low	60.5	Low	79 Å²	79	108.9 Å²	108.9	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-38.8	174.2	165.9	0	0	0	0	111.2	K1384 E1385 K1391 R1392	K1384-V1388 WeakPolarHBondContact O-CB 3.17Å; K1384-V1388 VanDerWaalsContact O-CG2 3.25Å; K1384-V1388 WeakPolarHBondContact O-CG2 3.22Å; K1384-V1388 PolarHBondContact O-N 2.61Å; E1385-V1388 PolarHBondContact O-N 2.92Å; V1388-K1391 PolarHBondContact O-N 2.86Å; V1388-R1392 WeakPolarHBondContact O-CB 3.25Å; V1388-R1392 WeakPolarHBondContact O-CG 3.48Å; V1388-R1392 PolarHBondContact O-N 3.1Å
1389	E	62	Low	60.6	Low	80 Å²	80	110.3 Å²	110.3	37%	0.374	52%	0.519	S	S	.	.	H	α-helix	trans	-73	-34.6	177.3	-173.6	64.8	-174.9	0	0	111.7	E1385 K1393	E1385-E1389 WeakPolarHBondContact O-CB 3.48Å; E1385-E1389 PolarHBondContact O-N 2.78Å; E1389-K1393 HydrophobicContact CG-CD 4.27Å; E1389-K1393 WeakPolarHBondContact O-CB 3.44Å; E1389-K1393 WeakPolarHBondContact O-CG 3.45Å; E1389-K1393 PolarHBondContact O-N 3.47Å; E1389-K1393 VanDerWaalsContact OE1-CE 3.3Å; E1389-K1393 WeakPolarHBondContact OE1-CE 3.23Å; E1389-K1393 IonicContact OE1-NZ 2.66Å; E1389-K1393 PolarHBondContact OE1-NZ 3.19Å
1390	R	64.9	Low	59.9	Low	156 Å²	156	108.4 Å²	108.4	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-63	-46	166.1	-94.4	-165.9	66.3	177.7	-3.6	111.6	E1386 E1387 K1393 E1394	E1386-R1390 VanDerWaalsContact O-CB 3.29Å; E1386-R1390 WeakPolarHBondContact O-CB 3.4Å; E1386-R1390 PolarHBondContact O-N 2.91Å; E1387-R1390 PolarHBondContact O-N 2.9Å; R1390-K1393 CarbonylContact O-C 3.59Å; R1390-K1393 PolarHBondContact O-N 3.12Å; R1390-E1394 IonicContact CZ-OE1 3.85Å; R1390-E1394 VanDerWaalsContact CZ-OE1 3.24Å; R1390-E1394 IonicContact NE-OE1 3.08Å; R1390-E1394 PolarHBondContact NE-OE1 3.02Å; R1390-E1394 IonicContact NH2-OE1 3.41Å; R1390-E1394 PolarHBondContact NH2-OE1 3.26Å; R1390-E1394 WeakPolarHBondContact O-CB 3.45Å; R1390-E1394 WeakPolarHBondContact O-CG 3.4Å; R1390-E1394 PolarHBondContact O-N 2.94Å
1391	K	58.7	Low	59.5	Low	114 Å²	114	107.3 Å²	107.3	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-45.4	177.9	-76.9	172.3	-172.7	171	0	110.9	E1387 V1388 K1393 E1394 E1395	E1387-K1391 HydrophobicContact CG-CD 4.5Å; E1387-K1391 WeakPolarHBondContact O-CB 3.48Å; E1387-K1391 VanDerWaalsContact O-CG 3.32Å; E1387-K1391 WeakPolarHBondContact O-CG 3.2Å; E1387-K1391 PolarHBondContact O-N 3.27Å; E1387-K1391 VanDerWaalsContact OE1-CE 3.27Å; E1387-K1391 WeakPolarHBondContact OE1-CE 3.19Å; E1387-K1391 IonicContact OE1-NZ 2.65Å; E1387-K1391 PolarHBondContact OE1-NZ 3.24Å; V1388-K1391 PolarHBondContact O-N 2.86Å; K1391-K1393 PolarHBondContact O-N 3.05Å; K1391-E1394 PolarHBondContact O-N 2.82Å; K1391-E1395 WeakPolarHBondContact O-CB 3.37Å; K1391-E1395 PolarHBondContact O-N 3.04Å
1392	R	64.2	Low	58.9	Low	157 Å²	157	111 Å²	111	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-57.1	-43.7	171.1	-79	177.8	167.9	175	-3.9	112.8	V1388 E1395 E1396	V1388-R1392 WeakPolarHBondContact O-CB 3.25Å; V1388-R1392 WeakPolarHBondContact O-CG 3.48Å; V1388-R1392 PolarHBondContact O-N 3.1Å; R1392-E1395 PolarHBondContact O-N 3.13Å; R1392-E1396 WeakPolarHBondContact O-CB 3.18Å; R1392-E1396 PolarHBondContact O-N 2.86Å
1393	K	54.6	Low	57.7	Low	102 Å²	102	109.1 Å²	109.1	44%	0.443	52%	0.519	S	S	.	.	H	α-helix	trans	-75.9	-20.8	178.4	-78.4	166.4	169.6	143.6	0	114.4	E1389 R1390 K1391 K1397	E1389-K1393 HydrophobicContact CG-CD 4.27Å; E1389-K1393 WeakPolarHBondContact O-CB 3.44Å; E1389-K1393 WeakPolarHBondContact O-CG 3.45Å; E1389-K1393 PolarHBondContact O-N 3.47Å; E1389-K1393 VanDerWaalsContact OE1-CE 3.3Å; E1389-K1393 WeakPolarHBondContact OE1-CE 3.23Å; E1389-K1393 IonicContact OE1-NZ 2.66Å; E1389-K1393 PolarHBondContact OE1-NZ 3.19Å; R1390-K1393 CarbonylContact O-C 3.59Å; R1390-K1393 PolarHBondContact O-N 3.12Å; K1391-K1393 PolarHBondContact O-N 3.05Å; K1393-K1397 WeakPolarHBondContact O-CB 3.25Å; K1393-K1397 WeakPolarHBondContact O-CD 3.39Å; K1393-K1397 WeakPolarHBondContact O-CG 3.19Å; K1393-K1397 PolarHBondContact O-N 2.95Å
1394	E	62.1	Low	57	Low	99 Å²	99	109.8 Å²	109.8	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-82.7	-35.1	170.6	-77.2	168.9	-161	0	0	110.9	R1390 K1391 A1398	R1390-E1394 IonicContact CZ-OE1 3.85Å; R1390-E1394 VanDerWaalsContact CZ-OE1 3.24Å; R1390-E1394 IonicContact NE-OE1 3.08Å; R1390-E1394 PolarHBondContact NE-OE1 3.02Å; R1390-E1394 IonicContact NH2-OE1 3.41Å; R1390-E1394 PolarHBondContact NH2-OE1 3.26Å; R1390-E1394 WeakPolarHBondContact O-CB 3.45Å; R1390-E1394 WeakPolarHBondContact O-CG 3.4Å; R1390-E1394 PolarHBondContact O-N 2.94Å; K1391-E1394 PolarHBondContact O-N 2.82Å; E1394-A1398 WeakPolarHBondContact O-CB 3.18Å; E1394-A1398 PolarHBondContact O-N 2.71Å
1395	E	55.4	Low	56.1	Low	136 Å²	136	113.3 Å²	113.3	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-72.4	-46.5	175	-170.1	164.2	-123.7	0	0	111.3	K1391 R1392 K1397 A1398 E1399	K1391-E1395 WeakPolarHBondContact O-CB 3.37Å; K1391-E1395 PolarHBondContact O-N 3.04Å; R1392-E1395 PolarHBondContact O-N 3.13Å; E1395-K1397 VanDerWaalsContact C-N 3.33Å; E1395-K1397 PolarHBondContact O-N 2.82Å; E1395-A1398 CarbonylContact O-C 3.47Å; E1395-A1398 PolarHBondContact O-N 2.66Å; E1395-A1398 VanDerWaalsContact O-N 3.15Å; E1395-E1399 WeakPolarHBondContact O-CB 3.48Å; E1395-E1399 PolarHBondContact O-N 2.95Å
1396	E	58.8	Low	55.4	Low	132 Å²	132	108.2 Å²	108.2	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-64.1	-34.7	173	-175	179	-129.7	0	0	111.8	R1392 S1400	R1392-E1396 WeakPolarHBondContact O-CB 3.18Å; R1392-E1396 PolarHBondContact O-N 2.86Å; E1396-S1400 VanDerWaalsContact O-CB 3.28Å; E1396-S1400 WeakPolarHBondContact O-CB 3.38Å; E1396-S1400 PolarHBondContact O-N 3.33Å
1397	K	48.6	Very low	54.2	Low	144 Å²	144	106.7 Å²	106.7	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-75.3	-33.6	170.2	-79	179.1	178.5	-175.3	0	113.3	K1393 E1395 E1399 S1400 T1401	K1393-K1397 WeakPolarHBondContact O-CB 3.25Å; K1393-K1397 WeakPolarHBondContact O-CD 3.39Å; K1393-K1397 WeakPolarHBondContact O-CG 3.19Å; K1393-K1397 PolarHBondContact O-N 2.95Å; E1395-K1397 VanDerWaalsContact C-N 3.33Å; E1395-K1397 PolarHBondContact O-N 2.82Å; K1397-E1399 VanDerWaalsContact C-N 3.31Å; K1397-S1400 PolarHBondContact O-OG 2.95Å; K1397-T1401 WeakPolarHBondContact O-CB 3.38Å; K1397-T1401 WeakPolarHBondContact O-CG2 3.16Å; K1397-T1401 PolarHBondContact O-N 2.87Å; K1397-T1401 PolarHBondContact O-OG1 2.86Å
1398	A	59.3	Low	53.5	Low	55 Å²	55	104.6 Å²	104.6	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-39.1	173.1	0	0	0	0	0	110.1	E1394 E1395 T1401 R1402	E1394-A1398 WeakPolarHBondContact O-CB 3.18Å; E1394-A1398 PolarHBondContact O-N 2.71Å; E1395-A1398 CarbonylContact O-C 3.47Å; E1395-A1398 PolarHBondContact O-N 2.66Å; E1395-A1398 VanDerWaalsContact O-N 3.15Å; A1398-T1401 PolarHBondContact O-OG1 3.07Å; A1398-R1402 WeakPolarHBondContact O-CB 3.41Å; A1398-R1402 PolarHBondContact O-N 2.94Å
1399	E	59	Low	52.3	Low	148 Å²	148	106.2 Å²	106.2	69%	0.692	51%	0.505	S	S	*	.	H	α-helix	trans	-72.7	-38.9	174.9	-171.3	152.7	-138.7	0	0	112	E1395 K1397 R1402 G1403	E1395-E1399 WeakPolarHBondContact O-CB 3.48Å; E1395-E1399 PolarHBondContact O-N 2.95Å; K1397-E1399 VanDerWaalsContact C-N 3.31Å; E1399-R1402 PolarHBondContact O-N 2.88Å; E1399-G1403 PolarHBondContact O-N 3.43Å
1400	S	44.8	Very low	51.4	Low	67 Å²	67	109.1 Å²	109.1	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-43.3	174	85	0	0	0	0	111.9	E1396 K1397 G1403 E1404	E1396-S1400 VanDerWaalsContact O-CB 3.28Å; E1396-S1400 WeakPolarHBondContact O-CB 3.38Å; E1396-S1400 PolarHBondContact O-N 3.33Å; K1397-S1400 PolarHBondContact O-OG 2.95Å; S1400-G1403 PolarHBondContact O-N 3.2Å; S1400-E1404 VanDerWaalsContact O-CB 3.23Å; S1400-E1404 WeakPolarHBondContact O-CB 3.35Å; S1400-E1404 PolarHBondContact O-N 2.88Å
1401	T	51.1	Low	50.3	Low	74 Å²	74	107 Å²	107	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-76.6	-25.5	178	56.5	0	0	0	0	113.2	K1397 A1398 K1405	K1397-T1401 WeakPolarHBondContact O-CB 3.38Å; K1397-T1401 WeakPolarHBondContact O-CG2 3.16Å; K1397-T1401 PolarHBondContact O-N 2.87Å; K1397-T1401 PolarHBondContact O-OG1 2.86Å; A1398-T1401 PolarHBondContact O-OG1 3.07Å; T1401-K1405 VanDerWaalsContact O-CB 3.32Å; T1401-K1405 WeakPolarHBondContact O-CB 3.49Å; T1401-K1405 WeakPolarHBondContact O-CG 3.31Å; T1401-K1405 PolarHBondContact O-N 3.4Å
1402	R	44.6	Very low	50	Low	157 Å²	157	106.5 Å²	106.5	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-71.2	-42.5	167.7	-173.3	176.6	-169.8	174.2	3.3	110.7	A1398 E1399 K1405 V1406	A1398-R1402 WeakPolarHBondContact O-CB 3.41Å; A1398-R1402 PolarHBondContact O-N 2.94Å; E1399-R1402 PolarHBondContact O-N 2.88Å; R1402-K1405 PolarHBondContact O-N 3.24Å; R1402-V1406 WeakPolarHBondContact O-CB 3.39Å; R1402-V1406 VanDerWaalsContact O-CG2 3.28Å; R1402-V1406 WeakPolarHBondContact O-CG2 3.41Å; R1402-V1406 PolarHBondContact O-N 3.4Å
1403	G	40.8	Very low	49.2	Very low	38 Å²	38	101.8 Å²	101.8	39%	0.392	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-51.9	173.2	0	0	0	0	0	111.4	E1399 S1400 K1405 V1406 E1407	E1399-G1403 PolarHBondContact O-N 3.43Å; S1400-G1403 PolarHBondContact O-N 3.2Å; G1403-K1405 PolarHBondContact O-N 2.84Å; G1403-V1406 CarbonylContact O-C 3.59Å; G1403-V1406 PolarHBondContact O-N 3.08Å; G1403-V1406 VanDerWaalsContact O-N 3.1Å; G1403-E1407 VanDerWaalsContact O-CB 3.29Å; G1403-E1407 WeakPolarHBondContact O-CB 3.32Å; G1403-E1407 PolarHBondContact O-N 3.44Å
1404	E	48.1	Very low	48.9	Very low	126 Å²	126	101.9 Å²	101.9	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-58.5	-43.6	176.3	-172.5	171.9	-145.6	0	0	111.9	S1400 V1406 E1407 T1408	S1400-E1404 VanDerWaalsContact O-CB 3.23Å; S1400-E1404 WeakPolarHBondContact O-CB 3.35Å; S1400-E1404 PolarHBondContact O-N 2.88Å; E1404-V1406 PolarHBondContact O-N 3.25Å; E1404-E1407 CarbonylContact O-C 3.54Å; E1404-E1407 WeakPolarHBondContact O-CB 3.37Å; E1404-E1407 PolarHBondContact O-N 2.69Å; E1404-T1408 WeakPolarHBondContact O-CG2 3.4Å; E1404-T1408 PolarHBondContact O-N 3.31Å
1405	K	40.8	Very low	48.2	Very low	151 Å²	151	99.9 Å²	99.9	66%	0.657	49%	0.488	S	S	*	.	H	α-helix	trans	-65.9	-32.7	173	-86.3	-174.3	170.8	179.3	0	114.7	T1401 R1402 G1403 E1407 T1408 K1409	T1401-K1405 VanDerWaalsContact O-CB 3.32Å; T1401-K1405 WeakPolarHBondContact O-CB 3.49Å; T1401-K1405 WeakPolarHBondContact O-CG 3.31Å; T1401-K1405 PolarHBondContact O-N 3.4Å; R1402-K1405 PolarHBondContact O-N 3.24Å; G1403-K1405 PolarHBondContact O-N 2.84Å; K1405-E1407 VanDerWaalsContact C-N 3.32Å; K1405-T1408 PolarHBondContact O-OG1 3.37Å; K1405-K1409 VanDerWaalsContact O-CB 3.28Å; K1405-K1409 WeakPolarHBondContact O-CB 3.48Å; K1405-K1409 PolarHBondContact O-N 3.12Å
1406	V	50.1	Low	48.3	Very low	33 Å²	33	97.1 Å²	97.1	20%	0.2	48%	0.481	C	S	.	.	H	α-helix	trans	-72.2	-33.7	173.3	167.3	0	0	0	0	110.1	L213 R1402 G1403 E1404 R1410	L213-V1406 HydrophobicContact CD1-CG2 4.44Å; L213-V1406 HydrophobicContact CD2-CG2 4.05Å; R1402-V1406 WeakPolarHBondContact O-CB 3.39Å; R1402-V1406 VanDerWaalsContact O-CG2 3.28Å; R1402-V1406 WeakPolarHBondContact O-CG2 3.41Å; R1402-V1406 PolarHBondContact O-N 3.4Å; G1403-V1406 CarbonylContact O-C 3.59Å; G1403-V1406 PolarHBondContact O-N 3.08Å; G1403-V1406 VanDerWaalsContact O-N 3.1Å; E1404-V1406 PolarHBondContact O-N 3.25Å; V1406-R1410 VanDerWaalsContact O-CB 3.22Å; V1406-R1410 WeakPolarHBondContact O-CB 3.42Å; V1406-R1410 WeakPolarHBondContact O-CD 3.4Å; V1406-R1410 WeakPolarHBondContact O-CG 3.41Å; V1406-R1410 PolarHBondContact O-N 3.25Å
1407	E	42.4	Very low	47.6	Very low	92 Å²	92	96.2 Å²	96.2	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-70.9	-41.8	176.2	-167.6	72.7	-165	0	0	111.7	G1403 E1404 K1405 K1411	G1403-E1407 VanDerWaalsContact O-CB 3.29Å; G1403-E1407 WeakPolarHBondContact O-CB 3.32Å; G1403-E1407 PolarHBondContact O-N 3.44Å; E1404-E1407 CarbonylContact O-C 3.54Å; E1404-E1407 WeakPolarHBondContact O-CB 3.37Å; E1404-E1407 PolarHBondContact O-N 2.69Å; K1405-E1407 VanDerWaalsContact C-N 3.32Å; E1407-K1411 HydrophobicContact CG-CD 4.49Å; E1407-K1411 VanDerWaalsContact CG-NZ 3.25Å; E1407-K1411 WeakPolarHBondContact O-CD 3.43Å; E1407-K1411 WeakPolarHBondContact O-CG 3.47Å; E1407-K1411 PolarHBondContact O-N 2.78Å; E1407-K1411 VanDerWaalsContact O-N 3.09Å; E1407-K1411 VanDerWaalsContact OE1-CE 3.26Å; E1407-K1411 WeakPolarHBondContact OE1-CE 3.12Å; E1407-K1411 IonicContact OE1-NZ 3.03Å; E1407-K1411 PolarHBondContact OE1-NZ 3.26Å
1408	T	45.9	Very low	47.5	Very low	57 Å²	57	94.6 Å²	94.6	35%	0.35	47%	0.468	S	S	.	.	H	α-helix	trans	-70	-49.4	172.7	67.8	0	0	0	0	111.3	E1404 K1405 R1410 K1411 E1412	E1404-T1408 WeakPolarHBondContact O-CG2 3.4Å; E1404-T1408 PolarHBondContact O-N 3.31Å; K1405-T1408 PolarHBondContact O-OG1 3.37Å; T1408-R1410 PolarHBondContact O-N 3.41Å; T1408-K1411 CarbonylContact O-C 3.55Å; T1408-K1411 WeakPolarHBondContact O-CA 3.45Å; T1408-K1411 PolarHBondContact O-N 2.96Å; T1408-E1412 WeakPolarHBondContact CB-OE1 3.26Å; T1408-E1412 WeakPolarHBondContact O-CB 3.29Å; T1408-E1412 VanDerWaalsContact O-CG 3.32Å; T1408-E1412 WeakPolarHBondContact O-CG 3.35Å; T1408-E1412 PolarHBondContact O-N 3.09Å
1409	K	42.9	Very low	47.2	Very low	113 Å²	113	98 Å²	98	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-55.8	-36.7	175.1	-87.1	-157.7	164	-154.3	0	112.4	E206 K1405 E1413	E206-K1409 IonicContact OE1-NZ 2.76Å; K1405-K1409 VanDerWaalsContact O-CB 3.28Å; K1405-K1409 WeakPolarHBondContact O-CB 3.48Å; K1405-K1409 PolarHBondContact O-N 3.12Å; K1409-E1413 WeakPolarHBondContact O-CB 3.41Å; K1409-E1413 PolarHBondContact O-N 2.81Å
1410	R	42.6	Very low	47	Very low	141 Å²	141	97.1 Å²	97.1	53%	0.532	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-42.7	173.6	-82.4	172.8	176.5	-179.7	1.1	112.4	V1406 T1408 E1414	V1406-R1410 VanDerWaalsContact O-CB 3.22Å; V1406-R1410 WeakPolarHBondContact O-CB 3.42Å; V1406-R1410 WeakPolarHBondContact O-CD 3.4Å; V1406-R1410 WeakPolarHBondContact O-CG 3.41Å; V1406-R1410 PolarHBondContact O-N 3.25Å; T1408-R1410 PolarHBondContact O-N 3.41Å; R1410-E1414 VanDerWaalsContact O-CB 3.3Å; R1410-E1414 WeakPolarHBondContact O-CB 3.12Å; R1410-E1414 PolarHBondContact O-N 2.81Å
1411	K	41.8	Very low	47.1	Very low	111 Å²	111	99 Å²	99	48%	0.483	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-40.2	177.9	-74.1	164.5	-173.5	162.7	0	111.9	E1407 T1408 E1414 T1415	E1407-K1411 HydrophobicContact CG-CD 4.49Å; E1407-K1411 VanDerWaalsContact CG-NZ 3.25Å; E1407-K1411 WeakPolarHBondContact O-CD 3.43Å; E1407-K1411 WeakPolarHBondContact O-CG 3.47Å; E1407-K1411 PolarHBondContact O-N 2.78Å; E1407-K1411 VanDerWaalsContact O-N 3.09Å; E1407-K1411 VanDerWaalsContact OE1-CE 3.26Å; E1407-K1411 WeakPolarHBondContact OE1-CE 3.12Å; E1407-K1411 IonicContact OE1-NZ 3.03Å; E1407-K1411 PolarHBondContact OE1-NZ 3.26Å; T1408-K1411 CarbonylContact O-C 3.55Å; T1408-K1411 WeakPolarHBondContact O-CA 3.45Å; T1408-K1411 PolarHBondContact O-N 2.96Å; K1411-E1414 CarbonylContact O-C 3.59Å; K1411-E1414 PolarHBondContact O-N 3.42Å; K1411-T1415 PolarHBondContact O-N 2.89Å; K1411-T1415 PolarHBondContact O-OG1 2.79Å; K1411-T1415 VanDerWaalsContact O-OG1 3.13Å
1412	E	52.5	Low	47.4	Very low	103 Å²	103	98.7 Å²	98.7	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-47.8	173.5	-70.9	156.1	-157.7	0	0	111.2	T1408 E1414 T1415 V1416	T1408-E1412 WeakPolarHBondContact CB-OE1 3.26Å; T1408-E1412 WeakPolarHBondContact O-CB 3.29Å; T1408-E1412 VanDerWaalsContact O-CG 3.32Å; T1408-E1412 WeakPolarHBondContact O-CG 3.35Å; T1408-E1412 PolarHBondContact O-N 3.09Å; E1412-E1414 VanDerWaalsContact C-N 3.3Å; E1412-E1414 PolarHBondContact O-N 2.83Å; E1412-T1415 WeakPolarHBondContact CA-OG1 3.46Å; E1412-T1415 PolarHBondContact O-N 3.18Å; E1412-T1415 PolarHBondContact O-OG1 3.44Å; E1412-V1416 WeakPolarHBondContact O-CB 3.35Å; E1412-V1416 VanDerWaalsContact O-CG2 3.31Å; E1412-V1416 WeakPolarHBondContact O-CG2 3.47Å; E1412-V1416 PolarHBondContact O-N 3.32Å
1413	E	48	Very low	47.6	Very low	59 Å²	59	94.9 Å²	94.9	28%	0.276	46%	0.458	S	S	.	.	H	α-helix	trans	-65.4	-30.8	173	-82.4	-166.1	74.1	0	0	113.2	R214 K1409 K1417	R214-E1413 VanDerWaalsContact CZ-CD 3.4Å; R214-E1413 IonicContact CZ-OE1 2.93Å; R214-E1413 IonicContact CZ-OE2 2.62Å; R214-E1413 IonicContact NE-OE2 3.6Å; R214-E1413 IonicContact NH1-OE1 3.94Å; R214-E1413 PolarHBondContact NH1-OE1 2.8Å; R214-E1413 IonicContact NH1-OE2 3.82Å; R214-E1413 IonicContact NH2-OE1 3.79Å; R214-E1413 PolarHBondContact NH2-OE1 2.95Å; R214-E1413 IonicContact NH2-OE2 3.85Å; R214-E1413 PolarHBondContact NH2-OE2 3.44Å; K1409-E1413 WeakPolarHBondContact O-CB 3.41Å; K1409-E1413 PolarHBondContact O-N 2.81Å; E1413-K1417 VanDerWaalsContact O-CB 3.27Å; E1413-K1417 WeakPolarHBondContact O-CB 3.13Å; E1413-K1417 VanDerWaalsContact O-CG 3.26Å; E1413-K1417 WeakPolarHBondContact O-CG 3.39Å; E1413-K1417 PolarHBondContact O-N 2.84Å
1414	E	48.2	Very low	48.2	Very low	104 Å²	104	101 Å²	101	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-76.1	-32.3	176.4	-158.8	-172.6	153.9	0	0	112	R1410 K1411 E1412 K1418	R1410-E1414 VanDerWaalsContact O-CB 3.3Å; R1410-E1414 WeakPolarHBondContact O-CB 3.12Å; R1410-E1414 PolarHBondContact O-N 2.81Å; K1411-E1414 CarbonylContact O-C 3.59Å; K1411-E1414 PolarHBondContact O-N 3.42Å; E1412-E1414 VanDerWaalsContact C-N 3.3Å; E1412-E1414 PolarHBondContact O-N 2.83Å; E1414-K1418 WeakPolarHBondContact O-CB 3.4Å; E1414-K1418 WeakPolarHBondContact O-CD 3.5Å; E1414-K1418 WeakPolarHBondContact O-CG 3.41Å; E1414-K1418 PolarHBondContact O-N 3.35Å; E1414-K1418 VanDerWaalsContact O-N 3.1Å; E1414-K1418 WeakPolarHBondContact OE1-CE 3.32Å; E1414-K1418 IonicContact OE1-NZ 2.69Å; E1414-K1418 PolarHBondContact OE1-NZ 2.71Å
1415	T	47.1	Very low	48	Very low	56 Å²	56	99.8 Å²	99.8	34%	0.344	46%	0.462	S	S	.	.	H	α-helix	trans	-71.8	-47	170.2	47.8	0	0	0	0	111.4	K1411 E1412 K1417 K1418 E1419	K1411-T1415 PolarHBondContact O-N 2.89Å; K1411-T1415 PolarHBondContact O-OG1 2.79Å; K1411-T1415 VanDerWaalsContact O-OG1 3.13Å; E1412-T1415 WeakPolarHBondContact CA-OG1 3.46Å; E1412-T1415 PolarHBondContact O-N 3.18Å; E1412-T1415 PolarHBondContact O-OG1 3.44Å; T1415-K1417 VanDerWaalsContact C-N 3.3Å; T1415-K1417 PolarHBondContact O-N 3.37Å; T1415-K1418 CarbonylContact O-C 3.56Å; T1415-K1418 WeakPolarHBondContact O-CA 3.15Å; T1415-K1418 PolarHBondContact O-N 2.99Å; T1415-E1419 WeakPolarHBondContact O-CG 3.12Å; T1415-E1419 PolarHBondContact O-N 2.83Å
1416	V	56.3	Low	48.7	Very low	79 Å²	79	100 Å²	100	48%	0.479	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-39.7	177.3	170.8	0	0	0	0	111.2	E1412 E1419 E1420	E1412-V1416 WeakPolarHBondContact O-CB 3.35Å; E1412-V1416 VanDerWaalsContact O-CG2 3.31Å; E1412-V1416 WeakPolarHBondContact O-CG2 3.47Å; E1412-V1416 PolarHBondContact O-N 3.32Å; V1416-E1419 PolarHBondContact O-N 3.05Å; V1416-E1420 PolarHBondContact O-N 3.41Å
1417	K	44.8	Very low	48.4	Very low	112 Å²	112	103.3 Å²	103.3	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-69.5	-32	174.2	-75.8	-177.2	178.3	-167.8	0	113.7	E1413 T1415 E1421	E1413-K1417 VanDerWaalsContact O-CB 3.27Å; E1413-K1417 WeakPolarHBondContact O-CB 3.13Å; E1413-K1417 VanDerWaalsContact O-CG 3.26Å; E1413-K1417 WeakPolarHBondContact O-CG 3.39Å; E1413-K1417 PolarHBondContact O-N 2.84Å; T1415-K1417 VanDerWaalsContact C-N 3.3Å; T1415-K1417 PolarHBondContact O-N 3.37Å; K1417-E1421 WeakPolarHBondContact O-CB 2.99Å; K1417-E1421 PolarHBondContact O-N 2.84Å
1418	K	46.2	Very low	48.8	Very low	111 Å²	111	103.7 Å²	103.7	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-70.4	-34.7	171.8	-77.2	168.3	-174.9	168.1	0	111.4	E1414 T1415 V1422	E1414-K1418 WeakPolarHBondContact O-CB 3.4Å; E1414-K1418 WeakPolarHBondContact O-CD 3.5Å; E1414-K1418 WeakPolarHBondContact O-CG 3.41Å; E1414-K1418 PolarHBondContact O-N 3.35Å; E1414-K1418 VanDerWaalsContact O-N 3.1Å; E1414-K1418 WeakPolarHBondContact OE1-CE 3.32Å; E1414-K1418 IonicContact OE1-NZ 2.69Å; E1414-K1418 PolarHBondContact OE1-NZ 2.71Å; T1415-K1418 CarbonylContact O-C 3.56Å; T1415-K1418 WeakPolarHBondContact O-CA 3.15Å; T1415-K1418 PolarHBondContact O-N 2.99Å; K1418-V1422 VanDerWaalsContact O-CB 3.25Å; K1418-V1422 WeakPolarHBondContact O-CB 2.99Å; K1418-V1422 WeakPolarHBondContact O-CG2 3.34Å; K1418-V1422 PolarHBondContact O-N 3.13Å
1419	E	54.4	Low	48.7	Very low	125 Å²	125	106.5 Å²	106.5	58%	0.584	48%	0.482	S	S	*	.	H	α-helix	trans	-70.5	-44.3	174.3	-74.2	167.9	-176.8	0	0	111.6	T1415 V1416 E1421 V1422 E1423	T1415-E1419 WeakPolarHBondContact O-CG 3.12Å; T1415-E1419 PolarHBondContact O-N 2.83Å; V1416-E1419 PolarHBondContact O-N 3.05Å; E1419-E1421 PolarHBondContact O-N 3.01Å; E1419-V1422 PolarHBondContact O-N 2.84Å; E1419-E1423 WeakPolarHBondContact O-CB 3.02Å; E1419-E1423 PolarHBondContact O-N 3.06Å
1420	E	53.6	Low	49	Very low	130 Å²	130	107.4 Å²	107.4	61%	0.607	49%	0.488	S	S	*	.	H	α-helix	trans	-60.3	-41.7	170	-81.1	-165.6	121.7	0	0	112.2	V1416 E1423 R1424	V1416-E1420 PolarHBondContact O-N 3.41Å; E1420-E1423 PolarHBondContact O-N 3.19Å; E1420-R1424 WeakPolarHBondContact O-CB 3.05Å; E1420-R1424 PolarHBondContact O-N 3.44Å
1421	E	47.7	Very low	48.8	Very low	107 Å²	107	107.6 Å²	107.6	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-69.3	-36.8	178.2	-166.4	-174.9	144.4	0	0	111.8	K1417 E1419 K1425	K1417-E1421 WeakPolarHBondContact O-CB 2.99Å; K1417-E1421 PolarHBondContact O-N 2.84Å; E1419-E1421 PolarHBondContact O-N 3.01Å; E1421-K1425 HydrophobicContact CG-CD 4.47Å; E1421-K1425 WeakPolarHBondContact O-CB 3.45Å; E1421-K1425 WeakPolarHBondContact O-CD 2.91Å; E1421-K1425 VanDerWaalsContact O-CG 3.23Å; E1421-K1425 WeakPolarHBondContact O-CG 3.06Å; E1421-K1425 PolarHBondContact O-N 2.73Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.09Å; E1421-K1425 IonicContact OE1-NZ 3.52Å; E1421-K1425 PolarHBondContact OE1-NZ 3.28Å
1422	V	57.7	Low	49.1	Very low	68 Å²	68	104.6 Å²	104.6	41%	0.412	49%	0.488	S	S	.	.	H	α-helix	trans	-69.3	-38.3	172.8	164.8	0	0	0	0	111.2	K1418 E1419 K1425 R1426	K1418-V1422 VanDerWaalsContact O-CB 3.25Å; K1418-V1422 WeakPolarHBondContact O-CB 2.99Å; K1418-V1422 WeakPolarHBondContact O-CG2 3.34Å; K1418-V1422 PolarHBondContact O-N 3.13Å; E1419-V1422 PolarHBondContact O-N 2.84Å; V1422-K1425 PolarHBondContact O-N 3.15Å; V1422-R1426 HydrophobicContact CG1-CG 4.5Å; V1422-R1426 WeakPolarHBondContact O-CB 3.28Å; V1422-R1426 VanDerWaalsContact O-CG 3.31Å; V1422-R1426 WeakPolarHBondContact O-CG 3.3Å; V1422-R1426 PolarHBondContact O-N 2.74Å
1423	E	48.8	Very low	48.9	Very low	76 Å²	76	106.1 Å²	106.1	36%	0.355	50%	0.495	S	S	.	.	H	α-helix	trans	-72.3	-36.8	178.1	-174.5	64.7	-173.4	0	0	111.8	E1419 E1420 K1427	E1419-E1423 WeakPolarHBondContact O-CB 3.02Å; E1419-E1423 PolarHBondContact O-N 3.06Å; E1420-E1423 PolarHBondContact O-N 3.19Å; E1423-K1427 HydrophobicContact CG-CD 4.39Å; E1423-K1427 WeakPolarHBondContact O-CB 2.89Å; E1423-K1427 WeakPolarHBondContact O-CG 3.33Å; E1423-K1427 PolarHBondContact O-N 3.42Å; E1423-K1427 WeakPolarHBondContact OE1-CE 2.92Å; E1423-K1427 IonicContact OE1-NZ 3.06Å; E1423-K1427 PolarHBondContact OE1-NZ 2.79Å
1424	R	51.8	Low	48.3	Very low	166 Å²	166	107.2 Å²	107.2	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-44.6	167.9	-110.1	-166.7	72.1	171.6	1.3	111.4	E1420 K1427 E1428	E1420-R1424 WeakPolarHBondContact O-CB 3.05Å; E1420-R1424 PolarHBondContact O-N 3.44Å; R1424-K1427 CarbonylContact O-C 3.58Å; R1424-K1427 PolarHBondContact O-N 3.41Å; R1424-E1428 IonicContact CZ-OE1 3.46Å; R1424-E1428 VanDerWaalsContact CZ-OE1 3.23Å; R1424-E1428 IonicContact NE-OE1 2.6Å; R1424-E1428 PolarHBondContact NE-OE1 2.81Å; R1424-E1428 IonicContact NH2-OE1 3.45Å; R1424-E1428 PolarHBondContact NH2-OE1 3.05Å; R1424-E1428 WeakPolarHBondContact O-CB 2.82Å; R1424-E1428 WeakPolarHBondContact O-CG 3.29Å; R1424-E1428 PolarHBondContact O-N 2.94Å
1425	K	45.2	Very low	48.3	Very low	102 Å²	102	107.6 Å²	107.6	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-50.5	175.8	-79.7	168.7	-175	166.1	0	110.8	E1421 V1422 K1427 E1428 E1429	E1421-K1425 HydrophobicContact CG-CD 4.47Å; E1421-K1425 WeakPolarHBondContact O-CB 3.45Å; E1421-K1425 WeakPolarHBondContact O-CD 2.91Å; E1421-K1425 VanDerWaalsContact O-CG 3.23Å; E1421-K1425 WeakPolarHBondContact O-CG 3.06Å; E1421-K1425 PolarHBondContact O-N 2.73Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.09Å; E1421-K1425 IonicContact OE1-NZ 3.52Å; E1421-K1425 PolarHBondContact OE1-NZ 3.28Å; V1422-K1425 PolarHBondContact O-N 3.15Å; K1425-K1427 VanDerWaalsContact C-N 3.26Å; K1425-K1427 PolarHBondContact O-N 3.19Å; K1425-E1428 CarbonylContact O-C 3.51Å; K1425-E1428 PolarHBondContact O-N 3.42Å; K1425-E1429 WeakPolarHBondContact O-CB 3.25Å; K1425-E1429 PolarHBondContact O-N 2.92Å
1426	R	54.8	Low	48	Very low	154 Å²	154	111.1 Å²	111.1	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-52.4	-41.2	173.3	-77.7	172.9	172.1	175.8	-3	112.6	V1422 E1429 E1430	V1422-R1426 HydrophobicContact CG1-CG 4.5Å; V1422-R1426 WeakPolarHBondContact O-CB 3.28Å; V1422-R1426 VanDerWaalsContact O-CG 3.31Å; V1422-R1426 WeakPolarHBondContact O-CG 3.3Å; V1422-R1426 PolarHBondContact O-N 2.74Å; R1426-E1429 PolarHBondContact O-N 3.32Å; R1426-E1430 WeakPolarHBondContact O-CB 3.31Å; R1426-E1430 PolarHBondContact O-N 2.94Å
1427	K	44.4	Very low	47	Very low	104 Å²	104	109.1 Å²	109.1	45%	0.452	52%	0.522	S	S	.	.	H	α-helix	trans	-78.3	-22.6	178.1	-77.1	164.6	173.4	151.7	0	114.8	E1423 R1424 K1425 K1431	E1423-K1427 HydrophobicContact CG-CD 4.39Å; E1423-K1427 WeakPolarHBondContact O-CB 2.89Å; E1423-K1427 WeakPolarHBondContact O-CG 3.33Å; E1423-K1427 PolarHBondContact O-N 3.42Å; E1423-K1427 WeakPolarHBondContact OE1-CE 2.92Å; E1423-K1427 IonicContact OE1-NZ 3.06Å; E1423-K1427 PolarHBondContact OE1-NZ 2.79Å; R1424-K1427 CarbonylContact O-C 3.58Å; R1424-K1427 PolarHBondContact O-N 3.41Å; K1425-K1427 VanDerWaalsContact C-N 3.26Å; K1425-K1427 PolarHBondContact O-N 3.19Å; K1427-K1431 WeakPolarHBondContact O-CB 3.44Å; K1427-K1431 VanDerWaalsContact O-CD 3.29Å; K1427-K1431 WeakPolarHBondContact O-CD 3.39Å; K1427-K1431 WeakPolarHBondContact O-CG 3.32Å
1428	E	49.4	Very low	46.9	Very low	100 Å²	100	110.8 Å²	110.8	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-80.2	-33.8	168.3	-76.3	169.7	-156.4	0	0	111.1	R1424 K1425 A1432	R1424-E1428 IonicContact CZ-OE1 3.46Å; R1424-E1428 VanDerWaalsContact CZ-OE1 3.23Å; R1424-E1428 IonicContact NE-OE1 2.6Å; R1424-E1428 PolarHBondContact NE-OE1 2.81Å; R1424-E1428 IonicContact NH2-OE1 3.45Å; R1424-E1428 PolarHBondContact NH2-OE1 3.05Å; R1424-E1428 WeakPolarHBondContact O-CB 2.82Å; R1424-E1428 WeakPolarHBondContact O-CG 3.29Å; R1424-E1428 PolarHBondContact O-N 2.94Å; K1425-E1428 CarbonylContact O-C 3.51Å; K1425-E1428 PolarHBondContact O-N 3.42Å; E1428-A1432 VanDerWaalsContact O-CB 3.3Å; E1428-A1432 WeakPolarHBondContact O-CB 3.25Å; E1428-A1432 PolarHBondContact O-N 2.98Å
1429	E	45	Very low	46.4	Very low	116 Å²	116	112 Å²	112	54%	0.542	54%	0.537	S	S	.	.	H	α-helix	trans	-78.3	-44	-178.3	-164.9	151.5	-116	0	0	111.2	K1425 R1426 K1431 A1432 E1433	K1425-E1429 WeakPolarHBondContact O-CB 3.25Å; K1425-E1429 PolarHBondContact O-N 2.92Å; R1426-E1429 PolarHBondContact O-N 3.32Å; E1429-K1431 VanDerWaalsContact C-N 3.28Å; E1429-K1431 PolarHBondContact O-N 2.75Å; E1429-A1432 CarbonylContact O-C 3.58Å; E1429-A1432 WeakPolarHBondContact O-CA 3.01Å; E1429-A1432 WeakPolarHBondContact O-CB 3.31Å; E1429-A1432 PolarHBondContact O-N 3.19Å; E1429-E1433 WeakPolarHBondContact O-CB 3.07Å; E1429-E1433 WeakPolarHBondContact O-CG 2.97Å; E1429-E1433 PolarHBondContact O-N 2.71Å
1430	E	49.4	Very low	45.9	Very low	132 Å²	132	108.7 Å²	108.7	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-60.9	-35.9	169.8	-177.2	-177.3	-136.7	0	0	111.5	R1426 S1434	R1426-E1430 WeakPolarHBondContact O-CB 3.31Å; R1426-E1430 PolarHBondContact O-N 2.94Å; E1430-S1434 WeakPolarHBondContact O-CB 3.08Å; E1430-S1434 PolarHBondContact O-N 3.18Å
1431	K	36.9	Very low	45	Very low	144 Å²	144	106.6 Å²	106.6	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-69.8	-40.9	170.3	-76.2	176.2	-174.2	176.2	0	111.9	K1427 E1429 S1434 I1435	K1427-K1431 WeakPolarHBondContact O-CB 3.44Å; K1427-K1431 VanDerWaalsContact O-CD 3.29Å; K1427-K1431 WeakPolarHBondContact O-CD 3.39Å; K1427-K1431 WeakPolarHBondContact O-CG 3.32Å; E1429-K1431 VanDerWaalsContact C-N 3.28Å; E1429-K1431 PolarHBondContact O-N 2.75Å; K1431-S1434 PolarHBondContact O-N 3.44Å; K1431-I1435 VanDerWaalsContact O-CG1 3.31Å; K1431-I1435 WeakPolarHBondContact O-CG1 3.23Å; K1431-I1435 PolarHBondContact O-N 2.92Å
1432	A	48.1	Very low	44.8	Very low	49 Å²	49	104.3 Å²	104.3	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-39.8	175.7	0	0	0	0	0	111.4	E1428 E1429 I1435 Q1436	E1428-A1432 VanDerWaalsContact O-CB 3.3Å; E1428-A1432 WeakPolarHBondContact O-CB 3.25Å; E1428-A1432 PolarHBondContact O-N 2.98Å; E1429-A1432 CarbonylContact O-C 3.58Å; E1429-A1432 WeakPolarHBondContact O-CA 3.01Å; E1429-A1432 WeakPolarHBondContact O-CB 3.31Å; E1429-A1432 PolarHBondContact O-N 3.19Å; A1432-I1435 PolarHBondContact O-N 3.43Å; A1432-Q1436 WeakPolarHBondContact O-CA 3.44Å; A1432-Q1436 WeakPolarHBondContact O-CB 3.35Å; A1432-Q1436 PolarHBondContact O-N 3.31Å
1433	E	48.1	Very low	43.8	Very low	134 Å²	134	107.4 Å²	107.4	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-68.5	-36	173.9	-75.1	-162.6	136.4	0	0	112.4	E1429 G1437	E1429-E1433 WeakPolarHBondContact O-CB 3.07Å; E1429-E1433 WeakPolarHBondContact O-CG 2.97Å; E1429-E1433 PolarHBondContact O-N 2.71Å; E1433-G1437 VanDerWaalsContact O-CA 3.31Å; E1433-G1437 WeakPolarHBondContact O-CA 3.48Å; E1433-G1437 PolarHBondContact O-N 3.13Å
1434	S	35.7	Very low	43.3	Very low	83 Å²	83	108.9 Å²	108.9	58%	0.58	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-49.4	170.8	-177.3	0	0	0	0	111.2	E1430 K1431 G1437 E1438	E1430-S1434 WeakPolarHBondContact O-CB 3.08Å; E1430-S1434 PolarHBondContact O-N 3.18Å; K1431-S1434 PolarHBondContact O-N 3.44Å; S1434-G1437 PolarHBondContact O-N 2.82Å; S1434-E1438 PolarHBondContact O-N 2.7Å
1435	I	49.6	Very low	42.6	Very low	111 Å²	111	106.4 Å²	106.4	57%	0.569	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-40.5	178.3	-66.5	165.6	0	0	0	111.4	K1431 A1432 K1439	K1431-I1435 VanDerWaalsContact O-CG1 3.31Å; K1431-I1435 WeakPolarHBondContact O-CG1 3.23Å; K1431-I1435 PolarHBondContact O-N 2.92Å; A1432-I1435 PolarHBondContact O-N 3.43Å; I1435-K1439 WeakPolarHBondContact O-CB 3.44Å; I1435-K1439 PolarHBondContact O-N 2.68Å
1436	Q	39.6	Very low	42.6	Very low	131 Å²	131	107.9 Å²	107.9	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-73	-34.7	179.5	-175.7	162.3	-57.7	0	0	111.2	A1432 K1439 V1440	A1432-Q1436 WeakPolarHBondContact O-CA 3.44Å; A1432-Q1436 WeakPolarHBondContact O-CB 3.35Å; A1432-Q1436 PolarHBondContact O-N 3.31Å; Q1436-K1439 CarbonylContact O-C 3.32Å; Q1436-K1439 PolarHBondContact O-N 3.09Å; Q1436-V1440 HydrophobicContact CG-CG2 4.42Å; Q1436-V1440 VanDerWaalsContact O-CB 3.28Å; Q1436-V1440 WeakPolarHBondContact O-CB 3.44Å; Q1436-V1440 WeakPolarHBondContact O-CG2 3.44Å; Q1436-V1440 PolarHBondContact O-N 3.4Å
