A0A077ZFY8_TRITR Loading...

PmbA TldD and Mur ligase M and Mur ligase and Mur ligase C and Cytochrom B562 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 973 aa.

						>A0A077ZFY8_TRITR|A0A077ZFY8
MGGLAMLARQLGHEVTGSDANVYPPMSTLLEKQGIELIQGYDASQLDPQPDLVIIGNAMTRGNPCVEAVLEKNIPYMSGPQWLHDFVLRDRWVLAVAGTHGKTTTAGMATWILEQCGYKPGFVIGGVPGNFEVSARLGESNFFVIEADEYDCAFFDKRSKFVHYCPRTLILNNLEFDHADIFDDLKAIQKQFHHLVRIVPGQGRIIWPENDINLKQTMAMGCWSEQELVGEQGHWQAKKLTTDASEWEVLLDGEKVGEVKWSLVGEHNMHNGLMAIAAARHVGVAPADAANALGSFINARRRLELRGEANGVTVYDDFAHHPTAILATLAALRGKVGGTARIIAVLEPRSNTMKMGICKDDLAPSLGRADEVFLLQPAHIPWQVAEVAEACVQPAHWSGDVDTLADMVVKTAQPGDHILVMSNGGFGGIHQKLLDDFRETLYIMALAMKVISQVEAQRKILEEAVSTALELASGKSDGAEVAVSKTTGISVSTRYGEVENVEFNSDGALGITVYHQNRKGSASSTDLSPQAIARTVQAALDIARYTSPDPCAGVADKELLAFDAPDLDLFHPAEVSPDEAIELAARAEQAALQADKRITNTEGGSFNSHYGVKVFGNSHGMLQGYCSTRHSLSSCVIAEENGDMERDYAYTIGRAMSDLQTPEWVGADCARRTLSRLSPRKLSTMKAPVIFANEVATGLFGHLVGAIAGGSVYRKSTFLLDSLGKQILPDWLTIEEHPHLLKGLASTPFDSEGVRTERRDIIKDGILTQWLLTSYSARKLGLKSTGHAGGIHNWRIAGQGLSFEQMLKEMGTGLVVTELMGQGVSAITGDYSRGAAGFWVENGEIQYPVSEITIAVSSLVFSSASFAADLEDNMETLNDNLKVVEKADNAAQVKDALTKMRAAALDAQKATPPKLEGKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYHQKYR
					

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(Predicted Aligned Error values between residue pairs)

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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	84.2	Confident	89.7	Confident	107 Å²	107	37.7 Å²	37.7	53%	0.527	20%	0.196	S	C	.	.				0	-54.1	0	-69.4	-52.9	-75.1	0	0	112.6	G3 L4 A5 I54	M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 HydrophobicContact SD-CD2 4.39Å; M1-A5 PolarHBondContact O-N 3.27Å; M1-A5 VanDerWaalsContact O-N 3.1Å; M1-I54 HydrophobicContact CE-CB 4.1Å; M1-I54 HydrophobicContact CE-CG2 3.67Å; M1-I54 HydrophobicContact SD-CG2 4.38Å
2	G	84.2	Confident	89.9	Confident	16 Å²	16	40.2 Å²	40.2	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-49.6	-46.7	-179.6	0	0	0	0	0	115.2	L4 A5 M6 L30	G2-L4 VanDerWaalsContact C-N 3.31Å; G2-L4 PolarHBondContact O-N 2.97Å; G2-A5 WeakPolarHBondContact O-CB 3.28Å; G2-A5 PolarHBondContact O-N 3.32Å; G2-M6 WeakPolarHBondContact O-CG 3.49Å; G2-M6 PolarHBondContact O-N 3.47Å; G2-M6 VanDerWaalsContact O-N 3.14Å; G2-L30 WeakPolarHBondContact O-CD2 3.12Å
3	G	87.2	Confident	90.2	Very high	9 Å²	9	43.6 Å²	43.6	9%	0.093	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-35.7	175.8	0	0	0	0	0	114.3	M1 M6 L7 A135	M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.31Å; G3-M6 PolarHBondContact O-N 3.38Å; G3-L7 WeakPolarHBondContact O-CG 3.44Å; G3-L7 PolarHBondContact O-N 3.2Å; G3-L7 VanDerWaalsContact O-N 3.11Å; G3-A135 VanDerWaalsContact CA-CB 3.48Å; G3-A135 WeakPolarHBondContact O-CB 3.37Å
4	L	91	Very high	90.4	Very high	16 Å²	16	53.2 Å²	53.2	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-41.6	177.1	-79.7	63.4	0	0	0	111	M1 G2 M6 L7 A8 G79 W82 L83	M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 HydrophobicContact SD-CD2 4.39Å; G2-L4 VanDerWaalsContact C-N 3.31Å; G2-L4 PolarHBondContact O-N 2.97Å; L4-M6 VanDerWaalsContact C-N 3.26Å; L4-M6 PolarHBondContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 3.24Å; L4-L7 VanDerWaalsContact O-N 3.14Å; L4-A8 WeakPolarHBondContact O-CB 3.5Å; L4-A8 PolarHBondContact O-N 3.05Å; L4-G79 VanDerWaalsContact CD2-C 3.49Å; L4-G79 VanDerWaalsContact CD2-O 3.28Å; L4-G79 WeakPolarHBondContact CD2-O 3.46Å; L4-W82 HydrophobicContact CG-CE3 4.44Å; L4-L83 HydrophobicContact CD1-CD1 3.81Å; L4-L83 HydrophobicContact CD1-CD2 4.42Å; L4-L83 HydrophobicContact CD1-CG 4.19Å; L4-L83 HydrophobicContact CD2-CD1 4.29Å; L4-L83 HydrophobicContact CD2-CG 4.1Å; L4-L83 HydrophobicContact CG-CD1 4.03Å; L4-L83 HydrophobicContact CG-CD2 4.07Å; L4-L83 HydrophobicContact CG-CG 3.85Å
5	A	91	Very high	90.6	Very high	19 Å²	19	51.2 Å²	51.2	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-40.6	177	0	0	0	0	0	111.1	M1 G2 A8 R9 V15 L30 I35	M1-A5 PolarHBondContact O-N 3.27Å; M1-A5 VanDerWaalsContact O-N 3.1Å; G2-A5 WeakPolarHBondContact O-CB 3.28Å; G2-A5 PolarHBondContact O-N 3.32Å; A5-A8 PolarHBondContact O-N 3.09Å; A5-R9 WeakPolarHBondContact O-CB 3.37Å; A5-R9 PolarHBondContact O-N 3.49Å; A5-V15 HydrophobicContact CB-CG1 3.9Å; A5-L30 HydrophobicContact CB-CD2 4.12Å; A5-I35 HydrophobicContact CB-CD1 3.92Å; A5-I35 HydrophobicContact CB-CG2 4.44Å; A5-I35 WeakPolarHBondContact O-CD1 3.38Å
6	M	88.7	Confident	90.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-41.9	174.5	-65	176.9	62.2	0	0	112.6	G2 G3 L4 R9 Q10 M26 L29 L30 Q33 I35 V133	G2-M6 WeakPolarHBondContact O-CG 3.49Å; G2-M6 PolarHBondContact O-N 3.47Å; G2-M6 VanDerWaalsContact O-N 3.14Å; G3-M6 PolarHBondContact O-N 3.38Å; L4-M6 VanDerWaalsContact C-N 3.26Å; L4-M6 PolarHBondContact O-N 3.1Å; M6-R9 PolarHBondContact O-N 2.85Å; M6-Q10 WeakPolarHBondContact O-CG 3.48Å; M6-Q10 PolarHBondContact O-N 3.35Å; M6-M26 HydrophobicContact SD-CE 4.39Å; M6-L29 HydrophobicContact CE-CD1 4.47Å; M6-L29 HydrophobicContact CE-CD2 4.27Å; M6-L29 HydrophobicContact CE-CG 4.27Å; M6-L29 HydrophobicContact SD-CD2 3.74Å; M6-L29 HydrophobicContact SD-CG 3.98Å; M6-L30 HydrophobicContact CG-CD2 3.92Å; M6-Q33 HydrophobicContact CE-CG 4.06Å; M6-Q33 HydrophobicContact CG-CG 4.27Å; M6-I35 HydrophobicContact CG-CD1 4.32Å; M6-V133 HydrophobicContact CE-CB 3.76Å; M6-V133 HydrophobicContact CE-CG1 3.71Å
7	L	93.1	Very high	90.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-44.4	176.6	-68	175.3	0	0	0	111.9	G3 L4 R9 Q10 L11 W82 L83 V123 A135 L137 F143	G3-L7 WeakPolarHBondContact O-CG 3.44Å; G3-L7 PolarHBondContact O-N 3.2Å; G3-L7 VanDerWaalsContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 3.24Å; L4-L7 VanDerWaalsContact O-N 3.14Å; L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 3.03Å; L7-Q10 PolarHBondContact O-N 3.27Å; L7-Q10 VanDerWaalsContact O-N 3.16Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.48Å; L7-W82 HydrophobicContact CB-CH2 4.31Å; L7-W82 HydrophobicContact CB-CZ3 4.27Å; L7-L83 HydrophobicContact CD1-CD2 3.72Å; L7-V123 HydrophobicContact CD1-CG2 3.51Å; L7-A135 HydrophobicContact CD2-CB 4.42Å; L7-A135 HydrophobicContact CG-CB 4.16Å; L7-L137 HydrophobicContact CD2-CB 4.19Å; L7-L137 HydrophobicContact CD2-CD1 4.37Å; L7-F143 HydrophobicContact CD1-CZ 4.03Å
8	A	93.1	Very high	90.5	Very high	7 Å²	7	50 Å²	50	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-42	176.2	0	0	0	0	0	111	L4 A5 L11 G12 H13 V15 W82	L4-A8 WeakPolarHBondContact O-CB 3.5Å; L4-A8 PolarHBondContact O-N 3.05Å; A5-A8 PolarHBondContact O-N 3.09Å; A8-L11 PolarHBondContact O-N 2.98Å; A8-G12 PolarHBondContact O-N 3.12Å; A8-H13 HydrophobicContact CB-CB 4.42Å; A8-H13 WeakPolarHBondContact O-CB 3.48Å; A8-H13 PolarHBondContact O-CD2 3.31Å; A8-H13 VanDerWaalsContact O-CD2 3.24Å; A8-H13 PolarHBondContact O-N 3.42Å; A8-V15 HydrophobicContact CB-CG2 3.74Å; A8-W82 HydrophobicContact CB-CH2 3.63Å; A8-W82 HydrophobicContact CB-CZ2 3.56Å
9	R	91.7	Very high	90.2	Very high	97 Å²	97	51 Å²	51	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.7	-171.2	58.2	164.7	177.5	-5.2	112.3	A5 M6 L7 L11 G12 H13 V15 Q33 G34 I35	A5-R9 WeakPolarHBondContact O-CB 3.37Å; A5-R9 PolarHBondContact O-N 3.49Å; M6-R9 PolarHBondContact O-N 2.85Å; L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 3.03Å; R9-L11 VanDerWaalsContact C-N 3.27Å; R9-L11 PolarHBondContact O-N 3Å; R9-G12 PolarHBondContact O-N 3.08Å; R9-H13 WeakPolarHBondContact CD-O 3.42Å; R9-H13 PolarHBondContact NH1-O 2.87Å; R9-V15 HydrophobicContact CB-CG2 4.33Å; R9-Q33 PolarHBondContact NE-O 3.38Å; R9-G34 PolarHBondContact NH2-O 2.94Å; R9-I35 HydrophobicContact CB-CD1 4.12Å; R9-I35 HydrophobicContact CB-CG1 4.25Å; R9-I35 HydrophobicContact CG-CG1 4.24Å
10	Q	90.2	Very high	89.5	Confident	76 Å²	76	50.9 Å²	50.9	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-29	175.4	-74.6	173.4	33.1	0	0	113.1	M6 L7 G12	M6-Q10 WeakPolarHBondContact O-CG 3.48Å; M6-Q10 PolarHBondContact O-N 3.35Å; L7-Q10 PolarHBondContact O-N 3.27Å; L7-Q10 VanDerWaalsContact O-N 3.16Å; Q10-G12 PolarHBondContact O-N 3.04Å
11	L	92.4	Very high	88.4	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.356	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.9	172	-71.7	172	0	0	0	113.5	L7 A8 R9 W82 V87 L137	L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.48Å; A8-L11 PolarHBondContact O-N 2.98Å; R9-L11 VanDerWaalsContact C-N 3.27Å; R9-L11 PolarHBondContact O-N 3Å; L11-W82 HydrophobicContact CD1-CH2 3.95Å; L11-W82 HydrophobicContact CD1-CZ2 4.23Å; L11-V87 HydrophobicContact CD1-CG2 4.11Å; L11-L137 HydrophobicContact CD2-CD1 4.12Å; L11-L137 HydrophobicContact CD2-CD2 3.7Å; L11-L137 HydrophobicContact CG-CD1 4.34Å; L11-L137 HydrophobicContact CG-CD2 4.31Å
12	G	92.1	Very high	87.5	Confident	67 Å²	67	49.5 Å²	49.5	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	11.1	176	0	0	0	0	0	114.8	A8 R9 Q10	A8-G12 PolarHBondContact O-N 3.12Å; R9-G12 PolarHBondContact O-N 3.08Å; Q10-G12 PolarHBondContact O-N 3.04Å
13	H	93.5	Very high	86.5	Confident	85 Å²	85	56.1 Å²	56.1	39%	0.394	31%	0.312	S	S	.	.			trans	-75.5	150.6	175.3	-60.4	-71.7	0	0	0	111.9	A8 R9 V15	A8-H13 HydrophobicContact CB-CB 4.42Å; A8-H13 WeakPolarHBondContact O-CB 3.48Å; A8-H13 PolarHBondContact O-CD2 3.31Å; A8-H13 VanDerWaalsContact O-CD2 3.24Å; A8-H13 PolarHBondContact O-N 3.42Å; R9-H13 WeakPolarHBondContact CD-O 3.42Å; R9-H13 PolarHBondContact NH1-O 2.87Å; H13-V15 HydrophobicContact CB-CG2 4.03Å
14	E	92.8	Very high	85.1	Confident	178 Å²	178	60 Å²	60	83%	0.832	34%	0.335	S	S	*	.			trans	-78.8	126.4	160	-172.3	169.8	-173.6	0	0	108.3
15	V	93.9	Very high	83.7	Confident	23 Å²	23	63.4 Å²	63.4	14%	0.139	36%	0.359	C	S	.	.			trans	-132.7	125	-170.7	-172.5	0	0	0	0	109.1	A5 A8 R9 H13 I35	A5-V15 HydrophobicContact CB-CG1 3.9Å; A8-V15 HydrophobicContact CB-CG2 3.74Å; R9-V15 HydrophobicContact CB-CG2 4.33Å; H13-V15 HydrophobicContact CB-CG2 4.03Å; V15-I35 HydrophobicContact CB-CG1 4.44Å; V15-I35 HydrophobicContact CB-CG2 4.39Å; V15-I35 HydrophobicContact CG1-CG2 4.09Å
16	T	91.5	Very high	82.7	Confident	73 Å²	73	65.3 Å²	65.3	45%	0.448	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.9	166	63.2	0	0	0	0	108.5	E36	T16-E36 WeakPolarHBondContact CA-O 3.37Å; T16-E36 HydrophobicContact CG2-CB 4.18Å
17	G	89.3	Confident	82	Confident	24 Å²	24	65.7 Å²	65.7	25%	0.247	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141	180	0	0	0	0	0	111.7	E36 L37 I38	G17-E36 PolarHBondContact N-O 2.86Å; G17-L37 CarbonylContact O-C 3.49Å; G17-L37 WeakPolarHBondContact O-CA 3.37Å; G17-I38 PolarHBondContact O-N 2.93Å
18	S	88.4	Confident	81.1	Confident	35 Å²	35	68.1 Å²	68.1	25%	0.245	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.3	177	155.2	0	0	0	0	111.4	I38 G40 Y41 Q45	S18-I38 VanDerWaalsContact CA-O 3.29Å; S18-I38 WeakPolarHBondContact CA-O 3.14Å; S18-G40 PolarHBondContact OG-O 3.11Å; S18-Y41 WeakPolarHBondContact OG-CD1 3.42Å; S18-Q45 PolarHBondContact OG-NE2 3.01Å; S18-Q45 PolarHBondContact OG-OE1 2.75Å
19	D	85.7	Confident	80.3	Confident	69 Å²	69	69 Å²	69	37%	0.369	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.5	171.9	-143.6	-19.3	0	0	0	110.7	V22 I38 Q39 G40 Y41	D19-V22 HydrophobicContact CB-CG2 3.53Å; D19-I38 PolarHBondContact N-O 2.66Å; D19-Q39 PolarHBondContact O-OE1 3.14Å; D19-G40 PolarHBondContact O-N 3.19Å; D19-Y41 PolarHBondContact OD1-OH 2.55Å