1437	G	35	Very low	42.2	Very low	37 Å²	37	105.6 Å²	105.6	38%	0.381	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-47.4	171.7	0	0	0	0	0	111.5	E1433 S1434 K1439 V1440 E1441	E1433-G1437 VanDerWaalsContact O-CA 3.31Å; E1433-G1437 WeakPolarHBondContact O-CA 3.48Å; E1433-G1437 PolarHBondContact O-N 3.13Å; S1434-G1437 PolarHBondContact O-N 2.82Å; G1437-K1439 VanDerWaalsContact C-N 3.3Å; G1437-K1439 PolarHBondContact O-N 2.62Å; G1437-V1440 PolarHBondContact O-N 3.26Å; G1437-E1441 WeakPolarHBondContact O-CB 3.19Å; G1437-E1441 PolarHBondContact O-N 3.02Å
1438	E	43.7	Very low	42	Very low	147 Å²	147	105.7 Å²	105.7	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-62.6	-37.3	172.7	-171.6	170.4	-142.9	0	0	111.9	S1434 S1442	S1434-E1438 PolarHBondContact O-N 2.7Å; E1438-S1442 WeakPolarHBondContact O-CB 3.49Å; E1438-S1442 PolarHBondContact O-N 2.64Å; E1438-S1442 PolarHBondContact O-OG 2.74Å
1439	K	35.7	Very low	41.8	Very low	136 Å²	136	104.7 Å²	104.7	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-72.2	-27.3	175.8	-161.7	169	-169.3	170.1	0	114	I1435 Q1436 G1437 S1442 K1443	I1435-K1439 WeakPolarHBondContact O-CB 3.44Å; I1435-K1439 PolarHBondContact O-N 2.68Å; Q1436-K1439 CarbonylContact O-C 3.32Å; Q1436-K1439 PolarHBondContact O-N 3.09Å; G1437-K1439 VanDerWaalsContact C-N 3.3Å; G1437-K1439 PolarHBondContact O-N 2.62Å; K1439-S1442 VanDerWaalsContact CA-OG 3.3Å; K1439-S1442 WeakPolarHBondContact CA-OG 3.44Å; K1439-S1442 PolarHBondContact O-OG 2.86Å; K1439-K1443 VanDerWaalsContact O-CB 3.32Å; K1439-K1443 WeakPolarHBondContact O-CB 3.39Å; K1439-K1443 VanDerWaalsContact O-CG 3.28Å; K1439-K1443 WeakPolarHBondContact O-CG 3.13Å; K1439-K1443 PolarHBondContact O-N 3Å
1440	V	43	Very low	42.4	Very low	56 Å²	56	103.1 Å²	103.1	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-82	-38.4	173.3	164.5	0	0	0	0	110.5	Q1436 G1437 K1443 R1444	Q1436-V1440 HydrophobicContact CG-CG2 4.42Å; Q1436-V1440 VanDerWaalsContact O-CB 3.28Å; Q1436-V1440 WeakPolarHBondContact O-CB 3.44Å; Q1436-V1440 WeakPolarHBondContact O-CG2 3.44Å; Q1436-V1440 PolarHBondContact O-N 3.4Å; G1437-V1440 PolarHBondContact O-N 3.26Å; V1440-K1443 PolarHBondContact O-N 2.77Å; V1440-R1444 HydrophobicContact CG1-CG 4.26Å; V1440-R1444 VanDerWaalsContact O-CB 3.25Å; V1440-R1444 WeakPolarHBondContact O-CB 3.5Å; V1440-R1444 VanDerWaalsContact O-CG 3.23Å; V1440-R1444 WeakPolarHBondContact O-CG 3.1Å; V1440-R1444 PolarHBondContact O-N 2.76Å
1441	E	36.3	Very low	42.3	Very low	85 Å²	85	102.1 Å²	102.1	40%	0.397	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-38.5	176.2	179.9	64.2	-168.7	0	0	111.8	G1437 K1445	G1437-E1441 WeakPolarHBondContact O-CB 3.19Å; G1437-E1441 PolarHBondContact O-N 3.02Å; E1441-K1445 VanDerWaalsContact CG-NZ 3.33Å; E1441-K1445 WeakPolarHBondContact O-CD 3.4Å; E1441-K1445 WeakPolarHBondContact O-CG 3.35Å; E1441-K1445 PolarHBondContact O-N 2.74Å; E1441-K1445 WeakPolarHBondContact OE1-CE 3.14Å; E1441-K1445 IonicContact OE1-NZ 2.81Å; E1441-K1445 PolarHBondContact OE1-NZ 2.58Å
1442	S	41.8	Very low	42.7	Very low	60 Å²	60	100.4 Å²	100.4	42%	0.42	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-46.1	170.5	47.5	0	0	0	0	112.4	E1438 K1439 R1444 K1445 E1446	E1438-S1442 WeakPolarHBondContact O-CB 3.49Å; E1438-S1442 PolarHBondContact O-N 2.64Å; E1438-S1442 PolarHBondContact O-OG 2.74Å; K1439-S1442 VanDerWaalsContact CA-OG 3.3Å; K1439-S1442 WeakPolarHBondContact CA-OG 3.44Å; K1439-S1442 PolarHBondContact O-OG 2.86Å; S1442-R1444 PolarHBondContact O-N 3.27Å; S1442-K1445 WeakPolarHBondContact O-CB 3.38Å; S1442-K1445 PolarHBondContact O-N 2.73Å; S1442-K1445 VanDerWaalsContact O-N 3.13Å; S1442-E1446 PolarHBondContact O-N 2.94Å
1443	K	38.4	Very low	42.9	Very low	132 Å²	132	105 Å²	105	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-60.7	-39.2	173.1	-84.1	-176.3	170.7	-168.7	0	113.6	K1439 V1440 K1445 E1446 E1447	K1439-K1443 VanDerWaalsContact O-CB 3.32Å; K1439-K1443 WeakPolarHBondContact O-CB 3.39Å; K1439-K1443 VanDerWaalsContact O-CG 3.28Å; K1439-K1443 WeakPolarHBondContact O-CG 3.13Å; K1439-K1443 PolarHBondContact O-N 3Å; V1440-K1443 PolarHBondContact O-N 2.77Å; K1443-K1445 VanDerWaalsContact C-N 3.28Å; K1443-K1445 PolarHBondContact O-N 2.73Å; K1443-E1446 PolarHBondContact O-N 3.46Å; K1443-E1447 WeakPolarHBondContact O-CB 3.38Å; K1443-E1447 PolarHBondContact O-N 3.32Å
1444	R	37.2	Very low	43.1	Very low	108 Å²	108	105.1 Å²	105.1	41%	0.408	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-37.1	175	-80.6	172.3	173.1	178.6	-2.6	110.6	V1440 S1442 E1448 E1763	V1440-R1444 HydrophobicContact CG1-CG 4.26Å; V1440-R1444 VanDerWaalsContact O-CB 3.25Å; V1440-R1444 WeakPolarHBondContact O-CB 3.5Å; V1440-R1444 VanDerWaalsContact O-CG 3.23Å; V1440-R1444 WeakPolarHBondContact O-CG 3.1Å; V1440-R1444 PolarHBondContact O-N 2.76Å; S1442-R1444 PolarHBondContact O-N 3.27Å; R1444-E1448 VanDerWaalsContact O-CB 3.23Å; R1444-E1448 WeakPolarHBondContact O-CB 3.4Å; R1444-E1448 PolarHBondContact O-N 3.44Å; R1444-E1763 IonicContact CZ-OE1 3.94Å; R1444-E1763 IonicContact NH2-OE1 3.44Å; R1444-E1763 PolarHBondContact NH2-OE1 3.33Å
1445	K	37.7	Very low	43.4	Very low	114 Å²	114	106.3 Å²	106.3	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-43.3	173.8	-74.4	162.5	-173.3	156.7	0	112.4	E1441 S1442 K1443 T1449	E1441-K1445 VanDerWaalsContact CG-NZ 3.33Å; E1441-K1445 WeakPolarHBondContact O-CD 3.4Å; E1441-K1445 WeakPolarHBondContact O-CG 3.35Å; E1441-K1445 PolarHBondContact O-N 2.74Å; E1441-K1445 WeakPolarHBondContact OE1-CE 3.14Å; E1441-K1445 IonicContact OE1-NZ 2.81Å; E1441-K1445 PolarHBondContact OE1-NZ 2.58Å; S1442-K1445 WeakPolarHBondContact O-CB 3.38Å; S1442-K1445 PolarHBondContact O-N 2.73Å; S1442-K1445 VanDerWaalsContact O-N 3.13Å; K1443-K1445 VanDerWaalsContact C-N 3.28Å; K1443-K1445 PolarHBondContact O-N 2.73Å; K1445-T1449 WeakPolarHBondContact O-CG2 3.4Å; K1445-T1449 PolarHBondContact O-N 2.58Å; K1445-T1449 PolarHBondContact O-OG1 2.77Å
1446	E	45.2	Very low	43.6	Very low	132 Å²	132	104.6 Å²	104.6	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-61.3	-47.5	171.5	-75.4	-171.5	125.7	0	0	112.1	S1442 K1443 E1448 T1449 V1450	S1442-E1446 PolarHBondContact O-N 2.94Å; K1443-E1446 PolarHBondContact O-N 3.46Å; E1446-E1448 VanDerWaalsContact C-N 3.3Å; E1446-E1448 PolarHBondContact O-N 3.08Å; E1446-T1449 PolarHBondContact O-N 3.26Å; E1446-T1449 PolarHBondContact O-OG1 3.18Å; E1446-V1450 WeakPolarHBondContact O-CG2 3.2Å; E1446-V1450 PolarHBondContact O-N 3.23Å
1447	E	45.9	Very low	43.9	Very low	107 Å²	107	102 Å²	102	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-31.4	-177.1	-149.8	-160.4	172.4	0	0	111.8	K1443 K1451	K1443-E1447 WeakPolarHBondContact O-CB 3.38Å; K1443-E1447 PolarHBondContact O-N 3.32Å; E1447-K1451 HydrophobicContact CG-CD 4.44Å; E1447-K1451 VanDerWaalsContact O-CB 3.31Å; E1447-K1451 WeakPolarHBondContact O-CB 3.39Å; E1447-K1451 WeakPolarHBondContact O-CD 3.5Å; E1447-K1451 VanDerWaalsContact O-CG 3.25Å; E1447-K1451 WeakPolarHBondContact O-CG 3.41Å; E1447-K1451 PolarHBondContact O-N 2.75Å; E1447-K1451 WeakPolarHBondContact OE1-CE 3.45Å; E1447-K1451 IonicContact OE1-NZ 3.55Å; E1447-K1451 PolarHBondContact OE1-NZ 3.04Å; E1447-K1451 IonicContact OE2-NZ 3.04Å; E1447-K1451 PolarHBondContact OE2-NZ 3.46Å
1448	E	41.4	Very low	44.7	Very low	105 Å²	105	108 Å²	108	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-71.5	-35.8	172.7	-154.5	-153	-179.9	0	0	112.1	R1444 E1446 K1452	R1444-E1448 VanDerWaalsContact O-CB 3.23Å; R1444-E1448 WeakPolarHBondContact O-CB 3.4Å; R1444-E1448 PolarHBondContact O-N 3.44Å; E1446-E1448 VanDerWaalsContact C-N 3.3Å; E1446-E1448 PolarHBondContact O-N 3.08Å; E1448-K1452 VanDerWaalsContact CD-CE 3.49Å; E1448-K1452 WeakPolarHBondContact O-CB 2.99Å; E1448-K1452 WeakPolarHBondContact O-CD 3.49Å; E1448-K1452 WeakPolarHBondContact O-CG 3.38Å; E1448-K1452 PolarHBondContact O-N 3.34Å; E1448-K1452 VanDerWaalsContact O-N 3.09Å; E1448-K1452 WeakPolarHBondContact OE1-CE 3.22Å; E1448-K1452 IonicContact OE1-NZ 3.78Å; E1448-K1452 PolarHBondContact OE1-NZ 2.91Å; E1448-K1452 IonicContact OE2-NZ 2.81Å; E1448-K1452 PolarHBondContact OE2-NZ 2.86Å
1449	T	45.2	Very low	44.8	Very low	79 Å²	79	106.2 Å²	106.2	49%	0.485	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-44.6	171.9	53.3	0	0	0	0	111.4	K1445 E1446 K1451 K1452 E1453	K1445-T1449 WeakPolarHBondContact O-CG2 3.4Å; K1445-T1449 PolarHBondContact O-N 2.58Å; K1445-T1449 PolarHBondContact O-OG1 2.77Å; E1446-T1449 PolarHBondContact O-N 3.26Å; E1446-T1449 PolarHBondContact O-OG1 3.18Å; T1449-K1451 PolarHBondContact O-N 3.09Å; T1449-K1452 WeakPolarHBondContact O-CB 3.23Å; T1449-K1452 PolarHBondContact O-N 3.16Å; T1449-K1452 VanDerWaalsContact O-N 3.16Å; T1449-E1453 PolarHBondContact O-N 2.83Å
1450	V	56.3	Low	45.5	Very low	83 Å²	83	106.3 Å²	106.3	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-45	176.6	172.2	0	0	0	0	111.4	E1446 K1452 E1453 E1454	E1446-V1450 WeakPolarHBondContact O-CG2 3.2Å; E1446-V1450 PolarHBondContact O-N 3.23Å; V1450-K1452 VanDerWaalsContact C-N 3.32Å; V1450-K1452 PolarHBondContact O-N 2.62Å; V1450-E1453 PolarHBondContact O-N 3.28Å; V1450-E1454 WeakPolarHBondContact O-CB 3.49Å; V1450-E1454 PolarHBondContact O-N 3.24Å
1451	K	48	Very low	45.5	Very low	112 Å²	112	108.6 Å²	108.6	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-35.7	175.6	-76.5	166.8	-177.7	162.9	0	112.5	E1447 T1449 E1455	E1447-K1451 HydrophobicContact CG-CD 4.44Å; E1447-K1451 VanDerWaalsContact O-CB 3.31Å; E1447-K1451 WeakPolarHBondContact O-CB 3.39Å; E1447-K1451 WeakPolarHBondContact O-CD 3.5Å; E1447-K1451 VanDerWaalsContact O-CG 3.25Å; E1447-K1451 WeakPolarHBondContact O-CG 3.41Å; E1447-K1451 PolarHBondContact O-N 2.75Å; E1447-K1451 WeakPolarHBondContact OE1-CE 3.45Å; E1447-K1451 IonicContact OE1-NZ 3.55Å; E1447-K1451 PolarHBondContact OE1-NZ 3.04Å; E1447-K1451 IonicContact OE2-NZ 3.04Å; E1447-K1451 PolarHBondContact OE2-NZ 3.46Å; T1449-K1451 PolarHBondContact O-N 3.09Å; K1451-E1455 WeakPolarHBondContact O-CB 3.35Å; K1451-E1455 PolarHBondContact O-N 2.65Å
1452	K	45.3	Very low	45.9	Very low	107 Å²	107	110.1 Å²	110.1	47%	0.465	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-41.3	173.9	-75.3	165.3	-174.6	167	0	111.9	E1448 T1449 V1450 V1456	E1448-K1452 VanDerWaalsContact CD-CE 3.49Å; E1448-K1452 WeakPolarHBondContact O-CB 2.99Å; E1448-K1452 WeakPolarHBondContact O-CD 3.49Å; E1448-K1452 WeakPolarHBondContact O-CG 3.38Å; E1448-K1452 PolarHBondContact O-N 3.34Å; E1448-K1452 VanDerWaalsContact O-N 3.09Å; E1448-K1452 WeakPolarHBondContact OE1-CE 3.22Å; E1448-K1452 IonicContact OE1-NZ 3.78Å; E1448-K1452 PolarHBondContact OE1-NZ 2.91Å; E1448-K1452 IonicContact OE2-NZ 2.81Å; E1448-K1452 PolarHBondContact OE2-NZ 2.86Å; T1449-K1452 WeakPolarHBondContact O-CB 3.23Å; T1449-K1452 PolarHBondContact O-N 3.16Å; T1449-K1452 VanDerWaalsContact O-N 3.16Å; V1450-K1452 VanDerWaalsContact C-N 3.32Å; V1450-K1452 PolarHBondContact O-N 2.62Å; K1452-V1456 WeakPolarHBondContact O-CB 3.07Å; K1452-V1456 VanDerWaalsContact O-CG2 3.25Å; K1452-V1456 WeakPolarHBondContact O-CG2 3.48Å; K1452-V1456 PolarHBondContact O-N 3.21Å; K1452-V1456 VanDerWaalsContact O-N 3.1Å
1453	E	52	Low	46	Very low	146 Å²	146	114.4 Å²	114.4	68%	0.682	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-43.5	174.9	-69.3	-162.2	141.1	0	0	112	T1449 V1450 V1456 E1457	T1449-E1453 PolarHBondContact O-N 2.83Å; V1450-E1453 PolarHBondContact O-N 3.28Å; E1453-V1456 PolarHBondContact O-N 3.46Å; E1453-E1457 WeakPolarHBondContact O-CB 3.25Å; E1453-E1457 PolarHBondContact O-N 2.94Å
1454	E	52.7	Low	46.1	Very low	137 Å²	137	114.4 Å²	114.4	64%	0.64	52%	0.524	S	S	*	.	H	α-helix	trans	-68.1	-35.8	179.9	-162.5	177.3	-136.3	0	0	112.5	V1450 E1457 R1458	V1450-E1454 WeakPolarHBondContact O-CB 3.49Å; V1450-E1454 PolarHBondContact O-N 3.24Å; E1454-E1457 PolarHBondContact O-N 2.83Å; E1454-R1458 WeakPolarHBondContact O-CB 3.5Å; E1454-R1458 PolarHBondContact O-N 3.14Å
1455	E	42.4	Very low	46.1	Very low	108 Å²	108	118 Å²	118	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-37.7	172.9	-161.9	-170.7	159.5	0	0	112.2	K1451 R1458 K1459	K1451-E1455 WeakPolarHBondContact O-CB 3.35Å; K1451-E1455 PolarHBondContact O-N 2.65Å; E1455-R1458 PolarHBondContact O-N 2.77Å; E1455-K1459 WeakPolarHBondContact O-CG 3.33Å; E1455-K1459 PolarHBondContact O-N 3.2Å; E1455-K1459 WeakPolarHBondContact OE1-CE 3.35Å; E1455-K1459 IonicContact OE1-NZ 2.88Å; E1455-K1459 PolarHBondContact OE1-NZ 2.62Å
1456	V	52.4	Low	46.3	Very low	74 Å²	74	116.5 Å²	116.5	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-42.5	173.4	165.8	0	0	0	0	111	K1452 E1453 K1459 R1460	K1452-V1456 WeakPolarHBondContact O-CB 3.07Å; K1452-V1456 VanDerWaalsContact O-CG2 3.25Å; K1452-V1456 WeakPolarHBondContact O-CG2 3.48Å; K1452-V1456 PolarHBondContact O-N 3.21Å; K1452-V1456 VanDerWaalsContact O-N 3.1Å; E1453-V1456 PolarHBondContact O-N 3.46Å; V1456-K1459 PolarHBondContact O-N 3.11Å; V1456-R1460 WeakPolarHBondContact O-CG 3.48Å; V1456-R1460 PolarHBondContact O-N 3.33Å
1457	E	45.7	Very low	45.6	Very low	78 Å²	78	115.5 Å²	115.5	36%	0.364	55%	0.547	S	S	.	.	H	α-helix	trans	-67.8	-36.2	178.1	-175	65	-178.6	0	0	112	E1453 E1454 K1461	E1453-E1457 WeakPolarHBondContact O-CB 3.25Å; E1453-E1457 PolarHBondContact O-N 2.94Å; E1454-E1457 PolarHBondContact O-N 2.83Å; E1457-K1461 HydrophobicContact CG-CD 4.38Å; E1457-K1461 VanDerWaalsContact CG-NZ 3.32Å; E1457-K1461 WeakPolarHBondContact O-CG 3.42Å; E1457-K1461 PolarHBondContact O-N 2.89Å; E1457-K1461 VanDerWaalsContact O-N 3.1Å; E1457-K1461 WeakPolarHBondContact OE1-CE 3.49Å; E1457-K1461 IonicContact OE1-NZ 2.64Å; E1457-K1461 PolarHBondContact OE1-NZ 3.49Å
1458	R	52.3	Low	45.1	Very low	161 Å²	161	113.4 Å²	113.4	61%	0.608	55%	0.554	S	S	*	*	H	α-helix	trans	-60.7	-48.6	168.8	-100.6	-162.3	63.4	155.7	1	112.2	E1454 E1455 R1460 K1461 E1462	E1454-R1458 WeakPolarHBondContact O-CB 3.5Å; E1454-R1458 PolarHBondContact O-N 3.14Å; E1455-R1458 PolarHBondContact O-N 2.77Å; R1458-R1460 PolarHBondContact O-N 2.94Å; R1458-K1461 PolarHBondContact O-N 2.91Å; R1458-K1461 VanDerWaalsContact O-N 3.15Å; R1458-E1462 IonicContact CZ-OE2 2.65Å; R1458-E1462 IonicContact NE-OE2 2.82Å; R1458-E1462 IonicContact NH2-OE2 2.78Å; R1458-E1462 PolarHBondContact NH2-OE2 3.22Å; R1458-E1462 PolarHBondContact O-N 2.91Å
1459	K	45.6	Very low	44.9	Very low	110 Å²	110	115.2 Å²	115.2	48%	0.478	57%	0.572	S	S	.	*	H	α-helix	trans	-62.3	-42.1	-179.5	-74.7	169.9	-174.5	165.5	0	111.7	E1455 V1456 K1461 E1462 E1463	E1455-K1459 WeakPolarHBondContact O-CG 3.33Å; E1455-K1459 PolarHBondContact O-N 3.2Å; E1455-K1459 WeakPolarHBondContact OE1-CE 3.35Å; E1455-K1459 IonicContact OE1-NZ 2.88Å; E1455-K1459 PolarHBondContact OE1-NZ 2.62Å; V1456-K1459 PolarHBondContact O-N 3.11Å; K1459-K1461 VanDerWaalsContact C-N 3.34Å; K1459-K1461 PolarHBondContact O-N 3.1Å; K1459-E1462 PolarHBondContact O-N 2.92Å; K1459-E1463 PolarHBondContact O-N 3.09Å
1460	R	50.1	Low	44.7	Very low	138 Å²	138	121.8 Å²	121.8	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-56.2	-45	171.6	-77.1	177	170	162.5	-0.1	112.3	V1456 R1458 E1462 E1463 E1464	V1456-R1460 WeakPolarHBondContact O-CG 3.48Å; V1456-R1460 PolarHBondContact O-N 3.33Å; R1458-R1460 PolarHBondContact O-N 2.94Å; R1460-E1462 VanDerWaalsContact C-N 3.32Å; R1460-E1462 PolarHBondContact O-N 2.85Å; R1460-E1463 PolarHBondContact O-N 3.48Å; R1460-E1464 WeakPolarHBondContact O-CB 3.39Å; R1460-E1464 PolarHBondContact O-N 2.99Å
1461	K	43.5	Very low	43.9	Very low	105 Å²	105	119.7 Å²	119.7	46%	0.457	58%	0.583	S	S	.	*	H	α-helix	trans	-72.5	-18.3	179.4	-74.4	168.4	-177.6	155.9	0	114.6	E1457 R1458 K1459 K1465	E1457-K1461 HydrophobicContact CG-CD 4.38Å; E1457-K1461 VanDerWaalsContact CG-NZ 3.32Å; E1457-K1461 WeakPolarHBondContact O-CG 3.42Å; E1457-K1461 PolarHBondContact O-N 2.89Å; E1457-K1461 VanDerWaalsContact O-N 3.1Å; E1457-K1461 WeakPolarHBondContact OE1-CE 3.49Å; E1457-K1461 IonicContact OE1-NZ 2.64Å; E1457-K1461 PolarHBondContact OE1-NZ 3.49Å; R1458-K1461 PolarHBondContact O-N 2.91Å; R1458-K1461 VanDerWaalsContact O-N 3.15Å; K1459-K1461 VanDerWaalsContact C-N 3.34Å; K1459-K1461 PolarHBondContact O-N 3.1Å; K1461-K1465 WeakPolarHBondContact O-CG 3.4Å
1462	E	44.2	Very low	43.5	Very low	117 Å²	117	122.8 Å²	122.8	55%	0.547	60%	0.6	S	S	.	*	H	α-helix	trans	-85.5	-37.9	169.6	-71.5	-174.1	88.4	0	0	111.8	R1458 K1459 R1460	R1458-E1462 IonicContact CZ-OE2 2.65Å; R1458-E1462 IonicContact NE-OE2 2.82Å; R1458-E1462 IonicContact NH2-OE2 2.78Å; R1458-E1462 PolarHBondContact NH2-OE2 3.22Å; R1458-E1462 PolarHBondContact O-N 2.91Å; K1459-E1462 PolarHBondContact O-N 2.92Å; R1460-E1462 VanDerWaalsContact C-N 3.32Å; R1460-E1462 PolarHBondContact O-N 2.85Å
1463	E	44	Very low	43.1	Very low	149 Å²	149	126.6 Å²	126.6	70%	0.696	62%	0.616	S	S	*	*	H	α-helix	trans	-69.5	-40.6	173	-75.4	-168.6	123.4	0	0	113.4	K1459 R1460 K1465 A1466 E1467	K1459-E1463 PolarHBondContact O-N 3.09Å; R1460-E1463 PolarHBondContact O-N 3.48Å; E1463-K1465 PolarHBondContact O-N 2.89Å; E1463-A1466 WeakPolarHBondContact O-CA 3.44Å; E1463-A1466 WeakPolarHBondContact O-CB 3.41Å; E1463-A1466 PolarHBondContact O-N 2.98Å; E1463-E1467 PolarHBondContact O-N 2.89Å
1464	E	40.5	Very low	42.7	Very low	132 Å²	132	123.5 Å²	123.5	62%	0.617	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-29.3	178.7	-169.5	173.9	-141.9	0	0	111.9	R1460 A1466	R1460-E1464 WeakPolarHBondContact O-CB 3.39Å; R1460-E1464 PolarHBondContact O-N 2.99Å; E1464-A1466 VanDerWaalsContact C-N 3.31Å; E1464-A1466 PolarHBondContact O-N 2.85Å
1465	K	37.8	Very low	42.3	Very low	185 Å²	185	119.4 Å²	119.4	80%	0.804	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-13.7	172.4	-73.5	179.5	-179.2	176.1	0	114	K1461 E1463	K1461-K1465 WeakPolarHBondContact O-CG 3.4Å; E1463-K1465 PolarHBondContact O-N 2.89Å
1466	A	41.1	Very low	42.5	Very low	82 Å²	82	117.4 Å²	117.4	68%	0.678	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-30.7	-177.9	0	0	0	0	0	114.1	E1463 E1464	E1463-A1466 WeakPolarHBondContact O-CA 3.44Å; E1463-A1466 WeakPolarHBondContact O-CB 3.41Å; E1463-A1466 PolarHBondContact O-N 2.98Å; E1464-A1466 VanDerWaalsContact C-N 3.31Å; E1464-A1466 PolarHBondContact O-N 2.85Å
1467	E	30.5	Very low	42	Very low	111 Å²	111	121.2 Å²	121.2	52%	0.519	60%	0.597	S	S	.	*	S	Bend	trans	-91.9	1.8	179.9	-144.4	179	175.9	0	0	114.1	E1463 T1469 R1470 R1478	E1463-E1467 PolarHBondContact O-N 2.89Å; E1467-T1469 PolarHBondContact O-N 3.38Å; E1467-R1470 PolarHBondContact O-N 3.08Å; E1467-R1478 IonicContact OE1-CZ 3.62Å; E1467-R1478 IonicContact OE1-NH1 3.63Å; E1467-R1478 PolarHBondContact OE1-NH1 3.18Å; E1467-R1478 IonicContact OE1-NH2 2.87Å; E1467-R1478 PolarHBondContact OE1-NH2 3.44Å; E1467-R1478 IonicContact OE2-CZ 3.6Å; E1467-R1478 IonicContact OE2-NH1 2.65Å; E1467-R1478 PolarHBondContact OE2-NH1 3.4Å; E1467-R1478 IonicContact OE2-NH2 2.9Å
1468	G	36.7	Very low	42.1	Very low	62 Å²	62	123 Å²	123	64%	0.639	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	21.7	-170.2	0	0	0	0	0	119
1469	T	36.9	Very low	41.6	Very low	143 Å²	143	119.6 Å²	119.6	88%	0.877	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	9.9	176.1	54.2	0	0	0	0	114.7	E1467	E1467-T1469 PolarHBondContact O-N 3.38Å
1470	R	39.9	Very low	41.7	Very low	217 Å²	217	120.4 Å²	120.4	82%	0.819	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	-3.1	169	-145.2	168.9	-176.3	168.5	-0.1	114.4	E1467 E1472	E1467-R1470 PolarHBondContact O-N 3.08Å; R1470-E1472 PolarHBondContact O-N 3.12Å
1471	G	40.6	Very low	41.5	Very low	39 Å²	39	119.3 Å²	119.3	40%	0.402	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	63.4	-171.7	0	0	0	0	0	115.9	E1475	G1471-E1475 VanDerWaalsContact C-CB 3.42Å; G1471-E1475 WeakPolarHBondContact O-CB 3.45Å
1472	E	39.8	Very low	41.8	Very low	177 Å²	177	118.3 Å²	118.3	83%	0.827	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	-35.2	163.3	-162	-179	-159.4	0	0	112.5	R1470 S1476	R1470-E1472 PolarHBondContact O-N 3.12Å; E1472-S1476 PolarHBondContact O-OG 3.01Å
1473	K	37.2	Very low	41.8	Very low	188 Å²	188	116.3 Å²	116.3	82%	0.817	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-13.7	-177.7	-162.7	162.4	-175	169.5	0	115.6
1474	V	43.7	Very low	42.5	Very low	80 Å²	80	112.8 Å²	112.8	49%	0.485	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-29.5	161.7	-179.2	0	0	0	0	109.8	S1476 K1477 R1478	V1474-S1476 PolarHBondContact O-N 3.08Å; V1474-K1477 PolarHBondContact O-N 3.21Å; V1474-K1477 VanDerWaalsContact O-N 3.08Å; V1474-R1478 HydrophobicContact CG1-CG 4.28Å; V1474-R1478 PolarHBondContact O-N 3.27Å
1475	E	44	Very low	43	Very low	51 Å²	51	111.5 Å²	111.5	24%	0.238	57%	0.57	C	S	.	*	H	α-helix	trans	-59.3	-40.1	-179.8	-161.3	58.6	-153.9	0	0	113.7	G1471 K1477 R1478 K1479	G1471-E1475 VanDerWaalsContact C-CB 3.42Å; G1471-E1475 WeakPolarHBondContact O-CB 3.45Å; E1475-K1477 VanDerWaalsContact C-N 3.34Å; E1475-K1477 PolarHBondContact O-N 3.37Å; E1475-R1478 PolarHBondContact O-N 3.46Å; E1475-K1479 HydrophobicContact CG-CD 4.31Å; E1475-K1479 VanDerWaalsContact O-CB 3.23Å; E1475-K1479 WeakPolarHBondContact O-CB 3.29Å; E1475-K1479 WeakPolarHBondContact O-CG 3.49Å; E1475-K1479 PolarHBondContact O-N 3.11Å; E1475-K1479 IonicContact OE1-NZ 3.26Å; E1475-K1479 PolarHBondContact OE1-NZ 2.95Å
1476	S	46.8	Very low	43.4	Very low	67 Å²	67	107.1 Å²	107.1	47%	0.469	55%	0.55	S	S	.	*	H	α-helix	trans	-64.6	-36.3	175.1	32.8	0	0	0	0	112.5	E1472 V1474 E1480	E1472-S1476 PolarHBondContact O-OG 3.01Å; V1474-S1476 PolarHBondContact O-N 3.08Å; S1476-E1480 WeakPolarHBondContact O-CG 3.2Å; S1476-E1480 PolarHBondContact O-N 3.36Å
1477	K	42.2	Very low	44	Very low	153 Å²	153	109.7 Å²	109.7	67%	0.665	55%	0.548	S	S	*	.	H	α-helix	trans	-78.9	-34.9	175	-74.7	-154.3	167	-150.2	0	113.8	V1474 E1475 E1481	V1474-K1477 PolarHBondContact O-N 3.21Å; V1474-K1477 VanDerWaalsContact O-N 3.08Å; E1475-K1477 VanDerWaalsContact C-N 3.34Å; E1475-K1477 PolarHBondContact O-N 3.37Å; K1477-E1481 VanDerWaalsContact O-CB 3.29Å; K1477-E1481 WeakPolarHBondContact O-CB 3.3Å; K1477-E1481 PolarHBondContact O-N 3.41Å
1478	R	45.9	Very low	45.4	Very low	115 Å²	115	110.6 Å²	110.6	43%	0.434	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-40.6	169.9	-87.3	-172.2	179.7	167.9	-0.1	110.6	E1467 V1474 E1475 E1481 E1482	E1467-R1478 IonicContact OE1-CZ 3.62Å; E1467-R1478 IonicContact OE1-NH1 3.63Å; E1467-R1478 PolarHBondContact OE1-NH1 3.18Å; E1467-R1478 IonicContact OE1-NH2 2.87Å; E1467-R1478 PolarHBondContact OE1-NH2 3.44Å; E1467-R1478 IonicContact OE2-CZ 3.6Å; E1467-R1478 IonicContact OE2-NH1 2.65Å; E1467-R1478 PolarHBondContact OE2-NH1 3.4Å; E1467-R1478 IonicContact OE2-NH2 2.9Å; V1474-R1478 HydrophobicContact CG1-CG 4.28Å; V1474-R1478 PolarHBondContact O-N 3.27Å; E1475-R1478 PolarHBondContact O-N 3.46Å; R1478-E1481 CarbonylContact O-C 3.6Å; R1478-E1481 PolarHBondContact O-N 3.19Å; R1478-E1482 WeakPolarHBondContact O-CA 3.42Å; R1478-E1482 WeakPolarHBondContact O-CB 3.31Å; R1478-E1482 PolarHBondContact O-N 3.46Å
1479	K	42.3	Very low	46	Very low	91 Å²	91	112.1 Å²	112.1	40%	0.396	54%	0.543	S	S	.	.	H	α-helix	trans	-71.5	-34.4	175.9	-74.8	-174.7	156.3	95.9	0	112.2	E1475 T1483	E1475-K1479 HydrophobicContact CG-CD 4.31Å; E1475-K1479 VanDerWaalsContact O-CB 3.23Å; E1475-K1479 WeakPolarHBondContact O-CB 3.29Å; E1475-K1479 WeakPolarHBondContact O-CG 3.49Å; E1475-K1479 PolarHBondContact O-N 3.11Å; E1475-K1479 IonicContact OE1-NZ 3.26Å; E1475-K1479 PolarHBondContact OE1-NZ 2.95Å; K1479-T1483 WeakPolarHBondContact O-CB 3.4Å; K1479-T1483 VanDerWaalsContact O-CG2 3.26Å; K1479-T1483 WeakPolarHBondContact O-CG2 3.3Å; K1479-T1483 PolarHBondContact O-N 2.94Å; K1479-T1483 PolarHBondContact O-OG1 3.39Å
1480	E	48.7	Very low	46.7	Very low	127 Å²	127	108.8 Å²	108.8	59%	0.593	52%	0.523	S	S	*	.	H	α-helix	trans	-62.8	-46	165.5	-80.7	-177.2	139.7	0	0	112	S1476 E1482 T1483 V1484	S1476-E1480 WeakPolarHBondContact O-CG 3.2Å; S1476-E1480 PolarHBondContact O-N 3.36Å; E1480-E1482 VanDerWaalsContact C-N 3.33Å; E1480-E1482 PolarHBondContact O-N 3.23Å; E1480-T1483 PolarHBondContact O-OG1 2.96Å; E1480-V1484 VanDerWaalsContact O-CB 3.23Å; E1480-V1484 WeakPolarHBondContact O-CB 3.21Å; E1480-V1484 WeakPolarHBondContact O-CG2 3.34Å; E1480-V1484 PolarHBondContact O-N 3.43Å
1481	E	46.2	Very low	47.3	Very low	114 Å²	114	102.8 Å²	102.8	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-74.5	-21.7	-178.9	-156.8	-174.2	-111.5	0	0	112.9	K1477 R1478 K1485	K1477-E1481 VanDerWaalsContact O-CB 3.29Å; K1477-E1481 WeakPolarHBondContact O-CB 3.3Å; K1477-E1481 PolarHBondContact O-N 3.41Å; R1478-E1481 CarbonylContact O-C 3.6Å; R1478-E1481 PolarHBondContact O-N 3.19Å; E1481-K1485 WeakPolarHBondContact O-CB 3.31Å; E1481-K1485 WeakPolarHBondContact O-CD 3.26Å; E1481-K1485 WeakPolarHBondContact O-CG 3.28Å; E1481-K1485 PolarHBondContact O-N 2.97Å; E1481-K1485 IonicContact OE2-NZ 3.48Å; E1481-K1485 PolarHBondContact OE2-NZ 3.45Å
1482	E	47.9	Very low	48.2	Very low	84 Å²	84	107.9 Å²	107.9	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-93.2	-28.3	176	-158.5	-155.9	-173.8	0	0	111.9	R1478 E1480 K1486	R1478-E1482 WeakPolarHBondContact O-CA 3.42Å; R1478-E1482 WeakPolarHBondContact O-CB 3.31Å; R1478-E1482 PolarHBondContact O-N 3.46Å; E1480-E1482 VanDerWaalsContact C-N 3.33Å; E1480-E1482 PolarHBondContact O-N 3.23Å; E1482-K1486 VanDerWaalsContact CD-CE 3.5Å; E1482-K1486 HydrophobicContact CG-CD 4.28Å; E1482-K1486 WeakPolarHBondContact O-CB 3.12Å; E1482-K1486 WeakPolarHBondContact O-CG 3.44Å; E1482-K1486 PolarHBondContact O-N 3.43Å; E1482-K1486 WeakPolarHBondContact OE1-CE 3.19Å; E1482-K1486 IonicContact OE1-NZ 3.46Å; E1482-K1486 PolarHBondContact OE1-NZ 2.91Å; E1482-K1486 IonicContact OE2-NZ 2.63Å; E1482-K1486 PolarHBondContact OE2-NZ 2.94Å
1483	T	45	Very low	48.6	Very low	76 Å²	76	104.6 Å²	104.6	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-70	-40.5	162.2	57.6	0	0	0	0	109.6	K1479 E1480 K1485 K1486 E1487	K1479-T1483 WeakPolarHBondContact O-CB 3.4Å; K1479-T1483 VanDerWaalsContact O-CG2 3.26Å; K1479-T1483 WeakPolarHBondContact O-CG2 3.3Å; K1479-T1483 PolarHBondContact O-N 2.94Å; K1479-T1483 PolarHBondContact O-OG1 3.39Å; E1480-T1483 PolarHBondContact O-OG1 2.96Å; T1483-K1485 VanDerWaalsContact C-N 3.32Å; T1483-K1485 PolarHBondContact O-N 3.48Å; T1483-K1486 PolarHBondContact O-N 3.25Å; T1483-E1487 WeakPolarHBondContact O-CA 3.49Å; T1483-E1487 WeakPolarHBondContact O-CB 3.41Å; T1483-E1487 VanDerWaalsContact O-CG 3.3Å; T1483-E1487 WeakPolarHBondContact O-CG 3.45Å; T1483-E1487 PolarHBondContact O-N 2.66Å
1484	V	60	Low	49.3	Very low	74 Å²	74	103 Å²	103	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-32	172.3	170.5	0	0	0	0	111.6	E1480 E1488	E1480-V1484 VanDerWaalsContact O-CB 3.23Å; E1480-V1484 WeakPolarHBondContact O-CB 3.21Å; E1480-V1484 WeakPolarHBondContact O-CG2 3.34Å; E1480-V1484 PolarHBondContact O-N 3.43Å; V1484-E1488 WeakPolarHBondContact O-CA 3.29Å; V1484-E1488 WeakPolarHBondContact O-CB 3.38Å; V1484-E1488 WeakPolarHBondContact O-CG 3.31Å; V1484-E1488 PolarHBondContact O-N 3.48Å
1485	K	50.9	Low	49.6	Very low	106 Å²	106	103.5 Å²	103.5	46%	0.461	48%	0.478	S	S	.	.	H	α-helix	trans	-79.2	-27.7	171.5	-78.6	164.9	-175.1	158.5	0	114.4	E1481 T1483 E1489	E1481-K1485 WeakPolarHBondContact O-CB 3.31Å; E1481-K1485 WeakPolarHBondContact O-CD 3.26Å; E1481-K1485 WeakPolarHBondContact O-CG 3.28Å; E1481-K1485 PolarHBondContact O-N 2.97Å; E1481-K1485 IonicContact OE2-NZ 3.48Å; E1481-K1485 PolarHBondContact OE2-NZ 3.45Å; T1483-K1485 VanDerWaalsContact C-N 3.32Å; T1483-K1485 PolarHBondContact O-N 3.48Å; K1485-E1489 WeakPolarHBondContact O-CA 3.3Å; K1485-E1489 WeakPolarHBondContact O-CB 3.47Å; K1485-E1489 PolarHBondContact O-N 2.82Å
1486	K	45.1	Very low	50	Low	92 Å²	92	105.8 Å²	105.8	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-79.2	-33.5	172	-76.6	167.3	-179.5	160.4	0	111	E1482 T1483 V1490	E1482-K1486 VanDerWaalsContact CD-CE 3.5Å; E1482-K1486 HydrophobicContact CG-CD 4.28Å; E1482-K1486 WeakPolarHBondContact O-CB 3.12Å; E1482-K1486 WeakPolarHBondContact O-CG 3.44Å; E1482-K1486 PolarHBondContact O-N 3.43Å; E1482-K1486 WeakPolarHBondContact OE1-CE 3.19Å; E1482-K1486 IonicContact OE1-NZ 3.46Å; E1482-K1486 PolarHBondContact OE1-NZ 2.91Å; E1482-K1486 IonicContact OE2-NZ 2.63Å; E1482-K1486 PolarHBondContact OE2-NZ 2.94Å; T1483-K1486 PolarHBondContact O-N 3.25Å; K1486-V1490 WeakPolarHBondContact O-CA 3.48Å; K1486-V1490 WeakPolarHBondContact O-CB 3.48Å; K1486-V1490 WeakPolarHBondContact O-CG2 3.38Å; K1486-V1490 PolarHBondContact O-N 3.23Å
1487	E	53.5	Low	49.8	Very low	136 Å²	136	108.9 Å²	108.9	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-68.6	-46.5	166	-72.9	-177.6	157	0	0	109.4	T1483 E1489 V1490 E1491	T1483-E1487 WeakPolarHBondContact O-CA 3.49Å; T1483-E1487 WeakPolarHBondContact O-CB 3.41Å; T1483-E1487 VanDerWaalsContact O-CG 3.3Å; T1483-E1487 WeakPolarHBondContact O-CG 3.45Å; T1483-E1487 PolarHBondContact O-N 2.66Å; E1487-E1489 VanDerWaalsContact C-N 3.33Å; E1487-E1489 PolarHBondContact O-N 2.83Å; E1487-V1490 PolarHBondContact O-N 3.11Å; E1487-E1491 WeakPolarHBondContact O-CA 3.13Å; E1487-E1491 WeakPolarHBondContact O-CB 3.18Å; E1487-E1491 PolarHBondContact O-N 3.32Å
1488	E	59.5	Low	50	Low	130 Å²	130	108 Å²	108	61%	0.607	49%	0.494	S	S	*	.	H	α-helix	trans	-62.5	-34.5	171.7	-82.6	-164.6	129.4	0	0	112.5	V1484 R1492	V1484-E1488 WeakPolarHBondContact O-CA 3.29Å; V1484-E1488 WeakPolarHBondContact O-CB 3.38Å; V1484-E1488 WeakPolarHBondContact O-CG 3.31Å; V1484-E1488 PolarHBondContact O-N 3.48Å; E1488-R1492 WeakPolarHBondContact O-CA 2.98Å; E1488-R1492 WeakPolarHBondContact O-CB 3.04Å; E1488-R1492 PolarHBondContact O-N 2.82Å
1489	E	49.9	Very low	50	Low	94 Å²	94	108.5 Å²	108.5	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-79.5	-32.7	177.9	-164.8	-172.4	140.7	0	0	112.1	K1485 E1487 K1493	K1485-E1489 WeakPolarHBondContact O-CA 3.3Å; K1485-E1489 WeakPolarHBondContact O-CB 3.47Å; K1485-E1489 PolarHBondContact O-N 2.82Å; E1487-E1489 VanDerWaalsContact C-N 3.33Å; E1487-E1489 PolarHBondContact O-N 2.83Å; E1489-K1493 HydrophobicContact CG-CD 4.27Å; E1489-K1493 WeakPolarHBondContact O-CA 3.42Å; E1489-K1493 WeakPolarHBondContact O-CB 3.42Å; E1489-K1493 WeakPolarHBondContact O-CG 3.18Å; E1489-K1493 PolarHBondContact O-N 3.28Å; E1489-K1493 VanDerWaalsContact OE1-CE 3.26Å; E1489-K1493 WeakPolarHBondContact OE1-CE 3.23Å; E1489-K1493 IonicContact OE1-NZ 3Å; E1489-K1493 PolarHBondContact OE1-NZ 3.41Å
1490	V	52.3	Low	50.2	Low	74 Å²	74	106.6 Å²	106.6	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-78.1	-31.4	172.8	171.3	0	0	0	0	111	K1486 E1487 R1494	K1486-V1490 WeakPolarHBondContact O-CA 3.48Å; K1486-V1490 WeakPolarHBondContact O-CB 3.48Å; K1486-V1490 WeakPolarHBondContact O-CG2 3.38Å; K1486-V1490 PolarHBondContact O-N 3.23Å; E1487-V1490 PolarHBondContact O-N 3.11Å; V1490-R1494 WeakPolarHBondContact O-CA 3.19Å; V1490-R1494 WeakPolarHBondContact O-CB 3.08Å; V1490-R1494 WeakPolarHBondContact O-CG 3.43Å; V1490-R1494 PolarHBondContact O-N 2.7Å