20	A	76.2	Confident	79.9	Confident	49 Å²	49	64.8 Å²	64.8	41%	0.405	37%	0.371	S	S	.	.	S	Bend	trans	-87.1	122.9	166.5	0	0	0	0	0	109	Y41	A20-Y41 HydrophobicContact CB-CE2 4.02Å; A20-Y41 PolarHBondContact N-OH 2.84Å; A20-Y41 VanDerWaalsContact N-OH 3.11Å
21	N	66.4	Low	79.7	Confident	100 Å²	100	66.7 Å²	66.7	54%	0.535	38%	0.38	S	S	.	.			trans	65.5	49.3	168.6	-58.7	-38.9	0	0	0	115.1	Y23 Q39	N21-Y23 HydrophobicContact CB-CD2 4.3Å; N21-Y23 HydrophobicContact CB-CE2 3.54Å; N21-Y23 WeakPolarHBondContact O-CD2 3.32Å; N21-Y23 WeakPolarHBondContact O-CE2 3.29Å; N21-Y23 PolarHBondContact O-N 3.42Å; N21-Y23 VanDerWaalsContact O-N 3.08Å; N21-Y23 PolarHBondContact OD1-OH 3.3Å; N21-Q39 VanDerWaalsContact N-OE1 3.14Å
22	V	64.6	Low	79.2	Confident	29 Å²	29	71.3 Å²	71.3	18%	0.176	40%	0.397	C	S	.	.			trans	-68.8	106	170.4	-165.1	0	0	0	0	109.9	D19 S27 L37	D19-V22 HydrophobicContact CB-CG2 3.53Å; V22-S27 WeakPolarHBondContact O-CB 3.36Å; V22-L37 HydrophobicContact CB-CD1 4.33Å; V22-L37 HydrophobicContact CG1-CD1 4Å
23	Y	62.7	Low	78.7	Confident	155 Å²	155	71.4 Å²	71.4	61%	0.608	38%	0.38	S	S	*	.			trans	-99.3	159.6	179.2	-63.1	-63.9	0	0	0	112.9	N21 M26 S27	N21-Y23 HydrophobicContact CB-CD2 4.3Å; N21-Y23 HydrophobicContact CB-CE2 3.54Å; N21-Y23 WeakPolarHBondContact O-CD2 3.32Å; N21-Y23 WeakPolarHBondContact O-CE2 3.29Å; N21-Y23 PolarHBondContact O-N 3.42Å; N21-Y23 VanDerWaalsContact O-N 3.08Å; N21-Y23 PolarHBondContact OD1-OH 3.3Å; Y23-M26 PolarHBondContact O-N 3.35Å; Y23-S27 PolarHBondContact O-N 3.24Å
24	P	59.2	Low	78.3	Confident	89 Å²	89	69.5 Å²	69.5	58%	0.578	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	147.5	166.4	-25.5	35.5	0	0	0	111.3	S27	P24-S27 WeakPolarHBondContact CD-OG 3.25Å
25	P	60.3	Low	78.1	Confident	89 Å²	89	61.2 Å²	61.2	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-11.2	6.5	33.2	-35.7	0	0	0	114.3	T28 L29	P25-T28 PolarHBondContact O-N 2.71Å; P25-L29 WeakPolarHBondContact O-CB 3.36Å; P25-L29 PolarHBondContact O-N 3.26Å
26	M	70	Confident	77.8	Confident	58 Å²	58	66.1 Å²	66.1	29%	0.286	37%	0.366	S	S	.	.	H	α-helix	trans	-68.4	-41.3	-172.5	-167.6	71.9	-121	0	0	112.2	M6 Y23 L29 L30	M6-M26 HydrophobicContact SD-CE 4.39Å; Y23-M26 PolarHBondContact O-N 3.35Å; M26-L29 HydrophobicContact CE-CB 4.36Å; M26-L29 HydrophobicContact CE-CD2 3.87Å; M26-L29 HydrophobicContact CE-CG 4.43Å; M26-L29 PolarHBondContact O-N 3.37Å; M26-L30 HydrophobicContact CE-CD1 3.94Å; M26-L30 HydrophobicContact CE-CD2 3.7Å; M26-L30 HydrophobicContact CE-CG 3.56Å; M26-L30 HydrophobicContact CG-CD1 4.27Å; M26-L30 WeakPolarHBondContact O-CG 3.45Å; M26-L30 PolarHBondContact O-N 3.01Å
27	S	74.8	Confident	77.6	Confident	8 Å²	8	64.5 Å²	64.5	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-51.3	176.1	55.6	0	0	0	0	111.4	V22 Y23 P24 L29 L30 E31	V22-S27 WeakPolarHBondContact O-CB 3.36Å; Y23-S27 PolarHBondContact O-N 3.24Å; P24-S27 WeakPolarHBondContact CD-OG 3.25Å; S27-L29 PolarHBondContact O-N 3.44Å; S27-L30 PolarHBondContact O-N 3.34Å; S27-L30 VanDerWaalsContact O-N 3.1Å; S27-E31 WeakPolarHBondContact O-CB 3.17Å; S27-E31 WeakPolarHBondContact O-CG 3.4Å; S27-E31 PolarHBondContact O-N 3.4Å
28	T	75.3	Confident	77.6	Confident	52 Å²	52	65.4 Å²	65.4	32%	0.319	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-36.7	177.7	-48.4	0	0	0	0	112.1	P25 K32	P25-T28 PolarHBondContact O-N 2.71Å; T28-K32 HydrophobicContact CG2-CD 4.43Å; T28-K32 VanDerWaalsContact O-CB 3.31Å; T28-K32 WeakPolarHBondContact O-CB 3.16Å; T28-K32 VanDerWaalsContact O-CG 3.23Å; T28-K32 WeakPolarHBondContact O-CG 3.44Å; T28-K32 PolarHBondContact O-N 3.4Å
29	L	75.8	Confident	77.4	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-66.7	-43.8	177.1	-173.8	66.7	0	0	0	111.6	M6 P25 M26 S27 Q33 V133	M6-L29 HydrophobicContact CE-CD1 4.47Å; M6-L29 HydrophobicContact CE-CD2 4.27Å; M6-L29 HydrophobicContact CE-CG 4.27Å; M6-L29 HydrophobicContact SD-CD2 3.74Å; M6-L29 HydrophobicContact SD-CG 3.98Å; P25-L29 WeakPolarHBondContact O-CB 3.36Å; P25-L29 PolarHBondContact O-N 3.26Å; M26-L29 HydrophobicContact CE-CB 4.36Å; M26-L29 HydrophobicContact CE-CD2 3.87Å; M26-L29 HydrophobicContact CE-CG 4.43Å; M26-L29 PolarHBondContact O-N 3.37Å; S27-L29 PolarHBondContact O-N 3.44Å; L29-Q33 WeakPolarHBondContact O-CG 3.41Å; L29-Q33 PolarHBondContact O-N 3.16Å; L29-V133 HydrophobicContact CD1-CG1 4.42Å
30	L	82.9	Confident	77.5	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-68.4	-44.6	179.1	-68	172.2	0	0	0	111.8	G2 A5 M6 M26 S27 K32 Q33 G34 I35 L37	G2-L30 WeakPolarHBondContact O-CD2 3.12Å; A5-L30 HydrophobicContact CB-CD2 4.12Å; M6-L30 HydrophobicContact CG-CD2 3.92Å; M26-L30 HydrophobicContact CE-CD1 3.94Å; M26-L30 HydrophobicContact CE-CD2 3.7Å; M26-L30 HydrophobicContact CE-CG 3.56Å; M26-L30 HydrophobicContact CG-CD1 4.27Å; M26-L30 WeakPolarHBondContact O-CG 3.45Å; M26-L30 PolarHBondContact O-N 3.01Å; S27-L30 PolarHBondContact O-N 3.34Å; S27-L30 VanDerWaalsContact O-N 3.1Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.96Å; L30-Q33 CarbonylContact O-C 3.49Å; L30-Q33 WeakPolarHBondContact O-CA 3.44Å; L30-Q33 WeakPolarHBondContact O-CB 3.47Å; L30-Q33 PolarHBondContact O-N 3.42Å; L30-G34 PolarHBondContact O-N 3.4Å; L30-I35 HydrophobicContact CB-CB 4.27Å; L30-I35 HydrophobicContact CD2-CD1 3.79Å; L30-I35 WeakPolarHBondContact O-CB 3.48Å; L30-I35 PolarHBondContact O-N 3.46Å; L30-L37 HydrophobicContact CB-CD1 4.25Å; L30-L37 HydrophobicContact CB-CD2 4.42Å; L30-L37 HydrophobicContact CB-CG 4.47Å; L30-L37 HydrophobicContact CD1-CD1 4.4Å; L30-L37 HydrophobicContact CD1-CD2 3.79Å