1491	E	52.9	Low	50.1	Low	90 Å²	90	107.5 Å²	107.5	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-78.6	-27.7	172.5	-173.9	75.1	167.9	0	0	110.9	E1487 K1495	E1487-E1491 WeakPolarHBondContact O-CA 3.13Å; E1487-E1491 WeakPolarHBondContact O-CB 3.18Å; E1487-E1491 PolarHBondContact O-N 3.32Å; E1491-K1495 VanDerWaalsContact CD-NZ 3.32Å; E1491-K1495 HydrophobicContact CG-CD 4.13Å; E1491-K1495 VanDerWaalsContact CG-NZ 3.34Å; E1491-K1495 WeakPolarHBondContact O-CA 3.07Å; E1491-K1495 WeakPolarHBondContact O-CB 3.42Å; E1491-K1495 WeakPolarHBondContact O-CD 3.24Å; E1491-K1495 WeakPolarHBondContact O-CG 3.38Å; E1491-K1495 PolarHBondContact O-N 3.45Å; E1491-K1495 WeakPolarHBondContact OE1-CE 2.97Å; E1491-K1495 IonicContact OE1-NZ 2.65Å; E1491-K1495 PolarHBondContact OE1-NZ 2.82Å
1492	R	58.7	Low	50.1	Low	146 Å²	146	103.9 Å²	103.9	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-84.1	-33	170.5	-161.8	-159.1	92.5	-164.8	8.1	111.6	E1488 K1495 E1496	E1488-R1492 WeakPolarHBondContact O-CA 2.98Å; E1488-R1492 WeakPolarHBondContact O-CB 3.04Å; E1488-R1492 PolarHBondContact O-N 2.82Å; R1492-K1495 CarbonylContact O-C 3.49Å; R1492-K1495 PolarHBondContact O-N 3.38Å; R1492-E1496 HydrophobicContact CG-CG 4.49Å; R1492-E1496 IonicContact CZ-OE2 3.75Å; R1492-E1496 IonicContact NE-OE2 2.82Å; R1492-E1496 PolarHBondContact NE-OE2 2.71Å; R1492-E1496 IonicContact NH2-OE1 2.7Å; R1492-E1496 IonicContact NH2-OE2 3.03Å; R1492-E1496 PolarHBondContact NH2-OE2 3.23Å; R1492-E1496 WeakPolarHBondContact O-CA 3.31Å; R1492-E1496 WeakPolarHBondContact O-CB 3.3Å; R1492-E1496 VanDerWaalsContact O-CG 3.26Å; R1492-E1496 WeakPolarHBondContact O-CG 3.01Å; R1492-E1496 PolarHBondContact O-N 2.82Å
1493	K	47.7	Very low	49.9	Very low	109 Å²	109	104 Å²	104	47%	0.474	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-46.8	167.2	-80.8	169.8	172.8	166.9	0	109.8	E1489 K1495 E1496 E1497	E1489-K1493 HydrophobicContact CG-CD 4.27Å; E1489-K1493 WeakPolarHBondContact O-CA 3.42Å; E1489-K1493 WeakPolarHBondContact O-CB 3.42Å; E1489-K1493 WeakPolarHBondContact O-CG 3.18Å; E1489-K1493 PolarHBondContact O-N 3.28Å; E1489-K1493 VanDerWaalsContact OE1-CE 3.26Å; E1489-K1493 WeakPolarHBondContact OE1-CE 3.23Å; E1489-K1493 IonicContact OE1-NZ 3Å; E1489-K1493 PolarHBondContact OE1-NZ 3.41Å; K1493-K1495 PolarHBondContact O-N 3.02Å; K1493-E1496 CarbonylContact O-C 3.57Å; K1493-E1496 PolarHBondContact O-N 3.43Å; K1493-E1497 WeakPolarHBondContact O-CA 2.84Å; K1493-E1497 WeakPolarHBondContact O-CB 2.95Å; K1493-E1497 PolarHBondContact O-N 2.81Å
1494	R	53.4	Low	49.6	Very low	155 Å²	155	109.4 Å²	109.4	59%	0.585	51%	0.511	S	S	*	.	H	α-helix	trans	-57	-46.9	166.8	-75.9	172.1	175.1	173.8	-1.5	110.8	V1490 E1496 E1497 E1498	V1490-R1494 WeakPolarHBondContact O-CA 3.19Å; V1490-R1494 WeakPolarHBondContact O-CB 3.08Å; V1490-R1494 WeakPolarHBondContact O-CG 3.43Å; V1490-R1494 PolarHBondContact O-N 2.7Å; R1494-E1496 PolarHBondContact O-N 2.86Å; R1494-E1496 VanDerWaalsContact O-N 3.16Å; R1494-E1497 CarbonylContact O-C 3.56Å; R1494-E1497 PolarHBondContact O-N 2.81Å; R1494-E1498 VanDerWaalsContact O-CA 3.27Å; R1494-E1498 WeakPolarHBondContact O-CA 3.24Å; R1494-E1498 WeakPolarHBondContact O-CB 2.93Å; R1494-E1498 PolarHBondContact O-N 3.01Å
1495	K	48.9	Very low	48.8	Very low	89 Å²	89	107.1 Å²	107.1	39%	0.387	50%	0.503	S	S	.	.	H	α-helix	trans	-79.8	13.7	174.2	-66.7	167.5	-172.1	161.3	0	115.4	E1491 R1492 K1493 K1499	E1491-K1495 VanDerWaalsContact CD-NZ 3.32Å; E1491-K1495 HydrophobicContact CG-CD 4.13Å; E1491-K1495 VanDerWaalsContact CG-NZ 3.34Å; E1491-K1495 WeakPolarHBondContact O-CA 3.07Å; E1491-K1495 WeakPolarHBondContact O-CB 3.42Å; E1491-K1495 WeakPolarHBondContact O-CD 3.24Å; E1491-K1495 WeakPolarHBondContact O-CG 3.38Å; E1491-K1495 PolarHBondContact O-N 3.45Å; E1491-K1495 WeakPolarHBondContact OE1-CE 2.97Å; E1491-K1495 IonicContact OE1-NZ 2.65Å; E1491-K1495 PolarHBondContact OE1-NZ 2.82Å; R1492-K1495 CarbonylContact O-C 3.49Å; R1492-K1495 PolarHBondContact O-N 3.38Å; K1493-K1495 PolarHBondContact O-N 3.02Å; K1495-K1499 VanDerWaalsContact O-CB 3.24Å; K1495-K1499 WeakPolarHBondContact O-CB 3.36Å; K1495-K1499 WeakPolarHBondContact O-CD 3.35Å; K1495-K1499 WeakPolarHBondContact O-CE 3.31Å; K1495-K1499 WeakPolarHBondContact O-CG 2.9Å
1496	E	51.8	Low	48.7	Very low	100 Å²	100	107.9 Å²	107.9	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-118	-22.2	166.7	-82.7	-176.9	117	0	0	110.3	R1492 K1493 R1494 K1499 A1500	R1492-E1496 HydrophobicContact CG-CG 4.49Å; R1492-E1496 IonicContact CZ-OE2 3.75Å; R1492-E1496 IonicContact NE-OE2 2.82Å; R1492-E1496 PolarHBondContact NE-OE2 2.71Å; R1492-E1496 IonicContact NH2-OE1 2.7Å; R1492-E1496 IonicContact NH2-OE2 3.03Å; R1492-E1496 PolarHBondContact NH2-OE2 3.23Å; R1492-E1496 WeakPolarHBondContact O-CA 3.31Å; R1492-E1496 WeakPolarHBondContact O-CB 3.3Å; R1492-E1496 VanDerWaalsContact O-CG 3.26Å; R1492-E1496 WeakPolarHBondContact O-CG 3.01Å; R1492-E1496 PolarHBondContact O-N 2.82Å; K1493-E1496 CarbonylContact O-C 3.57Å; K1493-E1496 PolarHBondContact O-N 3.43Å; R1494-E1496 PolarHBondContact O-N 2.86Å; R1494-E1496 VanDerWaalsContact O-N 3.16Å; E1496-K1499 CarbonylContact O-C 3.47Å; E1496-A1500 WeakPolarHBondContact O-CA 3.08Å; E1496-A1500 WeakPolarHBondContact O-CB 2.96Å; E1496-A1500 PolarHBondContact O-N 3.27Å
1497	E	42.9	Very low	48.5	Very low	132 Å²	132	109.7 Å²	109.7	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-94.2	-50.4	177.5	-172.5	166	-125.9	0	0	109.7	K1493 R1494 K1499 A1500 E1501	K1493-E1497 WeakPolarHBondContact O-CA 2.84Å; K1493-E1497 WeakPolarHBondContact O-CB 2.95Å; K1493-E1497 PolarHBondContact O-N 2.81Å; R1494-E1497 CarbonylContact O-C 3.56Å; R1494-E1497 PolarHBondContact O-N 2.81Å; E1497-K1499 PolarHBondContact O-N 3.11Å; E1497-A1500 CarbonylContact O-C 3.56Å; E1497-A1500 WeakPolarHBondContact O-CA 3.08Å; E1497-A1500 PolarHBondContact O-N 2.66Å; E1497-E1501 WeakPolarHBondContact O-CA 3.35Å; E1497-E1501 WeakPolarHBondContact O-CB 3.35Å; E1497-E1501 PolarHBondContact O-N 2.84Å
1498	E	46.6	Very low	47.9	Very low	133 Å²	133	106.7 Å²	106.7	62%	0.621	51%	0.507	S	S	*	.	H	α-helix	trans	-61.5	-18.2	158.8	-165.8	-172.4	-135.7	0	0	112	R1494 S1502	R1494-E1498 VanDerWaalsContact O-CA 3.27Å; R1494-E1498 WeakPolarHBondContact O-CA 3.24Å; R1494-E1498 WeakPolarHBondContact O-CB 2.93Å; R1494-E1498 PolarHBondContact O-N 3.01Å; E1498-S1502 WeakPolarHBondContact O-CA 3.28Å; E1498-S1502 WeakPolarHBondContact O-CB 3.2Å; E1498-S1502 PolarHBondContact O-N 3.4Å
1499	K	46.1	Very low	47.2	Very low	126 Å²	126	104.2 Å²	104.2	55%	0.548	50%	0.495	S	S	.	.	H	α-helix	trans	-94.3	-19.5	163.8	-78	-171.3	-160.9	161.7	0	114.4	K1495 E1496 E1497 E1501 T1503	K1495-K1499 VanDerWaalsContact O-CB 3.24Å; K1495-K1499 WeakPolarHBondContact O-CB 3.36Å; K1495-K1499 WeakPolarHBondContact O-CD 3.35Å; K1495-K1499 WeakPolarHBondContact O-CE 3.31Å; K1495-K1499 WeakPolarHBondContact O-CG 2.9Å; E1496-K1499 CarbonylContact O-C 3.47Å; E1497-K1499 PolarHBondContact O-N 3.11Å; K1499-E1501 VanDerWaalsContact C-N 3.32Å; K1499-T1503 WeakPolarHBondContact O-CA 3.33Å; K1499-T1503 WeakPolarHBondContact O-CB 3.12Å; K1499-T1503 VanDerWaalsContact O-CG2 3.28Å; K1499-T1503 WeakPolarHBondContact O-CG2 3.26Å; K1499-T1503 PolarHBondContact O-N 3.45Å; K1499-T1503 PolarHBondContact O-OG1 3.07Å
1500	A	45.7	Very low	47.1	Very low	52 Å²	52	102 Å²	102	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-82.5	-18.5	168	0	0	0	0	0	110.8	E1496 E1497 R1504	E1496-A1500 WeakPolarHBondContact O-CA 3.08Å; E1496-A1500 WeakPolarHBondContact O-CB 2.96Å; E1496-A1500 PolarHBondContact O-N 3.27Å; E1497-A1500 CarbonylContact O-C 3.56Å; E1497-A1500 WeakPolarHBondContact O-CA 3.08Å; E1497-A1500 PolarHBondContact O-N 2.66Å; A1500-R1504 WeakPolarHBondContact O-CA 3.28Å; A1500-R1504 WeakPolarHBondContact O-CB 3.38Å; A1500-R1504 PolarHBondContact O-N 3.05Å
1501	E	47.5	Very low	46.5	Very low	145 Å²	145	104.7 Å²	104.7	68%	0.678	50%	0.496	S	S	*	.	H	α-helix	trans	-109.5	-15.4	177.6	-169.8	165.9	-138.6	0	0	111	E1497 K1499 G1505	E1497-E1501 WeakPolarHBondContact O-CA 3.35Å; E1497-E1501 WeakPolarHBondContact O-CB 3.35Å; E1497-E1501 PolarHBondContact O-N 2.84Å; K1499-E1501 VanDerWaalsContact C-N 3.32Å; E1501-G1505 WeakPolarHBondContact O-CA 3.5Å; E1501-G1505 PolarHBondContact O-N 3.03Å
1502	S	45.7	Very low	45.9	Very low	39 Å²	39	108 Å²	108	27%	0.273	50%	0.504	S	S	.	.	H	α-helix	trans	-69.6	-68.3	143.7	96.6	0	0	0	0	107.9	E1498 R1504 G1505 E1506	E1498-S1502 WeakPolarHBondContact O-CA 3.28Å; E1498-S1502 WeakPolarHBondContact O-CB 3.2Å; E1498-S1502 PolarHBondContact O-N 3.4Å; S1502-R1504 CarbonylContact O-C 3.48Å; S1502-R1504 PolarHBondContact O-N 3.42Å; S1502-G1505 CarbonylContact O-C 3.6Å; S1502-G1505 VanDerWaalsContact O-CA 3.31Å; S1502-G1505 WeakPolarHBondContact O-CA 3.35Å; S1502-G1505 PolarHBondContact O-N 3.09Å; S1502-E1506 WeakPolarHBondContact O-CA 3.45Å; S1502-E1506 WeakPolarHBondContact O-CB 3.21Å; S1502-E1506 PolarHBondContact O-N 3.1Å; S1502-E1506 PolarHBondContact OG-OE2 2.92Å
1503	T	45	Very low	45.2	Very low	86 Å²	86	106 Å²	106	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	3.1	-175.3	69.7	0	0	0	0	116.6	K1499 K1507	K1499-T1503 WeakPolarHBondContact O-CA 3.33Å; K1499-T1503 WeakPolarHBondContact O-CB 3.12Å; K1499-T1503 VanDerWaalsContact O-CG2 3.28Å; K1499-T1503 WeakPolarHBondContact O-CG2 3.26Å; K1499-T1503 PolarHBondContact O-N 3.45Å; K1499-T1503 PolarHBondContact O-OG1 3.07Å; T1503-K1507 WeakPolarHBondContact O-CB 3.49Å
1504	R	38.1	Very low	45.3	Very low	189 Å²	189	106.4 Å²	106.4	71%	0.713	50%	0.503	S	S	*	.	H	α-helix	trans	-110.4	-33.7	157.9	-171.1	179.4	-176.3	166	-0.6	112.8	A1500 S1502 K1507 V1508	A1500-R1504 WeakPolarHBondContact O-CA 3.28Å; A1500-R1504 WeakPolarHBondContact O-CB 3.38Å; A1500-R1504 PolarHBondContact O-N 3.05Å; S1502-R1504 CarbonylContact O-C 3.48Å; S1502-R1504 PolarHBondContact O-N 3.42Å; R1504-K1507 CarbonylContact O-C 3.57Å; R1504-K1507 PolarHBondContact O-N 2.85Å; R1504-V1508 HydrophobicContact CG-CG2 4.44Å; R1504-V1508 WeakPolarHBondContact O-CB 3.21Å; R1504-V1508 VanDerWaalsContact O-CG2 3.23Å; R1504-V1508 WeakPolarHBondContact O-CG2 3.34Å; R1504-V1508 PolarHBondContact O-N 3.04Å
1505	G	42.3	Very low	44.8	Very low	27 Å²	27	104.7 Å²	104.7	28%	0.278	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-82.1	162.6	0	0	0	0	0	108.9	E1501 S1502 K1507 V1508 E1509	E1501-G1505 WeakPolarHBondContact O-CA 3.5Å; E1501-G1505 PolarHBondContact O-N 3.03Å; S1502-G1505 CarbonylContact O-C 3.6Å; S1502-G1505 VanDerWaalsContact O-CA 3.31Å; S1502-G1505 WeakPolarHBondContact O-CA 3.35Å; S1502-G1505 PolarHBondContact O-N 3.09Å; G1505-K1507 CarbonylContact O-C 3.58Å; G1505-K1507 PolarHBondContact O-N 3.48Å; G1505-V1508 CarbonylContact O-C 3.53Å; G1505-V1508 VanDerWaalsContact O-C 3.32Å; G1505-V1508 WeakPolarHBondContact O-CA 3.49Å; G1505-V1508 PolarHBondContact O-N 2.82Å; G1505-E1509 VanDerWaalsContact C-CB 3.43Å; G1505-E1509 VanDerWaalsContact O-CA 3.31Å; G1505-E1509 WeakPolarHBondContact O-CA 3.14Å; G1505-E1509 WeakPolarHBondContact O-CB 3.44Å; G1505-E1509 PolarHBondContact O-N 2.87Å
1506	E	48.8	Very low	44.7	Very low	121 Å²	121	104.9 Å²	104.9	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-34.7	-7	157.5	-153.6	-179.8	-161	0	0	117.7	S1502 S1510	S1502-E1506 WeakPolarHBondContact O-CA 3.45Å; S1502-E1506 WeakPolarHBondContact O-CB 3.21Å; S1502-E1506 PolarHBondContact O-N 3.1Å; S1502-E1506 PolarHBondContact OG-OE2 2.92Å; E1506-S1510 VanDerWaalsContact C-N 3.27Å; E1506-S1510 WeakPolarHBondContact O-CA 3.34Å; E1506-S1510 WeakPolarHBondContact O-CB 3.04Å; E1506-S1510 PolarHBondContact O-N 3.42Å; E1506-S1510 PolarHBondContact O-OG 2.83Å
1507	K	41.1	Very low	44.7	Very low	130 Å²	130	103.3 Å²	103.3	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-112.8	-17.4	163.8	-172.5	175.5	178.1	179.2	0	115.3	T1503 R1504 G1505 E1509 K1511	T1503-K1507 WeakPolarHBondContact O-CB 3.49Å; R1504-K1507 CarbonylContact O-C 3.57Å; R1504-K1507 PolarHBondContact O-N 2.85Å; G1505-K1507 CarbonylContact O-C 3.58Å; G1505-K1507 PolarHBondContact O-N 3.48Å; K1507-E1509 VanDerWaalsContact C-N 3.32Å; K1507-K1511 WeakPolarHBondContact O-CB 3.3Å; K1507-K1511 WeakPolarHBondContact O-CG 3.07Å; K1507-K1511 PolarHBondContact O-N 3.4Å
1508	V	40.8	Very low	45.2	Very low	73 Å²	73	100.5 Å²	100.5	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-85.9	-13.9	159	171.3	0	0	0	0	110.4	R1504 G1505 R1512	R1504-V1508 HydrophobicContact CG-CG2 4.44Å; R1504-V1508 WeakPolarHBondContact O-CB 3.21Å; R1504-V1508 VanDerWaalsContact O-CG2 3.23Å; R1504-V1508 WeakPolarHBondContact O-CG2 3.34Å; R1504-V1508 PolarHBondContact O-N 3.04Å; G1505-V1508 CarbonylContact O-C 3.53Å; G1505-V1508 VanDerWaalsContact O-C 3.32Å; G1505-V1508 WeakPolarHBondContact O-CA 3.49Å; G1505-V1508 PolarHBondContact O-N 2.82Å; V1508-R1512 WeakPolarHBondContact O-CA 3.35Å; V1508-R1512 WeakPolarHBondContact O-CB 3.41Å; V1508-R1512 WeakPolarHBondContact O-CD 3.28Å; V1508-R1512 WeakPolarHBondContact O-CG 3.17Å; V1508-R1512 PolarHBondContact O-N 3.4Å
1509	E	45.5	Very low	45.1	Very low	79 Å²	79	100.4 Å²	100.4	37%	0.369	49%	0.491	S	S	.	.	H	α-helix	trans	-115.8	-24.1	-176	-176.1	72.6	-173.1	0	0	109.5	G1505 K1507 K1513	G1505-E1509 VanDerWaalsContact C-CB 3.43Å; G1505-E1509 VanDerWaalsContact O-CA 3.31Å; G1505-E1509 WeakPolarHBondContact O-CA 3.14Å; G1505-E1509 WeakPolarHBondContact O-CB 3.44Å; G1505-E1509 PolarHBondContact O-N 2.87Å; K1507-E1509 VanDerWaalsContact C-N 3.32Å; E1509-K1513 HydrophobicContact CG-CD 4.27Å; E1509-K1513 WeakPolarHBondContact O-CA 3.46Å; E1509-K1513 WeakPolarHBondContact O-CB 3.12Å; E1509-K1513 WeakPolarHBondContact O-CD 3.38Å; E1509-K1513 WeakPolarHBondContact O-CG 3.14Å; E1509-K1513 PolarHBondContact O-N 2.92Å; E1509-K1513 WeakPolarHBondContact OE1-CE 3.28Å; E1509-K1513 IonicContact OE1-NZ 2.88Å; E1509-K1513 PolarHBondContact OE1-NZ 3.32Å
1510	S	47.8	Very low	45.4	Very low	48 Å²	48	99 Å²	99	34%	0.336	49%	0.485	S	S	.	.	H	α-helix	trans	-81.8	-17.8	147.9	88.9	0	0	0	0	111.6	E1506 E1514	E1506-S1510 VanDerWaalsContact C-N 3.27Å; E1506-S1510 WeakPolarHBondContact O-CA 3.34Å; E1506-S1510 WeakPolarHBondContact O-CB 3.04Å; E1506-S1510 PolarHBondContact O-N 3.42Å; E1506-S1510 PolarHBondContact O-OG 2.83Å; S1510-E1514 VanDerWaalsContact O-CA 3.31Å; S1510-E1514 WeakPolarHBondContact O-CA 3.02Å; S1510-E1514 WeakPolarHBondContact O-CB 3.27Å; S1510-E1514 WeakPolarHBondContact O-CG 3.38Å; S1510-E1514 PolarHBondContact O-N 3.29Å
1511	K	39.1	Very low	46	Very low	129 Å²	129	102.2 Å²	102.2	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-79.9	-34.1	162.6	-83.5	-177.8	169.1	-161.2	0	112.2	K1507 E1515	K1507-K1511 WeakPolarHBondContact O-CB 3.3Å; K1507-K1511 WeakPolarHBondContact O-CG 3.07Å; K1507-K1511 PolarHBondContact O-N 3.4Å; K1511-E1515 WeakPolarHBondContact O-CA 3.34Å; K1511-E1515 WeakPolarHBondContact O-CB 3.49Å; K1511-E1515 PolarHBondContact O-N 3.06Å
1512	R	41.3	Very low	46.2	Very low	159 Å²	159	101.6 Å²	101.6	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-79.4	-19.3	169.9	-78.6	168.3	173.1	-175.8	-2.7	112.5	V1508 E1516	V1508-R1512 WeakPolarHBondContact O-CA 3.35Å; V1508-R1512 WeakPolarHBondContact O-CB 3.41Å; V1508-R1512 WeakPolarHBondContact O-CD 3.28Å; V1508-R1512 WeakPolarHBondContact O-CG 3.17Å; V1508-R1512 PolarHBondContact O-N 3.4Å; R1512-E1516 VanDerWaalsContact O-CA 3.31Å; R1512-E1516 WeakPolarHBondContact O-CA 3.18Å; R1512-E1516 WeakPolarHBondContact O-CB 3.43Å; R1512-E1516 VanDerWaalsContact O-CG 3.24Å; R1512-E1516 WeakPolarHBondContact O-CG 2.9Å; R1512-E1516 PolarHBondContact O-N 2.65Å
1513	K	43.8	Very low	46.5	Very low	106 Å²	106	106.1 Å²	106.1	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-93.2	-19.4	165.6	-67.4	164.7	173.9	137.3	0	113.7	E1509 T1517	E1509-K1513 HydrophobicContact CG-CD 4.27Å; E1509-K1513 WeakPolarHBondContact O-CA 3.46Å; E1509-K1513 WeakPolarHBondContact O-CB 3.12Å; E1509-K1513 WeakPolarHBondContact O-CD 3.38Å; E1509-K1513 WeakPolarHBondContact O-CG 3.14Å; E1509-K1513 PolarHBondContact O-N 2.92Å; E1509-K1513 WeakPolarHBondContact OE1-CE 3.28Å; E1509-K1513 IonicContact OE1-NZ 2.88Å; E1509-K1513 PolarHBondContact OE1-NZ 3.32Å; K1513-T1517 VanDerWaalsContact O-CA 3.3Å; K1513-T1517 WeakPolarHBondContact O-CA 3.37Å; K1513-T1517 WeakPolarHBondContact O-CB 3.43Å; K1513-T1517 WeakPolarHBondContact O-CG2 3.26Å; K1513-T1517 PolarHBondContact O-N 2.8Å; K1513-T1517 PolarHBondContact O-OG1 3.46Å
1514	E	48.5	Very low	47.1	Very low	117 Å²	117	106.1 Å²	106.1	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-80.2	-26.1	160.5	-75.7	174.9	130.6	0	0	109.9	S1510 V1518	S1510-E1514 VanDerWaalsContact O-CA 3.31Å; S1510-E1514 WeakPolarHBondContact O-CA 3.02Å; S1510-E1514 WeakPolarHBondContact O-CB 3.27Å; S1510-E1514 WeakPolarHBondContact O-CG 3.38Å; S1510-E1514 PolarHBondContact O-N 3.29Å; E1514-V1518 VanDerWaalsContact O-CA 3.25Å; E1514-V1518 WeakPolarHBondContact O-CA 3.23Å; E1514-V1518 WeakPolarHBondContact O-CB 3.37Å; E1514-V1518 WeakPolarHBondContact O-CG2 3.21Å; E1514-V1518 PolarHBondContact O-N 2.83Å
1515	E	44.5	Very low	47.8	Very low	119 Å²	119	100 Å²	100	56%	0.556	48%	0.482	S	S	*	.	H	α-helix	trans	-90.5	-21.2	173.8	-169	173.9	-141.5	0	0	111.1	K1511 K1519	K1511-E1515 WeakPolarHBondContact O-CA 3.34Å; K1511-E1515 WeakPolarHBondContact O-CB 3.49Å; K1511-E1515 PolarHBondContact O-N 3.06Å; E1515-K1519 WeakPolarHBondContact O-CA 3.28Å; E1515-K1519 WeakPolarHBondContact O-CB 3.01Å; E1515-K1519 WeakPolarHBondContact O-CG 3.44Å; E1515-K1519 PolarHBondContact O-N 2.88Å
1516	E	45.3	Very low	48.2	Very low	92 Å²	92	102.6 Å²	102.6	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-84.4	-29.4	160.6	-84.8	-147.5	126.4	0	0	112.4	R1512 K1519 K1520	R1512-E1516 VanDerWaalsContact O-CA 3.31Å; R1512-E1516 WeakPolarHBondContact O-CA 3.18Å; R1512-E1516 WeakPolarHBondContact O-CB 3.43Å; R1512-E1516 VanDerWaalsContact O-CG 3.24Å; R1512-E1516 WeakPolarHBondContact O-CG 2.9Å; R1512-E1516 PolarHBondContact O-N 2.65Å; E1516-K1519 CarbonylContact O-C 3.58Å; E1516-K1520 HydrophobicContact CB-CD 4.44Å; E1516-K1520 VanDerWaalsContact O-CA 3.29Å; E1516-K1520 WeakPolarHBondContact O-CA 3.34Å; E1516-K1520 WeakPolarHBondContact O-CB 3.49Å; E1516-K1520 VanDerWaalsContact O-CD 3.3Å; E1516-K1520 WeakPolarHBondContact O-CD 3.48Å; E1516-K1520 WeakPolarHBondContact O-CG 3.46Å; E1516-K1520 PolarHBondContact O-N 2.86Å; E1516-K1520 VanDerWaalsContact OE1-CE 3.24Å; E1516-K1520 WeakPolarHBondContact OE1-CE 3.32Å; E1516-K1520 IonicContact OE1-NZ 3.42Å; E1516-K1520 PolarHBondContact OE1-NZ 3.22Å; E1516-K1520 IonicContact OE2-NZ 2.73Å; E1516-K1520 PolarHBondContact OE2-NZ 2.99Å
1517	T	52.9	Low	48.6	Very low	67 Å²	67	104 Å²	104	41%	0.411	49%	0.487	S	S	.	.	H	α-helix	trans	-91.2	-7.8	170.8	75	0	0	0	0	112.1	K1513 E1521	K1513-T1517 VanDerWaalsContact O-CA 3.3Å; K1513-T1517 WeakPolarHBondContact O-CA 3.37Å; K1513-T1517 WeakPolarHBondContact O-CB 3.43Å; K1513-T1517 WeakPolarHBondContact O-CG2 3.26Å; K1513-T1517 PolarHBondContact O-N 2.8Å; K1513-T1517 PolarHBondContact O-OG1 3.46Å; T1517-E1521 VanDerWaalsContact O-CA 3.28Å; T1517-E1521 WeakPolarHBondContact O-CA 3.36Å; T1517-E1521 WeakPolarHBondContact O-CB 3.4Å; T1517-E1521 WeakPolarHBondContact O-CG 3.4Å; T1517-E1521 PolarHBondContact O-N 2.93Å
1518	V	52.8	Low	49.4	Very low	74 Å²	74	102.8 Å²	102.8	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-97.7	-17.1	158.8	179.9	0	0	0	0	110.3	E1514 E1522	E1514-V1518 VanDerWaalsContact O-CA 3.25Å; E1514-V1518 WeakPolarHBondContact O-CA 3.23Å; E1514-V1518 WeakPolarHBondContact O-CB 3.37Å; E1514-V1518 WeakPolarHBondContact O-CG2 3.21Å; E1514-V1518 PolarHBondContact O-N 2.83Å; V1518-E1522 HydrophobicContact CG1-CG 4.04Å; V1518-E1522 VanDerWaalsContact O-CA 3.25Å; V1518-E1522 WeakPolarHBondContact O-CA 3.49Å; V1518-E1522 WeakPolarHBondContact O-CB 3.5Å; V1518-E1522 WeakPolarHBondContact O-CG 3.26Å; V1518-E1522 PolarHBondContact O-N 3.4Å
1519	K	45.5	Very low	49.9	Very low	130 Å²	130	106.7 Å²	106.7	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-81.5	-22.1	156.4	-78.6	178	175.9	174.9	0	113.6	E1515 E1516 E1523	E1515-K1519 WeakPolarHBondContact O-CA 3.28Å; E1515-K1519 WeakPolarHBondContact O-CB 3.01Å; E1515-K1519 WeakPolarHBondContact O-CG 3.44Å; E1515-K1519 PolarHBondContact O-N 2.88Å; E1516-K1519 CarbonylContact O-C 3.58Å; K1519-E1523 WeakPolarHBondContact O-CA 3.37Å; K1519-E1523 WeakPolarHBondContact O-CB 3.21Å; K1519-E1523 WeakPolarHBondContact O-CG 3.28Å; K1519-E1523 PolarHBondContact O-N 3.24Å
1520	K	51.9	Low	49.8	Very low	98 Å²	98	107.6 Å²	107.6	43%	0.426	49%	0.491	S	S	.	.	H	α-helix	trans	-97.2	-20	172.3	-66.1	161.5	-171	169.9	0	111.6	E1516 E1524	E1516-K1520 HydrophobicContact CB-CD 4.44Å; E1516-K1520 VanDerWaalsContact O-CA 3.29Å; E1516-K1520 WeakPolarHBondContact O-CA 3.34Å; E1516-K1520 WeakPolarHBondContact O-CB 3.49Å; E1516-K1520 VanDerWaalsContact O-CD 3.3Å; E1516-K1520 WeakPolarHBondContact O-CD 3.48Å; E1516-K1520 WeakPolarHBondContact O-CG 3.46Å; E1516-K1520 PolarHBondContact O-N 2.86Å; E1516-K1520 VanDerWaalsContact OE1-CE 3.24Å; E1516-K1520 WeakPolarHBondContact OE1-CE 3.32Å; E1516-K1520 IonicContact OE1-NZ 3.42Å; E1516-K1520 PolarHBondContact OE1-NZ 3.22Å; E1516-K1520 IonicContact OE2-NZ 2.73Å; E1516-K1520 PolarHBondContact OE2-NZ 2.99Å; K1520-E1524 VanDerWaalsContact O-CA 3.25Å; K1520-E1524 WeakPolarHBondContact O-CA 3.45Å; K1520-E1524 WeakPolarHBondContact O-CB 3.14Å; K1520-E1524 PolarHBondContact O-N 2.9Å
1521	E	58.9	Low	50.1	Low	118 Å²	118	109.9 Å²	109.9	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-86.9	-24.7	158.5	-68.2	177.1	-169.8	0	0	111.4	T1517 V1525	T1517-E1521 VanDerWaalsContact O-CA 3.28Å; T1517-E1521 WeakPolarHBondContact O-CA 3.36Å; T1517-E1521 WeakPolarHBondContact O-CB 3.4Å; T1517-E1521 WeakPolarHBondContact O-CG 3.4Å; T1517-E1521 PolarHBondContact O-N 2.93Å; E1521-V1525 VanDerWaalsContact O-CA 3.28Å; E1521-V1525 WeakPolarHBondContact O-CA 3.24Å; E1521-V1525 WeakPolarHBondContact O-CB 3.25Å; E1521-V1525 WeakPolarHBondContact O-CG2 3.23Å; E1521-V1525 PolarHBondContact O-N 2.61Å
1522	E	50.7	Low	50.6	Low	133 Å²	133	109.9 Å²	109.9	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-72.5	-41.2	160.1	-73.4	-167.9	136.4	0	0	110	V1518 E1524 V1525 E1526	V1518-E1522 HydrophobicContact CG1-CG 4.04Å; V1518-E1522 VanDerWaalsContact O-CA 3.25Å; V1518-E1522 WeakPolarHBondContact O-CA 3.49Å; V1518-E1522 WeakPolarHBondContact O-CB 3.5Å; V1518-E1522 WeakPolarHBondContact O-CG 3.26Å; V1518-E1522 PolarHBondContact O-N 3.4Å; E1522-E1524 PolarHBondContact O-N 3.16Å; E1522-V1525 CarbonylContact O-C 3.56Å; E1522-E1526 WeakPolarHBondContact O-CA 3.45Å; E1522-E1526 WeakPolarHBondContact O-CB 3.39Å; E1522-E1526 PolarHBondContact O-N 2.87Å
1523	E	52.3	Low	50.9	Low	133 Å²	133	109.3 Å²	109.3	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-75.8	-15.6	173.5	-75.5	-168.1	134.2	0	0	114.1	K1519 R1527	K1519-E1523 WeakPolarHBondContact O-CA 3.37Å; K1519-E1523 WeakPolarHBondContact O-CB 3.21Å; K1519-E1523 WeakPolarHBondContact O-CG 3.28Å; K1519-E1523 PolarHBondContact O-N 3.24Å; E1523-R1527 VanDerWaalsContact O-CA 3.31Å; E1523-R1527 WeakPolarHBondContact O-CA 3.36Å; E1523-R1527 WeakPolarHBondContact O-CB 3.45Å; E1523-R1527 WeakPolarHBondContact O-CG 3.42Å; E1523-R1527 PolarHBondContact O-N 3.29Å
1524	E	56.4	Low	50.8	Low	86 Å²	86	110.8 Å²	110.8	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-103.8	-9.9	171.6	-154.7	-164.5	162.4	0	0	112.6	K1520 E1522 K1528	K1520-E1524 VanDerWaalsContact O-CA 3.25Å; K1520-E1524 WeakPolarHBondContact O-CA 3.45Å; K1520-E1524 WeakPolarHBondContact O-CB 3.14Å; K1520-E1524 PolarHBondContact O-N 2.9Å; E1522-E1524 PolarHBondContact O-N 3.16Å; E1524-K1528 HydrophobicContact CG-CD 4.34Å; E1524-K1528 HydrophobicContact CG-CG 4.45Å; E1524-K1528 WeakPolarHBondContact O-CA 3.2Å; E1524-K1528 WeakPolarHBondContact O-CB 3.35Å; E1524-K1528 WeakPolarHBondContact O-CD 3.3Å; E1524-K1528 WeakPolarHBondContact O-CG 3.2Å; E1524-K1528 PolarHBondContact O-N 3.47Å; E1524-K1528 WeakPolarHBondContact OE1-CE 3.48Å; E1524-K1528 IonicContact OE1-NZ 3.71Å; E1524-K1528 PolarHBondContact OE1-NZ 3.01Å; E1524-K1528 IonicContact OE2-NZ 3.46Å
1525	V	54.7	Low	50.8	Low	60 Å²	60	107.7 Å²	107.7	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-95.7	-14.4	159	179.4	0	0	0	0	110.3	E1521 E1522 R1529	E1521-V1525 VanDerWaalsContact O-CA 3.28Å; E1521-V1525 WeakPolarHBondContact O-CA 3.24Å; E1521-V1525 WeakPolarHBondContact O-CB 3.25Å; E1521-V1525 WeakPolarHBondContact O-CG2 3.23Å; E1521-V1525 PolarHBondContact O-N 2.61Å; E1522-V1525 CarbonylContact O-C 3.56Å; V1525-R1529 HydrophobicContact CG1-CG 4.43Å; V1525-R1529 WeakPolarHBondContact O-CA 2.81Å; V1525-R1529 WeakPolarHBondContact O-CB 3.39Å; V1525-R1529 VanDerWaalsContact O-CD 3.27Å; V1525-R1529 WeakPolarHBondContact O-CD 2.97Å; V1525-R1529 WeakPolarHBondContact O-CG 3.31Å; V1525-R1529 PolarHBondContact O-N 2.65Å
1526	E	50.7	Low	51	Low	82 Å²	82	109.2 Å²	109.2	38%	0.383	51%	0.511	S	S	.	.	H	α-helix	trans	-93.3	-25.7	165	-172.2	82.7	168.1	0	0	109.7	E1522 K1530	E1522-E1526 WeakPolarHBondContact O-CA 3.45Å; E1522-E1526 WeakPolarHBondContact O-CB 3.39Å; E1522-E1526 PolarHBondContact O-N 2.87Å; E1526-K1530 VanDerWaalsContact CD-NZ 3.33Å; E1526-K1530 HydrophobicContact CG-CD 4Å; E1526-K1530 WeakPolarHBondContact O-CA 3.28Å; E1526-K1530 WeakPolarHBondContact O-CB 3.32Å; E1526-K1530 WeakPolarHBondContact O-CD 3.48Å; E1526-K1530 WeakPolarHBondContact O-CG 3.4Å; E1526-K1530 PolarHBondContact O-N 3.1Å; E1526-K1530 WeakPolarHBondContact OE1-CE 3.02Å; E1526-K1530 IonicContact OE1-NZ 2.61Å; E1526-K1530 PolarHBondContact OE1-NZ 3.01Å
1527	R	56.6	Low	51	Low	151 Å²	151	105.4 Å²	105.4	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-79.5	-39.3	159	-89.3	-176.7	56.7	-164.6	-6.5	111.6	E1523 R1529 K1530 E1531	E1523-R1527 VanDerWaalsContact O-CA 3.31Å; E1523-R1527 WeakPolarHBondContact O-CA 3.36Å; E1523-R1527 WeakPolarHBondContact O-CB 3.45Å; E1523-R1527 WeakPolarHBondContact O-CG 3.42Å; E1523-R1527 PolarHBondContact O-N 3.29Å; R1527-R1529 VanDerWaalsContact C-N 3.32Å; R1527-K1530 CarbonylContact O-C 3.55Å; R1527-K1530 VanDerWaalsContact O-C 3.31Å; R1527-K1530 PolarHBondContact O-N 2.75Å; R1527-K1530 VanDerWaalsContact O-N 3.14Å; R1527-E1531 IonicContact CZ-OE2 3.84Å; R1527-E1531 IonicContact NE-OE2 3.73Å; R1527-E1531 PolarHBondContact NE-OE2 2.68Å; R1527-E1531 IonicContact NH2-OE1 3.45Å; R1527-E1531 IonicContact NH2-OE2 2.77Å; R1527-E1531 PolarHBondContact NH2-OE2 2.63Å; R1527-E1531 WeakPolarHBondContact O-CA 3.43Å; R1527-E1531 WeakPolarHBondContact O-CB 3.48Å; R1527-E1531 WeakPolarHBondContact O-CG 3.23Å; R1527-E1531 PolarHBondContact O-N 3.44Å
1528	K	57	Low	50.5	Low	105 Å²	105	106 Å²	106	46%	0.457	50%	0.499	S	S	.	.	H	α-helix	trans	-68.9	-32.9	169.1	-71.5	161.4	-169.2	147.9	0	110.3	E1524 E1532	E1524-K1528 HydrophobicContact CG-CD 4.34Å; E1524-K1528 HydrophobicContact CG-CG 4.45Å; E1524-K1528 WeakPolarHBondContact O-CA 3.2Å; E1524-K1528 WeakPolarHBondContact O-CB 3.35Å; E1524-K1528 WeakPolarHBondContact O-CD 3.3Å; E1524-K1528 WeakPolarHBondContact O-CG 3.2Å; E1524-K1528 PolarHBondContact O-N 3.47Å; E1524-K1528 WeakPolarHBondContact OE1-CE 3.48Å; E1524-K1528 IonicContact OE1-NZ 3.71Å; E1524-K1528 PolarHBondContact OE1-NZ 3.01Å; E1524-K1528 IonicContact OE2-NZ 3.46Å; K1528-E1532 VanDerWaalsContact O-CA 3.29Å; K1528-E1532 WeakPolarHBondContact O-CA 3.24Å; K1528-E1532 WeakPolarHBondContact O-CB 3.11Å; K1528-E1532 PolarHBondContact O-N 3.22Å
1529	R	51.7	Low	50.1	Low	155 Å²	155	111.7 Å²	111.7	59%	0.585	51%	0.513	S	S	*	.	H	α-helix	trans	-69.2	-33.3	164.6	-75.1	165.5	-172.8	160.4	5.6	112.5	V1525 R1527 E1533	V1525-R1529 HydrophobicContact CG1-CG 4.43Å; V1525-R1529 WeakPolarHBondContact O-CA 2.81Å; V1525-R1529 WeakPolarHBondContact O-CB 3.39Å; V1525-R1529 VanDerWaalsContact O-CD 3.27Å; V1525-R1529 WeakPolarHBondContact O-CD 2.97Å; V1525-R1529 WeakPolarHBondContact O-CG 3.31Å; V1525-R1529 PolarHBondContact O-N 2.65Å; R1527-R1529 VanDerWaalsContact C-N 3.32Å; R1529-E1533 WeakPolarHBondContact O-CA 3.4Å; R1529-E1533 WeakPolarHBondContact O-CB 3.26Å; R1529-E1533 PolarHBondContact O-N 2.71Å
1530	K	43.9	Very low	50.2	Low	97 Å²	97	106.1 Å²	106.1	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-90.8	1.9	175.9	-68.9	166.4	-174.1	157.9	0	114.8	E1526 R1527 K1534	E1526-K1530 VanDerWaalsContact CD-NZ 3.33Å; E1526-K1530 HydrophobicContact CG-CD 4Å; E1526-K1530 WeakPolarHBondContact O-CA 3.28Å; E1526-K1530 WeakPolarHBondContact O-CB 3.32Å; E1526-K1530 WeakPolarHBondContact O-CD 3.48Å; E1526-K1530 WeakPolarHBondContact O-CG 3.4Å; E1526-K1530 PolarHBondContact O-N 3.1Å; E1526-K1530 WeakPolarHBondContact OE1-CE 3.02Å; E1526-K1530 IonicContact OE1-NZ 2.61Å; E1526-K1530 PolarHBondContact OE1-NZ 3.01Å; R1527-K1530 CarbonylContact O-C 3.55Å; R1527-K1530 VanDerWaalsContact O-C 3.31Å; R1527-K1530 PolarHBondContact O-N 2.75Å; R1527-K1530 VanDerWaalsContact O-N 3.14Å; K1530-K1534 WeakPolarHBondContact O-CB 2.95Å; K1530-K1534 WeakPolarHBondContact O-CD 2.96Å; K1530-K1534 WeakPolarHBondContact O-CE 3.21Å; K1530-K1534 WeakPolarHBondContact O-CG 3.14Å
1531	E	54.2	Low	49.9	Very low	96 Å²	96	107.5 Å²	107.5	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-114.5	-22.2	171.3	-72	-176.1	85	0	0	110.1	R1527 K1534 A1535	R1527-E1531 IonicContact CZ-OE2 3.84Å; R1527-E1531 IonicContact NE-OE2 3.73Å; R1527-E1531 PolarHBondContact NE-OE2 2.68Å; R1527-E1531 IonicContact NH2-OE1 3.45Å; R1527-E1531 IonicContact NH2-OE2 2.77Å; R1527-E1531 PolarHBondContact NH2-OE2 2.63Å; R1527-E1531 WeakPolarHBondContact O-CA 3.43Å; R1527-E1531 WeakPolarHBondContact O-CB 3.48Å; R1527-E1531 WeakPolarHBondContact O-CG 3.23Å; R1527-E1531 PolarHBondContact O-N 3.44Å; E1531-K1534 CarbonylContact O-C 3.43Å; E1531-K1534 VanDerWaalsContact O-C 3.23Å; E1531-A1535 WeakPolarHBondContact O-CA 3.11Å; E1531-A1535 WeakPolarHBondContact O-CB 3.1Å; E1531-A1535 PolarHBondContact O-N 2.73Å
1532	E	48.9	Very low	49	Very low	129 Å²	129	109 Å²	109	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-85.8	-44.1	163	-157.5	157.6	-134.3	0	0	109.1	K1528 K1534 A1535 E1536 G1537	K1528-E1532 VanDerWaalsContact O-CA 3.29Å; K1528-E1532 WeakPolarHBondContact O-CA 3.24Å; K1528-E1532 WeakPolarHBondContact O-CB 3.11Å; K1528-E1532 PolarHBondContact O-N 3.22Å; E1532-K1534 PolarHBondContact O-N 2.73Å; E1532-A1535 CarbonylContact O-C 3.48Å; E1532-A1535 PolarHBondContact O-N 3.16Å; E1532-E1536 HydrophobicContact CG-CB 4.31Å; E1532-E1536 CarbonylContact O-C 3.56Å; E1532-E1536 WeakPolarHBondContact O-CA 3.49Å; E1532-E1536 VanDerWaalsContact O-CB 3.26Å; E1532-E1536 WeakPolarHBondContact O-CB 3.35Å; E1532-E1536 PolarHBondContact O-N 2.83Å; E1532-G1537 PolarHBondContact O-N 3.36Å
1533	E	47.2	Very low	49	Very low	148 Å²	148	106.6 Å²	106.6	69%	0.692	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	12.2	158.9	-155.7	179.4	-143.6	0	0	112.5	R1529 G1537	R1529-E1533 WeakPolarHBondContact O-CA 3.4Å; R1529-E1533 WeakPolarHBondContact O-CB 3.26Å; R1529-E1533 PolarHBondContact O-N 2.71Å; E1533-G1537 VanDerWaalsContact C-CA 3.44Å; E1533-G1537 WeakPolarHBondContact O-CA 3.47Å