31	E	85.2	Confident	78.2	Confident	115 Å²	115	67.4 Å²	67.4	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-41.4	175.8	-71.9	167.6	-176	0	0	111.7	S27 Q33 G34 L37	S27-E31 WeakPolarHBondContact O-CB 3.17Å; S27-E31 WeakPolarHBondContact O-CG 3.4Å; S27-E31 PolarHBondContact O-N 3.4Å; E31-Q33 PolarHBondContact O-N 2.96Å; E31-G34 WeakPolarHBondContact O-CA 3.34Å; E31-G34 PolarHBondContact O-N 3.21Å; E31-L37 HydrophobicContact CG-CD1 4.34Å
32	K	83.1	Confident	79.4	Confident	166 Å²	166	67.4 Å²	67.4	72%	0.722	35%	0.352	S	S	*	.	H	α-helix	trans	-61.7	-25	174.2	-82.2	179.4	178.2	-175.5	0	113.4	T28 L30 G34	T28-K32 HydrophobicContact CG2-CD 4.43Å; T28-K32 VanDerWaalsContact O-CB 3.31Å; T28-K32 WeakPolarHBondContact O-CB 3.16Å; T28-K32 VanDerWaalsContact O-CG 3.23Å; T28-K32 WeakPolarHBondContact O-CG 3.44Å; T28-K32 PolarHBondContact O-N 3.4Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.96Å; K32-G34 VanDerWaalsContact C-N 3.27Å
33	Q	81.4	Confident	80.7	Confident	69 Å²	69	67.5 Å²	67.5	32%	0.322	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.7	173.5	-60.7	-63.8	-44.8	0	0	112.3	M6 R9 L29 L30 E31 I35	M6-Q33 HydrophobicContact CE-CG 4.06Å; M6-Q33 HydrophobicContact CG-CG 4.27Å; R9-Q33 PolarHBondContact NE-O 3.38Å; L29-Q33 WeakPolarHBondContact O-CG 3.41Å; L29-Q33 PolarHBondContact O-N 3.16Å; L30-Q33 CarbonylContact O-C 3.49Å; L30-Q33 WeakPolarHBondContact O-CA 3.44Å; L30-Q33 WeakPolarHBondContact O-CB 3.47Å; L30-Q33 PolarHBondContact O-N 3.42Å; E31-Q33 PolarHBondContact O-N 2.96Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 HydrophobicContact CB-CD1 4.06Å; Q33-I35 HydrophobicContact CB-CG1 4.27Å
34	G	84.3	Confident	82.1	Confident	45 Å²	45	64.1 Å²	64.1	46%	0.464	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	33.2	-178.5	0	0	0	0	0	112.9	R9 L30 E31 K32	R9-G34 PolarHBondContact NH2-O 2.94Å; L30-G34 PolarHBondContact O-N 3.4Å; E31-G34 WeakPolarHBondContact O-CA 3.34Å; E31-G34 PolarHBondContact O-N 3.21Å; K32-G34 VanDerWaalsContact C-N 3.27Å
35	I	88.5	Confident	83.7	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.015	34%	0.336	C	S	.	.			trans	-99.1	120.5	175.1	-60.8	167.7	0	0	0	107.5	A5 M6 R9 V15 L30 Q33	A5-I35 HydrophobicContact CB-CD1 3.92Å; A5-I35 HydrophobicContact CB-CG2 4.44Å; A5-I35 WeakPolarHBondContact O-CD1 3.38Å; M6-I35 HydrophobicContact CG-CD1 4.32Å; R9-I35 HydrophobicContact CB-CD1 4.12Å; R9-I35 HydrophobicContact CB-CG1 4.25Å; R9-I35 HydrophobicContact CG-CG1 4.24Å; V15-I35 HydrophobicContact CB-CG1 4.44Å; V15-I35 HydrophobicContact CB-CG2 4.39Å; V15-I35 HydrophobicContact CG1-CG2 4.09Å; L30-I35 HydrophobicContact CB-CB 4.27Å; L30-I35 HydrophobicContact CD2-CD1 3.79Å; L30-I35 WeakPolarHBondContact O-CB 3.48Å; L30-I35 PolarHBondContact O-N 3.46Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 HydrophobicContact CB-CD1 4.06Å; Q33-I35 HydrophobicContact CB-CG1 4.27Å
36	E	87.8	Confident	85.2	Confident	127 Å²	127	58 Å²	58	59%	0.593	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.6	179.6	-173.9	176.6	177.9	0	0	110.9	T16 G17	T16-E36 WeakPolarHBondContact CA-O 3.37Å; T16-E36 HydrophobicContact CG2-CB 4.18Å; G17-E36 PolarHBondContact N-O 2.86Å
37	L	87.8	Confident	86.2	Confident	39 Å²	39	61.5 Å²	61.5	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.7	177.7	-67.3	175.3	0	0	0	110.6	G17 V22 L30 E31	G17-L37 CarbonylContact O-C 3.49Å; G17-L37 WeakPolarHBondContact O-CA 3.37Å; V22-L37 HydrophobicContact CB-CD1 4.33Å; V22-L37 HydrophobicContact CG1-CD1 4Å; L30-L37 HydrophobicContact CB-CD1 4.25Å; L30-L37 HydrophobicContact CB-CD2 4.42Å; L30-L37 HydrophobicContact CB-CG 4.47Å; L30-L37 HydrophobicContact CD1-CD1 4.4Å; L30-L37 HydrophobicContact CD1-CD2 3.79Å; E31-L37 HydrophobicContact CG-CD1 4.34Å
38	I	89.2	Confident	87	Confident	43 Å²	43	66.5 Å²	66.5	22%	0.221	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.4	-178.8	-55.1	176	0	0	0	107.8	G17 S18 D19 Q45	G17-I38 PolarHBondContact O-N 2.93Å; S18-I38 VanDerWaalsContact CA-O 3.29Å; S18-I38 WeakPolarHBondContact CA-O 3.14Å; D19-I38 PolarHBondContact N-O 2.66Å; I38-Q45 HydrophobicContact CD1-CB 3.74Å; I38-Q45 HydrophobicContact CG2-CB 4.07Å
39	Q	85.1	Confident	88	Confident	116 Å²	116	69.8 Å²	69.8	54%	0.542	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.4	-179.8	-74.4	-71	-9.6	0	0	111.2	D19 N21	D19-Q39 PolarHBondContact O-OE1 3.14Å; N21-Q39 VanDerWaalsContact N-OE1 3.14Å
40	G	87.1	Confident	88.9	Confident	23 Å²	23	70.4 Å²	70.4	24%	0.237	38%	0.381	C	S	.	.	S	Bend	trans	74.7	-175.6	179.3	0	0	0	0	0	113.1	S18 D19	S18-G40 PolarHBondContact OG-O 3.11Å; D19-G40 PolarHBondContact O-N 3.19Å
41	Y	90.7	Very high	89.6	Confident	56 Å²	56	77.4 Å²	77.4	22%	0.22	42%	0.418	C	S	.	.			trans	-118.9	37.9	-166.7	-48.9	-75.1	0	0	0	112.3	S18 D19 A20 M59 N63 C65	S18-Y41 WeakPolarHBondContact OG-CD1 3.42Å; D19-Y41 PolarHBondContact OD1-OH 2.55Å; A20-Y41 HydrophobicContact CB-CE2 4.02Å; A20-Y41 PolarHBondContact N-OH 2.84Å; A20-Y41 VanDerWaalsContact N-OH 3.11Å; Y41-M59 HydrophobicContact CD1-SD 3.93Å; Y41-M59 HydrophobicContact CE1-CE 3.63Å; Y41-M59 HydrophobicContact CE1-SD 3.54Å; Y41-M59 VanDerWaalsContact CE1-SD 3.54Å; Y41-M59 HydrophobicContact CE2-CE 4.42Å; Y41-M59 WeakPolarHBondContact OH-CE 3.44Å; Y41-N63 WeakPolarHBondContact CB-ND2 3.43Å; Y41-N63 WeakPolarHBondContact CB-OD1 3.49Å; Y41-N63 VanDerWaalsContact CD2-ND2 3.32Å; Y41-N63 WeakPolarHBondContact CD2-ND2 3.28Å; Y41-C65 WeakPolarHBondContact O-CB 3.4Å; Y41-C65 PolarHBondContact O-N 2.83Å; Y41-C65 VanDerWaalsContact O-N 3.15Å