1534	K	41.3	Very low	48.7	Very low	137 Å²	137	104 Å²	104	60%	0.596	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	5.5	151.4	-68.8	175.3	-162.7	172.2	0	114.7	K1530 E1531 E1532 T1538	K1530-K1534 WeakPolarHBondContact O-CB 2.95Å; K1530-K1534 WeakPolarHBondContact O-CD 2.96Å; K1530-K1534 WeakPolarHBondContact O-CE 3.21Å; K1530-K1534 WeakPolarHBondContact O-CG 3.14Å; E1531-K1534 CarbonylContact O-C 3.43Å; E1531-K1534 VanDerWaalsContact O-C 3.23Å; E1532-K1534 PolarHBondContact O-N 2.73Å; K1534-T1538 VanDerWaalsContact C-N 3.26Å; K1534-T1538 VanDerWaalsContact O-CB 3.25Å; K1534-T1538 WeakPolarHBondContact O-CB 3.15Å; K1534-T1538 WeakPolarHBondContact O-CG2 3.46Å; K1534-T1538 PolarHBondContact O-N 3.35Å; K1534-T1538 PolarHBondContact O-OG1 3.34Å
1535	A	48.7	Very low	48.2	Very low	51 Å²	51	101.3 Å²	101.3	42%	0.421	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-48	173.5	0	0	0	0	0	112.6	E1531 E1532 T1538 R1539	E1531-A1535 WeakPolarHBondContact O-CA 3.11Å; E1531-A1535 WeakPolarHBondContact O-CB 3.1Å; E1531-A1535 PolarHBondContact O-N 2.73Å; E1532-A1535 CarbonylContact O-C 3.48Å; E1532-A1535 PolarHBondContact O-N 3.16Å; A1535-T1538 PolarHBondContact O-N 3.41Å; A1535-R1539 WeakPolarHBondContact O-CA 3.5Å; A1535-R1539 WeakPolarHBondContact O-CB 3.3Å; A1535-R1539 PolarHBondContact O-N 2.76Å
1536	E	50.2	Low	47.7	Very low	152 Å²	152	104.7 Å²	104.7	71%	0.71	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.1	140	-172.4	164	-116.2	0	0	112.3	E1532 G1540	E1532-E1536 HydrophobicContact CG-CB 4.31Å; E1532-E1536 CarbonylContact O-C 3.56Å; E1532-E1536 WeakPolarHBondContact O-CA 3.49Å; E1532-E1536 VanDerWaalsContact O-CB 3.26Å; E1532-E1536 WeakPolarHBondContact O-CB 3.35Å; E1532-E1536 PolarHBondContact O-N 2.83Å; E1536-G1540 WeakPolarHBondContact O-CA 3.37Å; E1536-G1540 PolarHBondContact O-N 3.32Å
1537	G	45.3	Very low	47.5	Very low	12 Å²	12	108.6 Å²	108.6	12%	0.124	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-14.8	164.5	0	0	0	0	0	116	E1532 E1533 E1541	E1532-G1537 PolarHBondContact O-N 3.36Å; E1533-G1537 VanDerWaalsContact C-CA 3.44Å; E1533-G1537 WeakPolarHBondContact O-CA 3.47Å; G1537-E1541 WeakPolarHBondContact O-CA 3.15Å; G1537-E1541 WeakPolarHBondContact O-CB 3.41Å; G1537-E1541 WeakPolarHBondContact O-CG 3.05Å; G1537-E1541 PolarHBondContact O-N 2.84Å
1538	T	42.5	Very low	46.8	Very low	78 Å²	78	106.3 Å²	106.3	48%	0.479	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.5	165.8	52.5	0	0	0	0	113.6	K1534 A1535 E1541 K1542	K1534-T1538 VanDerWaalsContact C-N 3.26Å; K1534-T1538 VanDerWaalsContact O-CB 3.25Å; K1534-T1538 WeakPolarHBondContact O-CB 3.15Å; K1534-T1538 WeakPolarHBondContact O-CG2 3.46Å; K1534-T1538 PolarHBondContact O-N 3.35Å; K1534-T1538 PolarHBondContact O-OG1 3.34Å; A1535-T1538 PolarHBondContact O-N 3.41Å; T1538-E1541 CarbonylContact O-C 3.09Å; T1538-E1541 VanDerWaalsContact O-C 3.24Å; T1538-K1542 WeakPolarHBondContact O-CB 3.37Å; T1538-K1542 PolarHBondContact O-N 3.07Å; T1538-K1542 VanDerWaalsContact O-N 3.13Å
1539	R	43.8	Very low	46.5	Very low	194 Å²	194	107.1 Å²	107.1	73%	0.732	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-30.1	154.6	-165.4	176.1	-170.6	163.6	0.1	109.6	A1535 K1542 V1543	A1535-R1539 WeakPolarHBondContact O-CA 3.5Å; A1535-R1539 WeakPolarHBondContact O-CB 3.3Å; A1535-R1539 PolarHBondContact O-N 2.76Å; R1539-K1542 CarbonylContact O-C 3.49Å; R1539-K1542 PolarHBondContact O-N 2.87Å; R1539-V1543 VanDerWaalsContact O-CB 3.26Å; R1539-V1543 WeakPolarHBondContact O-CB 3.41Å; R1539-V1543 WeakPolarHBondContact O-CG2 3.45Å; R1539-V1543 PolarHBondContact O-N 3.38Å
1540	G	48.1	Very low	46.4	Very low	13 Å²	13	105.1 Å²	105.1	13%	0.134	50%	0.496	C	S	.	.	H	α-helix	trans	-53.1	-72.3	150.9	0	0	0	0	0	108.3	E1536 K1542 V1543 E1544 S1545	E1536-G1540 WeakPolarHBondContact O-CA 3.37Å; E1536-G1540 PolarHBondContact O-N 3.32Å; G1540-K1542 PolarHBondContact O-N 3.21Å; G1540-V1543 CarbonylContact O-C 3.58Å; G1540-V1543 PolarHBondContact O-N 2.82Å; G1540-E1544 VanDerWaalsContact C-CB 3.48Å; G1540-E1544 CarbonylContact O-C 3.47Å; G1540-E1544 VanDerWaalsContact O-C 3.25Å; G1540-E1544 WeakPolarHBondContact O-CA 3.19Å; G1540-E1544 WeakPolarHBondContact O-CB 3.16Å; G1540-E1544 PolarHBondContact O-N 2.77Å; G1540-S1545 PolarHBondContact O-N 2.9Å
1541	E	44.1	Very low	46.5	Very low	127 Å²	127	105.2 Å²	105.2	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	33	171.4	-62.3	177.1	129.7	0	0	114.8	G1537 T1538 S1545	G1537-E1541 WeakPolarHBondContact O-CA 3.15Å; G1537-E1541 WeakPolarHBondContact O-CB 3.41Å; G1537-E1541 WeakPolarHBondContact O-CG 3.05Å; G1537-E1541 PolarHBondContact O-N 2.84Å; T1538-E1541 CarbonylContact O-C 3.09Å; T1538-E1541 VanDerWaalsContact O-C 3.24Å; E1541-S1545 VanDerWaalsContact CA-CB 3.49Å; E1541-S1545 WeakPolarHBondContact O-CB 3.44Å; E1541-S1545 PolarHBondContact O-OG 2.6Å
1542	K	41.5	Very low	46	Very low	150 Å²	150	103.7 Å²	103.7	65%	0.652	50%	0.496	S	S	*	.	H	α-helix	trans	-136.4	-3.7	154.6	-153.2	157	-168.3	162.2	0	115.4	T1538 R1539 G1540 S1545 K1546	T1538-K1542 WeakPolarHBondContact O-CB 3.37Å; T1538-K1542 PolarHBondContact O-N 3.07Å; T1538-K1542 VanDerWaalsContact O-N 3.13Å; R1539-K1542 CarbonylContact O-C 3.49Å; R1539-K1542 PolarHBondContact O-N 2.87Å; G1540-K1542 PolarHBondContact O-N 3.21Å; K1542-S1545 WeakPolarHBondContact CA-OG 3.49Å; K1542-S1545 PolarHBondContact N-OG 3.37Å; K1542-S1545 VanDerWaalsContact N-OG 3.15Å; K1542-K1546 WeakPolarHBondContact O-CG 3.27Å
1543	V	49.4	Very low	46.4	Very low	82 Å²	82	101.3 Å²	101.3	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-131.1	-51.3	176.1	178.7	0	0	0	0	110.2	R1539 G1540 S1545 K1546 R1547	R1539-V1543 VanDerWaalsContact O-CB 3.26Å; R1539-V1543 WeakPolarHBondContact O-CB 3.41Å; R1539-V1543 WeakPolarHBondContact O-CG2 3.45Å; R1539-V1543 PolarHBondContact O-N 3.38Å; G1540-V1543 CarbonylContact O-C 3.58Å; G1540-V1543 PolarHBondContact O-N 2.82Å; V1543-S1545 VanDerWaalsContact C-N 3.35Å; V1543-K1546 CarbonylContact O-C 3.32Å; V1543-K1546 PolarHBondContact O-N 2.69Å; V1543-R1547 WeakPolarHBondContact O-CB 3.48Å; V1543-R1547 WeakPolarHBondContact O-CG 3.35Å; V1543-R1547 PolarHBondContact O-N 2.85Å
1544	E	47.3	Very low	46.5	Very low	78 Å²	78	99.8 Å²	99.8	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-25.6	157	-166.1	65	-173.2	0	0	113.3	G1540 K1548	G1540-E1544 VanDerWaalsContact C-CB 3.48Å; G1540-E1544 CarbonylContact O-C 3.47Å; G1540-E1544 VanDerWaalsContact O-C 3.25Å; G1540-E1544 WeakPolarHBondContact O-CA 3.19Å; G1540-E1544 WeakPolarHBondContact O-CB 3.16Å; G1540-E1544 PolarHBondContact O-N 2.77Å; E1544-K1548 HydrophobicContact CG-CD 4.07Å; E1544-K1548 HydrophobicContact CG-CG 4.38Å; E1544-K1548 WeakPolarHBondContact O-CA 3.42Å; E1544-K1548 WeakPolarHBondContact O-CB 3.34Å; E1544-K1548 WeakPolarHBondContact O-CG 3.48Å; E1544-K1548 PolarHBondContact O-N 2.96Å; E1544-K1548 VanDerWaalsContact OE1-CE 3.26Å; E1544-K1548 WeakPolarHBondContact OE1-CE 3.47Å; E1544-K1548 IonicContact OE1-NZ 2.69Å
1545	S	45.1	Very low	46.7	Very low	31 Å²	31	98.3 Å²	98.3	22%	0.217	47%	0.474	C	S	.	.	H	α-helix	trans	-79.5	-21.9	164.1	67.5	0	0	0	0	112.4	G1540 E1541 K1542 V1543 E1549	G1540-S1545 PolarHBondContact O-N 2.9Å; E1541-S1545 VanDerWaalsContact CA-CB 3.49Å; E1541-S1545 WeakPolarHBondContact O-CB 3.44Å; E1541-S1545 PolarHBondContact O-OG 2.6Å; K1542-S1545 WeakPolarHBondContact CA-OG 3.49Å; K1542-S1545 PolarHBondContact N-OG 3.37Å; K1542-S1545 VanDerWaalsContact N-OG 3.15Å; V1543-S1545 VanDerWaalsContact C-N 3.35Å; S1545-E1549 WeakPolarHBondContact O-CA 3.47Å; S1545-E1549 WeakPolarHBondContact O-CB 3.1Å; S1545-E1549 WeakPolarHBondContact O-CG 3.33Å; S1545-E1549 PolarHBondContact O-N 3.12Å
1546	K	44.3	Very low	47.1	Very low	131 Å²	131	101.8 Å²	101.8	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-79.3	-30.4	169.5	-73.8	-169.2	171.3	-162	0	112.2	K1542 V1543 E1550	K1542-K1546 WeakPolarHBondContact O-CG 3.27Å; V1543-K1546 CarbonylContact O-C 3.32Å; V1543-K1546 PolarHBondContact O-N 2.69Å; K1546-E1550 WeakPolarHBondContact O-CB 3.25Å; K1546-E1550 WeakPolarHBondContact O-CG 3.39Å; K1546-E1550 PolarHBondContact O-N 3.47Å
1547	R	47.5	Very low	47.5	Very low	163 Å²	163	100.8 Å²	100.8	62%	0.615	48%	0.477	S	S	*	.	H	α-helix	trans	-78.4	-34.3	170.4	-74.1	174.3	170.6	179.6	-2.8	112	V1543 E1550 E1551	V1543-R1547 WeakPolarHBondContact O-CB 3.48Å; V1543-R1547 WeakPolarHBondContact O-CG 3.35Å; V1543-R1547 PolarHBondContact O-N 2.85Å; R1547-E1550 CarbonylContact O-C 3.58Å; R1547-E1550 PolarHBondContact O-N 3.26Å; R1547-E1551 WeakPolarHBondContact O-CA 3.43Å; R1547-E1551 WeakPolarHBondContact O-CB 3.38Å; R1547-E1551 PolarHBondContact O-N 3.37Å
1548	K	40.9	Very low	48	Very low	103 Å²	103	105.1 Å²	105.1	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-77.1	-28.5	168.3	-71.5	171.5	-178.5	166.1	0	111.6	E1544 E1551 T1552	E1544-K1548 HydrophobicContact CG-CD 4.07Å; E1544-K1548 HydrophobicContact CG-CG 4.38Å; E1544-K1548 WeakPolarHBondContact O-CA 3.42Å; E1544-K1548 WeakPolarHBondContact O-CB 3.34Å; E1544-K1548 WeakPolarHBondContact O-CG 3.48Å; E1544-K1548 PolarHBondContact O-N 2.96Å; E1544-K1548 VanDerWaalsContact OE1-CE 3.26Å; E1544-K1548 WeakPolarHBondContact OE1-CE 3.47Å; E1544-K1548 IonicContact OE1-NZ 2.69Å; K1548-E1551 PolarHBondContact O-N 2.91Å; K1548-T1552 VanDerWaalsContact O-CA 3.31Å; K1548-T1552 WeakPolarHBondContact O-CA 3.32Å; K1548-T1552 WeakPolarHBondContact O-CB 3.22Å; K1548-T1552 WeakPolarHBondContact O-CG2 3.44Å; K1548-T1552 PolarHBondContact O-N 2.96Å; K1548-T1552 PolarHBondContact O-OG1 3.39Å
1549	E	50.7	Low	48.8	Very low	122 Å²	122	104.6 Å²	104.6	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-66.5	-44.4	164.3	-82	177.2	142.8	0	0	109.4	S1545 E1551 V1553	S1545-E1549 WeakPolarHBondContact O-CA 3.47Å; S1545-E1549 WeakPolarHBondContact O-CB 3.1Å; S1545-E1549 WeakPolarHBondContact O-CG 3.33Å; S1545-E1549 PolarHBondContact O-N 3.12Å; E1549-E1551 PolarHBondContact O-N 2.84Å; E1549-V1553 WeakPolarHBondContact O-CA 3.45Å; E1549-V1553 WeakPolarHBondContact O-CB 3Å; E1549-V1553 WeakPolarHBondContact O-CG2 3.37Å; E1549-V1553 PolarHBondContact O-N 2.98Å
1550	E	49.4	Very low	49.8	Very low	114 Å²	114	99.2 Å²	99.2	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-32	174.7	-84.3	-157.1	83.8	0	0	114	K1546 R1547 K1554	K1546-E1550 WeakPolarHBondContact O-CB 3.25Å; K1546-E1550 WeakPolarHBondContact O-CG 3.39Å; K1546-E1550 PolarHBondContact O-N 3.47Å; R1547-E1550 CarbonylContact O-C 3.58Å; R1547-E1550 PolarHBondContact O-N 3.26Å; E1550-K1554 VanDerWaalsContact O-CB 3.24Å; E1550-K1554 WeakPolarHBondContact O-CB 3.35Å; E1550-K1554 VanDerWaalsContact O-CD 3.26Å; E1550-K1554 WeakPolarHBondContact O-CD 3.45Å; E1550-K1554 WeakPolarHBondContact O-CG 3.38Å; E1550-K1554 PolarHBondContact O-N 2.88Å; E1550-K1554 IonicContact OE1-NZ 3.29Å; E1550-K1554 PolarHBondContact OE1-NZ 3.24Å
1551	E	45.4	Very low	50.3	Low	98 Å²	98	106.4 Å²	106.4	46%	0.458	50%	0.497	S	S	.	.	H	α-helix	trans	-94.8	-25.9	-176.7	-152.6	-159.4	-175.5	0	0	112.7	R1547 K1548 E1549 K1555	R1547-E1551 WeakPolarHBondContact O-CA 3.43Å; R1547-E1551 WeakPolarHBondContact O-CB 3.38Å; R1547-E1551 PolarHBondContact O-N 3.37Å; K1548-E1551 PolarHBondContact O-N 2.91Å; E1549-E1551 PolarHBondContact O-N 2.84Å; E1551-K1555 VanDerWaalsContact CD-CE 3.41Å; E1551-K1555 HydrophobicContact CG-CD 4.27Å; E1551-K1555 WeakPolarHBondContact O-CA 3.46Å; E1551-K1555 WeakPolarHBondContact O-CB 3.29Å; E1551-K1555 WeakPolarHBondContact O-CD 3.31Å; E1551-K1555 WeakPolarHBondContact O-CG 3.35Å; E1551-K1555 PolarHBondContact O-N 3.01Å; E1551-K1555 WeakPolarHBondContact OE1-CE 3.39Å; E1551-K1555 IonicContact OE1-NZ 2.71Å; E1551-K1555 PolarHBondContact OE1-NZ 2.92Å; E1551-K1555 IonicContact OE2-NZ 3.16Å; E1551-K1555 PolarHBondContact OE2-NZ 3.26Å
1552	T	43.8	Very low	50.8	Low	65 Å²	65	105.9 Å²	105.9	40%	0.399	49%	0.493	S	S	.	.	H	α-helix	trans	-77.2	-37.3	162.6	71.4	0	0	0	0	110	K1548 K1554 K1555 E1556	K1548-T1552 VanDerWaalsContact O-CA 3.31Å; K1548-T1552 WeakPolarHBondContact O-CA 3.32Å; K1548-T1552 WeakPolarHBondContact O-CB 3.22Å; K1548-T1552 WeakPolarHBondContact O-CG2 3.44Å; K1548-T1552 PolarHBondContact O-N 2.96Å; K1548-T1552 PolarHBondContact O-OG1 3.39Å; T1552-K1554 VanDerWaalsContact C-N 3.3Å; T1552-K1554 PolarHBondContact O-N 3.05Å; T1552-K1555 CarbonylContact O-C 3.54Å; T1552-K1555 PolarHBondContact O-N 2.75Å; T1552-E1556 WeakPolarHBondContact O-CA 3.41Å; T1552-E1556 WeakPolarHBondContact O-CB 3.43Å; T1552-E1556 WeakPolarHBondContact O-CG 3.3Å; T1552-E1556 PolarHBondContact O-N 2.95Å
1553	V	57.8	Low	51.6	Low	79 Å²	79	106.6 Å²	106.6	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-36.6	169.2	172.4	0	0	0	0	110.6	E1549 E1557	E1549-V1553 WeakPolarHBondContact O-CA 3.45Å; E1549-V1553 WeakPolarHBondContact O-CB 3Å; E1549-V1553 WeakPolarHBondContact O-CG2 3.37Å; E1549-V1553 PolarHBondContact O-N 2.98Å; V1553-E1557 HydrophobicContact CG1-CG 4.49Å; V1553-E1557 VanDerWaalsContact O-CB 3.24Å; V1553-E1557 WeakPolarHBondContact O-CB 3.31Å; V1553-E1557 WeakPolarHBondContact O-CG 3.19Å; V1553-E1557 PolarHBondContact O-N 2.8Å
1554	K	50	Low	51.7	Low	116 Å²	116	108 Å²	108	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-72.9	-37.1	172.7	-75.4	164	-169.7	141.3	0	113.6	E1550 T1552 E1558	E1550-K1554 VanDerWaalsContact O-CB 3.24Å; E1550-K1554 WeakPolarHBondContact O-CB 3.35Å; E1550-K1554 VanDerWaalsContact O-CD 3.26Å; E1550-K1554 WeakPolarHBondContact O-CD 3.45Å; E1550-K1554 WeakPolarHBondContact O-CG 3.38Å; E1550-K1554 PolarHBondContact O-N 2.88Å; E1550-K1554 IonicContact OE1-NZ 3.29Å; E1550-K1554 PolarHBondContact OE1-NZ 3.24Å; T1552-K1554 VanDerWaalsContact C-N 3.3Å; T1552-K1554 PolarHBondContact O-N 3.05Å; K1554-E1558 VanDerWaalsContact O-CB 3.32Å; K1554-E1558 WeakPolarHBondContact O-CB 3.39Å; K1554-E1558 PolarHBondContact O-N 2.62Å
1555	K	44.9	Very low	52.1	Low	106 Å²	106	110.7 Å²	110.7	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-75.7	-29.9	175.5	-75.1	165.9	-176	163	0	112.4	E1551 T1552 V1559	E1551-K1555 VanDerWaalsContact CD-CE 3.41Å; E1551-K1555 HydrophobicContact CG-CD 4.27Å; E1551-K1555 WeakPolarHBondContact O-CA 3.46Å; E1551-K1555 WeakPolarHBondContact O-CB 3.29Å; E1551-K1555 WeakPolarHBondContact O-CD 3.31Å; E1551-K1555 WeakPolarHBondContact O-CG 3.35Å; E1551-K1555 PolarHBondContact O-N 3.01Å; E1551-K1555 WeakPolarHBondContact OE1-CE 3.39Å; E1551-K1555 IonicContact OE1-NZ 2.71Å; E1551-K1555 PolarHBondContact OE1-NZ 2.92Å; E1551-K1555 IonicContact OE2-NZ 3.16Å; E1551-K1555 PolarHBondContact OE2-NZ 3.26Å; T1552-K1555 CarbonylContact O-C 3.54Å; T1552-K1555 PolarHBondContact O-N 2.75Å; K1555-V1559 WeakPolarHBondContact O-CA 3.22Å; K1555-V1559 WeakPolarHBondContact O-CB 3.27Å; K1555-V1559 WeakPolarHBondContact O-CG2 3.4Å; K1555-V1559 PolarHBondContact O-N 2.95Å
1556	E	57.9	Low	52.2	Low	123 Å²	123	114.5 Å²	114.5	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-77.2	-39	171.3	-70.1	177.8	146.7	0	0	109.6	T1552 E1558 V1559 E1560	T1552-E1556 WeakPolarHBondContact O-CA 3.41Å; T1552-E1556 WeakPolarHBondContact O-CB 3.43Å; T1552-E1556 WeakPolarHBondContact O-CG 3.3Å; T1552-E1556 PolarHBondContact O-N 2.95Å; E1556-E1558 VanDerWaalsContact C-N 3.28Å; E1556-E1558 PolarHBondContact O-N 2.93Å; E1556-V1559 PolarHBondContact O-N 2.73Å; E1556-E1560 WeakPolarHBondContact O-CA 3.4Å; E1556-E1560 WeakPolarHBondContact O-CB 3.14Å; E1556-E1560 PolarHBondContact O-N 3.08Å
1557	E	58.6	Low	52.8	Low	132 Å²	132	114.5 Å²	114.5	62%	0.617	52%	0.519	S	S	*	.	H	α-helix	trans	-63.3	-34	167.5	-80.8	-161.3	129.2	0	0	111.9	V1553 R1561	V1553-E1557 HydrophobicContact CG1-CG 4.49Å; V1553-E1557 VanDerWaalsContact O-CB 3.24Å; V1553-E1557 WeakPolarHBondContact O-CB 3.31Å; V1553-E1557 WeakPolarHBondContact O-CG 3.19Å; V1553-E1557 PolarHBondContact O-N 2.8Å; E1557-R1561 WeakPolarHBondContact O-CB 3.25Å; E1557-R1561 WeakPolarHBondContact O-CG 3.31Å; E1557-R1561 PolarHBondContact O-N 3.03Å
1558	E	55.5	Low	52.8	Low	103 Å²	103	112.6 Å²	112.6	48%	0.481	52%	0.516	S	S	.	.	H	α-helix	trans	-76.4	-38.1	175.3	-159.7	-175	134.5	0	0	112.8	K1554 E1556 K1562	K1554-E1558 VanDerWaalsContact O-CB 3.32Å; K1554-E1558 WeakPolarHBondContact O-CB 3.39Å; K1554-E1558 PolarHBondContact O-N 2.62Å; E1556-E1558 VanDerWaalsContact C-N 3.28Å; E1556-E1558 PolarHBondContact O-N 2.93Å; E1558-K1562 HydrophobicContact CG-CD 4.4Å; E1558-K1562 VanDerWaalsContact O-CB 3.31Å; E1558-K1562 WeakPolarHBondContact O-CB 3.32Å; E1558-K1562 VanDerWaalsContact O-CG 3.27Å; E1558-K1562 WeakPolarHBondContact O-CG 3.48Å; E1558-K1562 PolarHBondContact O-N 2.92Å; E1558-K1562 WeakPolarHBondContact OE1-CE 3.41Å; E1558-K1562 IonicContact OE1-NZ 3.76Å; E1558-K1562 PolarHBondContact OE1-NZ 3.06Å
1559	V	59.3	Low	53	Low	67 Å²	67	110.4 Å²	110.4	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-75.5	-33.2	176.2	166.9	0	0	0	0	111.4	K1555 E1556 K1562 R1563	K1555-V1559 WeakPolarHBondContact O-CA 3.22Å; K1555-V1559 WeakPolarHBondContact O-CB 3.27Å; K1555-V1559 WeakPolarHBondContact O-CG2 3.4Å; K1555-V1559 PolarHBondContact O-N 2.95Å; E1556-V1559 PolarHBondContact O-N 2.73Å; V1559-K1562 PolarHBondContact O-N 2.87Å; V1559-R1563 HydrophobicContact CG1-CG 4.43Å; V1559-R1563 VanDerWaalsContact O-CB 3.25Å; V1559-R1563 WeakPolarHBondContact O-CB 3.41Å; V1559-R1563 VanDerWaalsContact O-CG 3.25Å; V1559-R1563 WeakPolarHBondContact O-CG 3.46Å; V1559-R1563 PolarHBondContact O-N 2.88Å
1560	E	63.7	Low	53.2	Low	81 Å²	81	109.6 Å²	109.6	38%	0.379	51%	0.513	S	S	.	.	H	α-helix	trans	-74.5	-35.3	173.3	-175	68.2	175.1	0	0	110.6	E1556 K1564	E1556-E1560 WeakPolarHBondContact O-CA 3.4Å; E1556-E1560 WeakPolarHBondContact O-CB 3.14Å; E1556-E1560 PolarHBondContact O-N 3.08Å; E1560-K1564 HydrophobicContact CG-CD 4.18Å; E1560-K1564 VanDerWaalsContact O-CB 3.25Å; E1560-K1564 WeakPolarHBondContact O-CB 3.39Å; E1560-K1564 WeakPolarHBondContact O-CG 3.48Å; E1560-K1564 PolarHBondContact O-N 2.94Å; E1560-K1564 WeakPolarHBondContact OE1-CE 3.09Å; E1560-K1564 IonicContact OE1-NZ 2.99Å; E1560-K1564 PolarHBondContact OE1-NZ 3.45Å
1561	R	60.2	Low	52.9	Low	164 Å²	164	107.7 Å²	107.7	62%	0.619	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-43.3	166.1	-82.4	-176.7	59.4	-153	-14	111.9	E1557 K1564 E1565	E1557-R1561 WeakPolarHBondContact O-CB 3.25Å; E1557-R1561 WeakPolarHBondContact O-CG 3.31Å; E1557-R1561 PolarHBondContact O-N 3.03Å; R1561-K1564 PolarHBondContact O-N 3.37Å; R1561-E1565 WeakPolarHBondContact O-CB 3.12Å; R1561-E1565 PolarHBondContact O-N 2.74Å
1562	K	52.9	Low	52.9	Low	115 Å²	115	108 Å²	108	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.5	-79.7	165.9	172	168.4	0	111.7	E1558 V1559 E1565 E1566	E1558-K1562 HydrophobicContact CG-CD 4.4Å; E1558-K1562 VanDerWaalsContact O-CB 3.31Å; E1558-K1562 WeakPolarHBondContact O-CB 3.32Å; E1558-K1562 VanDerWaalsContact O-CG 3.27Å; E1558-K1562 WeakPolarHBondContact O-CG 3.48Å; E1558-K1562 PolarHBondContact O-N 2.92Å; E1558-K1562 WeakPolarHBondContact OE1-CE 3.41Å; E1558-K1562 IonicContact OE1-NZ 3.76Å; E1558-K1562 PolarHBondContact OE1-NZ 3.06Å; V1559-K1562 PolarHBondContact O-N 2.87Å; K1562-E1565 PolarHBondContact O-N 3.12Å; K1562-E1566 WeakPolarHBondContact O-CB 3.25Å; K1562-E1566 PolarHBondContact O-N 3.5Å
1563	R	60	Low	52.7	Low	165 Å²	165	112.3 Å²	112.3	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-59.4	-49.6	171.3	-78.6	173.9	171.4	173	-3.2	111.1	V1559 E1565 E1566 E1567	V1559-R1563 HydrophobicContact CG1-CG 4.43Å; V1559-R1563 VanDerWaalsContact O-CB 3.25Å; V1559-R1563 WeakPolarHBondContact O-CB 3.41Å; V1559-R1563 VanDerWaalsContact O-CG 3.25Å; V1559-R1563 WeakPolarHBondContact O-CG 3.46Å; V1559-R1563 PolarHBondContact O-N 2.88Å; R1563-E1565 VanDerWaalsContact C-N 3.29Å; R1563-E1565 PolarHBondContact O-N 2.9Å; R1563-E1566 PolarHBondContact O-N 2.76Å; R1563-E1567 WeakPolarHBondContact O-CB 3.38Å; R1563-E1567 PolarHBondContact O-N 2.88Å
1564	K	50.1	Low	52	Low	112 Å²	112	110.1 Å²	110.1	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-72	-15.3	178.5	-75.4	170.6	169.3	152.1	0	115.2	E1560 R1561 K1568	E1560-K1564 HydrophobicContact CG-CD 4.18Å; E1560-K1564 VanDerWaalsContact O-CB 3.25Å; E1560-K1564 WeakPolarHBondContact O-CB 3.39Å; E1560-K1564 WeakPolarHBondContact O-CG 3.48Å; E1560-K1564 PolarHBondContact O-N 2.94Å; E1560-K1564 WeakPolarHBondContact OE1-CE 3.09Å; E1560-K1564 IonicContact OE1-NZ 2.99Å; E1560-K1564 PolarHBondContact OE1-NZ 3.45Å; R1561-K1564 PolarHBondContact O-N 3.37Å; K1564-K1568 WeakPolarHBondContact O-CB 3.08Å; K1564-K1568 WeakPolarHBondContact O-CG 3.48Å
1565	E	56.3	Low	51.9	Low	135 Å²	135	111.9 Å²	111.9	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-93.7	-30.2	174.1	-161.5	156	-143	0	0	111.1	R1561 K1562 R1563 A1569	R1561-E1565 WeakPolarHBondContact O-CB 3.12Å; R1561-E1565 PolarHBondContact O-N 2.74Å; K1562-E1565 PolarHBondContact O-N 3.12Å; R1563-E1565 VanDerWaalsContact C-N 3.29Å; R1563-E1565 PolarHBondContact O-N 2.9Å; E1565-A1569 WeakPolarHBondContact O-CB 3.12Å; E1565-A1569 PolarHBondContact O-N 3.17Å
1566	E	48.3	Very low	51.4	Low	110 Å²	110	114.4 Å²	114.4	51%	0.514	55%	0.545	S	S	.	.	H	α-helix	trans	-81	-42.7	173.1	-165	150.7	-141.5	0	0	111.9	K1562 R1563 K1568 A1569 E1570	K1562-E1566 WeakPolarHBondContact O-CB 3.25Å; K1562-E1566 PolarHBondContact O-N 3.5Å; R1563-E1566 PolarHBondContact O-N 2.76Å; E1566-K1568 VanDerWaalsContact C-N 3.27Å; E1566-K1568 PolarHBondContact O-N 3.2Å; E1566-A1569 CarbonylContact O-C 3.6Å; E1566-A1569 WeakPolarHBondContact O-CA 3.47Å; E1566-A1569 WeakPolarHBondContact O-CB 2.93Å; E1566-A1569 PolarHBondContact O-N 3.05Å; E1566-E1570 WeakPolarHBondContact O-CB 3.45Å; E1566-E1570 PolarHBondContact O-N 3.41Å
1567	E	55.3	Low	50.6	Low	131 Å²	131	111.6 Å²	111.6	61%	0.612	54%	0.536	S	S	*	.	H	α-helix	trans	-59.7	-34	173	-176.6	-179.4	-130.6	0	0	112.3	R1563 S1571	R1563-E1567 WeakPolarHBondContact O-CB 3.38Å; R1563-E1567 PolarHBondContact O-N 2.88Å; E1567-S1571 WeakPolarHBondContact O-CB 3.26Å; E1567-S1571 PolarHBondContact O-N 2.69Å; E1567-S1571 PolarHBondContact O-OG 2.93Å
1568	K	47.3	Very low	50.2	Low	123 Å²	123	110.2 Å²	110.2	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-78.3	-22	172.1	-76.8	-169.3	170.6	-167.6	0	114.2	K1564 E1566 S1571 T1572	K1564-K1568 WeakPolarHBondContact O-CB 3.08Å; K1564-K1568 WeakPolarHBondContact O-CG 3.48Å; E1566-K1568 VanDerWaalsContact C-N 3.27Å; E1566-K1568 PolarHBondContact O-N 3.2Å; K1568-S1571 WeakPolarHBondContact CA-OG 3.2Å; K1568-T1572 PolarHBondContact O-OG1 2.84Å
1569	A	46	Very low	49.9	Very low	58 Å²	58	109 Å²	109	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-84.9	-29.1	171.3	0	0	0	0	0	112.4	E1565 E1566 R1573	E1565-A1569 WeakPolarHBondContact O-CB 3.12Å; E1565-A1569 PolarHBondContact O-N 3.17Å; E1566-A1569 CarbonylContact O-C 3.6Å; E1566-A1569 WeakPolarHBondContact O-CA 3.47Å; E1566-A1569 WeakPolarHBondContact O-CB 2.93Å; E1566-A1569 PolarHBondContact O-N 3.05Å; A1569-R1573 WeakPolarHBondContact O-CB 3.45Å; A1569-R1573 PolarHBondContact O-N 3.2Å
1570	E	54.4	Low	48.8	Very low	105 Å²	105	112.1 Å²	112.1	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-47.9	176.6	-160.1	98.8	-110.4	0	0	110.1	E1566 T1572 R1573 G1574	E1566-E1570 WeakPolarHBondContact O-CB 3.45Å; E1566-E1570 PolarHBondContact O-N 3.41Å; E1570-T1572 PolarHBondContact O-N 3.16Å; E1570-R1573 CarbonylContact O-C 3.59Å; E1570-R1573 WeakPolarHBondContact O-CA 3.27Å; E1570-R1573 PolarHBondContact O-N 3.08Å; E1570-G1574 PolarHBondContact O-N 3.3Å
1571	S	44.2	Very low	47.9	Very low	73 Å²	73	113.7 Å²	113.7	51%	0.51	54%	0.539	S	S	.	.	H	α-helix	trans	-59.6	-38.8	178.9	45.2	0	0	0	0	113.9	E1567 K1568 R1573 G1574 E1575	E1567-S1571 WeakPolarHBondContact O-CB 3.26Å; E1567-S1571 PolarHBondContact O-N 2.69Å; E1567-S1571 PolarHBondContact O-OG 2.93Å; K1568-S1571 WeakPolarHBondContact CA-OG 3.2Å; S1571-R1573 VanDerWaalsContact C-N 3.31Å; S1571-R1573 PolarHBondContact O-N 3.09Å; S1571-G1574 PolarHBondContact O-N 2.82Å; S1571-E1575 PolarHBondContact O-N 3.23Å
1572	T	44.1	Very low	47.2	Very low	105 Å²	105	111 Å²	111	64%	0.644	53%	0.532	S	S	*	.	H	α-helix	trans	-78.2	-12.3	174.8	49.9	0	0	0	0	114	K1568 E1570	K1568-T1572 PolarHBondContact O-OG1 2.84Å; E1570-T1572 PolarHBondContact O-N 3.16Å
1573	R	40.1	Very low	46.9	Very low	156 Å²	156	110.8 Å²	110.8	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-90.4	-30.5	167	-172.1	171.5	178.8	129.9	0.6	111.9	A1569 E1570 S1571 K1576 V1577	A1569-R1573 WeakPolarHBondContact O-CB 3.45Å; A1569-R1573 PolarHBondContact O-N 3.2Å; E1570-R1573 CarbonylContact O-C 3.59Å; E1570-R1573 WeakPolarHBondContact O-CA 3.27Å; E1570-R1573 PolarHBondContact O-N 3.08Å; S1571-R1573 VanDerWaalsContact C-N 3.31Å; S1571-R1573 PolarHBondContact O-N 3.09Å; R1573-K1576 PolarHBondContact O-N 2.94Å; R1573-V1577 HydrophobicContact CG-CG2 4.05Å; R1573-V1577 WeakPolarHBondContact O-CB 2.93Å; R1573-V1577 WeakPolarHBondContact O-CG2 3.37Å; R1573-V1577 PolarHBondContact O-N 3.47Å
1574	G	42.6	Very low	46.2	Very low	33 Å²	33	109.1 Å²	109.1	34%	0.34	53%	0.532	S	S	.	.	H	α-helix	trans	-52.8	-56.7	175.3	0	0	0	0	0	111.2	E1570 S1571 K1576 V1577 E1578	E1570-G1574 PolarHBondContact O-N 3.3Å; S1571-G1574 PolarHBondContact O-N 2.82Å; G1574-K1576 VanDerWaalsContact C-N 3.31Å; G1574-K1576 PolarHBondContact O-N 2.74Å; G1574-V1577 CarbonylContact O-C 3.54Å; G1574-V1577 WeakPolarHBondContact O-CA 3.48Å; G1574-V1577 PolarHBondContact O-N 2.77Å; G1574-E1578 WeakPolarHBondContact O-CB 3.12Å; G1574-E1578 PolarHBondContact O-N 2.85Å
1575	E	48.2	Very low	46.2	Very low	152 Å²	152	108 Å²	108	71%	0.71	53%	0.529	S	S	*	.	H	α-helix	trans	-57.6	-37.6	-178.1	-171	171.6	-150.9	0	0	114	S1571 E1578 T1579	S1571-E1575 PolarHBondContact O-N 3.23Å; E1575-E1578 PolarHBondContact O-N 2.96Å; E1575-T1579 PolarHBondContact O-N 3.1Å; E1575-T1579 PolarHBondContact O-OG1 3.27Å; E1575-T1579 VanDerWaalsContact O-OG1 3.11Å
1576	K	34.6	Very low	45.9	Very low	160 Å²	160	105.5 Å²	105.5	70%	0.696	52%	0.523	S	S	*	.	H	α-helix	trans	-84	-19.3	177.1	-157.1	156.8	-169.8	165.5	0	114.2	R1573 G1574 T1579 K1580	R1573-K1576 PolarHBondContact O-N 2.94Å; G1574-K1576 VanDerWaalsContact C-N 3.31Å; G1574-K1576 PolarHBondContact O-N 2.74Å; K1576-T1579 WeakPolarHBondContact CA-OG1 3.1Å; K1576-T1579 PolarHBondContact O-OG1 3.35Å; K1576-K1580 PolarHBondContact O-N 3.25Å
1577	V	41.2	Very low	46	Very low	64 Å²	64	104 Å²	104	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-81	-23.3	164.4	172.1	0	0	0	0	110.8	R1573 G1574 K1580 R1581	R1573-V1577 HydrophobicContact CG-CG2 4.05Å; R1573-V1577 WeakPolarHBondContact O-CB 2.93Å; R1573-V1577 WeakPolarHBondContact O-CG2 3.37Å; R1573-V1577 PolarHBondContact O-N 3.47Å; G1574-V1577 CarbonylContact O-C 3.54Å; G1574-V1577 WeakPolarHBondContact O-CA 3.48Å; G1574-V1577 PolarHBondContact O-N 2.77Å; V1577-K1580 CarbonylContact O-C 3.44Å; V1577-R1581 HydrophobicContact CG1-CG 4.29Å; V1577-R1581 WeakPolarHBondContact O-CA 3.49Å; V1577-R1581 VanDerWaalsContact O-CB 3.22Å; V1577-R1581 WeakPolarHBondContact O-CB 3.35Å; V1577-R1581 WeakPolarHBondContact O-CG 3.49Å; V1577-R1581 PolarHBondContact O-N 2.94Å
1578	E	49.8	Very low	45.6	Very low	103 Å²	103	104 Å²	104	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-83.6	-31.3	178.1	-156.7	-176.2	128.7	0	0	112.2	G1574 E1575 R1581 K1582	G1574-E1578 WeakPolarHBondContact O-CB 3.12Å; G1574-E1578 PolarHBondContact O-N 2.85Å; E1575-E1578 PolarHBondContact O-N 2.96Å; E1578-R1581 CarbonylContact O-C 3.55Å; E1578-K1582 WeakPolarHBondContact O-CB 3.44Å; E1578-K1582 WeakPolarHBondContact O-CD 3.33Å; E1578-K1582 VanDerWaalsContact O-CG 3.23Å; E1578-K1582 WeakPolarHBondContact O-CG 3.4Å; E1578-K1582 PolarHBondContact O-N 2.87Å; E1578-K1582 WeakPolarHBondContact OE1-CE 3.47Å; E1578-K1582 IonicContact OE1-NZ 2.61Å; E1578-K1582 PolarHBondContact OE1-NZ 3.29Å
1579	T	49.3	Very low	45.8	Very low	76 Å²	76	102.8 Å²	102.8	47%	0.466	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-43.7	164.2	39.5	0	0	0	0	111.2	E1575 K1576 K1582 E1583	E1575-T1579 PolarHBondContact O-N 3.1Å; E1575-T1579 PolarHBondContact O-OG1 3.27Å; E1575-T1579 VanDerWaalsContact O-OG1 3.11Å; K1576-T1579 WeakPolarHBondContact CA-OG1 3.1Å; K1576-T1579 PolarHBondContact O-OG1 3.35Å; T1579-K1582 WeakPolarHBondContact O-CA 3.42Å; T1579-K1582 WeakPolarHBondContact O-CB 3.12Å; T1579-K1582 PolarHBondContact O-N 3.12Å; T1579-E1583 PolarHBondContact O-N 2.89Å
1580	K	36	Very low	46.1	Very low	134 Å²	134	106.6 Å²	106.6	58%	0.583	52%	0.521	S	S	*	.	H	α-helix	trans	-67.7	-34	172.7	-78.6	-114	158.8	-150.9	0	113.9	K1576 V1577 K1582 E1583 E1584	K1576-K1580 PolarHBondContact O-N 3.25Å; V1577-K1580 CarbonylContact O-C 3.44Å; K1580-K1582 VanDerWaalsContact C-N 3.25Å; K1580-K1582 PolarHBondContact O-N 3.37Å; K1580-E1583 WeakPolarHBondContact CE-OE2 3.12Å; K1580-E1583 IonicContact NZ-OE2 3.11Å; K1580-E1583 PolarHBondContact O-N 3.1Å; K1580-E1584 WeakPolarHBondContact O-CB 3.48Å; K1580-E1584 PolarHBondContact O-N 3.45Å
1581	R	45.2	Very low	45.7	Very low	114 Å²	114	107.3 Å²	107.3	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-72.5	-14.1	168.6	-81.9	-177.9	169.9	-169.8	-3.5	112	D320 V1577 E1578 E1585	D320-R1581 IonicContact OD2-CZ 2.8Å; D320-R1581 IonicContact OD2-NH1 2.58Å; D320-R1581 PolarHBondContact OD2-NH1 2.77Å; D320-R1581 IonicContact OD2-NH2 2.72Å; V1577-R1581 HydrophobicContact CG1-CG 4.29Å; V1577-R1581 WeakPolarHBondContact O-CA 3.49Å; V1577-R1581 VanDerWaalsContact O-CB 3.22Å; V1577-R1581 WeakPolarHBondContact O-CB 3.35Å; V1577-R1581 WeakPolarHBondContact O-CG 3.49Å; V1577-R1581 PolarHBondContact O-N 2.94Å; E1578-R1581 CarbonylContact O-C 3.55Å; R1581-E1585 WeakPolarHBondContact O-CA 3.4Å; R1581-E1585 WeakPolarHBondContact O-CB 3.19Å; R1581-E1585 WeakPolarHBondContact O-CG 3.39Å; R1581-E1585 PolarHBondContact O-N 2.96Å
1582	K	44.5	Very low	46.1	Very low	106 Å²	106	109.4 Å²	109.4	46%	0.461	53%	0.527	S	S	.	.	H	α-helix	trans	-86.9	-32.1	169.5	-78.2	162.8	-171.7	161	0	112.3	E1578 T1579 K1580 T1586	E1578-K1582 WeakPolarHBondContact O-CB 3.44Å; E1578-K1582 WeakPolarHBondContact O-CD 3.33Å; E1578-K1582 VanDerWaalsContact O-CG 3.23Å; E1578-K1582 WeakPolarHBondContact O-CG 3.4Å; E1578-K1582 PolarHBondContact O-N 2.87Å; E1578-K1582 WeakPolarHBondContact OE1-CE 3.47Å; E1578-K1582 IonicContact OE1-NZ 2.61Å; E1578-K1582 PolarHBondContact OE1-NZ 3.29Å; T1579-K1582 WeakPolarHBondContact O-CA 3.42Å; T1579-K1582 WeakPolarHBondContact O-CB 3.12Å; T1579-K1582 PolarHBondContact O-N 3.12Å; K1580-K1582 VanDerWaalsContact C-N 3.25Å; K1580-K1582 PolarHBondContact O-N 3.37Å; K1582-T1586 WeakPolarHBondContact O-CB 3.46Å; K1582-T1586 WeakPolarHBondContact O-CG2 3.22Å; K1582-T1586 PolarHBondContact O-N 3.19Å; K1582-T1586 PolarHBondContact O-OG1 3.02Å
1583	E	47.9	Very low	46.5	Very low	112 Å²	112	109.8 Å²	109.8	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-46.3	163.1	-66	178.4	153.8	0	0	110.6	T1579 K1580 T1586 V1587	T1579-E1583 PolarHBondContact O-N 2.89Å; K1580-E1583 WeakPolarHBondContact CE-OE2 3.12Å; K1580-E1583 IonicContact NZ-OE2 3.11Å; K1580-E1583 PolarHBondContact O-N 3.1Å; E1583-T1586 WeakPolarHBondContact CA-OG1 3.48Å; E1583-T1586 PolarHBondContact O-N 2.95Å; E1583-T1586 PolarHBondContact O-OG1 3.15Å; E1583-V1587 WeakPolarHBondContact O-CG2 3.06Å; E1583-V1587 PolarHBondContact O-N 3.47Å