42	D	91.4	Very high	90.2	Very high	100 Å²	100	74.9 Å²	74.9	54%	0.535	41%	0.408	S	S	.	.			trans	-69.3	136.6	176.6	-172.1	-87.1	0	0	0	110.7	S44 Q45	D42-S44 PolarHBondContact O-N 3.45Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.18Å; D42-S44 PolarHBondContact OD1-OG 3.26Å; D42-Q45 WeakPolarHBondContact O-CG 3.5Å; D42-Q45 PolarHBondContact O-N 3.28Å; D42-Q45 PolarHBondContact O-NE2 3.1Å
43	A	91.9	Very high	90.8	Very high	31 Å²	31	68.2 Å²	68.2	26%	0.256	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14.8	-174.6	0	0	0	0	0	114.2	Q45 L46 A68	A43-Q45 PolarHBondContact O-N 2.82Å; A43-L46 WeakPolarHBondContact O-CB 3.42Å; A43-L46 PolarHBondContact O-N 3.15Å; A43-A68 HydrophobicContact CB-CB 3.61Å
44	S	92.4	Very high	91.5	Very high	84 Å²	84	67.1 Å²	67.1	59%	0.587	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.1	176.8	61.6	0	0	0	0	113.1	D42 L46 D47	D42-S44 PolarHBondContact O-N 3.45Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.18Å; D42-S44 PolarHBondContact OD1-OG 3.26Å; S44-L46 PolarHBondContact O-N 3.23Å; S44-L46 VanDerWaalsContact O-N 3.1Å; S44-D47 PolarHBondContact O-N 3.06Å; S44-D47 VanDerWaalsContact O-N 3.09Å
45	Q	91.8	Very high	92.1	Very high	40 Å²	40	65.3 Å²	65.3	19%	0.187	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-63.1	-15	175.4	76.1	-175.7	-87.7	0	0	114.2	S18 I38 D42 A43 D47	S18-Q45 PolarHBondContact OG-NE2 3.01Å; S18-Q45 PolarHBondContact OG-OE1 2.75Å; I38-Q45 HydrophobicContact CD1-CB 3.74Å; I38-Q45 HydrophobicContact CG2-CB 4.07Å; D42-Q45 WeakPolarHBondContact O-CG 3.5Å; D42-Q45 PolarHBondContact O-N 3.28Å; D42-Q45 PolarHBondContact O-NE2 3.1Å; A43-Q45 PolarHBondContact O-N 2.82Å; Q45-D47 VanDerWaalsContact C-N 3.25Å
46	L	93.4	Very high	92.2	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.042	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-89.8	16.6	176.6	-56.2	172.4	0	0	0	112.1	A43 S44 P48 Q49 P50 V53 A68 V69 I74	A43-L46 WeakPolarHBondContact O-CB 3.42Å; A43-L46 PolarHBondContact O-N 3.15Å; S44-L46 PolarHBondContact O-N 3.23Å; S44-L46 VanDerWaalsContact O-N 3.1Å; L46-P48 CarbonylContact C-O 3.32Å; L46-P48 VanDerWaalsContact C-O 3.32Å; L46-P48 CarbonylContact O-C 3.57Å; L46-Q49 VanDerWaalsContact O-CA 3.24Å; L46-Q49 WeakPolarHBondContact O-CA 3.33Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-P50 HydrophobicContact CD2-CG 4.03Å; L46-V53 HydrophobicContact CD2-CG2 4.26Å; L46-A68 HydrophobicContact CD1-CB 3.75Å; L46-V69 HydrophobicContact CD1-CG2 3.74Å; L46-V69 HydrophobicContact CD2-CG2 4.11Å; L46-I74 HydrophobicContact CB-CD1 4.33Å; L46-I74 HydrophobicContact CD1-CD1 4.18Å
47	D	91.2	Very high	92.2	Very high	132 Å²	132	62 Å²	62	71%	0.706	35%	0.346	S	S	*	.			trans	-124.9	111.7	173.5	-168.1	12.3	0	0	0	109.5	S44 Q45	S44-D47 PolarHBondContact O-N 3.06Å; S44-D47 VanDerWaalsContact O-N 3.09Å; Q45-D47 VanDerWaalsContact C-N 3.25Å
48	P	91.6	Very high	92.1	Very high	114 Å²	114	63.7 Å²	63.7	74%	0.74	37%	0.366	S	S	*	.	S	Bend	cis	-67.8	152.1	5.5	30.3	-35.9	0	0	0	113.3	L46 P50	L46-P48 CarbonylContact C-O 3.32Å; L46-P48 VanDerWaalsContact C-O 3.32Å; L46-P48 CarbonylContact O-C 3.57Å; P48-P50 WeakPolarHBondContact O-CD 3.39Å
49	Q	95.3	Very high	92.2	Very high	120 Å²	120	63.1 Å²	63.1	56%	0.561	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-63	124.3	-177.8	-176	179.8	-51.2	0	0	111.3	L46 I74	L46-Q49 VanDerWaalsContact O-CA 3.24Å; L46-Q49 WeakPolarHBondContact O-CA 3.33Å; L46-Q49 PolarHBondContact O-N 3.49Å; Q49-I74 HydrophobicContact CG-CD1 3.85Å; Q49-I74 HydrophobicContact CG-CG1 3.85Å
50	P	95.5	Very high	92.5	Very high	39 Å²	39	61.7 Å²	61.7	25%	0.253	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-72.2	151.5	176.2	29.4	-34.7	0	0	0	111.8	L46 P48 L52 V53 I74	L46-P50 HydrophobicContact CD2-CG 4.03Å; P48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-L52 VanDerWaalsContact C-N 3.29Å; P50-L52 PolarHBondContact O-N 2.99Å; P50-V53 HydrophobicContact CB-CG2 4.46Å; P50-V53 HydrophobicContact CG-CG2 3.62Å; P50-I74 HydrophobicContact CG-CG2 4.2Å
51	D	96.8	Very high	92.8	Very high	156 Å²	156	67.8 Å²	67.8	83%	0.834	38%	0.378	S	S	*	.	S	Bend	trans	-67.7	-30.7	175.5	-64	-55.3	0	0	0	112.6	P75	D51-P75 WeakPolarHBondContact O-CG 3.35Å
52	L	97.3	Very high	93	Very high	61 Å²	61	68 Å²	68	32%	0.319	40%	0.397	S	S	.	.			trans	-154.2	138.6	-178	178.8	68	0	0	0	110.5	P50 P75 M77	P50-L52 VanDerWaalsContact C-N 3.29Å; P50-L52 PolarHBondContact O-N 2.99Å; L52-P75 CarbonylContact C-O 3.6Å; L52-P75 WeakPolarHBondContact CA-O 3.21Å; L52-P75 HydrophobicContact CD1-CB 4.13Å; L52-M77 HydrophobicContact CD1-CG 4.17Å; L52-M77 HydrophobicContact CD1-SD 4.1Å; L52-M77 HydrophobicContact CD2-CG 4.38Å; L52-M77 HydrophobicContact CD2-SD 3.72Å; L52-M77 HydrophobicContact CG-SD 4.46Å
53	V	96.8	Very high	93	Very high	27 Å²	27	64.2 Å²	64.2	16%	0.164	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	172.4	-178.4	0	0	0	0	110.6	L46 P50 I55 V69 I74 P75 Y76 M77	L46-V53 HydrophobicContact CD2-CG2 4.26Å; P50-V53 HydrophobicContact CB-CG2 4.46Å; P50-V53 HydrophobicContact CG-CG2 3.62Å; V53-I55 HydrophobicContact CG1-CG1 4.02Å; V53-V69 HydrophobicContact CB-CG1 4.42Å; V53-V69 HydrophobicContact CB-CG2 4.3Å; V53-V69 HydrophobicContact CG1-CG2 4.13Å; V53-V69 HydrophobicContact CG2-CG2 3.96Å; V53-I74 HydrophobicContact CG2-CG2 3.82Å; V53-P75 PolarHBondContact N-O 3.38Å; V53-Y76 CarbonylContact O-C 3.35Å; V53-Y76 WeakPolarHBondContact O-CA 3.43Å; V53-Y76 WeakPolarHBondContact O-CB 3.5Å; V53-M77 PolarHBondContact O-N 3.25Å