1584	E	45.6	Very low	47	Very low	129 Å²	129	106.4 Å²	106.4	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-77.3	-23.3	180	-161.1	169.4	-122.5	0	0	112.4	K1580 K1588	K1580-E1584 WeakPolarHBondContact O-CB 3.48Å; K1580-E1584 PolarHBondContact O-N 3.45Å; E1584-K1588 WeakPolarHBondContact O-CA 3.38Å; E1584-K1588 WeakPolarHBondContact O-CB 3.3Å; E1584-K1588 WeakPolarHBondContact O-CG 3.32Å; E1584-K1588 PolarHBondContact O-N 2.85Å
1585	E	50.1	Low	47.4	Very low	90 Å²	90	110.3 Å²	110.3	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-74.9	-30.1	163.4	-93.1	-157.1	130.2	0	0	112.1	R1581 K1588 K1589	R1581-E1585 WeakPolarHBondContact O-CA 3.4Å; R1581-E1585 WeakPolarHBondContact O-CB 3.19Å; R1581-E1585 WeakPolarHBondContact O-CG 3.39Å; R1581-E1585 PolarHBondContact O-N 2.96Å; E1585-K1588 CarbonylContact O-C 3.59Å; E1585-K1589 HydrophobicContact CB-CD 4.49Å; E1585-K1589 WeakPolarHBondContact O-CA 3.17Å; E1585-K1589 WeakPolarHBondContact O-CB 3.13Å; E1585-K1589 WeakPolarHBondContact O-CD 3.39Å; E1585-K1589 WeakPolarHBondContact O-CG 3.22Å; E1585-K1589 PolarHBondContact O-N 2.67Å; E1585-K1589 VanDerWaalsContact OE1-CE 3.28Å; E1585-K1589 WeakPolarHBondContact OE1-CE 3.39Å; E1585-K1589 IonicContact OE1-NZ 2.66Å; E1585-K1589 PolarHBondContact OE1-NZ 2.74Å; E1585-K1589 IonicContact OE2-NZ 2.61Å; E1585-K1589 PolarHBondContact OE2-NZ 3.37Å
1586	T	49.7	Very low	47.6	Very low	82 Å²	82	110.4 Å²	110.4	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-74.2	-42.2	175.6	35.4	0	0	0	0	109.7	K1582 E1583 K1589 E1590	K1582-T1586 WeakPolarHBondContact O-CB 3.46Å; K1582-T1586 WeakPolarHBondContact O-CG2 3.22Å; K1582-T1586 PolarHBondContact O-N 3.19Å; K1582-T1586 PolarHBondContact O-OG1 3.02Å; E1583-T1586 WeakPolarHBondContact CA-OG1 3.48Å; E1583-T1586 PolarHBondContact O-N 2.95Å; E1583-T1586 PolarHBondContact O-OG1 3.15Å; T1586-K1589 PolarHBondContact O-N 3.41Å; T1586-E1590 WeakPolarHBondContact O-CG 3.29Å; T1586-E1590 PolarHBondContact O-N 2.69Å
1587	V	49.5	Very low	48.5	Very low	79 Å²	79	108.1 Å²	108.1	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-44.7	167.7	176.9	0	0	0	0	111.4	E1583 K1589 E1590 E1591	E1583-V1587 WeakPolarHBondContact O-CG2 3.06Å; E1583-V1587 PolarHBondContact O-N 3.47Å; V1587-K1589 VanDerWaalsContact C-N 3.33Å; V1587-K1589 PolarHBondContact O-N 2.76Å; V1587-E1590 PolarHBondContact O-N 3.38Å; V1587-E1591 PolarHBondContact O-N 2.74Å
1588	K	47.6	Very low	48.7	Very low	130 Å²	130	113 Å²	113	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-70.7	-20.2	174.6	-86.2	-159.6	163.9	-155.7	0	114.9	E1584 E1585 E1592	E1584-K1588 WeakPolarHBondContact O-CA 3.38Å; E1584-K1588 WeakPolarHBondContact O-CB 3.3Å; E1584-K1588 WeakPolarHBondContact O-CG 3.32Å; E1584-K1588 PolarHBondContact O-N 2.85Å; E1585-K1588 CarbonylContact O-C 3.59Å; K1588-E1592 WeakPolarHBondContact O-CA 3.44Å; K1588-E1592 WeakPolarHBondContact O-CB 3.18Å; K1588-E1592 VanDerWaalsContact O-CG 3.29Å; K1588-E1592 WeakPolarHBondContact O-CG 3.46Å; K1588-E1592 PolarHBondContact O-N 2.88Å
1589	K	50.9	Low	48.4	Very low	98 Å²	98	110.8 Å²	110.8	43%	0.426	51%	0.514	S	S	.	.	H	α-helix	trans	-84.1	-25.1	171.2	-76.4	162.8	-172.1	166.6	0	111.2	E1585 T1586 V1587 E1593	E1585-K1589 HydrophobicContact CB-CD 4.49Å; E1585-K1589 WeakPolarHBondContact O-CA 3.17Å; E1585-K1589 WeakPolarHBondContact O-CB 3.13Å; E1585-K1589 WeakPolarHBondContact O-CD 3.39Å; E1585-K1589 WeakPolarHBondContact O-CG 3.22Å; E1585-K1589 PolarHBondContact O-N 2.67Å; E1585-K1589 VanDerWaalsContact OE1-CE 3.28Å; E1585-K1589 WeakPolarHBondContact OE1-CE 3.39Å; E1585-K1589 IonicContact OE1-NZ 2.66Å; E1585-K1589 PolarHBondContact OE1-NZ 2.74Å; E1585-K1589 IonicContact OE2-NZ 2.61Å; E1585-K1589 PolarHBondContact OE2-NZ 3.37Å; T1586-K1589 PolarHBondContact O-N 3.41Å; V1587-K1589 VanDerWaalsContact C-N 3.33Å; V1587-K1589 PolarHBondContact O-N 2.76Å; K1589-E1593 WeakPolarHBondContact O-CA 3.46Å; K1589-E1593 WeakPolarHBondContact O-CB 3.38Å; K1589-E1593 PolarHBondContact O-N 2.6Å
1590	E	52.3	Low	48.6	Very low	137 Å²	137	112 Å²	112	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-73.9	-42.6	165.8	-71.8	-178.9	175.5	0	0	111	T1586 V1587 E1593 V1594	T1586-E1590 WeakPolarHBondContact O-CG 3.29Å; T1586-E1590 PolarHBondContact O-N 2.69Å; V1587-E1590 PolarHBondContact O-N 3.38Å; E1590-E1593 PolarHBondContact O-N 3.31Å; E1590-V1594 WeakPolarHBondContact O-CB 3.4Å; E1590-V1594 VanDerWaalsContact O-CG2 3.31Å; E1590-V1594 WeakPolarHBondContact O-CG2 3.26Å; E1590-V1594 PolarHBondContact O-N 2.77Å
1591	E	47.2	Very low	49.2	Very low	120 Å²	120	112.5 Å²	112.5	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-67	-42.4	171.4	-73.3	-170.1	137.7	0	0	112.2	V1587 E1593 V1594 E1595	V1587-E1591 PolarHBondContact O-N 2.74Å; E1591-E1593 VanDerWaalsContact C-N 3.33Å; E1591-E1593 PolarHBondContact O-N 3.45Å; E1591-V1594 CarbonylContact O-C 3.59Å; E1591-V1594 PolarHBondContact O-N 3.03Å; E1591-E1595 WeakPolarHBondContact O-CA 3.01Å; E1591-E1595 WeakPolarHBondContact O-CB 3.18Å; E1591-E1595 PolarHBondContact O-N 2.93Å
1592	E	51.4	Low	49.2	Very low	118 Å²	118	113 Å²	113	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-71.3	-21.2	171.3	-79.2	-166.6	129.2	0	0	112.5	K1588 R1596	K1588-E1592 WeakPolarHBondContact O-CA 3.44Å; K1588-E1592 WeakPolarHBondContact O-CB 3.18Å; K1588-E1592 VanDerWaalsContact O-CG 3.29Å; K1588-E1592 WeakPolarHBondContact O-CG 3.46Å; K1588-E1592 PolarHBondContact O-N 2.88Å; E1592-R1596 WeakPolarHBondContact O-CA 3.26Å; E1592-R1596 WeakPolarHBondContact O-CB 3.22Å; E1592-R1596 WeakPolarHBondContact O-CG 3.37Å; E1592-R1596 PolarHBondContact O-N 2.73Å
1593	E	53.1	Low	49	Very low	112 Å²	112	113.8 Å²	113.8	52%	0.523	53%	0.529	S	S	.	.	H	α-helix	trans	-79.5	-34.3	170.7	-170.6	179.5	141	0	0	110.7	K1589 E1590 E1591 K1597	K1589-E1593 WeakPolarHBondContact O-CA 3.46Å; K1589-E1593 WeakPolarHBondContact O-CB 3.38Å; K1589-E1593 PolarHBondContact O-N 2.6Å; E1590-E1593 PolarHBondContact O-N 3.31Å; E1591-E1593 VanDerWaalsContact C-N 3.33Å; E1591-E1593 PolarHBondContact O-N 3.45Å; E1593-K1597 HydrophobicContact CG-CD 4.43Å; E1593-K1597 WeakPolarHBondContact O-CB 3.38Å; E1593-K1597 WeakPolarHBondContact O-CD 3.34Å; E1593-K1597 WeakPolarHBondContact O-CG 3.2Å; E1593-K1597 PolarHBondContact O-N 2.71Å; E1593-K1597 WeakPolarHBondContact OE1-CE 3.47Å; E1593-K1597 IonicContact OE1-NZ 2.61Å; E1593-K1597 PolarHBondContact OE1-NZ 2.61Å
1594	V	51.4	Low	48.9	Very low	86 Å²	86	111.4 Å²	111.4	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-69.6	-41.8	170.1	168.9	0	0	0	0	111.2	E1590 E1591 K1597 R1598	E1590-V1594 WeakPolarHBondContact O-CB 3.4Å; E1590-V1594 VanDerWaalsContact O-CG2 3.31Å; E1590-V1594 WeakPolarHBondContact O-CG2 3.26Å; E1590-V1594 PolarHBondContact O-N 2.77Å; E1591-V1594 CarbonylContact O-C 3.59Å; E1591-V1594 PolarHBondContact O-N 3.03Å; V1594-K1597 PolarHBondContact O-N 3.3Å; V1594-R1598 PolarHBondContact O-N 3.1Å
1595	E	49.5	Very low	49.1	Very low	115 Å²	115	112 Å²	112	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-81.6	-22.6	179.5	-171.2	152.7	-141	0	0	112.1	E1591 N1599	E1591-E1595 WeakPolarHBondContact O-CA 3.01Å; E1591-E1595 WeakPolarHBondContact O-CB 3.18Å; E1591-E1595 PolarHBondContact O-N 2.93Å; E1595-N1599 WeakPolarHBondContact O-CA 3.45Å; E1595-N1599 WeakPolarHBondContact O-CB 3.2Å; E1595-N1599 PolarHBondContact O-N 3.2Å; E1595-N1599 PolarHBondContact O-ND2 3.5Å
1596	R	53.6	Low	48.6	Very low	154 Å²	154	110.3 Å²	110.3	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-74.8	-32.8	160	-80.4	-175.1	62.6	167.9	-2.9	112.6	E1592 N1599 E1600	E1592-R1596 WeakPolarHBondContact O-CA 3.26Å; E1592-R1596 WeakPolarHBondContact O-CB 3.22Å; E1592-R1596 WeakPolarHBondContact O-CG 3.37Å; E1592-R1596 PolarHBondContact O-N 2.73Å; R1596-N1599 CarbonylContact O-C 3.48Å; R1596-N1599 PolarHBondContact O-N 3.15Å; R1596-E1600 IonicContact CZ-OE1 3.38Å; R1596-E1600 VanDerWaalsContact CZ-OE1 3.26Å; R1596-E1600 IonicContact NE-OE1 2.68Å; R1596-E1600 PolarHBondContact NE-OE1 3.49Å; R1596-E1600 IonicContact NH2-OE1 3.38Å; R1596-E1600 PolarHBondContact NH2-OE1 3.25Å; R1596-E1600 WeakPolarHBondContact O-CA 3.23Å; R1596-E1600 WeakPolarHBondContact O-CB 3.44Å; R1596-E1600 WeakPolarHBondContact O-CG 3.48Å; R1596-E1600 PolarHBondContact O-N 3.39Å
1597	K	51.9	Low	47.9	Very low	112 Å²	112	110.3 Å²	110.3	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-44	170.5	-78.2	162.2	-169.9	162.9	0	110.3	E1593 V1594 E1600 E1601	E1593-K1597 HydrophobicContact CG-CD 4.43Å; E1593-K1597 WeakPolarHBondContact O-CB 3.38Å; E1593-K1597 WeakPolarHBondContact O-CD 3.34Å; E1593-K1597 WeakPolarHBondContact O-CG 3.2Å; E1593-K1597 PolarHBondContact O-N 2.71Å; E1593-K1597 WeakPolarHBondContact OE1-CE 3.47Å; E1593-K1597 IonicContact OE1-NZ 2.61Å; E1593-K1597 PolarHBondContact OE1-NZ 2.61Å; V1594-K1597 PolarHBondContact O-N 3.3Å; K1597-E1600 PolarHBondContact O-N 3.18Å; K1597-E1601 PolarHBondContact O-N 3.46Å
1598	R	46.8	Very low	47.5	Very low	167 Å²	167	116 Å²	116	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-60.8	-47.4	168.7	-76.9	-177.6	167.3	170.8	-3.4	112.6	V1594 E1600 E1601 E1602	V1594-R1598 PolarHBondContact O-N 3.1Å; R1598-E1600 PolarHBondContact O-N 3.42Å; R1598-E1601 PolarHBondContact O-N 2.78Å; R1598-E1602 WeakPolarHBondContact O-CA 3.23Å; R1598-E1602 WeakPolarHBondContact O-CB 3.5Å; R1598-E1602 PolarHBondContact O-N 2.91Å
1599	N	42.9	Very low	47.2	Very low	56 Å²	56	111.8 Å²	111.8	30%	0.299	54%	0.536	S	S	.	.	H	α-helix	trans	-73.1	-9.2	177.3	-86.7	-97.2	0	0	0	113.8	E1595 R1596 K1603	E1595-N1599 WeakPolarHBondContact O-CA 3.45Å; E1595-N1599 WeakPolarHBondContact O-CB 3.2Å; E1595-N1599 PolarHBondContact O-N 3.2Å; E1595-N1599 PolarHBondContact O-ND2 3.5Å; R1596-N1599 CarbonylContact O-C 3.48Å; R1596-N1599 PolarHBondContact O-N 3.15Å; N1599-K1603 WeakPolarHBondContact O-CB 3.36Å; N1599-K1603 WeakPolarHBondContact O-CD 3.47Å; N1599-K1603 WeakPolarHBondContact O-CG 3.32Å; N1599-K1603 PolarHBondContact O-N 2.82Å
1600	E	53.6	Low	46.6	Very low	101 Å²	101	112.3 Å²	112.3	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-99.9	-25.2	173.2	-74.2	172.7	-159	0	0	111	R1596 K1597 R1598 A1604	R1596-E1600 IonicContact CZ-OE1 3.38Å; R1596-E1600 VanDerWaalsContact CZ-OE1 3.26Å; R1596-E1600 IonicContact NE-OE1 2.68Å; R1596-E1600 PolarHBondContact NE-OE1 3.49Å; R1596-E1600 IonicContact NH2-OE1 3.38Å; R1596-E1600 PolarHBondContact NH2-OE1 3.25Å; R1596-E1600 WeakPolarHBondContact O-CA 3.23Å; R1596-E1600 WeakPolarHBondContact O-CB 3.44Å; R1596-E1600 WeakPolarHBondContact O-CG 3.48Å; R1596-E1600 PolarHBondContact O-N 3.39Å; K1597-E1600 PolarHBondContact O-N 3.18Å; R1598-E1600 PolarHBondContact O-N 3.42Å; E1600-A1604 VanDerWaalsContact O-CB 3.28Å; E1600-A1604 WeakPolarHBondContact O-CB 3.48Å; E1600-A1604 PolarHBondContact O-N 2.65Å
1601	E	47.7	Very low	45.8	Very low	145 Å²	145	113.5 Å²	113.5	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-67.8	-50.7	157.5	-76	-174.9	124.8	0	0	110.4	K1597 R1598 K1603 A1604 E1605	K1597-E1601 PolarHBondContact O-N 3.46Å; R1598-E1601 PolarHBondContact O-N 2.78Å; E1601-K1603 VanDerWaalsContact C-N 3.27Å; E1601-K1603 PolarHBondContact O-N 3.25Å; E1601-A1604 CarbonylContact O-C 3.58Å; E1601-A1604 WeakPolarHBondContact O-CA 3.47Å; E1601-A1604 WeakPolarHBondContact O-CB 3.18Å; E1601-A1604 PolarHBondContact O-N 3.42Å; E1601-E1605 PolarHBondContact O-N 2.88Å
1602	E	46.5	Very low	45.5	Very low	125 Å²	125	112.1 Å²	112.1	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-71.1	-18.4	178.6	-164.5	170.1	-140.6	0	0	112.4	R1598 S1606	R1598-E1602 WeakPolarHBondContact O-CA 3.23Å; R1598-E1602 WeakPolarHBondContact O-CB 3.5Å; R1598-E1602 PolarHBondContact O-N 2.91Å; E1602-S1606 WeakPolarHBondContact O-CA 3.28Å; E1602-S1606 WeakPolarHBondContact O-CB 3.39Å; E1602-S1606 PolarHBondContact O-N 2.81Å; E1602-S1606 PolarHBondContact O-OG 3.45Å
1603	K	39.1	Very low	45	Very low	121 Å²	121	110.1 Å²	110.1	53%	0.526	53%	0.533	S	S	.	.	H	α-helix	trans	-91.9	-14.5	162.1	-72	171.4	-177	173.4	0	114.4	N1599 E1601 S1606 T1607	N1599-K1603 WeakPolarHBondContact O-CB 3.36Å; N1599-K1603 WeakPolarHBondContact O-CD 3.47Å; N1599-K1603 WeakPolarHBondContact O-CG 3.32Å; N1599-K1603 PolarHBondContact O-N 2.82Å; E1601-K1603 VanDerWaalsContact C-N 3.27Å; E1601-K1603 PolarHBondContact O-N 3.25Å; K1603-S1606 WeakPolarHBondContact CA-OG 3.08Å; K1603-T1607 WeakPolarHBondContact O-CB 3.46Å; K1603-T1607 WeakPolarHBondContact O-CG2 3.43Å; K1603-T1607 PolarHBondContact O-N 2.87Å; K1603-T1607 PolarHBondContact O-OG1 2.84Å
1604	A	46.1	Very low	44.3	Very low	63 Å²	63	107.2 Å²	107.2	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-70.5	-39.4	161.3	0	0	0	0	0	110	E1600 E1601	E1600-A1604 VanDerWaalsContact O-CB 3.28Å; E1600-A1604 WeakPolarHBondContact O-CB 3.48Å; E1600-A1604 PolarHBondContact O-N 2.65Å; E1601-A1604 CarbonylContact O-C 3.58Å; E1601-A1604 WeakPolarHBondContact O-CA 3.47Å; E1601-A1604 WeakPolarHBondContact O-CB 3.18Å; E1601-A1604 PolarHBondContact O-N 3.42Å
1605	E	49.9	Very low	43.6	Very low	141 Å²	141	110.2 Å²	110.2	66%	0.659	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-53.3	169.7	-159.6	86.2	-105.6	0	0	110.6	E1601 T1607 R1608 G1609	E1601-E1605 PolarHBondContact O-N 2.88Å; E1605-T1607 PolarHBondContact O-N 2.76Å; E1605-R1608 WeakPolarHBondContact O-CA 3.16Å; E1605-R1608 WeakPolarHBondContact O-CB 3.12Å; E1605-R1608 PolarHBondContact O-N 3.44Å; E1605-G1609 PolarHBondContact O-N 3.03Å; E1605-G1609 VanDerWaalsContact O-N 3.09Å
1606	S	39.7	Very low	43.2	Very low	54 Å²	54	112.4 Å²	112.4	38%	0.378	53%	0.534	S	S	.	.	H	α-helix	trans	-78.1	-16.8	-176	88.3	0	0	0	0	114.6	E1602 K1603 R1608 G1609 E1610	E1602-S1606 WeakPolarHBondContact O-CA 3.28Å; E1602-S1606 WeakPolarHBondContact O-CB 3.39Å; E1602-S1606 PolarHBondContact O-N 2.81Å; E1602-S1606 PolarHBondContact O-OG 3.45Å; K1603-S1606 WeakPolarHBondContact CA-OG 3.08Å; S1606-R1608 VanDerWaalsContact C-N 3.26Å; S1606-G1609 CarbonylContact O-C 3.57Å; S1606-G1609 PolarHBondContact O-N 2.82Å; S1606-E1610 WeakPolarHBondContact O-CA 3.12Å; S1606-E1610 WeakPolarHBondContact O-CB 3.49Å; S1606-E1610 PolarHBondContact O-N 3.08Å
1607	T	35.7	Very low	42.3	Very low	83 Å²	83	110.2 Å²	110.2	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-75.7	-18	164.4	54.5	0	0	0	0	112.2	K1603 E1605 K1611	K1603-T1607 WeakPolarHBondContact O-CB 3.46Å; K1603-T1607 WeakPolarHBondContact O-CG2 3.43Å; K1603-T1607 PolarHBondContact O-N 2.87Å; K1603-T1607 PolarHBondContact O-OG1 2.84Å; E1605-T1607 PolarHBondContact O-N 2.76Å; T1607-K1611 PolarHBondContact O-N 3.15Å
1608	R	41.7	Very low	41.7	Very low	199 Å²	199	111.1 Å²	111.1	75%	0.751	54%	0.535	S	S	*	.	H	α-helix	trans	-74.5	-38.2	165.3	-159.4	175.5	-177.2	158	-1.2	111.1	E1605 S1606	E1605-R1608 WeakPolarHBondContact O-CA 3.16Å; E1605-R1608 WeakPolarHBondContact O-CB 3.12Å; E1605-R1608 PolarHBondContact O-N 3.44Å; S1606-R1608 VanDerWaalsContact C-N 3.26Å
1609	G	41	Very low	41.5	Very low	40 Å²	40	108.9 Å²	108.9	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-70.7	-42.1	171.8	0	0	0	0	0	114.3	E1605 S1606 K1611 V1612 E1613	E1605-G1609 PolarHBondContact O-N 3.03Å; E1605-G1609 VanDerWaalsContact O-N 3.09Å; S1606-G1609 CarbonylContact O-C 3.57Å; S1606-G1609 PolarHBondContact O-N 2.82Å; G1609-K1611 PolarHBondContact O-N 3.39Å; G1609-V1612 WeakPolarHBondContact O-CA 3.21Å; G1609-V1612 VanDerWaalsContact O-CB 3.3Å; G1609-V1612 WeakPolarHBondContact O-CB 3.12Å; G1609-V1612 PolarHBondContact O-N 2.95Å; G1609-E1613 PolarHBondContact O-N 2.81Å
1610	E	37.9	Very low	41.4	Very low	110 Å²	110	110.7 Å²	110.7	51%	0.514	54%	0.538	S	S	.	.	H	α-helix	trans	-70.7	-16.6	-179.6	-171.7	170.2	-132.9	0	0	111.9	S1606 V1612 E1613 S1614	S1606-E1610 WeakPolarHBondContact O-CA 3.12Å; S1606-E1610 WeakPolarHBondContact O-CB 3.49Å; S1606-E1610 PolarHBondContact O-N 3.08Å; E1610-V1612 PolarHBondContact O-N 3.25Å; E1610-E1613 PolarHBondContact O-N 2.89Å; E1610-S1614 WeakPolarHBondContact O-CB 3.17Å; E1610-S1614 PolarHBondContact O-N 2.78Å; E1610-S1614 PolarHBondContact O-OG 3.02Å
1611	K	35.1	Very low	40.5	Very low	162 Å²	162	109.5 Å²	109.5	70%	0.704	54%	0.538	S	S	*	.	H	α-helix	trans	-74.1	-10.6	165.8	-162.1	163.7	-174.9	171.9	0	113.8	T1607 G1609	T1607-K1611 PolarHBondContact O-N 3.15Å; G1609-K1611 PolarHBondContact O-N 3.39Å
1612	V	42	Very low	40.5	Very low	91 Å²	91	106.6 Å²	106.6	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-97.8	-42.8	166.8	-174	0	0	0	0	109.9	G1609 E1610 S1614 K1615 R1616	G1609-V1612 WeakPolarHBondContact O-CA 3.21Å; G1609-V1612 VanDerWaalsContact O-CB 3.3Å; G1609-V1612 WeakPolarHBondContact O-CB 3.12Å; G1609-V1612 PolarHBondContact O-N 2.95Å; E1610-V1612 PolarHBondContact O-N 3.25Å; V1612-S1614 PolarHBondContact O-N 3.1Å; V1612-K1615 WeakPolarHBondContact O-CB 2.86Å; V1612-K1615 PolarHBondContact O-N 3.3Å; V1612-R1616 PolarHBondContact O-N 3.15Å
1613	E	39.9	Very low	40.4	Very low	75 Å²	75	106.6 Å²	106.6	35%	0.35	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-30.4	-179.3	-156.9	58.1	-155.7	0	0	113.1	G1609 E1610 K1615 R1616 K1617	G1609-E1613 PolarHBondContact O-N 2.81Å; E1610-E1613 PolarHBondContact O-N 2.89Å; E1613-K1615 VanDerWaalsContact C-N 3.31Å; E1613-K1615 PolarHBondContact O-N 3.4Å; E1613-R1616 WeakPolarHBondContact O-CB 3.34Å; E1613-R1616 PolarHBondContact O-N 3.43Å; E1613-R1616 WeakPolarHBondContact OE2-CD 3.1Å; E1613-R1616 IonicContact OE2-NH1 2.6Å; E1613-R1616 PolarHBondContact OE2-NH1 3.09Å; E1613-K1617 WeakPolarHBondContact O-CG 3.34Å; E1613-K1617 PolarHBondContact O-N 2.82Å
1614	S	38	Very low	40.4	Very low	52 Å²	52	105.9 Å²	105.9	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-31.1	172	52.8	0	0	0	0	112.6	E1610 V1612 K1617 E1618	E1610-S1614 WeakPolarHBondContact O-CB 3.17Å; E1610-S1614 PolarHBondContact O-N 2.78Å; E1610-S1614 PolarHBondContact O-OG 3.02Å; V1612-S1614 PolarHBondContact O-N 3.1Å; S1614-K1617 PolarHBondContact O-N 2.89Å; S1614-E1618 WeakPolarHBondContact O-CB 3.41Å; S1614-E1618 PolarHBondContact O-N 3.45Å
1615	K	37.4	Very low	40.3	Very low	149 Å²	149	109.8 Å²	109.8	65%	0.648	53%	0.533	S	S	*	.	H	α-helix	trans	-70	-38.6	171.1	-75.2	-168.5	167.1	-165.2	0	112.7	V1612 E1613 K1617 E1619	V1612-K1615 WeakPolarHBondContact O-CB 2.86Å; V1612-K1615 PolarHBondContact O-N 3.3Å; E1613-K1615 VanDerWaalsContact C-N 3.31Å; E1613-K1615 PolarHBondContact O-N 3.4Å; K1615-K1617 VanDerWaalsContact C-N 3.33Å; K1615-E1619 WeakPolarHBondContact O-CB 3.21Å; K1615-E1619 PolarHBondContact O-N 3.01Å
1616	R	41.1	Very low	40.1	Very low	160 Å²	160	109.8 Å²	109.8	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-62.1	-42.5	171.6	-78.1	175.8	163	176.4	-6.1	111.2	V1612 E1613 E1619 E1620	V1612-R1616 PolarHBondContact O-N 3.15Å; E1613-R1616 WeakPolarHBondContact O-CB 3.34Å; E1613-R1616 PolarHBondContact O-N 3.43Å; E1613-R1616 WeakPolarHBondContact OE2-CD 3.1Å; E1613-R1616 IonicContact OE2-NH1 2.6Å; E1613-R1616 PolarHBondContact OE2-NH1 3.09Å; R1616-E1619 PolarHBondContact O-N 2.81Å; R1616-E1620 WeakPolarHBondContact O-CB 3.35Å; R1616-E1620 PolarHBondContact O-N 2.8Å
1617	K	33.9	Very low	40.3	Very low	108 Å²	108	111.8 Å²	111.8	47%	0.47	54%	0.536	S	S	.	.	H	α-helix	trans	-72	-36.1	178.5	-72.7	175	-178.4	172.3	0	113.3	E1613 S1614 K1615 E1620 T1621	E1613-K1617 WeakPolarHBondContact O-CG 3.34Å; E1613-K1617 PolarHBondContact O-N 2.82Å; S1614-K1617 PolarHBondContact O-N 2.89Å; K1615-K1617 VanDerWaalsContact C-N 3.33Å; K1617-E1620 PolarHBondContact O-N 2.87Å; K1617-T1621 WeakPolarHBondContact O-CB 3.2Å; K1617-T1621 WeakPolarHBondContact O-CG2 3.48Å; K1617-T1621 PolarHBondContact O-N 2.74Å; K1617-T1621 PolarHBondContact O-OG1 2.89Å
1618	E	39.3	Very low	40.8	Very low	132 Å²	132	111.3 Å²	111.3	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-59.2	-49.2	169.1	-81.3	-173.4	136.2	0	0	110.3	S1614 E1620 T1621 V1622	S1614-E1618 WeakPolarHBondContact O-CB 3.41Å; S1614-E1618 PolarHBondContact O-N 3.45Å; E1618-E1620 VanDerWaalsContact C-N 3.34Å; E1618-E1620 PolarHBondContact O-N 2.61Å; E1618-T1621 WeakPolarHBondContact CA-OG1 3.48Å; E1618-T1621 PolarHBondContact O-N 2.78Å; E1618-T1621 PolarHBondContact O-OG1 3.16Å; E1618-V1622 WeakPolarHBondContact O-CG2 3.47Å; E1618-V1622 PolarHBondContact O-N 2.87Å
1619	E	43.8	Very low	40.9	Very low	120 Å²	120	105.9 Å²	105.9	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-65.2	-33.7	178.1	-166.3	174.7	-137.5	0	0	113	K1615 R1616 K1623	K1615-E1619 WeakPolarHBondContact O-CB 3.21Å; K1615-E1619 PolarHBondContact O-N 3.01Å; R1616-E1619 PolarHBondContact O-N 2.81Å; E1619-K1623 WeakPolarHBondContact O-CB 3.37Å; E1619-K1623 WeakPolarHBondContact O-CG 3.16Å; E1619-K1623 PolarHBondContact O-N 2.88Å
1620	E	41	Very low	41.3	Very low	93 Å²	93	111.6 Å²	111.6	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-70.8	-38.4	172.9	-158.6	-163.9	175.9	0	0	112.1	R1616 K1617 E1618 K1623 K1624	R1616-E1620 WeakPolarHBondContact O-CB 3.35Å; R1616-E1620 PolarHBondContact O-N 2.8Å; K1617-E1620 PolarHBondContact O-N 2.87Å; E1618-E1620 VanDerWaalsContact C-N 3.34Å; E1618-E1620 PolarHBondContact O-N 2.61Å; E1620-K1623 PolarHBondContact O-N 3.34Å; E1620-K1624 HydrophobicContact CG-CD 4.45Å; E1620-K1624 WeakPolarHBondContact O-CB 3.33Å; E1620-K1624 WeakPolarHBondContact O-CG 3.37Å; E1620-K1624 PolarHBondContact O-N 3.08Å; E1620-K1624 VanDerWaalsContact OE1-CE 3.24Å; E1620-K1624 WeakPolarHBondContact OE1-CE 3.11Å; E1620-K1624 IonicContact OE1-NZ 3.59Å; E1620-K1624 PolarHBondContact OE1-NZ 3.33Å; E1620-K1624 IonicContact OE2-NZ 3.45Å
1621	T	34.8	Very low	41.7	Very low	77 Å²	77	111.6 Å²	111.6	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-40.4	174.2	51.4	0	0	0	0	112.1	K1617 E1618 K1623 K1624 E1625	K1617-T1621 WeakPolarHBondContact O-CB 3.2Å; K1617-T1621 WeakPolarHBondContact O-CG2 3.48Å; K1617-T1621 PolarHBondContact O-N 2.74Å; K1617-T1621 PolarHBondContact O-OG1 2.89Å; E1618-T1621 WeakPolarHBondContact CA-OG1 3.48Å; E1618-T1621 PolarHBondContact O-N 2.78Å; E1618-T1621 PolarHBondContact O-OG1 3.16Å; T1621-K1623 VanDerWaalsContact C-N 3.35Å; T1621-K1623 PolarHBondContact O-N 2.89Å; T1621-K1624 CarbonylContact O-C 3.52Å; T1621-K1624 PolarHBondContact O-N 2.64Å; T1621-E1625 PolarHBondContact O-N 3.08Å
1622	V	46	Very low	42.1	Very low	84 Å²	84	111.5 Å²	111.5	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-40.6	174.3	171.4	0	0	0	0	110.7	E1618 E1625 E1626	E1618-V1622 WeakPolarHBondContact O-CG2 3.47Å; E1618-V1622 PolarHBondContact O-N 2.87Å; V1622-E1625 PolarHBondContact O-N 3.16Å; V1622-E1626 PolarHBondContact O-N 2.66Å
1623	K	44.6	Very low	42.1	Very low	124 Å²	124	112.5 Å²	112.5	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-38.9	172.5	-78.7	170.9	-179.1	161.5	0	112.6	E1619 E1620 T1621 E1627	E1619-K1623 WeakPolarHBondContact O-CB 3.37Å; E1619-K1623 WeakPolarHBondContact O-CG 3.16Å; E1619-K1623 PolarHBondContact O-N 2.88Å; E1620-K1623 PolarHBondContact O-N 3.34Å; T1621-K1623 VanDerWaalsContact C-N 3.35Å; T1621-K1623 PolarHBondContact O-N 2.89Å; K1623-E1627 VanDerWaalsContact O-CB 3.22Å; K1623-E1627 WeakPolarHBondContact O-CB 3.12Å; K1623-E1627 PolarHBondContact O-N 3.3Å
1624	K	39.2	Very low	42.6	Very low	106 Å²	106	113.8 Å²	113.8	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-70.1	-33.9	175.2	-75.9	171.4	-177.3	169.3	0	112.6	E1620 T1621 E1627 V1628	E1620-K1624 HydrophobicContact CG-CD 4.45Å; E1620-K1624 WeakPolarHBondContact O-CB 3.33Å; E1620-K1624 WeakPolarHBondContact O-CG 3.37Å; E1620-K1624 PolarHBondContact O-N 3.08Å; E1620-K1624 VanDerWaalsContact OE1-CE 3.24Å; E1620-K1624 WeakPolarHBondContact OE1-CE 3.11Å; E1620-K1624 IonicContact OE1-NZ 3.59Å; E1620-K1624 PolarHBondContact OE1-NZ 3.33Å; E1620-K1624 IonicContact OE2-NZ 3.45Å; T1621-K1624 CarbonylContact O-C 3.52Å; T1621-K1624 PolarHBondContact O-N 2.64Å; K1624-E1627 PolarHBondContact O-N 3.31Å; K1624-V1628 WeakPolarHBondContact O-CB 3.28Å; K1624-V1628 VanDerWaalsContact O-CG2 3.23Å; K1624-V1628 WeakPolarHBondContact O-CG2 3.38Å; K1624-V1628 PolarHBondContact O-N 2.97Å
1625	E	45	Very low	42.7	Very low	146 Å²	146	117.8 Å²	117.8	68%	0.682	54%	0.535	S	S	*	.	H	α-helix	trans	-72.1	-40.6	172.6	-73.2	-165.6	151.3	0	0	112	T1621 V1622 E1627 V1628 E1629	T1621-E1625 PolarHBondContact O-N 3.08Å; V1622-E1625 PolarHBondContact O-N 3.16Å; E1625-E1627 VanDerWaalsContact C-N 3.34Å; E1625-E1627 PolarHBondContact O-N 3.4Å; E1625-V1628 PolarHBondContact O-N 3.43Å; E1625-E1629 WeakPolarHBondContact O-CB 3.49Å; E1625-E1629 PolarHBondContact O-N 2.88Å
1626	E	45.9	Very low	43	Very low	140 Å²	140	117.6 Å²	117.6	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-64	-36.5	169.7	-81.5	-156.4	126.2	0	0	112.3	V1622 R1630	V1622-E1626 PolarHBondContact O-N 2.66Å; E1626-R1630 VanDerWaalsContact O-CB 3.28Å; E1626-R1630 WeakPolarHBondContact O-CB 3.5Å; E1626-R1630 PolarHBondContact O-N 3.39Å
1627	E	43.3	Very low	43.2	Very low	97 Å²	97	117 Å²	117	45%	0.453	54%	0.538	S	S	.	.	H	α-helix	trans	-70.4	-37.9	176.2	-166.8	-174.3	167.3	0	0	111.8	K1623 K1624 E1625 K1631	K1623-E1627 VanDerWaalsContact O-CB 3.22Å; K1623-E1627 WeakPolarHBondContact O-CB 3.12Å; K1623-E1627 PolarHBondContact O-N 3.3Å; K1624-E1627 PolarHBondContact O-N 3.31Å; E1625-E1627 VanDerWaalsContact C-N 3.34Å; E1625-E1627 PolarHBondContact O-N 3.4Å; E1627-K1631 HydrophobicContact CG-CD 4.33Å; E1627-K1631 VanDerWaalsContact O-CB 3.31Å; E1627-K1631 WeakPolarHBondContact O-CB 3.46Å; E1627-K1631 VanDerWaalsContact O-CG 3.25Å; E1627-K1631 WeakPolarHBondContact O-CG 3.42Å; E1627-K1631 PolarHBondContact O-N 3.37Å; E1627-K1631 WeakPolarHBondContact OE1-CE 3.16Å; E1627-K1631 IonicContact OE1-NZ 2.62Å; E1627-K1631 PolarHBondContact OE1-NZ 2.64Å
1628	V	45	Very low	43.4	Very low	72 Å²	72	114.3 Å²	114.3	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-71.5	-38	173.8	167.2	0	0	0	0	111.5	K1624 E1625 K1631 R1632	K1624-V1628 WeakPolarHBondContact O-CB 3.28Å; K1624-V1628 VanDerWaalsContact O-CG2 3.23Å; K1624-V1628 WeakPolarHBondContact O-CG2 3.38Å; K1624-V1628 PolarHBondContact O-N 2.97Å; E1625-V1628 PolarHBondContact O-N 3.43Å; V1628-K1631 PolarHBondContact O-N 2.66Å; V1628-R1632 WeakPolarHBondContact O-CB 3.42Å; V1628-R1632 WeakPolarHBondContact O-CG 3.49Å; V1628-R1632 PolarHBondContact O-N 3.23Å
1629	E	45.7	Very low	43.6	Very low	86 Å²	86	114.9 Å²	114.9	40%	0.402	54%	0.538	S	S	.	.	H	α-helix	trans	-71	-34.7	175.8	-175.2	64.1	-172.9	0	0	111.5	E1625 K1633	E1625-E1629 WeakPolarHBondContact O-CB 3.49Å; E1625-E1629 PolarHBondContact O-N 2.88Å; E1629-K1633 HydrophobicContact CG-CD 4.39Å; E1629-K1633 WeakPolarHBondContact O-CB 3.46Å; E1629-K1633 WeakPolarHBondContact O-CG 3.24Å; E1629-K1633 PolarHBondContact O-N 2.74Å; E1629-K1633 VanDerWaalsContact O-N 3.07Å; E1629-K1633 VanDerWaalsContact OE1-CE 3.23Å; E1629-K1633 WeakPolarHBondContact OE1-CE 3.37Å; E1629-K1633 IonicContact OE1-NZ 2.59Å; E1629-K1633 PolarHBondContact OE1-NZ 3.19Å
1630	R	49.1	Very low	43.4	Very low	160 Å²	160	113.1 Å²	113.1	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-60.8	-56.6	164.2	-97.2	-163.7	62.7	177.5	-2.6	110.6	E1626 R1632 K1633 E1634	E1626-R1630 VanDerWaalsContact O-CB 3.28Å; E1626-R1630 WeakPolarHBondContact O-CB 3.5Å; E1626-R1630 PolarHBondContact O-N 3.39Å; R1630-R1632 PolarHBondContact O-N 3.34Å; R1630-K1633 CarbonylContact O-C 3.56Å; R1630-K1633 WeakPolarHBondContact O-CA 3.12Å; R1630-K1633 PolarHBondContact O-N 2.82Å; R1630-E1634 IonicContact CZ-OE2 3.57Å; R1630-E1634 IonicContact NE-OE2 3.5Å; R1630-E1634 PolarHBondContact NE-OE2 3.04Å; R1630-E1634 IonicContact NH2-OE1 2.87Å; R1630-E1634 PolarHBondContact NH2-OE1 3.46Å; R1630-E1634 IonicContact NH2-OE2 2.73Å; R1630-E1634 PolarHBondContact NH2-OE2 2.94Å; R1630-E1634 WeakPolarHBondContact O-CB 3.3Å; R1630-E1634 PolarHBondContact O-N 3.37Å
1631	K	44.7	Very low	43.2	Very low	109 Å²	109	112.4 Å²	112.4	47%	0.474	54%	0.542	S	S	.	.	H	α-helix	trans	-57.3	-36.7	-177.6	-78.1	172.6	-174.6	171.3	0	112.1	E1627 V1628 E1634 E1635	E1627-K1631 HydrophobicContact CG-CD 4.33Å; E1627-K1631 VanDerWaalsContact O-CB 3.31Å; E1627-K1631 WeakPolarHBondContact O-CB 3.46Å; E1627-K1631 VanDerWaalsContact O-CG 3.25Å; E1627-K1631 WeakPolarHBondContact O-CG 3.42Å; E1627-K1631 PolarHBondContact O-N 3.37Å; E1627-K1631 WeakPolarHBondContact OE1-CE 3.16Å; E1627-K1631 IonicContact OE1-NZ 2.62Å; E1627-K1631 PolarHBondContact OE1-NZ 2.64Å; V1628-K1631 PolarHBondContact O-N 2.66Å; K1631-E1634 CarbonylContact O-C 3.55Å; K1631-E1634 PolarHBondContact O-N 3.5Å; K1631-E1635 VanDerWaalsContact O-CB 3.3Å; K1631-E1635 WeakPolarHBondContact O-CB 3.03Å; K1631-E1635 WeakPolarHBondContact O-CG 3.5Å; K1631-E1635 PolarHBondContact O-N 2.88Å
1632	R	44.6	Very low	43.3	Very low	161 Å²	161	117.4 Å²	117.4	61%	0.608	55%	0.552	S	S	*	*	H	α-helix	trans	-65.3	-45.1	171.1	-77.4	176.7	171.8	169.5	-0.4	113.1	V1628 R1630 E1634 E1635 E1636	V1628-R1632 WeakPolarHBondContact O-CB 3.42Å; V1628-R1632 WeakPolarHBondContact O-CG 3.49Å; V1628-R1632 PolarHBondContact O-N 3.23Å; R1630-R1632 PolarHBondContact O-N 3.34Å; R1632-E1634 PolarHBondContact O-N 2.91Å; R1632-E1635 PolarHBondContact O-N 2.69Å; R1632-E1636 VanDerWaalsContact O-CB 3.24Å; R1632-E1636 WeakPolarHBondContact O-CB 3.18Å; R1632-E1636 PolarHBondContact O-N 3.46Å
1633	K	42.6	Very low	42.9	Very low	111 Å²	111	116 Å²	116	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-71.2	-17.5	175	-77.2	164.1	172	149.3	0	113.8	E1629 R1630 K1637	E1629-K1633 HydrophobicContact CG-CD 4.39Å; E1629-K1633 WeakPolarHBondContact O-CB 3.46Å; E1629-K1633 WeakPolarHBondContact O-CG 3.24Å; E1629-K1633 PolarHBondContact O-N 2.74Å; E1629-K1633 VanDerWaalsContact O-N 3.07Å; E1629-K1633 VanDerWaalsContact OE1-CE 3.23Å; E1629-K1633 WeakPolarHBondContact OE1-CE 3.37Å; E1629-K1633 IonicContact OE1-NZ 2.59Å; E1629-K1633 PolarHBondContact OE1-NZ 3.19Å; R1630-K1633 CarbonylContact O-C 3.56Å; R1630-K1633 WeakPolarHBondContact O-CA 3.12Å; R1630-K1633 PolarHBondContact O-N 2.82Å; K1633-K1637 WeakPolarHBondContact O-CB 3.32Å; K1633-K1637 WeakPolarHBondContact O-CD 3.37Å; K1633-K1637 VanDerWaalsContact O-CG 3.23Å; K1633-K1637 WeakPolarHBondContact O-CG 3.2Å; K1633-K1637 PolarHBondContact O-N 2.87Å
1634	E	49.1	Very low	42.6	Very low	103 Å²	103	115.6 Å²	115.6	48%	0.481	55%	0.554	S	S	.	*	H	α-helix	trans	-92.1	-34.4	178.3	-154.2	145.4	-157.5	0	0	109.9	R1630 K1631 R1632 A1638	R1630-E1634 IonicContact CZ-OE2 3.57Å; R1630-E1634 IonicContact NE-OE2 3.5Å; R1630-E1634 PolarHBondContact NE-OE2 3.04Å; R1630-E1634 IonicContact NH2-OE1 2.87Å; R1630-E1634 PolarHBondContact NH2-OE1 3.46Å; R1630-E1634 IonicContact NH2-OE2 2.73Å; R1630-E1634 PolarHBondContact NH2-OE2 2.94Å; R1630-E1634 WeakPolarHBondContact O-CB 3.3Å; R1630-E1634 PolarHBondContact O-N 3.37Å; K1631-E1634 CarbonylContact O-C 3.55Å; K1631-E1634 PolarHBondContact O-N 3.5Å; R1632-E1634 PolarHBondContact O-N 2.91Å; E1634-A1638 VanDerWaalsContact O-CB 3.3Å; E1634-A1638 WeakPolarHBondContact O-CB 3.28Å; E1634-A1638 PolarHBondContact O-N 2.78Å
1635	E	41.6	Very low	42.3	Very low	136 Å²	136	116.3 Å²	116.3	64%	0.636	56%	0.557	S	S	*	*	H	α-helix	trans	-69.6	-44.6	165.9	-80	-172.3	121.9	0	0	112.6	K1631 R1632 K1637 A1638 E1639	K1631-E1635 VanDerWaalsContact O-CB 3.3Å; K1631-E1635 WeakPolarHBondContact O-CB 3.03Å; K1631-E1635 WeakPolarHBondContact O-CG 3.5Å; K1631-E1635 PolarHBondContact O-N 2.88Å; R1632-E1635 PolarHBondContact O-N 2.69Å; E1635-K1637 PolarHBondContact O-N 2.89Å; E1635-A1638 CarbonylContact O-C 3.37Å; E1635-A1638 WeakPolarHBondContact O-CA 3.34Å; E1635-A1638 WeakPolarHBondContact O-CB 3.41Å; E1635-A1638 PolarHBondContact O-N 3.08Å; E1635-E1639 PolarHBondContact O-N 3.42Å
1636	E	43.6	Very low	41.9	Very low	144 Å²	144	114.5 Å²	114.5	67%	0.673	56%	0.556	S	S	*	*	H	α-helix	trans	-65.3	-28	177	-167	175.3	-135.3	0	0	111.3	R1632 S1640	R1632-E1636 VanDerWaalsContact O-CB 3.24Å; R1632-E1636 WeakPolarHBondContact O-CB 3.18Å; R1632-E1636 PolarHBondContact O-N 3.46Å; E1636-S1640 WeakPolarHBondContact O-CB 3.49Å; E1636-S1640 PolarHBondContact O-N 2.73Å; E1636-S1640 PolarHBondContact O-OG 3.32Å
1637	K	43.6	Very low	41.7	Very low	147 Å²	147	113.5 Å²	113.5	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-77.2	-35	166.6	-78	179.3	179.5	-179.6	0	113.4	K1633 E1635 S1640 T1641	K1633-K1637 WeakPolarHBondContact O-CB 3.32Å; K1633-K1637 WeakPolarHBondContact O-CD 3.37Å; K1633-K1637 VanDerWaalsContact O-CG 3.23Å; K1633-K1637 WeakPolarHBondContact O-CG 3.2Å; K1633-K1637 PolarHBondContact O-N 2.87Å; E1635-K1637 PolarHBondContact O-N 2.89Å; K1637-S1640 WeakPolarHBondContact CA-OG 3.45Å; K1637-S1640 PolarHBondContact O-OG 2.74Å; K1637-T1641 WeakPolarHBondContact O-CB 3.3Å; K1637-T1641 WeakPolarHBondContact O-CG2 3.35Å; K1637-T1641 PolarHBondContact O-N 3.38Å; K1637-T1641 PolarHBondContact O-OG1 3.29Å
1638	A	38.1	Very low	41.5	Very low	53 Å²	53	111.1 Å²	111.1	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-67.6	-37.4	174.4	0	0	0	0	0	111.8	E1634 E1635 T1641 R1642	E1634-A1638 VanDerWaalsContact O-CB 3.3Å; E1634-A1638 WeakPolarHBondContact O-CB 3.28Å; E1634-A1638 PolarHBondContact O-N 2.78Å; E1635-A1638 CarbonylContact O-C 3.37Å; E1635-A1638 WeakPolarHBondContact O-CA 3.34Å; E1635-A1638 WeakPolarHBondContact O-CB 3.41Å; E1635-A1638 PolarHBondContact O-N 3.08Å; A1638-T1641 WeakPolarHBondContact CA-OG1 3.43Å; A1638-T1641 PolarHBondContact O-OG1 2.86Å; A1638-R1642 WeakPolarHBondContact O-CB 2.99Å; A1638-R1642 PolarHBondContact O-N 2.81Å
1639	E	44.1	Very low	41	Very low	143 Å²	143	114 Å²	114	67%	0.668	55%	0.55	S	S	*	*	H	α-helix	trans	-75.4	-37.8	178.4	-172.5	154.4	-129.3	0	0	111.9	E1635 R1642	E1635-E1639 PolarHBondContact O-N 3.42Å; E1639-R1642 VanDerWaalsContact O-CB 3.28Å; E1639-R1642 WeakPolarHBondContact O-CB 3.35Å; E1639-R1642 PolarHBondContact O-N 2.95Å
1640	S	40.2	Very low	40.8	Very low	84 Å²	84	118.4 Å²	118.4	59%	0.587	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-31.7	170.9	49.4	0	0	0	0	113.3	E1636 K1637	E1636-S1640 WeakPolarHBondContact O-CB 3.49Å; E1636-S1640 PolarHBondContact O-N 2.73Å; E1636-S1640 PolarHBondContact O-OG 3.32Å; K1637-S1640 WeakPolarHBondContact CA-OG 3.45Å; K1637-S1640 PolarHBondContact O-OG 2.74Å
1641	T	36.2	Very low	40.3	Very low	78 Å²	78	116.8 Å²	116.8	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-80.6	-17	170.4	52.9	0	0	0	0	114	K1637 A1638 G1643 E1644 K1645	K1637-T1641 WeakPolarHBondContact O-CB 3.3Å; K1637-T1641 WeakPolarHBondContact O-CG2 3.35Å; K1637-T1641 PolarHBondContact O-N 3.38Å; K1637-T1641 PolarHBondContact O-OG1 3.29Å; A1638-T1641 WeakPolarHBondContact CA-OG1 3.43Å; A1638-T1641 PolarHBondContact O-OG1 2.86Å; T1641-G1643 PolarHBondContact O-N 2.9Å; T1641-E1644 CarbonylContact O-C 3.43Å; T1641-E1644 WeakPolarHBondContact O-CA 3.49Å; T1641-E1644 PolarHBondContact O-N 2.86Å; T1641-K1645 PolarHBondContact O-N 3.24Å
1642	R	37.2	Very low	40	Very low	182 Å²	182	115.8 Å²	115.8	69%	0.687	56%	0.557	S	S	*	*	H	α-helix	trans	-60.9	-27.5	167.8	-163.1	174.3	-173.9	160.3	2.2	111.9	A1638 E1639 K1645	A1638-R1642 WeakPolarHBondContact O-CB 2.99Å; A1638-R1642 PolarHBondContact O-N 2.81Å; E1639-R1642 VanDerWaalsContact O-CB 3.28Å; E1639-R1642 WeakPolarHBondContact O-CB 3.35Å; E1639-R1642 PolarHBondContact O-N 2.95Å; R1642-K1645 WeakPolarHBondContact O-CB 3.41Å; R1642-K1645 PolarHBondContact O-N 2.92Å
1643	G	37.2	Very low	39.8	Very low	53 Å²	53	113.4 Å²	113.4	55%	0.546	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-41.6	168.3	0	0	0	0	0	113.4	T1641 K1645 V1646	T1641-G1643 PolarHBondContact O-N 2.9Å; G1643-K1645 PolarHBondContact O-N 3.07Å; G1643-V1646 PolarHBondContact O-N 3.43Å
1644	E	38.4	Very low	39.8	Very low	117 Å²	117	113.3 Å²	113.3	55%	0.547	55%	0.554	S	S	.	*	H	α-helix	trans	-71.4	-17.9	174.9	-165.6	166.8	-169.3	0	0	112.3	T1641 V1646 E1647 T1648	T1641-E1644 CarbonylContact O-C 3.43Å; T1641-E1644 WeakPolarHBondContact O-CA 3.49Å; T1641-E1644 PolarHBondContact O-N 2.86Å; E1644-V1646 PolarHBondContact O-N 2.89Å; E1644-V1646 VanDerWaalsContact O-N 3.15Å; E1644-E1647 PolarHBondContact O-N 2.74Å; E1644-T1648 HydrophobicContact CG-CG2 4.35Å; E1644-T1648 PolarHBondContact O-N 3.37Å; E1644-T1648 PolarHBondContact O-OG1 2.81Å
1645	K	32.1	Very low	39.5	Very low	120 Å²	120	111.6 Å²	111.6	52%	0.522	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-8.4	172.9	-156.7	156	-171.5	171.5	0	114.8	T1641 R1642 G1643 T1648 K1649	T1641-K1645 PolarHBondContact O-N 3.24Å; R1642-K1645 WeakPolarHBondContact O-CB 3.41Å; R1642-K1645 PolarHBondContact O-N 2.92Å; G1643-K1645 PolarHBondContact O-N 3.07Å; K1645-T1648 VanDerWaalsContact CA-OG1 3.29Å; K1645-T1648 WeakPolarHBondContact CA-OG1 3.05Å; K1645-K1649 VanDerWaalsContact O-CB 3.31Å; K1645-K1649 WeakPolarHBondContact O-CB 3.26Å; K1645-K1649 WeakPolarHBondContact O-CG 3.18Å; K1645-K1649 PolarHBondContact O-N 3.07Å
1646	V	38	Very low	39.6	Very low	108 Å²	108	108.8 Å²	108.8	66%	0.655	54%	0.543	S	S	*	.	H	α-helix	trans	-89.7	-36.4	170.8	-177.1	0	0	0	0	112	G1643 E1644 R1650	G1643-V1646 PolarHBondContact O-N 3.43Å; E1644-V1646 PolarHBondContact O-N 2.89Å; E1644-V1646 VanDerWaalsContact O-N 3.15Å; V1646-R1650 PolarHBondContact O-N 3.02Å
1647	E	41	Very low	39.6	Very low	119 Å²	119	107.3 Å²	107.3	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-77.5	-38.2	175.3	-160.2	89.8	-109.9	0	0	110.9	E1644 R1650 K1651	E1644-E1647 PolarHBondContact O-N 2.74Å; E1647-R1650 WeakPolarHBondContact O-CB 3.3Å; E1647-R1650 PolarHBondContact O-N 2.84Å; E1647-K1651 PolarHBondContact O-N 3.41Å
1648	T	39.7	Very low	39.5	Very low	47 Å²	47	105.2 Å²	105.2	29%	0.288	53%	0.525	S	S	.	.	H	α-helix	trans	-69.9	-28.8	170.7	47.7	0	0	0	0	112.2	E1644 K1645 R1650 K1651 E1652	E1644-T1648 HydrophobicContact CG-CG2 4.35Å; E1644-T1648 PolarHBondContact O-N 3.37Å; E1644-T1648 PolarHBondContact O-OG1 2.81Å; K1645-T1648 VanDerWaalsContact CA-OG1 3.29Å; K1645-T1648 WeakPolarHBondContact CA-OG1 3.05Å; T1648-R1650 VanDerWaalsContact C-N 3.25Å; T1648-R1650 PolarHBondContact O-N 3.02Å; T1648-K1651 CarbonylContact O-C 3.34Å; T1648-K1651 WeakPolarHBondContact O-CA 3.34Å; T1648-K1651 PolarHBondContact O-N 3.41Å; T1648-E1652 WeakPolarHBondContact O-CG 3.29Å; T1648-E1652 PolarHBondContact O-N 2.88Å
1649	K	35	Very low	39.9	Very low	134 Å²	134	108.8 Å²	108.8	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-61	-30.3	167.6	-96.9	-170.2	173.1	-158.8	0	114	K1645 E1652 E1653	K1645-K1649 VanDerWaalsContact O-CB 3.31Å; K1645-K1649 WeakPolarHBondContact O-CB 3.26Å; K1645-K1649 WeakPolarHBondContact O-CG 3.18Å; K1645-K1649 PolarHBondContact O-N 3.07Å; K1649-E1652 WeakPolarHBondContact CG-OE2 3.2Å; K1649-E1653 PolarHBondContact O-N 2.8Å
1650	R	40.7	Very low	40.1	Very low	177 Å²	177	108.3 Å²	108.3	67%	0.668	53%	0.531	S	S	*	.	H	α-helix	trans	-74.2	-28.5	170.8	-79.6	-179.4	164.5	171.1	-3.5	113.4	V1646 E1647 T1648 E1654	V1646-R1650 PolarHBondContact O-N 3.02Å; E1647-R1650 WeakPolarHBondContact O-CB 3.3Å; E1647-R1650 PolarHBondContact O-N 2.84Å; T1648-R1650 VanDerWaalsContact C-N 3.25Å; T1648-R1650 PolarHBondContact O-N 3.02Å; R1650-E1654 PolarHBondContact O-N 3.46Å
1651	K	38.9	Very low	40.3	Very low	127 Å²	127	109.2 Å²	109.2	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-77.9	-31.2	170.1	-67.7	177.6	-178.2	168.4	0	112.1	E1647 T1648 E1654 T1655	E1647-K1651 PolarHBondContact O-N 3.41Å; T1648-K1651 CarbonylContact O-C 3.34Å; T1648-K1651 WeakPolarHBondContact O-CA 3.34Å; T1648-K1651 PolarHBondContact O-N 3.41Å; K1651-E1654 PolarHBondContact O-N 3.21Å; K1651-T1655 WeakPolarHBondContact O-CB 3.47Å; K1651-T1655 WeakPolarHBondContact O-CG2 3.35Å; K1651-T1655 PolarHBondContact O-N 2.8Å; K1651-T1655 PolarHBondContact O-OG1 2.61Å
1652	E	39.1	Very low	40.8	Very low	87 Å²	87	108.8 Å²	108.8	41%	0.407	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-43	166.9	-71.8	171.1	166.5	0	0	109.2	T1648 K1649 E1654 T1655 V1656	T1648-E1652 WeakPolarHBondContact O-CG 3.29Å; T1648-E1652 PolarHBondContact O-N 2.88Å; K1649-E1652 WeakPolarHBondContact CG-OE2 3.2Å; E1652-E1654 VanDerWaalsContact C-N 3.28Å; E1652-E1654 PolarHBondContact O-N 2.79Å; E1652-T1655 VanDerWaalsContact CA-OG1 3.29Å; E1652-T1655 WeakPolarHBondContact CA-OG1 3.38Å; E1652-T1655 PolarHBondContact O-N 3.36Å; E1652-T1655 PolarHBondContact O-OG1 3.03Å; E1652-V1656 WeakPolarHBondContact O-CA 3.44Å; E1652-V1656 WeakPolarHBondContact O-CB 3.39Å; E1652-V1656 WeakPolarHBondContact O-CG2 3.48Å; E1652-V1656 PolarHBondContact O-N 2.99Å
1653	E	40.1	Very low	41	Very low	112 Å²	112	103.5 Å²	103.5	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-28.4	174.9	-145.2	-162.3	140	0	0	113.6	K1649 K1657	K1649-E1653 PolarHBondContact O-N 2.8Å; E1653-K1657 WeakPolarHBondContact O-CB 3.23Å; E1653-K1657 WeakPolarHBondContact O-CD 3.47Å; E1653-K1657 WeakPolarHBondContact O-CG 3.44Å; E1653-K1657 PolarHBondContact O-N 2.88Å; E1653-K1657 IonicContact OE1-NZ 2.68Å; E1653-K1657 PolarHBondContact OE1-NZ 3.45Å
1654	E	43	Very low	41.6	Very low	108 Å²	108	108.7 Å²	108.7	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-86	-30.7	174.7	-152.8	-160.1	-138.4	0	0	113.2	R1650 K1651 E1652 K1658	R1650-E1654 PolarHBondContact O-N 3.46Å; K1651-E1654 PolarHBondContact O-N 3.21Å; E1652-E1654 VanDerWaalsContact C-N 3.28Å; E1652-E1654 PolarHBondContact O-N 2.79Å; E1654-K1658 VanDerWaalsContact CD-NZ 3.26Å; E1654-K1658 WeakPolarHBondContact O-CD 3.33Å; E1654-K1658 VanDerWaalsContact O-CG 3.29Å; E1654-K1658 WeakPolarHBondContact O-CG 3.44Å; E1654-K1658 PolarHBondContact O-N 2.79Å; E1654-K1658 IonicContact OE1-NZ 2.7Å; E1654-K1658 IonicContact OE2-NZ 2.63Å; E1654-K1658 PolarHBondContact OE2-NZ 2.6Å
1655	T	41.4	Very low	41.8	Very low	67 Å²	67	108.1 Å²	108.1	41%	0.411	51%	0.505	S	S	.	.	H	α-helix	trans	-78.1	-35.7	173.4	47.5	0	0	0	0	111.4	K1651 E1652 K1657 K1658 E1659	K1651-T1655 WeakPolarHBondContact O-CB 3.47Å; K1651-T1655 WeakPolarHBondContact O-CG2 3.35Å; K1651-T1655 PolarHBondContact O-N 2.8Å; K1651-T1655 PolarHBondContact O-OG1 2.61Å; E1652-T1655 VanDerWaalsContact CA-OG1 3.29Å; E1652-T1655 WeakPolarHBondContact CA-OG1 3.38Å; E1652-T1655 PolarHBondContact O-N 3.36Å; E1652-T1655 PolarHBondContact O-OG1 3.03Å; T1655-K1657 VanDerWaalsContact C-N 3.32Å; T1655-K1657 PolarHBondContact O-N 3.19Å; T1655-K1658 CarbonylContact O-C 3.41Å; T1655-K1658 WeakPolarHBondContact O-CA 3.36Å; T1655-K1658 PolarHBondContact O-N 3.49Å; T1655-K1658 VanDerWaalsContact O-N 3.11Å; T1655-E1659 VanDerWaalsContact O-CB 3.32Å; T1655-E1659 WeakPolarHBondContact O-CB 3.19Å; T1655-E1659 WeakPolarHBondContact O-CG 3.23Å; T1655-E1659 PolarHBondContact O-N 2.86Å
1656	V	43.8	Very low	42.4	Very low	78 Å²	78	109.7 Å²	109.7	47%	0.473	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-33.8	168	171.4	0	0	0	0	110.9	E1652 E1659 E1660	E1652-V1656 WeakPolarHBondContact O-CA 3.44Å; E1652-V1656 WeakPolarHBondContact O-CB 3.39Å; E1652-V1656 WeakPolarHBondContact O-CG2 3.48Å; E1652-V1656 PolarHBondContact O-N 2.99Å; V1656-E1659 CarbonylContact O-C 3.6Å; V1656-E1659 PolarHBondContact O-N 2.81Å; V1656-E1660 WeakPolarHBondContact O-CB 3.41Å; V1656-E1660 WeakPolarHBondContact O-CG 3.38Å; V1656-E1660 PolarHBondContact O-N 2.81Å
1657	K	44.4	Very low	42.4	Very low	113 Å²	113	109.4 Å²	109.4	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-33	169.1	-81.9	167.4	-178.5	144.5	0	113.2	E1653 T1655 E1661	E1653-K1657 WeakPolarHBondContact O-CB 3.23Å; E1653-K1657 WeakPolarHBondContact O-CD 3.47Å; E1653-K1657 WeakPolarHBondContact O-CG 3.44Å; E1653-K1657 PolarHBondContact O-N 2.88Å; E1653-K1657 IonicContact OE1-NZ 2.68Å; E1653-K1657 PolarHBondContact OE1-NZ 3.45Å; T1655-K1657 VanDerWaalsContact C-N 3.32Å; T1655-K1657 PolarHBondContact O-N 3.19Å; K1657-E1661 WeakPolarHBondContact O-CB 3.45Å; K1657-E1661 PolarHBondContact O-N 3.36Å
1658	K	41.8	Very low	42.7	Very low	102 Å²	102	108.9 Å²	108.9	44%	0.443	50%	0.495	S	S	.	.	H	α-helix	trans	-75	-29.1	172.1	-73.3	161.3	-176.7	166	0	112.4	E1654 T1655 E1661 V1662	E1654-K1658 VanDerWaalsContact CD-NZ 3.26Å; E1654-K1658 WeakPolarHBondContact O-CD 3.33Å; E1654-K1658 VanDerWaalsContact O-CG 3.29Å; E1654-K1658 WeakPolarHBondContact O-CG 3.44Å; E1654-K1658 PolarHBondContact O-N 2.79Å; E1654-K1658 IonicContact OE1-NZ 2.7Å; E1654-K1658 IonicContact OE2-NZ 2.63Å; E1654-K1658 PolarHBondContact OE2-NZ 2.6Å; T1655-K1658 CarbonylContact O-C 3.41Å; T1655-K1658 WeakPolarHBondContact O-CA 3.36Å; T1655-K1658 PolarHBondContact O-N 3.49Å; T1655-K1658 VanDerWaalsContact O-N 3.11Å; K1658-E1661 PolarHBondContact O-N 3.31Å; K1658-V1662 VanDerWaalsContact O-CB 3.22Å; K1658-V1662 WeakPolarHBondContact O-CB 3.35Å; K1658-V1662 WeakPolarHBondContact O-CG2 3.43Å; K1658-V1662 PolarHBondContact O-N 3.46Å
1659	E	46.7	Very low	42.9	Very low	129 Å²	129	112.9 Å²	112.9	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-79.7	-35.2	173.9	-76.1	-176.9	152.1	0	0	110.6	T1655 V1656 E1661 V1662 E1663	T1655-E1659 VanDerWaalsContact O-CB 3.32Å; T1655-E1659 WeakPolarHBondContact O-CB 3.19Å; T1655-E1659 WeakPolarHBondContact O-CG 3.23Å; T1655-E1659 PolarHBondContact O-N 2.86Å; V1656-E1659 CarbonylContact O-C 3.6Å; V1656-E1659 PolarHBondContact O-N 2.81Å; E1659-E1661 VanDerWaalsContact C-N 3.34Å; E1659-V1662 CarbonylContact O-C 3.24Å; E1659-V1662 PolarHBondContact O-N 3.49Å; E1659-E1663 WeakPolarHBondContact O-CA 3.17Å; E1659-E1663 WeakPolarHBondContact O-CB 3.33Å; E1659-E1663 PolarHBondContact O-N 3.44Å
1660	E	47.2	Very low	43.2	Very low	132 Å²	132	112.5 Å²	112.5	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-39.7	163.8	-81.4	-163.8	119	0	0	110.9	V1656 R1664	V1656-E1660 WeakPolarHBondContact O-CB 3.41Å; V1656-E1660 WeakPolarHBondContact O-CG 3.38Å; V1656-E1660 PolarHBondContact O-N 2.81Å; E1660-R1664 WeakPolarHBondContact O-CA 3.22Å; E1660-R1664 WeakPolarHBondContact O-CB 3.38Å; E1660-R1664 PolarHBondContact O-N 3.41Å
1661	E	44.3	Very low	43	Very low	103 Å²	103	111.3 Å²	111.3	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-69.8	-34.8	175.2	-158.4	-170.1	148.3	0	0	112	K1657 K1658 E1659 K1665	K1657-E1661 WeakPolarHBondContact O-CB 3.45Å; K1657-E1661 PolarHBondContact O-N 3.36Å; K1658-E1661 PolarHBondContact O-N 3.31Å; E1659-E1661 VanDerWaalsContact C-N 3.34Å; E1661-K1665 WeakPolarHBondContact O-CB 3.49Å; E1661-K1665 WeakPolarHBondContact O-CD 3.21Å; E1661-K1665 WeakPolarHBondContact O-CG 3.34Å; E1661-K1665 PolarHBondContact O-N 2.64Å; E1661-K1665 VanDerWaalsContact OE1-CE 3.24Å; E1661-K1665 WeakPolarHBondContact OE1-CE 3.2Å; E1661-K1665 IonicContact OE1-NZ 2.95Å; E1661-K1665 PolarHBondContact OE1-NZ 3.29Å
1662	V	46.3	Very low	43.3	Very low	70 Å²	70	107.5 Å²	107.5	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-76.9	-30.8	175	164.2	0	0	0	0	112	K1658 E1659 K1665 R1666	K1658-V1662 VanDerWaalsContact O-CB 3.22Å; K1658-V1662 WeakPolarHBondContact O-CB 3.35Å; K1658-V1662 WeakPolarHBondContact O-CG2 3.43Å; K1658-V1662 PolarHBondContact O-N 3.46Å; E1659-V1662 CarbonylContact O-C 3.24Å; E1659-V1662 PolarHBondContact O-N 3.49Å; V1662-K1665 CarbonylContact O-C 3.58Å; V1662-R1666 VanDerWaalsContact O-CB 3.31Å; V1662-R1666 WeakPolarHBondContact O-CB 3.4Å; V1662-R1666 VanDerWaalsContact O-CG 3.23Å; V1662-R1666 WeakPolarHBondContact O-CG 3.42Å; V1662-R1666 PolarHBondContact O-N 3.35Å
1663	E	42.3	Very low	43.5	Very low	70 Å²	70	109.9 Å²	109.9	33%	0.327	51%	0.514	S	S	.	.	H	α-helix	trans	-81.8	-34.2	178	-175.4	64.3	-171.3	0	0	110.6	E1659 R1666 K1667	E1659-E1663 WeakPolarHBondContact O-CA 3.17Å; E1659-E1663 WeakPolarHBondContact O-CB 3.33Å; E1659-E1663 PolarHBondContact O-N 3.44Å; E1663-R1666 PolarHBondContact O-N 3.19Å; E1663-R1666 WeakPolarHBondContact OE2-CD 3.28Å; E1663-R1666 IonicContact OE2-NH1 2.63Å; E1663-K1667 HydrophobicContact CG-CD 4.33Å; E1663-K1667 VanDerWaalsContact O-CB 3.31Å; E1663-K1667 WeakPolarHBondContact O-CB 3.23Å; E1663-K1667 WeakPolarHBondContact O-CG 3.42Å; E1663-K1667 PolarHBondContact O-N 3.34Å; E1663-K1667 VanDerWaalsContact OE1-CE 3.28Å; E1663-K1667 WeakPolarHBondContact OE1-CE 3.37Å; E1663-K1667 IonicContact OE1-NZ 2.97Å; E1663-K1667 PolarHBondContact OE1-NZ 3.13Å
1664	R	49.1	Very low	43.5	Very low	163 Å²	163	107.7 Å²	107.7	62%	0.615	51%	0.511	S	S	*	.	H	α-helix	trans	-72.4	-35.3	167.3	-154.7	-160.6	89.4	-170.7	7.3	111.1	E1660 K1667 E1668	E1660-R1664 WeakPolarHBondContact O-CA 3.22Å; E1660-R1664 WeakPolarHBondContact O-CB 3.38Å; E1660-R1664 PolarHBondContact O-N 3.41Å; R1664-K1667 CarbonylContact O-C 3.47Å; R1664-K1667 PolarHBondContact O-N 3.18Å; R1664-E1668 IonicContact CZ-OE2 2.84Å; R1664-E1668 VanDerWaalsContact CZ-OE2 3.23Å; R1664-E1668 IonicContact NE-OE2 3.21Å; R1664-E1668 PolarHBondContact NE-OE2 3.27Å; R1664-E1668 IonicContact NH2-OE2 2.72Å; R1664-E1668 PolarHBondContact NH2-OE2 3.02Å; R1664-E1668 WeakPolarHBondContact O-CB 3.43Å; R1664-E1668 WeakPolarHBondContact O-CG 3.23Å; R1664-E1668 PolarHBondContact O-N 3.24Å
1665	K	42.6	Very low	43.3	Very low	105 Å²	105	106.7 Å²	106.7	46%	0.457	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-42.3	167.3	-80.4	167.8	-169.7	164.2	0	111.4	E1661 V1662 K1667 E1668 E1669	E1661-K1665 WeakPolarHBondContact O-CB 3.49Å; E1661-K1665 WeakPolarHBondContact O-CD 3.21Å; E1661-K1665 WeakPolarHBondContact O-CG 3.34Å; E1661-K1665 PolarHBondContact O-N 2.64Å; E1661-K1665 VanDerWaalsContact OE1-CE 3.24Å; E1661-K1665 WeakPolarHBondContact OE1-CE 3.2Å; E1661-K1665 IonicContact OE1-NZ 2.95Å; E1661-K1665 PolarHBondContact OE1-NZ 3.29Å; V1662-K1665 CarbonylContact O-C 3.58Å; K1665-K1667 VanDerWaalsContact C-N 3.32Å; K1665-K1667 PolarHBondContact O-N 3.2Å; K1665-E1668 CarbonylContact O-C 3.59Å; K1665-E1668 PolarHBondContact O-N 3.48Å; K1665-E1669 WeakPolarHBondContact O-CA 3.28Å; K1665-E1669 WeakPolarHBondContact O-CB 3.49Å; K1665-E1669 PolarHBondContact O-N 3.27Å
1666	R	44.5	Very low	43.3	Very low	152 Å²	152	112.1 Å²	112.1	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-61.2	-39.1	172	-81.9	169.9	173	173.8	-2.6	111.5	V1662 E1663 E1669 E1670	V1662-R1666 VanDerWaalsContact O-CB 3.31Å; V1662-R1666 WeakPolarHBondContact O-CB 3.4Å; V1662-R1666 VanDerWaalsContact O-CG 3.23Å; V1662-R1666 WeakPolarHBondContact O-CG 3.42Å; V1662-R1666 PolarHBondContact O-N 3.35Å; E1663-R1666 PolarHBondContact O-N 3.19Å; E1663-R1666 WeakPolarHBondContact OE2-CD 3.28Å; E1663-R1666 IonicContact OE2-NH1 2.63Å; R1666-E1669 CarbonylContact O-C 3.59Å; R1666-E1669 PolarHBondContact O-N 2.97Å; R1666-E1670 WeakPolarHBondContact O-CA 3.41Å; R1666-E1670 WeakPolarHBondContact O-CB 3.39Å; R1666-E1670 PolarHBondContact O-N 2.73Å
1667	K	38.4	Very low	42.9	Very low	102 Å²	102	109.8 Å²	109.8	44%	0.443	52%	0.517	S	S	.	.	H	α-helix	trans	-79.4	-21	177.2	-77.4	162.7	172.5	148.4	0	113.8	E1663 R1664 K1665 K1671	E1663-K1667 HydrophobicContact CG-CD 4.33Å; E1663-K1667 VanDerWaalsContact O-CB 3.31Å; E1663-K1667 WeakPolarHBondContact O-CB 3.23Å; E1663-K1667 WeakPolarHBondContact O-CG 3.42Å; E1663-K1667 PolarHBondContact O-N 3.34Å; E1663-K1667 VanDerWaalsContact OE1-CE 3.28Å; E1663-K1667 WeakPolarHBondContact OE1-CE 3.37Å; E1663-K1667 IonicContact OE1-NZ 2.97Å; E1663-K1667 PolarHBondContact OE1-NZ 3.13Å; R1664-K1667 CarbonylContact O-C 3.47Å; R1664-K1667 PolarHBondContact O-N 3.18Å; K1665-K1667 VanDerWaalsContact C-N 3.32Å; K1665-K1667 PolarHBondContact O-N 3.2Å; K1667-K1671 WeakPolarHBondContact O-CB 3.22Å; K1667-K1671 WeakPolarHBondContact O-CD 3.31Å; K1667-K1671 WeakPolarHBondContact O-CG 3.42Å; K1667-K1671 PolarHBondContact O-N 2.93Å
1668	E	47.4	Very low	42.7	Very low	108 Å²	108	111.4 Å²	111.4	51%	0.505	53%	0.526	S	S	.	.	H	α-helix	trans	-79	-31.6	163.5	-77.7	-176.8	88.2	0	0	111.5	R1664 K1665 A1672	R1664-E1668 IonicContact CZ-OE2 2.84Å; R1664-E1668 VanDerWaalsContact CZ-OE2 3.23Å; R1664-E1668 IonicContact NE-OE2 3.21Å; R1664-E1668 PolarHBondContact NE-OE2 3.27Å; R1664-E1668 IonicContact NH2-OE2 2.72Å; R1664-E1668 PolarHBondContact NH2-OE2 3.02Å; R1664-E1668 WeakPolarHBondContact O-CB 3.43Å; R1664-E1668 WeakPolarHBondContact O-CG 3.23Å; R1664-E1668 PolarHBondContact O-N 3.24Å; K1665-E1668 CarbonylContact O-C 3.59Å; K1665-E1668 PolarHBondContact O-N 3.48Å; E1668-A1672 WeakPolarHBondContact O-CA 3.25Å; E1668-A1672 WeakPolarHBondContact O-CB 3.31Å; E1668-A1672 PolarHBondContact O-N 3.28Å
1669	E	43.3	Very low	42.6	Very low	132 Å²	132	113.1 Å²	113.1	62%	0.617	53%	0.534	S	S	*	.	H	α-helix	trans	-82.7	-31.1	-179.4	-171.1	158.7	-129.8	0	0	111.8	K1665 R1666 A1672 E1673	K1665-E1669 WeakPolarHBondContact O-CA 3.28Å; K1665-E1669 WeakPolarHBondContact O-CB 3.49Å; K1665-E1669 PolarHBondContact O-N 3.27Å; R1666-E1669 CarbonylContact O-C 3.59Å; R1666-E1669 PolarHBondContact O-N 2.97Å; E1669-A1672 CarbonylContact O-C 3.51Å; E1669-A1672 PolarHBondContact O-N 2.68Å; E1669-E1673 WeakPolarHBondContact O-CA 3.28Å; E1669-E1673 WeakPolarHBondContact O-CB 3.16Å; E1669-E1673 PolarHBondContact O-N 3.42Å
1670	E	41.3	Very low	42.3	Very low	126 Å²	126	109.9 Å²	109.9	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-80.8	-28.9	171.2	-178.3	-176.6	-125	0	0	110.9	R1666 E1673 S1674	R1666-E1670 WeakPolarHBondContact O-CA 3.41Å; R1666-E1670 WeakPolarHBondContact O-CB 3.39Å; R1666-E1670 PolarHBondContact O-N 2.73Å; E1670-E1673 PolarHBondContact O-N 2.89Å; E1670-S1674 VanDerWaalsContact O-CB 3.29Å; E1670-S1674 WeakPolarHBondContact O-CB 3.37Å; E1670-S1674 PolarHBondContact O-N 3.4Å; E1670-S1674 PolarHBondContact O-OG 3.28Å
1671	K	37.2	Very low	41.8	Very low	151 Å²	151	107.7 Å²	107.7	66%	0.657	51%	0.512	S	S	*	.	H	α-helix	trans	-74.1	-33.8	162.6	-76.1	179.5	177.3	-178.9	0	111.9	K1667 E1673 S1674 T1675	K1667-K1671 WeakPolarHBondContact O-CB 3.22Å; K1667-K1671 WeakPolarHBondContact O-CD 3.31Å; K1667-K1671 WeakPolarHBondContact O-CG 3.42Å; K1667-K1671 PolarHBondContact O-N 2.93Å; K1671-E1673 VanDerWaalsContact C-N 3.32Å; K1671-S1674 WeakPolarHBondContact CA-OG 3.4Å; K1671-S1674 PolarHBondContact O-OG 2.82Å; K1671-T1675 WeakPolarHBondContact O-CB 3.3Å; K1671-T1675 WeakPolarHBondContact O-CG2 3.23Å; K1671-T1675 PolarHBondContact O-N 2.85Å; K1671-T1675 PolarHBondContact O-OG1 3.35Å
1672	A	45.8	Very low	41.8	Very low	48 Å²	48	105.5 Å²	105.5	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-72	-25.6	169.3	0	0	0	0	0	111.9	E1668 E1669 T1675 R1676	E1668-A1672 WeakPolarHBondContact O-CA 3.25Å; E1668-A1672 WeakPolarHBondContact O-CB 3.31Å; E1668-A1672 PolarHBondContact O-N 3.28Å; E1669-A1672 CarbonylContact O-C 3.51Å; E1669-A1672 PolarHBondContact O-N 2.68Å; A1672-T1675 PolarHBondContact O-OG1 3.49Å; A1672-R1676 VanDerWaalsContact O-CA 3.31Å; A1672-R1676 WeakPolarHBondContact O-CA 3.36Å; A1672-R1676 WeakPolarHBondContact O-CB 3.49Å; A1672-R1676 PolarHBondContact O-N 3.15Å
1673	E	43.2	Very low	41.5	Very low	136 Å²	136	108 Å²	108	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-98	-15.1	-179.5	-173.8	155.6	-129.2	0	0	112.8	E1669 E1670 K1671 G1677	E1669-E1673 WeakPolarHBondContact O-CA 3.28Å; E1669-E1673 WeakPolarHBondContact O-CB 3.16Å; E1669-E1673 PolarHBondContact O-N 3.42Å; E1670-E1673 PolarHBondContact O-N 2.89Å; K1671-E1673 VanDerWaalsContact C-N 3.32Å; E1673-G1677 WeakPolarHBondContact O-CA 3.36Å; E1673-G1677 PolarHBondContact O-N 3.3Å
1674	S	38.6	Very low	41.4	Very low	66 Å²	66	112.5 Å²	112.5	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-79.1	-42.4	158.8	51.1	0	0	0	0	110.9	E1670 K1671 G1677 E1678	E1670-S1674 VanDerWaalsContact O-CB 3.29Å; E1670-S1674 WeakPolarHBondContact O-CB 3.37Å; E1670-S1674 PolarHBondContact O-N 3.4Å; E1670-S1674 PolarHBondContact O-OG 3.28Å; K1671-S1674 WeakPolarHBondContact CA-OG 3.4Å; K1671-S1674 PolarHBondContact O-OG 2.82Å; S1674-G1677 PolarHBondContact O-N 2.92Å; S1674-E1678 VanDerWaalsContact O-CB 3.27Å; S1674-E1678 WeakPolarHBondContact O-CB 3.41Å; S1674-E1678 PolarHBondContact O-N 3.13Å
1675	T	40.4	Very low	40.8	Very low	87 Å²	87	110.4 Å²	110.4	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-74.6	-32.8	174.1	56.8	0	0	0	0	113.3	K1671 A1672 K1679	K1671-T1675 WeakPolarHBondContact O-CB 3.3Å; K1671-T1675 WeakPolarHBondContact O-CG2 3.23Å; K1671-T1675 PolarHBondContact O-N 2.85Å; K1671-T1675 PolarHBondContact O-OG1 3.35Å; A1672-T1675 PolarHBondContact O-OG1 3.49Å; T1675-K1679 WeakPolarHBondContact O-CB 3.26Å; T1675-K1679 PolarHBondContact O-N 3.4Å
1676	R	41.6	Very low	41	Very low	181 Å²	181	111.1 Å²	111.1	68%	0.683	53%	0.528	S	S	*	.	H	α-helix	trans	-77	-29.5	166.7	-174.5	-179.6	-174.2	170.6	-0.2	111.3	A1672 K1679 V1680	A1672-R1676 VanDerWaalsContact O-CA 3.31Å; A1672-R1676 WeakPolarHBondContact O-CA 3.36Å; A1672-R1676 WeakPolarHBondContact O-CB 3.49Å; A1672-R1676 PolarHBondContact O-N 3.15Å; R1676-K1679 CarbonylContact O-C 3.59Å; R1676-K1679 PolarHBondContact O-N 2.81Å; R1676-V1680 HydrophobicContact CG-CG2 3.87Å; R1676-V1680 WeakPolarHBondContact O-CA 3.35Å; R1676-V1680 WeakPolarHBondContact O-CB 3.29Å; R1676-V1680 WeakPolarHBondContact O-CG2 3.28Å; R1676-V1680 PolarHBondContact O-N 2.8Å
1677	G	35.3	Very low	41	Very low	29 Å²	29	109.2 Å²	109.2	30%	0.299	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-55.2	172.2	0	0	0	0	0	109.9	E1673 S1674 K1679 V1680 E1681	E1673-G1677 WeakPolarHBondContact O-CA 3.36Å; E1673-G1677 PolarHBondContact O-N 3.3Å; S1674-G1677 PolarHBondContact O-N 2.92Å; G1677-K1679 VanDerWaalsContact C-N 3.26Å; G1677-K1679 PolarHBondContact O-N 3.49Å; G1677-V1680 CarbonylContact O-C 3.55Å; G1677-V1680 PolarHBondContact O-N 2.8Å; G1677-E1681 WeakPolarHBondContact O-CB 3.28Å; G1677-E1681 PolarHBondContact O-N 2.82Å
1678	E	40.3	Very low	41.1	Very low	147 Å²	147	109.1 Å²	109.1	69%	0.687	53%	0.526	S	S	*	.	H	α-helix	trans	-57.7	-37	171.9	-170	173.6	-138.5	0	0	111.9	S1674 S1682	S1674-E1678 VanDerWaalsContact O-CB 3.27Å; S1674-E1678 WeakPolarHBondContact O-CB 3.41Å; S1674-E1678 PolarHBondContact O-N 3.13Å; E1678-S1682 VanDerWaalsContact O-CB 3.25Å; E1678-S1682 WeakPolarHBondContact O-CB 3.25Å; E1678-S1682 PolarHBondContact O-N 2.73Å; E1678-S1682 PolarHBondContact O-OG 2.92Å
1679	K	39.1	Very low	40.8	Very low	139 Å²	139	107.8 Å²	107.8	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-78.4	-13.8	174.9	-163	163.2	-171.8	166.2	0	115.4	T1675 R1676 G1677 S1682 K1683	T1675-K1679 WeakPolarHBondContact O-CB 3.26Å; T1675-K1679 PolarHBondContact O-N 3.4Å; R1676-K1679 CarbonylContact O-C 3.59Å; R1676-K1679 PolarHBondContact O-N 2.81Å; G1677-K1679 VanDerWaalsContact C-N 3.26Å; G1677-K1679 PolarHBondContact O-N 3.49Å; K1679-S1682 VanDerWaalsContact CA-OG 3.31Å; K1679-S1682 WeakPolarHBondContact CA-OG 3.39Å; K1679-K1683 WeakPolarHBondContact O-CB 3.27Å; K1679-K1683 WeakPolarHBondContact O-CG 3.18Å; K1679-K1683 PolarHBondContact O-N 3.33Å
1680	V	40.6	Very low	41.1	Very low	60 Å²	60	105 Å²	105	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-102.3	-23.3	175.2	166.7	0	0	0	0	110.3	R1676 G1677 K1683 R1684	R1676-V1680 HydrophobicContact CG-CG2 3.87Å; R1676-V1680 WeakPolarHBondContact O-CA 3.35Å; R1676-V1680 WeakPolarHBondContact O-CB 3.29Å; R1676-V1680 WeakPolarHBondContact O-CG2 3.28Å; R1676-V1680 PolarHBondContact O-N 2.8Å; G1677-V1680 CarbonylContact O-C 3.55Å; G1677-V1680 PolarHBondContact O-N 2.8Å; V1680-K1683 CarbonylContact O-C 3.15Å; V1680-R1684 HydrophobicContact CG1-CG 4.48Å; V1680-R1684 WeakPolarHBondContact O-CA 3.42Å; V1680-R1684 WeakPolarHBondContact O-CB 3.46Å; V1680-R1684 WeakPolarHBondContact O-CG 3.47Å; V1680-R1684 PolarHBondContact O-N 3.23Å
1681	E	37.2	Very low	41.3	Very low	86 Å²	86	104.3 Å²	104.3	40%	0.402	51%	0.513	S	S	.	.	H	α-helix	trans	-79.1	-44.1	171.2	-173.5	62.8	-165.3	0	0	109.7	G1677 R1684 K1685	G1677-E1681 WeakPolarHBondContact O-CB 3.28Å; G1677-E1681 PolarHBondContact O-N 2.82Å; E1681-R1684 PolarHBondContact O-N 2.61Å; E1681-K1685 HydrophobicContact CG-CD 4.41Å; E1681-K1685 WeakPolarHBondContact O-CB 3.23Å; E1681-K1685 WeakPolarHBondContact O-CD 3.3Å; E1681-K1685 WeakPolarHBondContact O-CG 3.38Å; E1681-K1685 PolarHBondContact O-N 2.65Å; E1681-K1685 VanDerWaalsContact OE1-CE 3.23Å; E1681-K1685 WeakPolarHBondContact OE1-CE 3.43Å; E1681-K1685 IonicContact OE1-NZ 2.67Å; E1681-K1685 PolarHBondContact OE1-NZ 3.34Å
1682	S	43	Very low	41.6	Very low	57 Å²	57	102.6 Å²	102.6	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-40.5	166.4	54.7	0	0	0	0	111.7	E1678 K1679 K1685 E1686	E1678-S1682 VanDerWaalsContact O-CB 3.25Å; E1678-S1682 WeakPolarHBondContact O-CB 3.25Å; E1678-S1682 PolarHBondContact O-N 2.73Å; E1678-S1682 PolarHBondContact O-OG 2.92Å; K1679-S1682 VanDerWaalsContact CA-OG 3.31Å; K1679-S1682 WeakPolarHBondContact CA-OG 3.39Å; S1682-K1685 PolarHBondContact O-N 3.28Å; S1682-E1686 WeakPolarHBondContact O-CB 3.18Å; S1682-E1686 WeakPolarHBondContact O-CG 3.23Å; S1682-E1686 PolarHBondContact O-N 3.2Å
1683	K	40.4	Very low	41.8	Very low	124 Å²	124	106.9 Å²	106.9	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-71	-26.2	172	-82.9	-170.2	163.3	-137.3	0	114.9	K1679 V1680 E1687	K1679-K1683 WeakPolarHBondContact O-CB 3.27Å; K1679-K1683 WeakPolarHBondContact O-CG 3.18Å; K1679-K1683 PolarHBondContact O-N 3.33Å; V1680-K1683 CarbonylContact O-C 3.15Å; K1683-E1687 WeakPolarHBondContact O-CA 3.39Å; K1683-E1687 WeakPolarHBondContact O-CB 3.24Å; K1683-E1687 PolarHBondContact O-N 2.9Å
1684	R	39.3	Very low	42	Very low	163 Å²	163	106.8 Å²	106.8	62%	0.615	52%	0.517	S	S	*	.	H	α-helix	trans	-73.2	-38.1	170	-87.1	172.8	169.6	-178.3	-3.4	110	V1680 E1681 E1687 E1688	V1680-R1684 HydrophobicContact CG1-CG 4.48Å; V1680-R1684 WeakPolarHBondContact O-CA 3.42Å; V1680-R1684 WeakPolarHBondContact O-CB 3.46Å; V1680-R1684 WeakPolarHBondContact O-CG 3.47Å; V1680-R1684 PolarHBondContact O-N 3.23Å; E1681-R1684 PolarHBondContact O-N 2.61Å; R1684-E1687 PolarHBondContact O-N 2.65Å; R1684-E1688 WeakPolarHBondContact O-CA 3.38Å; R1684-E1688 WeakPolarHBondContact O-CB 3.42Å; R1684-E1688 PolarHBondContact O-N 3.23Å
1685	K	38.3	Very low	42.2	Very low	119 Å²	119	108.6 Å²	108.6	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-41.6	173.4	-76.3	159.9	175	154.9	0	111.5	E1681 S1682 T1689	E1681-K1685 HydrophobicContact CG-CD 4.41Å; E1681-K1685 WeakPolarHBondContact O-CB 3.23Å; E1681-K1685 WeakPolarHBondContact O-CD 3.3Å; E1681-K1685 WeakPolarHBondContact O-CG 3.38Å; E1681-K1685 PolarHBondContact O-N 2.65Å; E1681-K1685 VanDerWaalsContact OE1-CE 3.23Å; E1681-K1685 WeakPolarHBondContact OE1-CE 3.43Å; E1681-K1685 IonicContact OE1-NZ 2.67Å; E1681-K1685 PolarHBondContact OE1-NZ 3.34Å; S1682-K1685 PolarHBondContact O-N 3.28Å; K1685-T1689 WeakPolarHBondContact O-CB 3.45Å; K1685-T1689 VanDerWaalsContact O-CG2 3.3Å; K1685-T1689 WeakPolarHBondContact O-CG2 3.41Å; K1685-T1689 PolarHBondContact O-N 2.84Å; K1685-T1689 PolarHBondContact O-OG1 3.1Å