54	I	96.6	Very high	93.1	Very high	45 Å²	45	66.5 Å²	66.5	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.5	173.4	-53.7	177.8	0	0	0	108.9	M1 M77 W82	M1-I54 HydrophobicContact CE-CB 4.1Å; M1-I54 HydrophobicContact CE-CG2 3.67Å; M1-I54 HydrophobicContact SD-CG2 4.38Å; I54-M77 WeakPolarHBondContact CA-O 3.3Å; I54-W82 HydrophobicContact CD1-CB 4.01Å; I54-W82 HydrophobicContact CD1-CD2 3.77Å; I54-W82 HydrophobicContact CD1-CE3 4.48Å; I54-W82 HydrophobicContact CD1-CG 3.49Å; I54-W82 VanDerWaalsContact CD1-CG 3.49Å; I54-W82 HydrophobicContact CG1-CB 4.43Å; I54-W82 HydrophobicContact CG1-CG 4.23Å
55	I	95.5	Very high	93.2	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.036	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.2	-177.5	-58.2	-178.2	0	0	0	109.6	V53 M59 Y76 M77 F154 F155	V53-I55 HydrophobicContact CG1-CG1 4.02Å; I55-M59 HydrophobicContact CG2-CB 3.75Å; I55-M59 HydrophobicContact CG2-CG 4.21Å; I55-Y76 HydrophobicContact CD1-CD2 3.79Å; I55-Y76 HydrophobicContact CD1-CG 4.04Å; I55-M77 PolarHBondContact N-O 2.91Å; I55-F154 HydrophobicContact CD1-CE1 4.18Å; I55-F154 HydrophobicContact CG2-CD1 4.26Å; I55-F154 HydrophobicContact CG2-CE1 4.17Å; I55-F155 HydrophobicContact CB-CE1 3.99Å; I55-F155 HydrophobicContact CB-CZ 4.37Å; I55-F155 HydrophobicContact CD1-CE1 4.09Å; I55-F155 HydrophobicContact CG2-CE1 4.21Å
56	G	91.1	Very high	93.4	Very high	13 Å²	13	61.6 Å²	61.6	13%	0.134	36%	0.359	C	S	.	.			trans	-79	160.9	175.6	0	0	0	0	0	113.2	A58 M59	G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 3.23Å; G56-M59 WeakPolarHBondContact O-CB 3.09Å; G56-M59 PolarHBondContact O-N 2.96Å; G56-M59 VanDerWaalsContact O-N 3.14Å
57	N	87.8	Confident	93.6	Very high	47 Å²	47	63.8 Å²	63.8	25%	0.251	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.4	-175.6	71.4	-53.3	0	0	0	114.9	M59 D151	N57-M59 PolarHBondContact O-N 3.5Å; N57-D151 WeakPolarHBondContact CB-O 3.22Å
58	A	86.3	Confident	93.9	Very high	76 Å²	76	58.1 Å²	58.1	63%	0.628	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.7	173.4	0	0	0	0	0	113.4	G56	G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 3.23Å
59	M	90.2	Very high	94.2	Very high	30 Å²	30	52.8 Å²	52.8	15%	0.148	31%	0.306	C	S	.	.			trans	-85	136.2	-176.3	-63.6	-61.2	99.1	0	0	111.9	Y41 I55 G56 N57 V66	Y41-M59 HydrophobicContact CD1-SD 3.93Å; Y41-M59 HydrophobicContact CE1-CE 3.63Å; Y41-M59 HydrophobicContact CE1-SD 3.54Å; Y41-M59 VanDerWaalsContact CE1-SD 3.54Å; Y41-M59 HydrophobicContact CE2-CE 4.42Å; Y41-M59 WeakPolarHBondContact OH-CE 3.44Å; I55-M59 HydrophobicContact CG2-CB 3.75Å; I55-M59 HydrophobicContact CG2-CG 4.21Å; G56-M59 WeakPolarHBondContact O-CB 3.09Å; G56-M59 PolarHBondContact O-N 2.96Å; G56-M59 VanDerWaalsContact O-N 3.14Å; N57-M59 PolarHBondContact O-N 3.5Å; M59-V66 HydrophobicContact CB-CG2 4.01Å; M59-V66 HydrophobicContact CG-CG2 4.48Å
60	T	91	Very high	94.2	Very high	87 Å²	87	48.9 Å²	48.9	53%	0.534	29%	0.289	S	S	.	.			trans	-128.3	166.6	-179.4	58.7	0	0	0	0	111.6	N63	T60-N63 WeakPolarHBondContact O-CB 3.35Å; T60-N63 PolarHBondContact O-N 2.98Å
61	R	95.1	Very high	94.3	Very high	150 Å²	150	54.9 Å²	54.9	57%	0.566	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	144	170.3	-67.3	-60	-54.6	-78.7	2.9	110.5	E67 F154	R61-E67 WeakPolarHBondContact CA-OE1 3.27Å; R61-E67 IonicContact CZ-OE1 3.05Å; R61-E67 IonicContact CZ-OE2 3.68Å; R61-E67 IonicContact NE-OE1 3.41Å; R61-E67 PolarHBondContact NE-OE1 3.49Å; R61-E67 IonicContact NE-OE2 3.17Å; R61-E67 PolarHBondContact NE-OE2 3.45Å; R61-E67 IonicContact NH2-OE1 3.57Å; R61-E67 IonicContact NH2-OE2 2.71Å; R61-E67 PolarHBondContact NH2-OE2 3.45Å; R61-F154 HydrophobicContact CG-CD2 4.23Å; R61-F154 HydrophobicContact CG-CE2 4.24Å
62	G	93	Very high	94.3	Very high	61 Å²	61	52.4 Å²	52.4	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	-13.2	-172.2	0	0	0	0	0	113.8	E67	G62-E67 PolarHBondContact N-OE1 3.01Å
63	N	92.8	Very high	94.2	Very high	21 Å²	21	56.3 Å²	56.3	11%	0.112	32%	0.316	C	S	.	.			trans	-68.6	124.8	170.9	177.8	-68.5	0	0	0	110	Y41 T60 C65 V66 E67	Y41-N63 WeakPolarHBondContact CB-ND2 3.43Å; Y41-N63 WeakPolarHBondContact CB-OD1 3.49Å; Y41-N63 VanDerWaalsContact CD2-ND2 3.32Å; Y41-N63 WeakPolarHBondContact CD2-ND2 3.28Å; T60-N63 WeakPolarHBondContact O-CB 3.35Å; T60-N63 PolarHBondContact O-N 2.98Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 3.28Å; N63-C65 PolarHBondContact OD1-N 2.95Å; N63-V66 HydrophobicContact CB-CB 4.01Å; N63-V66 HydrophobicContact CB-CG2 3.83Å; N63-V66 PolarHBondContact O-N 3.42Å; N63-V66 VanDerWaalsContact O-N 3.08Å; N63-V66 PolarHBondContact OD1-N 3.21Å; N63-E67 WeakPolarHBondContact O-CG 3.43Å; N63-E67 PolarHBondContact O-N 3Å
64	P	93.3	Very high	94.2	Very high	79 Å²	79	55.1 Å²	55.1	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-38.3	-172.3	-25.2	33.2	0	0	0	114.7	A68	P64-A68 WeakPolarHBondContact O-CB 3.49Å; P64-A68 PolarHBondContact O-N 3.32Å
65	C	94.5	Very high	94.3	Very high	13 Å²	13	56.3 Å²	56.3	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-42.6	177.2	-166.3	0	0	0	0	111.2	Y41 N63 E67 A68 V69	Y41-C65 WeakPolarHBondContact O-CB 3.4Å; Y41-C65 PolarHBondContact O-N 2.83Å; Y41-C65 VanDerWaalsContact O-N 3.15Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 3.28Å; N63-C65 PolarHBondContact OD1-N 2.95Å; C65-E67 PolarHBondContact O-N 3.31Å; C65-A68 PolarHBondContact O-N 2.91Å; C65-V69 WeakPolarHBondContact O-CG2 3.36Å; C65-V69 PolarHBondContact O-N 3.08Å