1686	E	45.4	Very low	42.7	Very low	120 Å²	120	107.8 Å²	107.8	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-46.5	169	-75.8	-173.1	133.8	0	0	112.1	S1682 E1688 T1689 V1690	S1682-E1686 WeakPolarHBondContact O-CB 3.18Å; S1682-E1686 WeakPolarHBondContact O-CG 3.23Å; S1682-E1686 PolarHBondContact O-N 3.2Å; E1686-E1688 VanDerWaalsContact C-N 3.35Å; E1686-E1688 PolarHBondContact O-N 3.09Å; E1686-T1689 WeakPolarHBondContact CA-OG1 3.42Å; E1686-T1689 PolarHBondContact O-N 2.98Å; E1686-T1689 PolarHBondContact O-OG1 3.38Å; E1686-T1689 VanDerWaalsContact O-OG1 3.13Å; E1686-V1690 WeakPolarHBondContact O-CB 3.48Å; E1686-V1690 WeakPolarHBondContact O-CG2 3.18Å; E1686-V1690 PolarHBondContact O-N 2.83Å
1687	E	44.4	Very low	43	Very low	113 Å²	113	103.4 Å²	103.4	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-74.6	-24.8	-177.6	-163.4	-174.7	-100.6	0	0	112.2	K1683 R1684 K1691	K1683-E1687 WeakPolarHBondContact O-CA 3.39Å; K1683-E1687 WeakPolarHBondContact O-CB 3.24Å; K1683-E1687 PolarHBondContact O-N 2.9Å; R1684-E1687 PolarHBondContact O-N 2.65Å; E1687-K1691 HydrophobicContact CG-CD 4.27Å; E1687-K1691 WeakPolarHBondContact O-CB 3.22Å; E1687-K1691 WeakPolarHBondContact O-CD 3.28Å; E1687-K1691 WeakPolarHBondContact O-CG 3.49Å; E1687-K1691 PolarHBondContact O-N 3.47Å; E1687-K1691 IonicContact OE2-NZ 3.23Å; E1687-K1691 PolarHBondContact OE2-NZ 2.97Å
1688	E	41	Very low	43.5	Very low	99 Å²	99	109.4 Å²	109.4	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-83	-35	172.6	-166.5	-173	167.2	0	0	111.6	R1684 E1686 K1692	R1684-E1688 WeakPolarHBondContact O-CA 3.38Å; R1684-E1688 WeakPolarHBondContact O-CB 3.42Å; R1684-E1688 PolarHBondContact O-N 3.23Å; E1686-E1688 VanDerWaalsContact C-N 3.35Å; E1686-E1688 PolarHBondContact O-N 3.09Å; E1688-K1692 HydrophobicContact CG-CD 4.34Å; E1688-K1692 VanDerWaalsContact O-CB 3.31Å; E1688-K1692 WeakPolarHBondContact O-CB 3.25Å; E1688-K1692 VanDerWaalsContact O-CG 3.22Å; E1688-K1692 WeakPolarHBondContact O-CG 3.31Å; E1688-K1692 PolarHBondContact O-N 3.39Å; E1688-K1692 VanDerWaalsContact OE1-CE 3.26Å; E1688-K1692 WeakPolarHBondContact OE1-CE 3.4Å; E1688-K1692 IonicContact OE1-NZ 2.69Å; E1688-K1692 PolarHBondContact OE1-NZ 2.85Å
1689	T	41.3	Very low	43.8	Very low	81 Å²	81	107.6 Å²	107.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-42.8	167.9	55.6	0	0	0	0	110.8	K1685 E1686 K1692 E1693	K1685-T1689 WeakPolarHBondContact O-CB 3.45Å; K1685-T1689 VanDerWaalsContact O-CG2 3.3Å; K1685-T1689 WeakPolarHBondContact O-CG2 3.41Å; K1685-T1689 PolarHBondContact O-N 2.84Å; K1685-T1689 PolarHBondContact O-OG1 3.1Å; E1686-T1689 WeakPolarHBondContact CA-OG1 3.42Å; E1686-T1689 PolarHBondContact O-N 2.98Å; E1686-T1689 PolarHBondContact O-OG1 3.38Å; E1686-T1689 VanDerWaalsContact O-OG1 3.13Å; T1689-K1692 CarbonylContact O-C 3.52Å; T1689-K1692 PolarHBondContact O-N 2.98Å; T1689-E1693 WeakPolarHBondContact O-CB 3.36Å; T1689-E1693 WeakPolarHBondContact O-CG 3.43Å; T1689-E1693 PolarHBondContact O-N 3.25Å
1690	V	49	Very low	44.2	Very low	73 Å²	73	108.4 Å²	108.4	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-35.7	174.6	170.5	0	0	0	0	111.5	E1686 E1693 E1694	E1686-V1690 WeakPolarHBondContact O-CB 3.48Å; E1686-V1690 WeakPolarHBondContact O-CG2 3.18Å; E1686-V1690 PolarHBondContact O-N 2.83Å; V1690-E1693 PolarHBondContact O-N 3.44Å; V1690-E1694 HydrophobicContact CG1-CG 4.46Å; V1690-E1694 WeakPolarHBondContact O-CB 3.4Å; V1690-E1694 PolarHBondContact O-N 2.68Å
1691	K	47.1	Very low	44.5	Very low	112 Å²	112	110.1 Å²	110.1	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-68.9	-36	170.7	-81.2	165.8	-178.9	161.3	0	112.5	E1687 E1695	E1687-K1691 HydrophobicContact CG-CD 4.27Å; E1687-K1691 WeakPolarHBondContact O-CB 3.22Å; E1687-K1691 WeakPolarHBondContact O-CD 3.28Å; E1687-K1691 WeakPolarHBondContact O-CG 3.49Å; E1687-K1691 PolarHBondContact O-N 3.47Å; E1687-K1691 IonicContact OE2-NZ 3.23Å; E1687-K1691 PolarHBondContact OE2-NZ 2.97Å; K1691-E1695 WeakPolarHBondContact O-CB 3.43Å; K1691-E1695 PolarHBondContact O-N 2.83Å
1692	K	42.1	Very low	44.9	Very low	115 Å²	115	110.5 Å²	110.5	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-70	-36.1	173.6	-74.9	168.5	-173.6	169.6	0	111.7	E1688 T1689 V1696	E1688-K1692 HydrophobicContact CG-CD 4.34Å; E1688-K1692 VanDerWaalsContact O-CB 3.31Å; E1688-K1692 WeakPolarHBondContact O-CB 3.25Å; E1688-K1692 VanDerWaalsContact O-CG 3.22Å; E1688-K1692 WeakPolarHBondContact O-CG 3.31Å; E1688-K1692 PolarHBondContact O-N 3.39Å; E1688-K1692 VanDerWaalsContact OE1-CE 3.26Å; E1688-K1692 WeakPolarHBondContact OE1-CE 3.4Å; E1688-K1692 IonicContact OE1-NZ 2.69Å; E1688-K1692 PolarHBondContact OE1-NZ 2.85Å; T1689-K1692 CarbonylContact O-C 3.52Å; T1689-K1692 PolarHBondContact O-N 2.98Å; K1692-V1696 VanDerWaalsContact O-CB 3.25Å; K1692-V1696 WeakPolarHBondContact O-CB 3.14Å; K1692-V1696 WeakPolarHBondContact O-CG2 3.43Å; K1692-V1696 PolarHBondContact O-N 3.24Å
1693	E	50.2	Low	44.9	Very low	138 Å²	138	114.3 Å²	114.3	65%	0.645	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-42.6	173.5	-73.9	-173.2	157.5	0	0	111.7	T1689 V1690 V1696 E1697	T1689-E1693 WeakPolarHBondContact O-CB 3.36Å; T1689-E1693 WeakPolarHBondContact O-CG 3.43Å; T1689-E1693 PolarHBondContact O-N 3.25Å; V1690-E1693 PolarHBondContact O-N 3.44Å; E1693-V1696 PolarHBondContact O-N 2.79Å; E1693-E1697 WeakPolarHBondContact O-CB 3.23Å; E1693-E1697 PolarHBondContact O-N 3.2Å
1694	E	47.7	Very low	45.1	Very low	134 Å²	134	116.4 Å²	116.4	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-38.8	171.1	-81.2	-158.5	127.3	0	0	111.8	V1690 E1697 R1698	V1690-E1694 HydrophobicContact CG1-CG 4.46Å; V1690-E1694 WeakPolarHBondContact O-CB 3.4Å; V1690-E1694 PolarHBondContact O-N 2.68Å; E1694-E1697 PolarHBondContact O-N 3.02Å; E1694-R1698 WeakPolarHBondContact O-CB 3Å; E1694-R1698 PolarHBondContact O-N 3.07Å
1695	E	42.9	Very low	45	Very low	104 Å²	104	112.4 Å²	112.4	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-69.6	-38.3	177.1	-166.3	-172.8	140.2	0	0	111.5	K1691 K1699	K1691-E1695 WeakPolarHBondContact O-CB 3.43Å; K1691-E1695 PolarHBondContact O-N 2.83Å; E1695-K1699 HydrophobicContact CG-CD 4.25Å; E1695-K1699 VanDerWaalsContact O-CB 3.23Å; E1695-K1699 WeakPolarHBondContact O-CB 3.22Å; E1695-K1699 VanDerWaalsContact O-CG 3.24Å; E1695-K1699 WeakPolarHBondContact O-CG 3.37Å; E1695-K1699 PolarHBondContact O-N 3.43Å; E1695-K1699 WeakPolarHBondContact OE1-CE 3.31Å; E1695-K1699 IonicContact OE1-NZ 2.63Å; E1695-K1699 PolarHBondContact OE1-NZ 3.48Å
1696	V	50.6	Low	44.7	Very low	70 Å²	70	110.1 Å²	110.1	42%	0.424	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-40.2	173.1	166.7	0	0	0	0	111.5	K1692 E1693 K1699 R1700	K1692-V1696 VanDerWaalsContact O-CB 3.25Å; K1692-V1696 WeakPolarHBondContact O-CB 3.14Å; K1692-V1696 WeakPolarHBondContact O-CG2 3.43Å; K1692-V1696 PolarHBondContact O-N 3.24Å; E1693-V1696 PolarHBondContact O-N 2.79Å; V1696-K1699 PolarHBondContact O-N 3.29Å; V1696-R1700 WeakPolarHBondContact O-CB 3.29Å; V1696-R1700 VanDerWaalsContact O-CG 3.29Å; V1696-R1700 WeakPolarHBondContact O-CG 3.1Å; V1696-R1700 PolarHBondContact O-N 2.81Å
1697	E	48.1	Very low	44.1	Very low	88 Å²	88	113.1 Å²	113.1	41%	0.411	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-35.5	176.2	-175.7	73.6	171	0	0	111.4	E1693 E1694 K1701	E1693-E1697 WeakPolarHBondContact O-CB 3.23Å; E1693-E1697 PolarHBondContact O-N 3.2Å; E1694-E1697 PolarHBondContact O-N 3.02Å; E1697-K1701 VanDerWaalsContact CD-NZ 3.34Å; E1697-K1701 HydrophobicContact CG-CD 4.28Å; E1697-K1701 VanDerWaalsContact CG-NZ 3.35Å; E1697-K1701 WeakPolarHBondContact O-CB 3.5Å; E1697-K1701 VanDerWaalsContact O-CG 3.3Å; E1697-K1701 WeakPolarHBondContact O-CG 3.46Å; E1697-K1701 PolarHBondContact O-N 3.39Å; E1697-K1701 WeakPolarHBondContact OE1-CE 3.4Å; E1697-K1701 IonicContact OE1-NZ 2.73Å; E1697-K1701 PolarHBondContact OE1-NZ 2.97Å
1698	R	46.5	Very low	43.5	Very low	156 Å²	156	110.9 Å²	110.9	59%	0.589	54%	0.541	S	S	*	.	H	α-helix	trans	-72.4	-43.2	173.9	-153.7	-163.2	94.5	167.4	15.7	111.1	E1694 K1701 E1702	E1694-R1698 WeakPolarHBondContact O-CB 3Å; E1694-R1698 PolarHBondContact O-N 3.07Å; R1698-K1701 CarbonylContact O-C 3.42Å; R1698-K1701 PolarHBondContact O-N 2.62Å; R1698-K1701 VanDerWaalsContact O-N 3.17Å; R1698-E1702 IonicContact CZ-OE1 3.8Å; R1698-E1702 IonicContact CZ-OE2 3.76Å; R1698-E1702 IonicContact NE-OE1 2.62Å; R1698-E1702 IonicContact NE-OE2 3.84Å; R1698-E1702 PolarHBondContact NE-OE2 2.75Å; R1698-E1702 VanDerWaalsContact NH2-CD 3.27Å; R1698-E1702 IonicContact NH2-OE1 2.61Å; R1698-E1702 PolarHBondContact NH2-OE1 3.2Å; R1698-E1702 IonicContact NH2-OE2 2.9Å; R1698-E1702 PolarHBondContact NH2-OE2 2.82Å; R1698-E1702 WeakPolarHBondContact O-CB 3.4Å; R1698-E1702 WeakPolarHBondContact O-CG 3.49Å; R1698-E1702 PolarHBondContact O-N 2.75Å
1699	K	45.2	Very low	42.9	Very low	109 Å²	109	111.9 Å²	111.9	47%	0.474	56%	0.555	S	S	.	*	H	α-helix	trans	-59.4	-45.6	172.9	-80.6	170.4	170.9	170.3	0	111.3	E1695 V1696 K1701 E1702 E1703	E1695-K1699 HydrophobicContact CG-CD 4.25Å; E1695-K1699 VanDerWaalsContact O-CB 3.23Å; E1695-K1699 WeakPolarHBondContact O-CB 3.22Å; E1695-K1699 VanDerWaalsContact O-CG 3.24Å; E1695-K1699 WeakPolarHBondContact O-CG 3.37Å; E1695-K1699 PolarHBondContact O-N 3.43Å; E1695-K1699 WeakPolarHBondContact OE1-CE 3.31Å; E1695-K1699 IonicContact OE1-NZ 2.63Å; E1695-K1699 PolarHBondContact OE1-NZ 3.48Å; V1696-K1699 PolarHBondContact O-N 3.29Å; K1699-K1701 PolarHBondContact O-N 3.21Å; K1699-E1702 CarbonylContact O-C 3.6Å; K1699-E1702 PolarHBondContact O-N 2.82Å; K1699-E1702 VanDerWaalsContact O-N 3.15Å; K1699-E1703 WeakPolarHBondContact O-CG 3.33Å; K1699-E1703 PolarHBondContact O-N 2.98Å
1700	R	49.2	Very low	42.1	Very low	156 Å²	156	119.9 Å²	119.9	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-60.2	-40.8	172.9	-77.1	174.5	172.7	174.9	-1.3	112.7	V1696 E1702 E1703 E1704	V1696-R1700 WeakPolarHBondContact O-CB 3.29Å; V1696-R1700 VanDerWaalsContact O-CG 3.29Å; V1696-R1700 WeakPolarHBondContact O-CG 3.1Å; V1696-R1700 PolarHBondContact O-N 2.81Å; R1700-E1702 VanDerWaalsContact C-N 3.33Å; R1700-E1703 PolarHBondContact O-N 2.96Å; R1700-E1704 VanDerWaalsContact O-CB 3.25Å; R1700-E1704 WeakPolarHBondContact O-CB 3.48Å; R1700-E1704 PolarHBondContact O-N 3.27Å
1701	K	45.1	Very low	41	Very low	96 Å²	96	120 Å²	120	42%	0.417	59%	0.592	S	S	.	*	H	α-helix	trans	-77.1	-14.2	176.5	-73.9	170	-173	162.1	0	114.5	E1697 R1698 K1699 K1705	E1697-K1701 VanDerWaalsContact CD-NZ 3.34Å; E1697-K1701 HydrophobicContact CG-CD 4.28Å; E1697-K1701 VanDerWaalsContact CG-NZ 3.35Å; E1697-K1701 WeakPolarHBondContact O-CB 3.5Å; E1697-K1701 VanDerWaalsContact O-CG 3.3Å; E1697-K1701 WeakPolarHBondContact O-CG 3.46Å; E1697-K1701 PolarHBondContact O-N 3.39Å; E1697-K1701 WeakPolarHBondContact OE1-CE 3.4Å; E1697-K1701 IonicContact OE1-NZ 2.73Å; E1697-K1701 PolarHBondContact OE1-NZ 2.97Å; R1698-K1701 CarbonylContact O-C 3.42Å; R1698-K1701 PolarHBondContact O-N 2.62Å; R1698-K1701 VanDerWaalsContact O-N 3.17Å; K1699-K1701 PolarHBondContact O-N 3.21Å; K1701-K1705 WeakPolarHBondContact O-CD 3.3Å; K1701-K1705 WeakPolarHBondContact O-CG 3.12Å
1702	E	46.7	Very low	40.1	Very low	94 Å²	94	121.5 Å²	121.5	44%	0.439	60%	0.6	S	S	.	*	H	α-helix	trans	-85.3	-41.6	167.2	-77	173.8	115.4	0	0	110.3	R1698 K1699 R1700 K1705 A1706	R1698-E1702 IonicContact CZ-OE1 3.8Å; R1698-E1702 IonicContact CZ-OE2 3.76Å; R1698-E1702 IonicContact NE-OE1 2.62Å; R1698-E1702 IonicContact NE-OE2 3.84Å; R1698-E1702 PolarHBondContact NE-OE2 2.75Å; R1698-E1702 VanDerWaalsContact NH2-CD 3.27Å; R1698-E1702 IonicContact NH2-OE1 2.61Å; R1698-E1702 PolarHBondContact NH2-OE1 3.2Å; R1698-E1702 IonicContact NH2-OE2 2.9Å; R1698-E1702 PolarHBondContact NH2-OE2 2.82Å; R1698-E1702 WeakPolarHBondContact O-CB 3.4Å; R1698-E1702 WeakPolarHBondContact O-CG 3.49Å; R1698-E1702 PolarHBondContact O-N 2.75Å; K1699-E1702 CarbonylContact O-C 3.6Å; K1699-E1702 PolarHBondContact O-N 2.82Å; K1699-E1702 VanDerWaalsContact O-N 3.15Å; R1700-E1702 VanDerWaalsContact C-N 3.33Å; E1702-K1705 PolarHBondContact O-N 2.71Å; E1702-A1706 WeakPolarHBondContact O-CB 3.25Å; E1702-A1706 PolarHBondContact O-N 3.2Å
1703	E	42.3	Very low	39.3	Very low	136 Å²	136	123.2 Å²	123.2	64%	0.636	61%	0.608	S	S	*	*	H	α-helix	trans	-61.7	-51.3	172.8	-73.9	-178.7	124.6	0	0	112.3	K1699 R1700 K1705 A1706 E1707	K1699-E1703 WeakPolarHBondContact O-CG 3.33Å; K1699-E1703 PolarHBondContact O-N 2.98Å; R1700-E1703 PolarHBondContact O-N 2.96Å; E1703-K1705 PolarHBondContact O-N 3.3Å; E1703-A1706 PolarHBondContact O-N 2.72Å; E1703-A1706 VanDerWaalsContact O-N 3.13Å; E1703-E1707 PolarHBondContact O-N 2.87Å
1704	E	44.4	Very low	38.8	Very low	168 Å²	168	121 Å²	121	79%	0.785	60%	0.604	S	S	*	*	H	α-helix	trans	-65	-7.7	-179.8	-161.5	177.6	-137	0	0	113.1	R1700	R1700-E1704 VanDerWaalsContact O-CB 3.25Å; R1700-E1704 WeakPolarHBondContact O-CB 3.48Å; R1700-E1704 PolarHBondContact O-N 3.27Å
1705	K	37	Very low	38.6	Very low	80 Å²	80	123 Å²	123	35%	0.348	61%	0.613	S	S	.	*	H	α-helix	trans	-110	-30.9	172	-68.1	179.7	-172.7	175.9	0	113.6	I922 N923 K1701 E1702 E1703 E1707 G1708	I922-K1705 HydrophobicContact CG2-CD 4.14Å; I922-K1705 WeakPolarHBondContact O-CE 3.44Å; I922-K1705 PolarHBondContact O-NZ 3.46Å; N923-K1705 PolarHBondContact OD1-NZ 2.74Å; K1701-K1705 WeakPolarHBondContact O-CD 3.3Å; K1701-K1705 WeakPolarHBondContact O-CG 3.12Å; E1702-K1705 PolarHBondContact O-N 2.71Å; E1703-K1705 PolarHBondContact O-N 3.3Å; K1705-E1707 VanDerWaalsContact C-N 3.32Å; K1705-E1707 PolarHBondContact O-N 2.76Å; K1705-G1708 PolarHBondContact O-N 3.48Å
1706	A	33.4	Very low	38.2	Very low	71 Å²	71	123 Å²	123	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-69	-28.1	178.2	0	0	0	0	0	112.7	E1702 E1703 G1708	E1702-A1706 WeakPolarHBondContact O-CB 3.25Å; E1702-A1706 PolarHBondContact O-N 3.2Å; E1703-A1706 PolarHBondContact O-N 2.72Å; E1703-A1706 VanDerWaalsContact O-N 3.13Å; A1706-G1708 PolarHBondContact O-N 2.84Å
1707	E	33	Very low	37.7	Very low	183 Å²	183	126 Å²	126	86%	0.855	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-9.8	174.9	-149.7	172.1	-155	0	0	113.2	E1703 K1705	E1703-E1707 PolarHBondContact O-N 2.87Å; K1705-E1707 VanDerWaalsContact C-N 3.32Å; K1705-E1707 PolarHBondContact O-N 2.76Å
1708	G	31.5	Very low	37.5	Very low	65 Å²	65	132.4 Å²	132.4	67%	0.67	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-10.8	-176.3	0	0	0	0	0	117.1	K1705 A1706	K1705-G1708 PolarHBondContact O-N 3.48Å; A1706-G1708 PolarHBondContact O-N 2.84Å
1709	T	27	Very low	37.2	Very low	121 Å²	121	133.8 Å²	133.8	74%	0.742	66%	0.658	S	S	*	*			trans	-131.1	50.8	-165.8	43.8	0	0	0	0	114.8
1710	R	26.1	Very low	37.2	Very low	249 Å²	249	133 Å²	133	94%	0.94	66%	0.656	S	S	*	*			trans	-100.5	86.7	179.6	-168.2	173.9	179.6	169.4	0.4	114.1
1711	G	25.4	Very low	37	Very low	75 Å²	75	132.1 Å²	132.1	77%	0.773	66%	0.659	S	S	*	*			trans	130.7	139.9	170.6	0	0	0	0	0	112.4
1712	E	27	Very low	36.9	Very low	144 Å²	144	135.5 Å²	135.5	67%	0.673	68%	0.676	S	S	*	*			cis	-124.2	-176.2	4.8	-117.9	-142.9	115.9	0	0	110.3
1713	K	25.8	Very low	36.9	Very low	150 Å²	150	134.6 Å²	134.6	65%	0.652	68%	0.677	S	S	*	*			cis	-142.3	155.6	20.2	-173.1	140.6	-160.4	71.1	0	113.2
1714	V	39.6	Very low	37.4	Very low	93 Å²	93	131 Å²	131	56%	0.564	66%	0.664	S	S	*	*			trans	-88.2	104.9	177.4	178.6	0	0	0	0	111.8	K1717	V1714-K1717 HydrophobicContact CG1-CB 4.45Å; V1714-K1717 HydrophobicContact CG1-CD 4.29Å; V1714-K1717 HydrophobicContact CG1-CG 4.46Å
1715	E	43.2	Very low	37.9	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	66%	0.657	S	S	*	*	S	Bend	trans	-149.3	-24.9	162.9	-158.9	115	-135.5	0	0	114.5	K1717	E1715-K1717 PolarHBondContact O-N 2.72Å
1716	T	35.6	Very low	38.4	Very low	103 Å²	103	133.4 Å²	133.4	63%	0.632	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-19.7	175.4	48.3	0	0	0	0	114.6	R1718 K1719	T1716-R1718 PolarHBondContact O-N 3.5Å; T1716-K1719 PolarHBondContact O-N 3.31Å
1717	K	39.9	Very low	39.1	Very low	133 Å²	133	135.9 Å²	135.9	58%	0.578	67%	0.671	S	S	*	*	H	α-helix	trans	-56.7	-7.9	-169.3	-79.6	-157.4	166.5	-160.2	0	117.5	V1714 E1715	V1714-K1717 HydrophobicContact CG1-CB 4.45Å; V1714-K1717 HydrophobicContact CG1-CD 4.29Å; V1714-K1717 HydrophobicContact CG1-CG 4.46Å; E1715-K1717 PolarHBondContact O-N 2.72Å
1718	R	42.9	Very low	40.3	Very low	224 Å²	224	132.8 Å²	132.8	85%	0.845	66%	0.657	S	S	*	*	H	α-helix	trans	-89.7	0.5	179.1	-97.9	-176.6	171	175.5	-2.2	115.9	T1716	T1716-R1718 PolarHBondContact O-N 3.5Å
1719	K	40.8	Very low	41.7	Very low	184 Å²	184	137.1 Å²	137.1	80%	0.8	66%	0.66	S	S	*	*	H	α-helix	trans	-114.2	-22.6	170.2	-71.5	-169.5	174.5	-174.3	0	113.9	T1716 E1721	T1716-K1719 PolarHBondContact O-N 3.31Å; K1719-E1721 VanDerWaalsContact C-N 3.32Å
1720	E	46	Very low	43	Very low	93 Å²	93	136.6 Å²	136.6	44%	0.435	65%	0.649	S	S	.	*	H	α-helix	trans	-70.1	-30.4	171.4	-66.5	157.5	174.5	0	0	111.4	E1722 T1723 V1724	E1720-E1722 PolarHBondContact O-N 2.83Å; E1720-E1722 VanDerWaalsContact O-N 3.09Å; E1720-T1723 PolarHBondContact O-N 3.43Å; E1720-T1723 VanDerWaalsContact O-N 3.1Å; E1720-T1723 PolarHBondContact O-OG1 3.28Å; E1720-V1724 WeakPolarHBondContact O-CB 2.99Å; E1720-V1724 VanDerWaalsContact O-CG2 3.25Å; E1720-V1724 WeakPolarHBondContact O-CG2 3.14Å; E1720-V1724 PolarHBondContact O-N 3.13Å
1721	E	44.9	Very low	44.6	Very low	138 Å²	138	128 Å²	128	65%	0.645	62%	0.624	S	S	*	*	H	α-helix	trans	-63.3	-18.3	-176.1	-157.8	167.1	-141.2	0	0	114.4	K1719	K1719-E1721 VanDerWaalsContact C-N 3.32Å
1722	E	43.3	Very low	46.4	Very low	166 Å²	166	128.7 Å²	128.7	78%	0.776	61%	0.607	S	S	*	*	H	α-helix	trans	-95.9	-24.1	175.3	-164.7	170.7	-142.2	0	0	113.2	E1720	E1720-E1722 PolarHBondContact O-N 2.83Å; E1720-E1722 VanDerWaalsContact O-N 3.09Å
1723	T	46.4	Very low	48	Very low	76 Å²	76	129.4 Å²	129.4	47%	0.466	60%	0.604	S	S	.	*	H	α-helix	trans	-80.5	-42.7	170.1	53.9	0	0	0	0	111.1	E1720 K1725 K1726 E1727	E1720-T1723 PolarHBondContact O-N 3.43Å; E1720-T1723 VanDerWaalsContact O-N 3.1Å; E1720-T1723 PolarHBondContact O-OG1 3.28Å; T1723-K1725 PolarHBondContact O-N 2.92Å; T1723-K1726 PolarHBondContact O-N 3.37Å; T1723-E1727 PolarHBondContact O-N 2.7Å; T1723-E1727 VanDerWaalsContact O-N 3.13Å
1724	V	51.5	Low	49.4	Very low	60 Å²	60	127.5 Å²	127.5	36%	0.364	60%	0.595	S	S	.	*	H	α-helix	trans	-54.8	-37.5	177.7	167.1	0	0	0	0	111.5	E1720 K1726 E1727 E1728	E1720-V1724 WeakPolarHBondContact O-CB 2.99Å; E1720-V1724 VanDerWaalsContact O-CG2 3.25Å; E1720-V1724 WeakPolarHBondContact O-CG2 3.14Å; E1720-V1724 PolarHBondContact O-N 3.13Å; V1724-K1726 VanDerWaalsContact C-N 3.32Å; V1724-K1726 PolarHBondContact O-N 3.3Å; V1724-E1727 CarbonylContact O-C 3.48Å; V1724-E1727 PolarHBondContact O-N 3.02Å; V1724-E1728 HydrophobicContact CG1-CG 4.1Å; V1724-E1728 WeakPolarHBondContact O-CB 3.4Å; V1724-E1728 WeakPolarHBondContact O-CG 3.05Å; V1724-E1728 PolarHBondContact O-N 3.32Å
1725	K	55.2	Low	50.3	Low	144 Å²	144	130.4 Å²	130.4	63%	0.626	60%	0.596	S	S	*	*	H	α-helix	trans	-62.2	-33.5	176.1	-92.7	-170.7	171.9	-174.3	0	114.8	T1723 E1729	T1723-K1725 PolarHBondContact O-N 2.92Å; K1725-E1729 PolarHBondContact O-N 2.76Å
1726	K	47.5	Very low	50.8	Low	155 Å²	155	126.9 Å²	126.9	67%	0.674	58%	0.578	S	S	*	*	H	α-helix	trans	-77.7	-37.4	176.8	-71.9	-175.9	174.7	179.6	0	111.3	T1723 V1724 E1728 E1729 E1730	T1723-K1726 PolarHBondContact O-N 3.37Å; V1724-K1726 VanDerWaalsContact C-N 3.32Å; V1724-K1726 PolarHBondContact O-N 3.3Å; K1726-E1728 VanDerWaalsContact C-N 3.33Å; K1726-E1729 PolarHBondContact O-N 2.86Å; K1726-E1730 PolarHBondContact O-N 2.67Å; K1726-E1730 VanDerWaalsContact O-N 3.07Å
1727	E	49.8	Very low	51.8	Low	122 Å²	122	126.9 Å²	126.9	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-67	-35.4	172.4	-66.3	177.5	162.7	0	0	111.2	T1723 V1724 E1730 V1731	T1723-E1727 PolarHBondContact O-N 2.7Å; T1723-E1727 VanDerWaalsContact O-N 3.13Å; V1724-E1727 CarbonylContact O-C 3.48Å; V1724-E1727 PolarHBondContact O-N 3.02Å; E1727-E1730 PolarHBondContact O-N 2.68Å; E1727-V1731 VanDerWaalsContact O-CB 3.23Å; E1727-V1731 WeakPolarHBondContact O-CB 3.1Å; E1727-V1731 WeakPolarHBondContact O-CG2 3.27Å; E1727-V1731 PolarHBondContact O-N 3.28Å
1728	E	57.6	Low	52.3	Low	119 Å²	119	126.7 Å²	126.7	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-63.8	-43.9	172.2	-81	-174.7	145.3	0	0	112.1	V1724 K1726 V1731 E1732	V1724-E1728 HydrophobicContact CG1-CG 4.1Å; V1724-E1728 WeakPolarHBondContact O-CB 3.4Å; V1724-E1728 WeakPolarHBondContact O-CG 3.05Å; V1724-E1728 PolarHBondContact O-N 3.32Å; K1726-E1728 VanDerWaalsContact C-N 3.33Å; E1728-V1731 PolarHBondContact O-N 3.01Å; E1728-E1732 WeakPolarHBondContact O-CB 3.41Å; E1728-E1732 PolarHBondContact O-N 2.62Å
1729	E	61	Low	52.8	Low	155 Å²	155	122.3 Å²	122.3	72%	0.724	56%	0.561	S	S	*	*	H	α-helix	trans	-63.9	-39.1	173.8	-80.4	-166.7	126.6	0	0	112.3	K1725 K1726 R1733	K1725-E1729 PolarHBondContact O-N 2.76Å; K1726-E1729 PolarHBondContact O-N 2.86Å; E1729-R1733 WeakPolarHBondContact O-CB 3.31Å; E1729-R1733 PolarHBondContact O-N 3.35Å
1730	E	53.1	Low	53.1	Low	110 Å²	110	120.7 Å²	120.7	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-70.6	-39	177.4	-163.4	-179.3	137.2	0	0	112.2	K1726 E1727 R1733 K1734	K1726-E1730 PolarHBondContact O-N 2.67Å; K1726-E1730 VanDerWaalsContact O-N 3.07Å; E1727-E1730 PolarHBondContact O-N 2.68Å; E1730-R1733 PolarHBondContact O-N 2.7Å; E1730-K1734 WeakPolarHBondContact O-CB 2.99Å; E1730-K1734 WeakPolarHBondContact O-CG 3.43Å; E1730-K1734 PolarHBondContact O-N 2.74Å; E1730-K1734 WeakPolarHBondContact OE1-CE 3.36Å; E1730-K1734 IonicContact OE1-NZ 3.36Å; E1730-K1734 PolarHBondContact OE1-NZ 3.44Å
1731	V	61.2	Low	53.2	Low	69 Å²	69	118.9 Å²	118.9	42%	0.418	56%	0.555	S	S	.	*	H	α-helix	trans	-69.7	-38.2	175.3	167.8	0	0	0	0	111.4	E1727 E1728 R1733 K1734 R1735	E1727-V1731 VanDerWaalsContact O-CB 3.23Å; E1727-V1731 WeakPolarHBondContact O-CB 3.1Å; E1727-V1731 WeakPolarHBondContact O-CG2 3.27Å; E1727-V1731 PolarHBondContact O-N 3.28Å; E1728-V1731 PolarHBondContact O-N 3.01Å; V1731-R1733 VanDerWaalsContact C-N 3.32Å; V1731-K1734 PolarHBondContact O-N 2.67Å; V1731-R1735 HydrophobicContact CG1-CG 4.45Å; V1731-R1735 VanDerWaalsContact O-CB 3.28Å; V1731-R1735 WeakPolarHBondContact O-CB 3.32Å; V1731-R1735 VanDerWaalsContact O-CG 3.3Å; V1731-R1735 WeakPolarHBondContact O-CG 3.37Å; V1731-R1735 PolarHBondContact O-N 3.37Å
1732	E	62.2	Low	53.6	Low	89 Å²	89	119.1 Å²	119.1	42%	0.416	56%	0.556	S	S	.	*	H	α-helix	trans	-65.6	-35.8	173.8	-177.2	71.6	178.1	0	0	111.3	E1728 K1736	E1728-E1732 WeakPolarHBondContact O-CB 3.41Å; E1728-E1732 PolarHBondContact O-N 2.62Å; E1732-K1736 WeakPolarHBondContact O-CG 3.31Å; E1732-K1736 PolarHBondContact O-N 2.77Å; E1732-K1736 VanDerWaalsContact O-N 3.15Å; E1732-K1736 WeakPolarHBondContact OE1-CE 3.18Å; E1732-K1736 IonicContact OE1-NZ 2.87Å; E1732-K1736 PolarHBondContact OE1-NZ 3.44Å
1733	R	60.6	Low	53.6	Low	160 Å²	160	114.5 Å²	114.5	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-69.7	-47.3	173.7	-145.6	-160.6	89.1	169.8	11.7	111.7	E1729 E1730 V1731 R1735 K1736 E1737	E1729-R1733 WeakPolarHBondContact O-CB 3.31Å; E1729-R1733 PolarHBondContact O-N 3.35Å; E1730-R1733 PolarHBondContact O-N 2.7Å; V1731-R1733 VanDerWaalsContact C-N 3.32Å; R1733-R1735 VanDerWaalsContact C-N 3.33Å; R1733-R1735 PolarHBondContact O-N 2.74Å; R1733-K1736 PolarHBondContact O-N 3.49Å; R1733-K1736 VanDerWaalsContact O-N 3.09Å; R1733-E1737 IonicContact CZ-OE1 2.81Å; R1733-E1737 IonicContact CZ-OE2 3.24Å; R1733-E1737 VanDerWaalsContact CZ-OE2 3.25Å; R1733-E1737 IonicContact NE-OE1 2.61Å; R1733-E1737 IonicContact NE-OE2 3.2Å; R1733-E1737 PolarHBondContact NE-OE2 2.69Å; R1733-E1737 VanDerWaalsContact NH2-CD 3.29Å; R1733-E1737 IonicContact NH2-OE1 2.64Å; R1733-E1737 PolarHBondContact NH2-OE1 3.42Å; R1733-E1737 IonicContact NH2-OE2 2.79Å; R1733-E1737 PolarHBondContact NH2-OE2 3.02Å; R1733-E1737 PolarHBondContact O-N 2.64Å
1734	K	55.4	Low	53.5	Low	109 Å²	109	114.6 Å²	114.6	47%	0.474	54%	0.543	S	S	.	.	H	α-helix	trans	-58.6	-43.9	174.7	-75.9	173	-173.9	168.4	0	111.2	E1730 V1731 K1736 E1737 E1738	E1730-K1734 WeakPolarHBondContact O-CB 2.99Å; E1730-K1734 WeakPolarHBondContact O-CG 3.43Å; E1730-K1734 PolarHBondContact O-N 2.74Å; E1730-K1734 WeakPolarHBondContact OE1-CE 3.36Å; E1730-K1734 IonicContact OE1-NZ 3.36Å; E1730-K1734 PolarHBondContact OE1-NZ 3.44Å; V1731-K1734 PolarHBondContact O-N 2.67Å; K1734-K1736 VanDerWaalsContact C-N 3.31Å; K1734-K1736 PolarHBondContact O-N 3.29Å; K1734-E1737 CarbonylContact O-C 3.58Å; K1734-E1737 PolarHBondContact O-N 2.65Å; K1734-E1737 VanDerWaalsContact O-N 3.12Å; K1734-E1738 WeakPolarHBondContact O-CB 2.92Å; K1734-E1738 PolarHBondContact O-N 2.75Å
1735	R	59.1	Low	53.1	Low	154 Å²	154	120.8 Å²	120.8	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-57.6	-38.5	173.4	-82.8	177.2	169.8	175.6	-2.7	112.9	V1731 R1733 E1738 E1739	V1731-R1735 HydrophobicContact CG1-CG 4.45Å; V1731-R1735 VanDerWaalsContact O-CB 3.28Å; V1731-R1735 WeakPolarHBondContact O-CB 3.32Å; V1731-R1735 VanDerWaalsContact O-CG 3.3Å; V1731-R1735 WeakPolarHBondContact O-CG 3.37Å; V1731-R1735 PolarHBondContact O-N 3.37Å; R1733-R1735 VanDerWaalsContact C-N 3.33Å; R1733-R1735 PolarHBondContact O-N 2.74Å; R1735-E1738 PolarHBondContact O-N 3.22Å; R1735-E1739 WeakPolarHBondContact O-CA 3.21Å; R1735-E1739 WeakPolarHBondContact O-CB 3.47Å; R1735-E1739 PolarHBondContact O-N 2.79Å
1736	K	53.5	Low	52.3	Low	102 Å²	102	115.5 Å²	115.5	44%	0.443	55%	0.546	S	S	.	.	H	α-helix	trans	-78.6	-19.8	177.6	-74.2	167.7	-173.7	160	0	114.1	E1732 R1733 K1734 K1740	E1732-K1736 WeakPolarHBondContact O-CG 3.31Å; E1732-K1736 PolarHBondContact O-N 2.77Å; E1732-K1736 VanDerWaalsContact O-N 3.15Å; E1732-K1736 WeakPolarHBondContact OE1-CE 3.18Å; E1732-K1736 IonicContact OE1-NZ 2.87Å; E1732-K1736 PolarHBondContact OE1-NZ 3.44Å; R1733-K1736 PolarHBondContact O-N 3.49Å; R1733-K1736 VanDerWaalsContact O-N 3.09Å; K1734-K1736 VanDerWaalsContact C-N 3.31Å; K1734-K1736 PolarHBondContact O-N 3.29Å; K1736-K1740 WeakPolarHBondContact O-CG 3.12Å
1737	E	56.7	Low	52.3	Low	102 Å²	102	114.9 Å²	114.9	48%	0.477	55%	0.545	S	S	.	.	H	α-helix	trans	-81.8	-37	168.5	-70.4	173.2	117.1	0	0	110.6	R1733 K1734 K1740 A1741	R1733-E1737 IonicContact CZ-OE1 2.81Å; R1733-E1737 IonicContact CZ-OE2 3.24Å; R1733-E1737 VanDerWaalsContact CZ-OE2 3.25Å; R1733-E1737 IonicContact NE-OE1 2.61Å; R1733-E1737 IonicContact NE-OE2 3.2Å; R1733-E1737 PolarHBondContact NE-OE2 2.69Å; R1733-E1737 VanDerWaalsContact NH2-CD 3.29Å; R1733-E1737 IonicContact NH2-OE1 2.64Å; R1733-E1737 PolarHBondContact NH2-OE1 3.42Å; R1733-E1737 IonicContact NH2-OE2 2.79Å; R1733-E1737 PolarHBondContact NH2-OE2 3.02Å; R1733-E1737 PolarHBondContact O-N 2.64Å; K1734-E1737 CarbonylContact O-C 3.58Å; K1734-E1737 PolarHBondContact O-N 2.65Å; K1734-E1737 VanDerWaalsContact O-N 3.12Å; E1737-K1740 PolarHBondContact O-N 2.71Å; E1737-A1741 WeakPolarHBondContact O-CB 3.5Å; E1737-A1741 PolarHBondContact O-N 3.35Å
1738	E	50	Low	51.8	Low	129 Å²	129	116.2 Å²	116.2	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-75.8	-40.3	178.8	-169.5	164.3	-130.1	0	0	112.7	K1734 R1735 K1740 A1741 E1742	K1734-E1738 WeakPolarHBondContact O-CB 2.92Å; K1734-E1738 PolarHBondContact O-N 2.75Å; R1735-E1738 PolarHBondContact O-N 3.22Å; E1738-K1740 VanDerWaalsContact C-N 3.27Å; E1738-K1740 PolarHBondContact O-N 3.38Å; E1738-A1741 CarbonylContact O-C 3.25Å; E1738-A1741 PolarHBondContact O-N 2.78Å; E1738-A1741 VanDerWaalsContact O-N 3.16Å; E1738-E1742 VanDerWaalsContact O-CB 3.26Å; E1738-E1742 WeakPolarHBondContact O-CB 3.31Å; E1738-E1742 PolarHBondContact O-N 2.76Å
1739	E	54	Low	51.5	Low	133 Å²	133	114 Å²	114	62%	0.621	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-31.3	171.6	-176.9	178.2	-126.4	0	0	111	R1735 S1743	R1735-E1739 WeakPolarHBondContact O-CA 3.21Å; R1735-E1739 WeakPolarHBondContact O-CB 3.47Å; R1735-E1739 PolarHBondContact O-N 2.79Å; E1739-S1743 VanDerWaalsContact O-CB 3.29Å; E1739-S1743 WeakPolarHBondContact O-CB 3.5Å; E1739-S1743 PolarHBondContact O-N 3.35Å; E1739-S1743 PolarHBondContact O-OG 3.26Å
1740	K	47.2	Very low	50.9	Low	150 Å²	150	110.9 Å²	110.9	65%	0.652	53%	0.529	S	S	*	.	H	α-helix	trans	-72	-44.1	168.7	-79.8	-178.7	175.6	-175	0	112.3	K1736 E1737 E1738 E1742 S1743 T1744	K1736-K1740 WeakPolarHBondContact O-CG 3.12Å; E1737-K1740 PolarHBondContact O-N 2.71Å; E1738-K1740 VanDerWaalsContact C-N 3.27Å; E1738-K1740 PolarHBondContact O-N 3.38Å; K1740-E1742 VanDerWaalsContact C-N 3.27Å; K1740-E1742 PolarHBondContact O-N 2.91Å; K1740-S1743 WeakPolarHBondContact CA-OG 3.19Å; K1740-S1743 PolarHBondContact O-N 3.29Å; K1740-S1743 PolarHBondContact O-OG 2.82Å; K1740-T1744 PolarHBondContact O-N 3.49Å; K1740-T1744 PolarHBondContact O-OG1 2.81Å
1741	A	47.4	Very low	50.6	Low	54 Å²	54	108.1 Å²	108.1	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-34	173.8	0	0	0	0	0	112.2	E1737 E1738 T1744 R1745	E1737-A1741 WeakPolarHBondContact O-CB 3.5Å; E1737-A1741 PolarHBondContact O-N 3.35Å; E1738-A1741 CarbonylContact O-C 3.25Å; E1738-A1741 PolarHBondContact O-N 2.78Å; E1738-A1741 VanDerWaalsContact O-N 3.16Å; A1741-T1744 PolarHBondContact O-OG1 3.34Å; A1741-R1745 WeakPolarHBondContact O-CB 3.36Å; A1741-R1745 PolarHBondContact O-N 3.33Å
1742	E	52.6	Low	49.9	Very low	143 Å²	143	110.9 Å²	110.9	67%	0.668	53%	0.529	S	S	*	.	H	α-helix	trans	-81.4	-31.2	177.5	-172.2	159.8	-135.1	0	0	112	E1738 K1740 G1746	E1738-E1742 VanDerWaalsContact O-CB 3.26Å; E1738-E1742 WeakPolarHBondContact O-CB 3.31Å; E1738-E1742 PolarHBondContact O-N 2.76Å; K1740-E1742 VanDerWaalsContact C-N 3.27Å; K1740-E1742 PolarHBondContact O-N 2.91Å; E1742-G1746 WeakPolarHBondContact O-CA 3.39Å; E1742-G1746 PolarHBondContact O-N 3.06Å
1743	S	44.3	Very low	49.3	Very low	70 Å²	70	113.8 Å²	113.8	49%	0.49	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-44.5	168.3	69.8	0	0	0	0	111.7	E1739 K1740 G1746 E1747	E1739-S1743 VanDerWaalsContact O-CB 3.29Å; E1739-S1743 WeakPolarHBondContact O-CB 3.5Å; E1739-S1743 PolarHBondContact O-N 3.35Å; E1739-S1743 PolarHBondContact O-OG 3.26Å; K1740-S1743 WeakPolarHBondContact CA-OG 3.19Å; K1740-S1743 PolarHBondContact O-N 3.29Å; K1740-S1743 PolarHBondContact O-OG 2.82Å; S1743-G1746 PolarHBondContact O-N 2.85Å; S1743-E1747 VanDerWaalsContact O-CB 3.28Å; S1743-E1747 WeakPolarHBondContact O-CB 3.1Å; S1743-E1747 PolarHBondContact O-N 3.47Å
1744	T	44.6	Very low	48.9	Very low	78 Å²	78	112.4 Å²	112.4	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-76.9	-32.4	179.6	48.4	0	0	0	0	113.4	K1740 A1741 K1748	K1740-T1744 PolarHBondContact O-N 3.49Å; K1740-T1744 PolarHBondContact O-OG1 2.81Å; A1741-T1744 PolarHBondContact O-OG1 3.34Å; T1744-K1748 WeakPolarHBondContact O-CB 3.22Å; T1744-K1748 PolarHBondContact O-N 2.72Å; T1744-K1748 VanDerWaalsContact O-N 3.12Å
1745	R	42	Very low	48.9	Very low	190 Å²	190	111.7 Å²	111.7	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-72.1	-35.6	169.1	-173	178	-169.6	166.8	3.5	111.3	A1741 K1748 V1749	A1741-R1745 WeakPolarHBondContact O-CB 3.36Å; A1741-R1745 PolarHBondContact O-N 3.33Å; R1745-K1748 CarbonylContact O-C 3.6Å; R1745-K1748 PolarHBondContact O-N 2.62Å; R1745-V1749 WeakPolarHBondContact O-CB 3.46Å; R1745-V1749 VanDerWaalsContact O-CG2 3.27Å; R1745-V1749 WeakPolarHBondContact O-CG2 3.38Å; R1745-V1749 PolarHBondContact O-N 3.31Å
1746	G	39.3	Very low	48.7	Very low	33 Å²	33	110.3 Å²	110.3	34%	0.34	53%	0.532	S	S	.	.	H	α-helix	trans	-61.2	-54.2	172.9	0	0	0	0	0	110.4	E1742 S1743 K1748 V1749 E1750	E1742-G1746 WeakPolarHBondContact O-CA 3.39Å; E1742-G1746 PolarHBondContact O-N 3.06Å; S1743-G1746 PolarHBondContact O-N 2.85Å; G1746-K1748 VanDerWaalsContact C-N 3.26Å; G1746-K1748 PolarHBondContact O-N 3.22Å; G1746-V1749 CarbonylContact O-C 3.6Å; G1746-V1749 PolarHBondContact O-N 3.49Å; G1746-E1750 VanDerWaalsContact O-CB 3.23Å; G1746-E1750 WeakPolarHBondContact O-CB 3.47Å; G1746-E1750 PolarHBondContact O-N 2.98Å
1747	E	47.2	Very low	48.9	Very low	141 Å²	141	110.5 Å²	110.5	66%	0.659	54%	0.535	S	S	*	.	H	α-helix	trans	-53	-40.3	173.2	-173.2	172.9	-125.3	0	0	112.5	S1743 S1751	S1743-E1747 VanDerWaalsContact O-CB 3.28Å; S1743-E1747 WeakPolarHBondContact O-CB 3.1Å; S1743-E1747 PolarHBondContact O-N 3.47Å; E1747-S1751 WeakPolarHBondContact O-CB 3.43Å; E1747-S1751 PolarHBondContact O-N 3.43Å
1748	K	39.7	Very low	49	Very low	150 Å²	150	109.2 Å²	109.2	65%	0.652	53%	0.534	S	S	*	.	H	α-helix	trans	-78.8	-18.9	176.9	-166.9	169.4	-175.1	173.8	0	115.1	T1744 R1745 G1746 S1751	T1744-K1748 WeakPolarHBondContact O-CB 3.22Å; T1744-K1748 PolarHBondContact O-N 2.72Å; T1744-K1748 VanDerWaalsContact O-N 3.12Å; R1745-K1748 CarbonylContact O-C 3.6Å; R1745-K1748 PolarHBondContact O-N 2.62Å; G1746-K1748 VanDerWaalsContact C-N 3.26Å; G1746-K1748 PolarHBondContact O-N 3.22Å; K1748-S1751 PolarHBondContact O-OG 2.81Å
1749	V	51	Low	49.8	Very low	72 Å²	72	106.8 Å²	106.8	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-87	-34.3	170.1	165.9	0	0	0	0	110.1	R1745 G1746 K1752 R1753	R1745-V1749 WeakPolarHBondContact O-CB 3.46Å; R1745-V1749 VanDerWaalsContact O-CG2 3.27Å; R1745-V1749 WeakPolarHBondContact O-CG2 3.38Å; R1745-V1749 PolarHBondContact O-N 3.31Å; G1746-V1749 CarbonylContact O-C 3.6Å; G1746-V1749 PolarHBondContact O-N 3.49Å; V1749-K1752 PolarHBondContact O-N 2.87Å; V1749-R1753 WeakPolarHBondContact O-CB 3.49Å; V1749-R1753 VanDerWaalsContact O-CG 3.31Å; V1749-R1753 WeakPolarHBondContact O-CG 3.24Å; V1749-R1753 PolarHBondContact O-N 3.13Å
1750	E	47.2	Very low	50.2	Low	90 Å²	90	106.2 Å²	106.2	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-73	-36.6	176.5	-160.4	68.1	-177.3	0	0	110.9	G1746 R1753 K1754	G1746-E1750 VanDerWaalsContact O-CB 3.23Å; G1746-E1750 WeakPolarHBondContact O-CB 3.47Å; G1746-E1750 PolarHBondContact O-N 2.98Å; E1750-R1753 PolarHBondContact O-N 2.97Å; E1750-R1753 IonicContact OE2-NH1 2.94Å; E1750-K1754 WeakPolarHBondContact O-CB 3.24Å; E1750-K1754 VanDerWaalsContact O-CG 3.25Å; E1750-K1754 WeakPolarHBondContact O-CG 3.24Å; E1750-K1754 PolarHBondContact O-N 3.49Å
1751	S	47.8	Very low	51	Low	52 Å²	52	104.6 Å²	104.6	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-47.1	168.9	77.8	0	0	0	0	110.7	E1747 K1748 R1753 K1754 E1755	E1747-S1751 WeakPolarHBondContact O-CB 3.43Å; E1747-S1751 PolarHBondContact O-N 3.43Å; K1748-S1751 PolarHBondContact O-OG 2.81Å; S1751-R1753 VanDerWaalsContact C-N 3.34Å; S1751-R1753 PolarHBondContact O-N 3.17Å; S1751-K1754 WeakPolarHBondContact O-CB 3.18Å; S1751-K1754 PolarHBondContact O-N 2.83Å; S1751-E1755 WeakPolarHBondContact O-CG 3.33Å; S1751-E1755 PolarHBondContact O-N 2.87Å
1752	K	47.1	Very low	51.8	Low	128 Å²	128	108 Å²	108	56%	0.557	52%	0.523	S	S	*	.	H	α-helix	trans	-65.9	-31.4	176.3	-83.5	-171.1	167.2	-64.6	0	114.1	V1749 E1755 E1756	V1749-K1752 PolarHBondContact O-N 2.87Å; K1752-E1755 WeakPolarHBondContact CA-OE2 3.23Å; K1752-E1755 WeakPolarHBondContact CG-OE2 3.29Å; K1752-E1756 WeakPolarHBondContact O-CB 3.42Å; K1752-E1756 PolarHBondContact O-N 3.42Å
1753	R	49.6	Very low	52.3	Low	150 Å²	150	105.9 Å²	105.9	57%	0.566	51%	0.513	S	S	*	.	H	α-helix	trans	-72.6	-37	171.7	-81.4	174.1	164.8	-174.9	-5	112.1	V1749 E1750 S1751 E1756 E1757	V1749-R1753 WeakPolarHBondContact O-CB 3.49Å; V1749-R1753 VanDerWaalsContact O-CG 3.31Å; V1749-R1753 WeakPolarHBondContact O-CG 3.24Å; V1749-R1753 PolarHBondContact O-N 3.13Å; E1750-R1753 PolarHBondContact O-N 2.97Å; E1750-R1753 IonicContact OE2-NH1 2.94Å; S1751-R1753 VanDerWaalsContact C-N 3.34Å; S1751-R1753 PolarHBondContact O-N 3.17Å; R1753-E1756 PolarHBondContact O-N 2.85Å; R1753-E1757 WeakPolarHBondContact O-CB 3.28Å; R1753-E1757 WeakPolarHBondContact O-CG 3.27Å; R1753-E1757 PolarHBondContact O-N 3.15Å
1754	K	52.3	Low	53.4	Low	130 Å²	130	109.6 Å²	109.6	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-41.8	172.1	-74.7	172.6	178.5	-176	0	110.6	E1750 S1751 E1757 T1758	E1750-K1754 WeakPolarHBondContact O-CB 3.24Å; E1750-K1754 VanDerWaalsContact O-CG 3.25Å; E1750-K1754 WeakPolarHBondContact O-CG 3.24Å; E1750-K1754 PolarHBondContact O-N 3.49Å; S1751-K1754 WeakPolarHBondContact O-CB 3.18Å; S1751-K1754 PolarHBondContact O-N 2.83Å; K1754-E1757 PolarHBondContact O-N 2.8Å; K1754-T1758 WeakPolarHBondContact O-CG2 3.47Å; K1754-T1758 PolarHBondContact O-N 2.76Å; K1754-T1758 PolarHBondContact O-OG1 3.43Å; K1754-T1758 VanDerWaalsContact O-OG1 3.12Å
1755	E	53.6	Low	54.4	Low	94 Å²	94	110.6 Å²	110.6	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-49.3	170.4	-71.5	166.6	166.4	0	0	111.9	S1751 K1752 E1757 T1758 V1759	S1751-E1755 WeakPolarHBondContact O-CG 3.33Å; S1751-E1755 PolarHBondContact O-N 2.87Å; K1752-E1755 WeakPolarHBondContact CA-OE2 3.23Å; K1752-E1755 WeakPolarHBondContact CG-OE2 3.29Å; E1755-E1757 VanDerWaalsContact C-N 3.27Å; E1755-E1757 PolarHBondContact O-N 2.79Å; E1755-T1758 WeakPolarHBondContact CA-OG1 3.25Å; E1755-T1758 PolarHBondContact O-N 3.36Å; E1755-T1758 PolarHBondContact O-OG1 2.61Å; E1755-T1758 VanDerWaalsContact O-OG1 3.1Å; E1755-V1759 WeakPolarHBondContact O-CB 3.3Å; E1755-V1759 VanDerWaalsContact O-CG2 3.29Å; E1755-V1759 WeakPolarHBondContact O-CG2 3.32Å; E1755-V1759 PolarHBondContact O-N 2.76Å
1756	E	55.8	Low	55.6	Low	125 Å²	125	105.2 Å²	105.2	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-29.9	175.2	-80	-161.9	147.2	0	0	113	K1752 R1753 K1760	K1752-E1756 WeakPolarHBondContact O-CB 3.42Å; K1752-E1756 PolarHBondContact O-N 3.42Å; R1753-E1756 PolarHBondContact O-N 2.85Å; E1756-K1760 VanDerWaalsContact O-CB 3.28Å; E1756-K1760 WeakPolarHBondContact O-CB 3.12Å; E1756-K1760 WeakPolarHBondContact O-CD 3.13Å; E1756-K1760 WeakPolarHBondContact O-CG 3.15Å; E1756-K1760 PolarHBondContact O-N 3.48Å; E1756-K1760 VanDerWaalsContact O-N 3.13Å
1757	E	57.1	Low	56.7	Low	106 Å²	106	107.6 Å²	107.6	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-75	-42.4	173	-86.6	-142.7	148.3	0	0	112.7	R1753 K1754 E1755 K1760 K1761	R1753-E1757 WeakPolarHBondContact O-CB 3.28Å; R1753-E1757 WeakPolarHBondContact O-CG 3.27Å; R1753-E1757 PolarHBondContact O-N 3.15Å; K1754-E1757 PolarHBondContact O-N 2.8Å; E1755-E1757 VanDerWaalsContact C-N 3.27Å; E1755-E1757 PolarHBondContact O-N 2.79Å; E1757-K1760 PolarHBondContact O-N 2.67Å; E1757-K1761 VanDerWaalsContact O-CB 3.3Å; E1757-K1761 WeakPolarHBondContact O-CB 3.13Å; E1757-K1761 WeakPolarHBondContact O-CD 3.29Å; E1757-K1761 WeakPolarHBondContact O-CG 3.37Å; E1757-K1761 PolarHBondContact O-N 3.03Å; E1757-K1761 IonicContact OE2-NZ 2.65Å; E1757-K1761 PolarHBondContact OE2-NZ 2.73Å
1758	T	58.6	Low	57.7	Low	75 Å²	75	108.7 Å²	108.7	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-45.1	178.1	51	0	0	0	0	110.1	K1754 E1755 K1760 K1761 E1762	K1754-T1758 WeakPolarHBondContact O-CG2 3.47Å; K1754-T1758 PolarHBondContact O-N 2.76Å; K1754-T1758 PolarHBondContact O-OG1 3.43Å; K1754-T1758 VanDerWaalsContact O-OG1 3.12Å; E1755-T1758 WeakPolarHBondContact CA-OG1 3.25Å; E1755-T1758 PolarHBondContact O-N 3.36Å; E1755-T1758 PolarHBondContact O-OG1 2.61Å; E1755-T1758 VanDerWaalsContact O-OG1 3.1Å; T1758-K1760 VanDerWaalsContact C-N 3.31Å; T1758-K1760 PolarHBondContact O-N 3.39Å; T1758-K1761 PolarHBondContact O-N 2.99Å; T1758-K1761 VanDerWaalsContact O-N 3.16Å; T1758-E1762 WeakPolarHBondContact O-CB 3.49Å; T1758-E1762 WeakPolarHBondContact O-CG 3.11Å; T1758-E1762 PolarHBondContact O-N 3.28Å
1759	V	67.2	Low	58.9	Low	78 Å²	78	106.2 Å²	106.2	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-39	174.5	173.8	0	0	0	0	111.5	E1755 E1763	E1755-V1759 WeakPolarHBondContact O-CB 3.3Å; E1755-V1759 VanDerWaalsContact O-CG2 3.29Å; E1755-V1759 WeakPolarHBondContact O-CG2 3.32Å; E1755-V1759 PolarHBondContact O-N 2.76Å; V1759-E1763 WeakPolarHBondContact O-CB 3.07Å; V1759-E1763 PolarHBondContact O-N 2.69Å
1760	K	62.1	Low	59.7	Low	121 Å²	121	110 Å²	110	53%	0.526	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-41.5	172.8	-82.3	171.1	-175.6	148.8	0	113.2	E1756 E1757 T1758 E1762 E1763 E1764	E1756-K1760 VanDerWaalsContact O-CB 3.28Å; E1756-K1760 WeakPolarHBondContact O-CB 3.12Å; E1756-K1760 WeakPolarHBondContact O-CD 3.13Å; E1756-K1760 WeakPolarHBondContact O-CG 3.15Å; E1756-K1760 PolarHBondContact O-N 3.48Å; E1756-K1760 VanDerWaalsContact O-N 3.13Å; E1757-K1760 PolarHBondContact O-N 2.67Å; T1758-K1760 VanDerWaalsContact C-N 3.31Å; T1758-K1760 PolarHBondContact O-N 3.39Å; K1760-E1762 VanDerWaalsContact C-N 3.32Å; K1760-E1763 PolarHBondContact O-N 2.74Å; K1760-E1764 WeakPolarHBondContact O-CB 3.07Å; K1760-E1764 WeakPolarHBondContact O-CG 3.49Å; K1760-E1764 PolarHBondContact O-N 2.82Å
1761	K	63.7	Low	60.5	Low	116 Å²	116	110.2 Å²	110.2	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-39.6	177.2	-76.4	161.3	178.2	164.4	0	110.6	E1757 T1758 E1765	E1757-K1761 VanDerWaalsContact O-CB 3.3Å; E1757-K1761 WeakPolarHBondContact O-CB 3.13Å; E1757-K1761 WeakPolarHBondContact O-CD 3.29Å; E1757-K1761 WeakPolarHBondContact O-CG 3.37Å; E1757-K1761 PolarHBondContact O-N 3.03Å; E1757-K1761 IonicContact OE2-NZ 2.65Å; E1757-K1761 PolarHBondContact OE2-NZ 2.73Å; T1758-K1761 PolarHBondContact O-N 2.99Å; T1758-K1761 VanDerWaalsContact O-N 3.16Å; K1761-E1765 VanDerWaalsContact O-CB 3.3Å; K1761-E1765 WeakPolarHBondContact O-CB 3.36Å; K1761-E1765 PolarHBondContact O-N 3.32Å
1762	E	64.4	Low	61.5	Low	127 Å²	127	109.9 Å²	109.9	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-68.9	-43.3	173.6	-72.6	-176.8	-178.2	0	0	112.6	T1758 K1760 E1765 V1766	T1758-E1762 WeakPolarHBondContact O-CB 3.49Å; T1758-E1762 WeakPolarHBondContact O-CG 3.11Å; T1758-E1762 PolarHBondContact O-N 3.28Å; K1760-E1762 VanDerWaalsContact C-N 3.32Å; E1762-E1765 PolarHBondContact O-N 2.78Å; E1762-V1766 WeakPolarHBondContact O-CB 3.17Å; E1762-V1766 VanDerWaalsContact O-CG2 3.29Å; E1762-V1766 WeakPolarHBondContact O-CG2 3.17Å; E1762-V1766 PolarHBondContact O-N 2.85Å
1763	E	62.9	Low	62.3	Low	97 Å²	97	106.9 Å²	106.9	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-44.4	172.4	-82	-154.5	119.7	0	0	111.7	R1444 V1759 K1760 E1767	R1444-E1763 IonicContact CZ-OE1 3.94Å; R1444-E1763 IonicContact NH2-OE1 3.44Å; R1444-E1763 PolarHBondContact NH2-OE1 3.33Å; V1759-E1763 WeakPolarHBondContact O-CB 3.07Å; V1759-E1763 PolarHBondContact O-N 2.69Å; K1760-E1763 PolarHBondContact O-N 2.74Å; E1763-E1767 WeakPolarHBondContact O-CB 3.39Å; E1763-E1767 PolarHBondContact O-N 3.22Å
1764	E	67.3	Low	63.1	Low	148 Å²	148	105.9 Å²	105.9	69%	0.692	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-36.5	175.9	-75.9	-156.2	130.4	0	0	112.6	K1760 R1768	K1760-E1764 WeakPolarHBondContact O-CB 3.07Å; K1760-E1764 WeakPolarHBondContact O-CG 3.49Å; K1760-E1764 PolarHBondContact O-N 2.82Å; E1764-R1768 WeakPolarHBondContact O-CB 3.37Å; E1764-R1768 PolarHBondContact O-N 2.74Å
1765	E	66.1	Low	63.7	Low	100 Å²	100	100.6 Å²	100.6	47%	0.467	47%	0.465	S	S	.	.	H	α-helix	trans	-72	-41.2	177.3	-161.4	-171.9	150.6	0	0	112	K1761 E1762 E1767 R1768 K1769	K1761-E1765 VanDerWaalsContact O-CB 3.3Å; K1761-E1765 WeakPolarHBondContact O-CB 3.36Å; K1761-E1765 PolarHBondContact O-N 3.32Å; E1762-E1765 PolarHBondContact O-N 2.78Å; E1765-E1767 VanDerWaalsContact C-N 3.34Å; E1765-R1768 WeakPolarHBondContact O-CB 3.43Å; E1765-R1768 PolarHBondContact O-N 3Å; E1765-K1769 HydrophobicContact CG-CD 4.41Å; E1765-K1769 WeakPolarHBondContact O-CB 3.48Å; E1765-K1769 VanDerWaalsContact O-CG 3.31Å; E1765-K1769 WeakPolarHBondContact O-CG 3.04Å; E1765-K1769 PolarHBondContact O-N 3.3Å; E1765-K1769 WeakPolarHBondContact OE1-CE 3.18Å; E1765-K1769 IonicContact OE1-NZ 3.89Å; E1765-K1769 PolarHBondContact OE1-NZ 3.39Å
1766	V	68.4	Low	64.5	Low	77 Å²	77	96.7 Å²	96.7	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-42.3	173.1	168.4	0	0	0	0	110.5	E1762 K1769 R1770	E1762-V1766 WeakPolarHBondContact O-CB 3.17Å; E1762-V1766 VanDerWaalsContact O-CG2 3.29Å; E1762-V1766 WeakPolarHBondContact O-CG2 3.17Å; E1762-V1766 PolarHBondContact O-N 2.85Å; V1766-K1769 PolarHBondContact O-N 2.77Å; V1766-R1770 WeakPolarHBondContact O-CB 3.18Å; V1766-R1770 WeakPolarHBondContact O-CG 3.22Å; V1766-R1770 PolarHBondContact O-N 2.67Å
1767	E	62.1	Low	65	Low	83 Å²	83	97.5 Å²	97.5	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-68.7	-33.9	176.8	-178.1	66.8	179.4	0	0	111.9	E1763 E1765 K1771	E1763-E1767 WeakPolarHBondContact O-CB 3.39Å; E1763-E1767 PolarHBondContact O-N 3.22Å; E1765-E1767 VanDerWaalsContact C-N 3.34Å; E1767-K1771 VanDerWaalsContact CD-NZ 3.34Å; E1767-K1771 HydrophobicContact CG-CD 4.3Å; E1767-K1771 WeakPolarHBondContact O-CB 3.22Å; E1767-K1771 WeakPolarHBondContact O-CG 3.17Å; E1767-K1771 PolarHBondContact O-N 3.2Å; E1767-K1771 WeakPolarHBondContact OE1-CE 2.8Å; E1767-K1771 IonicContact OE1-NZ 2.76Å; E1767-K1771 PolarHBondContact OE1-NZ 3.26Å
1768	R	67.2	Low	65.5	Low	163 Å²	163	94.7 Å²	94.7	62%	0.615	45%	0.452	S	S	*	.	H	α-helix	trans	-60.7	-54.7	166.9	-98.9	-165.5	66.3	-177.4	-4.1	111.2	E1764 E1765 R1770 K1771 E1772	E1764-R1768 WeakPolarHBondContact O-CB 3.37Å; E1764-R1768 PolarHBondContact O-N 2.74Å; E1765-R1768 WeakPolarHBondContact O-CB 3.43Å; E1765-R1768 PolarHBondContact O-N 3Å; R1768-R1770 VanDerWaalsContact C-N 3.32Å; R1768-R1770 PolarHBondContact O-N 3.18Å; R1768-K1771 CarbonylContact O-C 3.52Å; R1768-K1771 PolarHBondContact O-N 3.15Å; R1768-K1771 VanDerWaalsContact O-N 3.09Å; R1768-E1772 IonicContact CZ-OE1 3.38Å; R1768-E1772 IonicContact NE-OE1 2.82Å; R1768-E1772 PolarHBondContact NE-OE1 3.48Å; R1768-E1772 VanDerWaalsContact NE-OE1 3.12Å; R1768-E1772 IonicContact NH2-OE1 2.65Å; R1768-E1772 PolarHBondContact NH2-OE1 3.11Å; R1768-E1772 WeakPolarHBondContact O-CB 3.31Å; R1768-E1772 WeakPolarHBondContact O-CG 3.44Å; R1768-E1772 PolarHBondContact O-N 3.35Å
1769	K	66.4	Low	66.1	Low	99 Å²	99	94 Å²	94	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-55.6	-45.3	-179	-75	165.9	178.6	165.7	0	111.3	E1765 V1766 E1772 E1773	E1765-K1769 HydrophobicContact CG-CD 4.41Å; E1765-K1769 WeakPolarHBondContact O-CB 3.48Å; E1765-K1769 VanDerWaalsContact O-CG 3.31Å; E1765-K1769 WeakPolarHBondContact O-CG 3.04Å; E1765-K1769 PolarHBondContact O-N 3.3Å; E1765-K1769 WeakPolarHBondContact OE1-CE 3.18Å; E1765-K1769 IonicContact OE1-NZ 3.89Å; E1765-K1769 PolarHBondContact OE1-NZ 3.39Å; V1766-K1769 PolarHBondContact O-N 2.77Å; K1769-E1772 WeakPolarHBondContact O-CB 3.43Å; K1769-E1772 PolarHBondContact O-N 2.73Å; K1769-E1773 PolarHBondContact O-N 3.46Å
1770	R	66.9	Low	65.9	Low	150 Å²	150	98.1 Å²	98.1	57%	0.566	46%	0.455	S	S	*	.	H	α-helix	trans	-59.4	-48.1	173.4	-76.8	178.6	169.6	-164	-3.4	112.8	V1766 R1768 E1772 E1773	V1766-R1770 WeakPolarHBondContact O-CB 3.18Å; V1766-R1770 WeakPolarHBondContact O-CG 3.22Å; V1766-R1770 PolarHBondContact O-N 2.67Å; R1768-R1770 VanDerWaalsContact C-N 3.32Å; R1768-R1770 PolarHBondContact O-N 3.18Å; R1770-E1772 PolarHBondContact O-N 2.77Å; R1770-E1773 WeakPolarHBondContact O-CB 3.36Å; R1770-E1773 PolarHBondContact O-N 3.49Å
1771	K	63.9	Low	66.3	Low	96 Å²	96	94.3 Å²	94.3	42%	0.417	45%	0.45	S	S	.	.	H	α-helix	trans	-64.3	-28.9	177	-77.9	166.7	-178.9	150.1	0	112.1	E1767 R1768 K1775	E1767-K1771 VanDerWaalsContact CD-NZ 3.34Å; E1767-K1771 HydrophobicContact CG-CD 4.3Å; E1767-K1771 WeakPolarHBondContact O-CB 3.22Å; E1767-K1771 WeakPolarHBondContact O-CG 3.17Å; E1767-K1771 PolarHBondContact O-N 3.2Å; E1767-K1771 WeakPolarHBondContact OE1-CE 2.8Å; E1767-K1771 IonicContact OE1-NZ 2.76Å; E1767-K1771 PolarHBondContact OE1-NZ 3.26Å; R1768-K1771 CarbonylContact O-C 3.52Å; R1768-K1771 PolarHBondContact O-N 3.15Å; R1768-K1771 VanDerWaalsContact O-N 3.09Å; K1771-K1775 WeakPolarHBondContact O-CD 3.13Å; K1771-K1775 WeakPolarHBondContact O-CE 3.47Å; K1771-K1775 WeakPolarHBondContact O-CG 3.41Å; K1771-K1775 PolarHBondContact O-NZ 2.71Å
1772	E	69	Low	66.7	Low	44 Å²	44	95.7 Å²	95.7	21%	0.206	46%	0.458	C	S	.	.	H	α-helix	trans	-71.5	-41.6	175.3	-76.6	-178.5	-153.8	0	0	112	K948 S949 R1768 K1769 R1770 K1775 A1776	K948-E1772 VanDerWaalsContact C-CG 3.46Å; K948-E1772 VanDerWaalsContact O-CD 3.24Å; K948-E1772 VanDerWaalsContact O-CG 3.3Å; K948-E1772 WeakPolarHBondContact O-CG 3.29Å; K948-E1772 VanDerWaalsContact O-OE2 3.13Å; S949-E1772 WeakPolarHBondContact CA-O 3.42Å; S949-E1772 PolarHBondContact N-OE2 2.98Å; R1768-E1772 IonicContact CZ-OE1 3.38Å; R1768-E1772 IonicContact NE-OE1 2.82Å; R1768-E1772 PolarHBondContact NE-OE1 3.48Å; R1768-E1772 VanDerWaalsContact NE-OE1 3.12Å; R1768-E1772 IonicContact NH2-OE1 2.65Å; R1768-E1772 PolarHBondContact NH2-OE1 3.11Å; R1768-E1772 WeakPolarHBondContact O-CB 3.31Å; R1768-E1772 WeakPolarHBondContact O-CG 3.44Å; R1768-E1772 PolarHBondContact O-N 3.35Å; K1769-E1772 WeakPolarHBondContact O-CB 3.43Å; K1769-E1772 PolarHBondContact O-N 2.73Å; R1770-E1772 PolarHBondContact O-N 2.77Å; E1772-K1775 PolarHBondContact O-N 2.86Å; E1772-A1776 PolarHBondContact O-N 2.65Å
1773	E	63.4	Low	66.9	Low	65 Å²	65	97 Å²	97	30%	0.304	46%	0.462	S	S	.	.	H	α-helix	trans	-52.6	-57.7	179.8	-160	104.9	-148.6	0	0	113.7	T950 S951 S952 K1769 R1770 K1775 A1776 E1777	T950-E1773 VanDerWaalsContact CB-OE2 3.24Å; T950-E1773 WeakPolarHBondContact CB-OE2 3.41Å; T950-E1773 WeakPolarHBondContact OG1-CA 3.39Å; T950-E1773 WeakPolarHBondContact OG1-CB 3.45Å; T950-E1773 WeakPolarHBondContact OG1-CG 3.31Å; T950-E1773 PolarHBondContact OG1-N 2.95Å; T950-E1773 PolarHBondContact OG1-OE2 2.84Å; S951-E1773 WeakPolarHBondContact CA-OE1 3.11Å; S951-E1773 PolarHBondContact N-OE1 3.3Å; S952-E1773 PolarHBondContact N-OE1 3.17Å; K1769-E1773 PolarHBondContact O-N 3.46Å; R1770-E1773 WeakPolarHBondContact O-CB 3.36Å; R1770-E1773 PolarHBondContact O-N 3.49Å; E1773-K1775 PolarHBondContact O-N 3.25Å; E1773-A1776 WeakPolarHBondContact O-CB 3.45Å; E1773-A1776 PolarHBondContact O-N 2.72Å; E1773-E1777 PolarHBondContact O-N 3.32Å
1774	E	65.7	Low	67.5	Low	130 Å²	130	95.8 Å²	95.8	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-52.9	-28	-176.5	-60.7	-178.1	122.2	0	0	113.4	E1777 G1778	E1774-E1777 PolarHBondContact O-N 2.73Å; E1774-G1778 PolarHBondContact O-N 2.89Å; E1774-G1778 VanDerWaalsContact O-N 3.08Å
1775	K	65.7	Low	67.8	Low	19 Å²	19	92.3 Å²	92.3	8%	0.083	45%	0.445	C	S	.	.	H	α-helix	trans	-87.9	-21.4	-171.8	-58.7	168.8	-173.4	44.1	0	110.8	N946 Q947 K1771 E1772 E1773 T1779	N946-K1775 WeakPolarHBondContact OD1-CE 3.16Å; Q947-K1775 HydrophobicContact CB-CB 3.98Å; Q947-K1775 HydrophobicContact CB-CD 3.7Å; Q947-K1775 HydrophobicContact CB-CG 4.29Å; Q947-K1775 HydrophobicContact CG-CB 4.44Å; Q947-K1775 HydrophobicContact CG-CD 3.93Å; Q947-K1775 HydrophobicContact CG-CG 4.45Å; K1771-K1775 WeakPolarHBondContact O-CD 3.13Å; K1771-K1775 WeakPolarHBondContact O-CE 3.47Å; K1771-K1775 WeakPolarHBondContact O-CG 3.41Å; K1771-K1775 PolarHBondContact O-NZ 2.71Å; E1772-K1775 PolarHBondContact O-N 2.86Å; E1773-K1775 PolarHBondContact O-N 3.25Å; K1775-T1779 PolarHBondContact O-OG1 3.43Å
1776	A	70.2	Confident	68.2	Low	11 Å²	11	90.8 Å²	90.8	9%	0.091	45%	0.445	C	S	.	.	H	α-helix	trans	-63.2	-51.1	162.5	0	0	0	0	0	110	S949 T950 E1772 E1773 T1779 R1780	S949-A1776 VanDerWaalsContact OG-CA 3.25Å; S949-A1776 WeakPolarHBondContact OG-CA 3.35Å; S949-A1776 VanDerWaalsContact OG-CB 3.29Å; S949-A1776 WeakPolarHBondContact OG-CB 3.22Å; S949-A1776 PolarHBondContact OG-N 3.34Å; S949-A1776 VanDerWaalsContact OG-N 3.16Å; T950-A1776 WeakPolarHBondContact O-CB 3.31Å; E1772-A1776 PolarHBondContact O-N 2.65Å; E1773-A1776 WeakPolarHBondContact O-CB 3.45Å; E1773-A1776 PolarHBondContact O-N 2.72Å; A1776-T1779 PolarHBondContact O-OG1 2.92Å; A1776-R1780 VanDerWaalsContact O-CB 3.3Å; A1776-R1780 WeakPolarHBondContact O-CB 3.49Å; A1776-R1780 PolarHBondContact O-N 3.47Å
1777	E	67.6	Low	68.3	Low	143 Å²	143	94.4 Å²	94.4	67%	0.668	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-50.4	-177	-71.2	-145.7	105.2	0	0	113	E1773 E1774 T1779 R1780 G1781	E1773-E1777 PolarHBondContact O-N 3.32Å; E1774-E1777 PolarHBondContact O-N 2.73Å; E1777-T1779 VanDerWaalsContact C-N 3.32Å; E1777-T1779 PolarHBondContact O-N 2.87Å; E1777-R1780 WeakPolarHBondContact O-CA 3.37Å; E1777-R1780 WeakPolarHBondContact O-CB 3.36Å; E1777-R1780 PolarHBondContact O-N 3.45Å; E1777-G1781 PolarHBondContact O-N 3.35Å
1778	G	67.5	Low	68.9	Low	47 Å²	47	97.5 Å²	97.5	49%	0.485	46%	0.463	S	S	.	.	H	α-helix	trans	-56.2	-44.5	-178.9	0	0	0	0	0	113	E1774 G1781 E1782	E1774-G1778 PolarHBondContact O-N 2.89Å; E1774-G1778 VanDerWaalsContact O-N 3.08Å; G1778-G1781 PolarHBondContact O-N 3.12Å; G1778-E1782 PolarHBondContact O-N 2.92Å
1779	T	69.7	Low	69.2	Low	60 Å²	60	96.1 Å²	96.1	37%	0.368	46%	0.461	S	S	.	.	H	α-helix	trans	-73.7	-27.1	177.9	59.6	0	0	0	0	113.2	K1775 A1776 E1777 K1783	K1775-T1779 PolarHBondContact O-OG1 3.43Å; A1776-T1779 PolarHBondContact O-OG1 2.92Å; E1777-T1779 VanDerWaalsContact C-N 3.32Å; E1777-T1779 PolarHBondContact O-N 2.87Å; T1779-K1783 WeakPolarHBondContact O-CB 3.46Å; T1779-K1783 PolarHBondContact O-N 2.73Å
1780	R	63.5	Low	69.5	Low	164 Å²	164	101 Å²	101	62%	0.619	48%	0.477	S	S	*	.	H	α-helix	trans	-67.6	-40.1	170.8	-161.1	172.6	-172.3	168.5	-0.3	110.8	A1776 E1777 K1783 V1784	A1776-R1780 VanDerWaalsContact O-CB 3.3Å; A1776-R1780 WeakPolarHBondContact O-CB 3.49Å; A1776-R1780 PolarHBondContact O-N 3.47Å; E1777-R1780 WeakPolarHBondContact O-CA 3.37Å; E1777-R1780 WeakPolarHBondContact O-CB 3.36Å; E1777-R1780 PolarHBondContact O-N 3.45Å; R1780-K1783 PolarHBondContact O-N 3.37Å; R1780-V1784 WeakPolarHBondContact O-CG2 3.43Å; R1780-V1784 PolarHBondContact O-N 3.02Å
1781	G	70.7	Confident	69.8	Low	41 Å²	41	103.5 Å²	103.5	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-59.4	-56.7	176.4	0	0	0	0	0	113.8	E1777 G1778 K1783 V1784 E1785	E1777-G1781 PolarHBondContact O-N 3.35Å; G1778-G1781 PolarHBondContact O-N 3.12Å; G1781-K1783 PolarHBondContact O-N 2.89Å; G1781-V1784 PolarHBondContact O-N 3.11Å; G1781-E1785 PolarHBondContact O-N 2.81Å
1782	E	71.5	Confident	70.1	Confident	146 Å²	146	106.1 Å²	106.1	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-57	-35.8	178.4	-77.8	-156.6	117.4	0	0	113	G1778 V1784 E1785 S1786	G1778-E1782 PolarHBondContact O-N 2.92Å; E1782-V1784 VanDerWaalsContact C-N 3.33Å; E1782-V1784 PolarHBondContact O-N 3.16Å; E1782-E1785 PolarHBondContact O-N 3.33Å; E1782-S1786 VanDerWaalsContact O-CB 3.23Å; E1782-S1786 WeakPolarHBondContact O-CB 3.35Å; E1782-S1786 PolarHBondContact O-N 3.5Å; E1782-S1786 PolarHBondContact O-OG 3.28Å
1783	K	68.2	Low	70.4	Confident	155 Å²	155	109.1 Å²	109.1	67%	0.674	51%	0.511	S	S	*	.	H	α-helix	trans	-69.5	-31.1	-179.8	-155	169.8	-170.7	174	0	111.9	T1779 R1780 G1781 K1787	T1779-K1783 WeakPolarHBondContact O-CB 3.46Å; T1779-K1783 PolarHBondContact O-N 2.73Å; R1780-K1783 PolarHBondContact O-N 3.37Å; G1781-K1783 PolarHBondContact O-N 2.89Å; K1783-K1787 WeakPolarHBondContact O-CG 3.35Å; K1783-K1787 PolarHBondContact O-N 2.84Å
1784	V	75.9	Confident	70.2	Confident	71 Å²	71	110.2 Å²	110.2	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-73.9	-45.8	171	172.2	0	0	0	0	111	R1780 G1781 E1782 S1786 K1787 R1788	R1780-V1784 WeakPolarHBondContact O-CG2 3.43Å; R1780-V1784 PolarHBondContact O-N 3.02Å; G1781-V1784 PolarHBondContact O-N 3.11Å; E1782-V1784 VanDerWaalsContact C-N 3.33Å; E1782-V1784 PolarHBondContact O-N 3.16Å; V1784-S1786 VanDerWaalsContact C-N 3.34Å; V1784-S1786 PolarHBondContact O-N 3.49Å; V1784-K1787 WeakPolarHBondContact O-CB 3.47Å; V1784-K1787 PolarHBondContact O-N 3.3Å; V1784-K1787 VanDerWaalsContact O-N 3.14Å; V1784-R1788 PolarHBondContact O-N 3.22Å
1785	E	73.6	Confident	70.2	Confident	75 Å²	75	110.4 Å²	110.4	35%	0.35	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-36.8	-178.5	-163.3	53.5	-146.1	0	0	112	G1781 E1782 K1787 R1788 K1789	G1781-E1785 PolarHBondContact O-N 2.81Å; E1782-E1785 PolarHBondContact O-N 3.33Å; E1785-K1787 PolarHBondContact O-N 2.72Å; E1785-R1788 WeakPolarHBondContact O-CB 3.33Å; E1785-R1788 PolarHBondContact O-N 2.61Å; E1785-R1788 WeakPolarHBondContact OE2-CD 3.34Å; E1785-R1788 IonicContact OE2-NH1 3.93Å; E1785-K1789 PolarHBondContact O-N 2.62Å
1786	S	74.1	Confident	70.3	Confident	68 Å²	68	115.4 Å²	115.4	48%	0.476	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-39.4	171.3	-63.9	0	0	0	0	112.8	E1782 V1784 R1790	E1782-S1786 VanDerWaalsContact O-CB 3.23Å; E1782-S1786 WeakPolarHBondContact O-CB 3.35Å; E1782-S1786 PolarHBondContact O-N 3.5Å; E1782-S1786 PolarHBondContact O-OG 3.28Å; V1784-S1786 VanDerWaalsContact C-N 3.34Å; V1784-S1786 PolarHBondContact O-N 3.49Å; S1786-R1790 PolarHBondContact O-N 2.84Å
1787	K	71.8	Confident	70.2	Confident	152 Å²	152	117.4 Å²	117.4	66%	0.661	57%	0.571	S	S	*	*	H	α-helix	trans	-65.9	-38.4	172.1	-81.4	-179.3	175.2	-177.5	0	111.7	K1783 V1784 E1785 R1791	K1783-K1787 WeakPolarHBondContact O-CG 3.35Å; K1783-K1787 PolarHBondContact O-N 2.84Å; V1784-K1787 WeakPolarHBondContact O-CB 3.47Å; V1784-K1787 PolarHBondContact O-N 3.3Å; V1784-K1787 VanDerWaalsContact O-N 3.14Å; E1785-K1787 PolarHBondContact O-N 2.72Å; K1787-R1791 PolarHBondContact O-N 2.9Å
1788	R	74.6	Confident	69.9	Low	148 Å²	148	121.1 Å²	121.1	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-63.7	-47.2	174.8	-77.4	175.5	166.6	169.9	-2.7	112	V1784 E1785 R1791 R1792	V1784-R1788 PolarHBondContact O-N 3.22Å; E1785-R1788 WeakPolarHBondContact O-CB 3.33Å; E1785-R1788 PolarHBondContact O-N 2.61Å; E1785-R1788 WeakPolarHBondContact OE2-CD 3.34Å; E1785-R1788 IonicContact OE2-NH1 3.93Å; R1788-R1791 PolarHBondContact O-N 3.18Å; R1788-R1792 PolarHBondContact O-N 3.05Å
1789	K	73.1	Confident	69	Low	135 Å²	135	129.9 Å²	129.9	59%	0.587	60%	0.597	S	S	*	*	H	α-helix	trans	-57.3	-50.4	173.7	-82.4	-179.4	176.1	172	0	111.9	E1785 R1791 R1792 N1793	E1785-K1789 PolarHBondContact O-N 2.62Å; K1789-R1791 VanDerWaalsContact C-N 3.32Å; K1789-R1791 PolarHBondContact O-N 2.76Å; K1789-R1792 PolarHBondContact O-N 2.83Å; K1789-R1792 VanDerWaalsContact O-N 3.1Å; K1789-N1793 PolarHBondContact O-N 3.3Å; K1789-N1793 VanDerWaalsContact O-N 3.1Å; K1789-N1793 PolarHBondContact O-OD1 2.84Å; K1789-N1793 VanDerWaalsContact O-OD1 3.06Å
1790	R	73.5	Confident	67.7	Low	201 Å²	201	134 Å²	134	76%	0.758	63%	0.629	S	S	*	*	H	α-helix	trans	-57.5	-40.5	176.5	-76.5	-174.3	174.6	-177.1	-0.4	112.9	S1786 C1794	S1786-R1790 PolarHBondContact O-N 2.84Å; R1790-C1794 PolarHBondContact O-N 3.01Å; R1790-C1794 VanDerWaalsContact O-N 3.14Å; R1790-C1794 PolarHBondContact O-SG 3.35Å
1791	R	71.6	Confident	67.9	Low	202 Å²	202	132.6 Å²	132.6	76%	0.762	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-39.8	174.7	-90.5	-174.5	167.2	178.7	-4.1	113.2	K1787 R1788 K1789 C1794 Q1795	K1787-R1791 PolarHBondContact O-N 2.9Å; R1788-R1791 PolarHBondContact O-N 3.18Å; K1789-R1791 VanDerWaalsContact C-N 3.32Å; K1789-R1791 PolarHBondContact O-N 2.76Å; R1791-C1794 PolarHBondContact O-N 2.79Å; R1791-Q1795 PolarHBondContact O-N 3.48Å
1792	R	71.6	Confident	67.7	Low	152 Å²	152	137.4 Å²	137.4	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-62.8	-52.9	176.2	-75.7	-178.2	174.4	137.4	-2.9	111.7	R1788 K1789 C1794 Q1795 E1796	R1788-R1792 PolarHBondContact O-N 3.05Å; K1789-R1792 PolarHBondContact O-N 2.83Å; K1789-R1792 VanDerWaalsContact O-N 3.1Å; R1792-C1794 VanDerWaalsContact C-N 3.26Å; R1792-C1794 PolarHBondContact O-N 3.07Å; R1792-Q1795 WeakPolarHBondContact O-CA 3.24Å; R1792-Q1795 PolarHBondContact O-N 3.08Å; R1792-E1796 PolarHBondContact O-N 3.33Å
1793	N	74.3	Confident	67.5	Low	106 Å²	106	136.9 Å²	136.9	57%	0.567	64%	0.638	S	S	*	*	H	α-helix	trans	-57.8	-36.8	178.3	-71.1	62.3	0	0	0	112.5	K1789 Q1795 E1796 G1797	K1789-N1793 PolarHBondContact O-N 3.3Å; K1789-N1793 VanDerWaalsContact O-N 3.1Å; K1789-N1793 PolarHBondContact O-OD1 2.84Å; K1789-N1793 VanDerWaalsContact O-OD1 3.06Å; N1793-Q1795 VanDerWaalsContact C-N 3.31Å; N1793-Q1795 PolarHBondContact O-N 3.48Å; N1793-E1796 PolarHBondContact O-N 3.06Å; N1793-G1797 PolarHBondContact O-N 3.18Å
1794	C	59	Low	67.5	Low	88 Å²	88	135.8 Å²	135.8	60%	0.595	64%	0.635	S	S	*	*	H	α-helix	trans	-71.1	-19.1	175	-69.2	0	0	0	0	114.6	R1790 R1791 R1792 R1798	R1790-C1794 PolarHBondContact O-N 3.01Å; R1790-C1794 VanDerWaalsContact O-N 3.14Å; R1790-C1794 PolarHBondContact O-SG 3.35Å; R1791-C1794 PolarHBondContact O-N 2.79Å; R1792-C1794 VanDerWaalsContact C-N 3.26Å; R1792-C1794 PolarHBondContact O-N 3.07Å; C1794-R1798 WeakPolarHBondContact O-CG 3.48Å
1795	Q	65.7	Low	67	Low	135 Å²	135	139.9 Å²	139.9	63%	0.631	65%	0.648	S	S	*	*	H	α-helix	trans	-86.4	-35.9	171.5	-75.5	-176	-37.7	0	0	111.9	R1791 R1792 N1793 R1798 R1799	R1791-Q1795 PolarHBondContact O-N 3.48Å; R1792-Q1795 WeakPolarHBondContact O-CA 3.24Å; R1792-Q1795 PolarHBondContact O-N 3.08Å; N1793-Q1795 VanDerWaalsContact C-N 3.31Å; N1793-Q1795 PolarHBondContact O-N 3.48Å; Q1795-R1798 PolarHBondContact O-N 3.24Å; Q1795-R1799 PolarHBondContact O-N 3.44Å
1796	E	67.9	Low	66.5	Low	124 Å²	124	144.2 Å²	144.2	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-68.4	-42.8	174.8	-68.9	174.6	145.2	0	0	111.4	R1792 N1793 R1798 R1799 S1800	R1792-E1796 PolarHBondContact O-N 3.33Å; N1793-E1796 PolarHBondContact O-N 3.06Å; E1796-R1798 PolarHBondContact O-N 3.22Å; E1796-R1799 PolarHBondContact O-N 3.09Å; E1796-S1800 PolarHBondContact O-N 3.16Å; E1796-S1800 VanDerWaalsContact O-N 3.07Å; E1796-S1800 PolarHBondContact O-OG 3.46Å
1797	G	69.6	Low	66	Low	52 Å²	52	149.6 Å²	149.6	54%	0.536	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	8.5	170.1	0	0	0	0	0	115.6	N1793	N1793-G1797 PolarHBondContact O-N 3.18Å
1798	R	59.7	Low	65.5	Low	222 Å²	222	149.5 Å²	149.5	84%	0.838	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	-0.1	167.6	-77.5	-175.3	173.4	-160.9	-0.1	113	C1794 Q1795 E1796	C1794-R1798 WeakPolarHBondContact O-CG 3.48Å; Q1795-R1798 PolarHBondContact O-N 3.24Å; E1796-R1798 PolarHBondContact O-N 3.22Å
1799	R	48.7	Very low	64.8	Low	231 Å²	231	149.6 Å²	149.6	87%	0.872	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-17	174.1	-76.2	179.7	167.7	-177	-3.7	112.5	Q1795 E1796	Q1795-R1799 PolarHBondContact O-N 3.44Å; E1796-R1799 PolarHBondContact O-N 3.09Å
1800	S	42.8	Very low	64	Low	147 Å²	147	150.9 Å²	150.9	100%	1.028	70%	0.704	S	S	*	*			trans	-84.8	0	160.4	40.9	0	0	0	0	109.9	E1796	E1796-S1800 PolarHBondContact O-N 3.16Å; E1796-S1800 VanDerWaalsContact O-N 3.07Å; E1796-S1800 PolarHBondContact O-OG 3.46Å

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