66	V	96.4	Very high	94.3	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-45.8	174.9	174.9	0	0	0	0	111.3	M59 N63 A68 V69 L70 F154	M59-V66 HydrophobicContact CB-CG2 4.01Å; M59-V66 HydrophobicContact CG-CG2 4.48Å; N63-V66 HydrophobicContact CB-CB 4.01Å; N63-V66 HydrophobicContact CB-CG2 3.83Å; N63-V66 PolarHBondContact O-N 3.42Å; N63-V66 VanDerWaalsContact O-N 3.08Å; N63-V66 PolarHBondContact OD1-N 3.21Å; V66-A68 VanDerWaalsContact C-N 3.3Å; V66-A68 PolarHBondContact O-N 2.75Å; V66-V69 PolarHBondContact O-N 3.05Å; V66-L70 HydrophobicContact CG1-CD1 4.3Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.91Å; V66-L70 VanDerWaalsContact O-N 3.14Å; V66-F154 HydrophobicContact CG1-CD1 4.49Å; V66-F154 HydrophobicContact CG1-CE1 3.58Å; V66-F154 HydrophobicContact CG1-CZ 3.87Å
67	E	97.6	Very high	94.6	Very high	54 Å²	54	60.4 Å²	60.4	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-39.7	177.9	-62.4	-49.1	135.9	0	0	111.5	R61 G62 N63 C65 L70 E71	R61-E67 WeakPolarHBondContact CA-OE1 3.27Å; R61-E67 IonicContact CZ-OE1 3.05Å; R61-E67 IonicContact CZ-OE2 3.68Å; R61-E67 IonicContact NE-OE1 3.41Å; R61-E67 PolarHBondContact NE-OE1 3.49Å; R61-E67 IonicContact NE-OE2 3.17Å; R61-E67 PolarHBondContact NE-OE2 3.45Å; R61-E67 IonicContact NH2-OE1 3.57Å; R61-E67 IonicContact NH2-OE2 2.71Å; R61-E67 PolarHBondContact NH2-OE2 3.45Å; G62-E67 PolarHBondContact N-OE1 3.01Å; N63-E67 WeakPolarHBondContact O-CG 3.43Å; N63-E67 PolarHBondContact O-N 3Å; C65-E67 PolarHBondContact O-N 3.31Å; E67-L70 PolarHBondContact O-N 3.26Å; E67-E71 WeakPolarHBondContact O-CB 3.43Å; E67-E71 PolarHBondContact O-N 3.2Å
68	A	96.8	Very high	95	Very high	14 Å²	14	58.2 Å²	58.2	12%	0.116	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-38.3	177	0	0	0	0	0	113.2	A43 L46 P64 C65 V66 L70 E71 K72	A43-A68 HydrophobicContact CB-CB 3.61Å; L46-A68 HydrophobicContact CD1-CB 3.75Å; P64-A68 WeakPolarHBondContact O-CB 3.49Å; P64-A68 PolarHBondContact O-N 3.32Å; C65-A68 PolarHBondContact O-N 2.91Å; V66-A68 VanDerWaalsContact C-N 3.3Å; V66-A68 PolarHBondContact O-N 2.75Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-E71 PolarHBondContact O-N 2.77Å; A68-K72 VanDerWaalsContact O-CB 3.28Å; A68-K72 WeakPolarHBondContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CG 3.12Å; A68-K72 PolarHBondContact O-N 3.02Å
69	V	97.5	Very high	95.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-45	173.6	168.6	0	0	0	0	110.8	L46 V53 C65 V66 N73 I74 Y76	L46-V69 HydrophobicContact CD1-CG2 3.74Å; L46-V69 HydrophobicContact CD2-CG2 4.11Å; V53-V69 HydrophobicContact CB-CG1 4.42Å; V53-V69 HydrophobicContact CB-CG2 4.3Å; V53-V69 HydrophobicContact CG1-CG2 4.13Å; V53-V69 HydrophobicContact CG2-CG2 3.96Å; C65-V69 WeakPolarHBondContact O-CG2 3.36Å; C65-V69 PolarHBondContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 3.05Å; V69-N73 PolarHBondContact O-N 3.42Å; V69-I74 HydrophobicContact CG1-CB 4.22Å; V69-I74 PolarHBondContact O-N 2.84Å; V69-Y76 HydrophobicContact CG1-CD1 3.93Å; V69-Y76 HydrophobicContact CG1-CG 4.12Å
70	L	97.2	Very high	95.7	Very high	39 Å²	39	53.6 Å²	53.6	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-47.2	178.5	-64.1	175.9	0	0	0	112	V66 E67 A68 K72 N73 Y76 F154	V66-L70 HydrophobicContact CG1-CD1 4.3Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.91Å; V66-L70 VanDerWaalsContact O-N 3.14Å; E67-L70 PolarHBondContact O-N 3.26Å; A68-L70 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 2.79Å; L70-N73 PolarHBondContact O-N 3.29Å; L70-N73 VanDerWaalsContact O-N 3.1Å; L70-Y76 HydrophobicContact CD2-CD1 4.3Å; L70-Y76 HydrophobicContact CD2-CE1 3.53Å; L70-F154 HydrophobicContact CD1-CZ 4.38Å
71	E	97	Very high	96	Very high	164 Å²	164	52.6 Å²	52.6	77%	0.766	28%	0.276	S	S	*	.	H	α-helix	trans	-64	-41.4	-177.8	-169	65.3	-147.3	0	0	111.9	E67 A68 N73	E67-E71 WeakPolarHBondContact O-CB 3.43Å; E67-E71 PolarHBondContact O-N 3.2Å; A68-E71 PolarHBondContact O-N 2.77Å; E71-N73 PolarHBondContact O-N 3.49Å
72	K	95.9	Very high	96	Very high	105 Å²	105	45.8 Å²	45.8	46%	0.457	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.8	176.9	-66.3	179.1	178.4	-178.5	0	113.1	A68 L70 I74	A68-K72 VanDerWaalsContact O-CB 3.28Å; A68-K72 WeakPolarHBondContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CG 3.12Å; A68-K72 PolarHBondContact O-N 3.02Å; L70-K72 PolarHBondContact O-N 2.79Å; K72-I74 HydrophobicContact CB-CD1 3.95Å; K72-I74 HydrophobicContact CB-CG1 3.77Å; K72-I74 HydrophobicContact CD-CD1 3.99Å; K72-I74 PolarHBondContact O-N 3.42Å
73	N	95.8	Very high	96.2	Very high	142 Å²	142	43 Å²	43	76%	0.759	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	40.1	-173	-69.1	-69.8	0	0	0	113.1	V69 L70 E71	V69-N73 PolarHBondContact O-N 3.42Å; L70-N73 PolarHBondContact O-N 3.29Å; L70-N73 VanDerWaalsContact O-N 3.1Å; E71-N73 PolarHBondContact O-N 3.49Å
74	I	97.5	Very high	96.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	23%	0.225	C	C	.	.			trans	-70.3	134.6	175.5	-61.9	170.4	0	0	0	107.8	L46 Q49 P50 V53 V69 K72 Y76	L46-I74 HydrophobicContact CB-CD1 4.33Å; L46-I74 HydrophobicContact CD1-CD1 4.18Å; Q49-I74 HydrophobicContact CG-CD1 3.85Å; Q49-I74 HydrophobicContact CG-CG1 3.85Å; P50-I74 HydrophobicContact CG-CG2 4.2Å; V53-I74 HydrophobicContact CG2-CG2 3.82Å; V69-I74 HydrophobicContact CG1-CB 4.22Å; V69-I74 PolarHBondContact O-N 2.84Å; K72-I74 HydrophobicContact CB-CD1 3.95Å; K72-I74 HydrophobicContact CB-CG1 3.77Å; K72-I74 HydrophobicContact CD-CD1 3.99Å; K72-I74 PolarHBondContact O-N 3.42Å; I74-Y76 WeakPolarHBondContact O-CD1 3.47Å; I74-Y76 PolarHBondContact O-N 3.1Å
75	P	97.8	Very high	96.4	Very high	69 Å²	69	43.3 Å²	43.3	45%	0.448	22%	0.217	S	C	.	.			trans	-54.8	132.3	176.4	-25.6	35.1	0	0	0	111.3	D51 L52 V53	D51-P75 WeakPolarHBondContact O-CG 3.35Å; L52-P75 CarbonylContact C-O 3.6Å; L52-P75 WeakPolarHBondContact CA-O 3.21Å; L52-P75 HydrophobicContact CD1-CB 4.13Å; V53-P75 PolarHBondContact N-O 3.38Å
76	Y	96.9	Very high	96.4	Very high	92 Å²	92	47.7 Å²	47.7	36%	0.361	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.7	178.5	71	-88.8	0	0	0	112.3	V53 I55 V69 L70 I74 F155	V53-Y76 CarbonylContact O-C 3.35Å; V53-Y76 WeakPolarHBondContact O-CA 3.43Å; V53-Y76 WeakPolarHBondContact O-CB 3.5Å; I55-Y76 HydrophobicContact CD1-CD2 3.79Å; I55-Y76 HydrophobicContact CD1-CG 4.04Å; V69-Y76 HydrophobicContact CG1-CD1 3.93Å; V69-Y76 HydrophobicContact CG1-CG 4.12Å; L70-Y76 HydrophobicContact CD2-CD1 4.3Å; L70-Y76 HydrophobicContact CD2-CE1 3.53Å; I74-Y76 WeakPolarHBondContact O-CD1 3.47Å; I74-Y76 PolarHBondContact O-N 3.1Å; Y76-F155 HydrophobicContact CD2-CD1 4.26Å; Y76-F155 AromaticContact CD2-CE1 3.7Å; Y76-F155 HydrophobicContact CD2-CE1 3.7Å; Y76-F155 HydrophobicContact CD2-CE2 4.4Å; Y76-F155 AromaticContact CD2-CZ 3.78Å; Y76-F155 HydrophobicContact CD2-CZ 3.78Å; Y76-F155 AromaticContact CE2-CD1 3.74Å; Y76-F155 HydrophobicContact CE2-CD1 3.74Å; Y76-F155 HydrophobicContact CE2-CD2 4.31Å; Y76-F155 AromaticContact CE2-CE1 3.66Å; Y76-F155 HydrophobicContact CE2-CE1 3.66Å; Y76-F155 HydrophobicContact CE2-CE2 4.24Å; Y76-F155 HydrophobicContact CE2-CG 4.08Å; Y76-F155 AromaticContact CE2-CZ 3.92Å; Y76-F155 HydrophobicContact CE2-CZ 3.92Å
77	M	97	Very high	96.3	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	170.9	175.1	71.5	-165.8	-44.1	0	0	111.9	L52 V53 I54 I55 Q81 W82 D85 F86	L52-M77 HydrophobicContact CD1-CG 4.17Å; L52-M77 HydrophobicContact CD1-SD 4.1Å; L52-M77 HydrophobicContact CD2-CG 4.38Å; L52-M77 HydrophobicContact CD2-SD 3.72Å; L52-M77 HydrophobicContact CG-SD 4.46Å; V53-M77 PolarHBondContact O-N 3.25Å; I54-M77 WeakPolarHBondContact CA-O 3.3Å; I55-M77 PolarHBondContact N-O 2.91Å; M77-Q81 HydrophobicContact CE-CB 3.99Å; M77-Q81 VanDerWaalsContact CE-CD 3.49Å; M77-Q81 HydrophobicContact CE-CG 3.55Å; M77-W82 HydrophobicContact CG-CB 4.16Å; M77-W82 HydrophobicContact SD-CB 3.9Å; M77-W82 HydrophobicContact SD-CG 4.3Å; M77-D85 VanDerWaalsContact CE-OD2 3.29Å; M77-D85 WeakPolarHBondContact CE-OD2 2.93Å; M77-F86 HydrophobicContact CE-CE2 4.33Å; M77-F86 HydrophobicContact SD-CE2 3.94Å
78	S	96.7	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	152.5	175.6	74.5	0	0	0	0	110.9	Q81 W82	S78-Q81 PolarHBondContact O-N 3.13Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 PolarHBondContact OG-N 3.07Å; S78-W82 PolarHBondContact O-N 3.05Å
79	G	94.9	Very high	95.9	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-53.8	-46.6	174.3	0	0	0	0	0	114.2	L4 Q81 W82 L83	L4-G79 VanDerWaalsContact CD2-C 3.49Å; L4-G79 VanDerWaalsContact CD2-O 3.28Å; L4-G79 WeakPolarHBondContact CD2-O 3.46Å; G79-Q81 VanDerWaalsContact C-N 3.35Å; G79-Q81 PolarHBondContact O-N 3.06Å; G79-W82 WeakPolarHBondContact O-CB 3.4Å; G79-W82 PolarHBondContact O-N 3.06Å; G79-L83 PolarHBondContact O-N 2.74Å
80	P	95.7	Very high	95.5	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-41.2	175.7	-24.9	33.7	0	0	0	113.6	W82 L83 H84 C152 K160 H163 Y164	P80-W82 VanDerWaalsContact C-N 3.33Å; P80-W82 PolarHBondContact O-N 2.86Å; P80-L83 WeakPolarHBondContact O-CB 3.33Å; P80-L83 PolarHBondContact O-N 3.32Å; P80-H84 PolarHBondContact O-N 2.88Å; P80-C152 HydrophobicContact CG-CB 4.06Å; P80-K160 HydrophobicContact CB-CB 4.11Å; P80-K160 HydrophobicContact CG-CB 3.56Å; P80-K160 HydrophobicContact CG-CD 4.23Å; P80-K160 HydrophobicContact CG-CG 3.47Å; P80-K160 VanDerWaalsContact CG-CG 3.47Å; P80-H163 HydrophobicContact CB-CB 3.86Å; P80-H163 WeakPolarHBondContact O-CB 3.46Å; P80-Y164 HydrophobicContact CB-CE1 4Å
81	Q	96.1	Very high	95.4	Very high	66 Å²	66	60.8 Å²	60.8	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-39.3	176.7	-168.8	-170	-15.6	0	0	111.2	M77 S78 G79 L83 H84 D85	M77-Q81 HydrophobicContact CE-CB 3.99Å; M77-Q81 VanDerWaalsContact CE-CD 3.49Å; M77-Q81 HydrophobicContact CE-CG 3.55Å; S78-Q81 PolarHBondContact O-N 3.13Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 PolarHBondContact OG-N 3.07Å; G79-Q81 VanDerWaalsContact C-N 3.35Å; G79-Q81 PolarHBondContact O-N 3.06Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.27Å; Q81-H84 WeakPolarHBondContact O-CB 3.48Å; Q81-H84 PolarHBondContact O-N 2.69Å; Q81-D85 PolarHBondContact O-N 2.82Å
82	W	96.5	Very high	95.5	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.027	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-43.1	174.3	-175.4	90.4	0	0	0	111.7	L4 L7 A8 L11 I54 M77 S78 G79 P80 H84 D85 F86 V87	L4-W82 HydrophobicContact CG-CE3 4.44Å; L7-W82 HydrophobicContact CB-CH2 4.31Å; L7-W82 HydrophobicContact CB-CZ3 4.27Å; A8-W82 HydrophobicContact CB-CH2 3.63Å; A8-W82 HydrophobicContact CB-CZ2 3.56Å; L11-W82 HydrophobicContact CD1-CH2 3.95Å; L11-W82 HydrophobicContact CD1-CZ2 4.23Å; I54-W82 HydrophobicContact CD1-CB 4.01Å; I54-W82 HydrophobicContact CD1-CD2 3.77Å; I54-W82 HydrophobicContact CD1-CE3 4.48Å; I54-W82 HydrophobicContact CD1-CG 3.49Å; I54-W82 VanDerWaalsContact CD1-CG 3.49Å; I54-W82 HydrophobicContact CG1-CB 4.43Å; I54-W82 HydrophobicContact CG1-CG 4.23Å; M77-W82 HydrophobicContact CG-CB 4.16Å; M77-W82 HydrophobicContact SD-CB 3.9Å; M77-W82 HydrophobicContact SD-CG 4.3Å; S78-W82 PolarHBondContact O-N 3.05Å; G79-W82 WeakPolarHBondContact O-CB 3.4Å; G79-W82 PolarHBondContact O-N 3.06Å; P80-W82 VanDerWaalsContact C-N 3.33Å; P80-W82 PolarHBondContact O-N 2.86Å; W82-H84 VanDerWaalsContact C-N 3.33Å; W82-H84 PolarHBondContact O-N 3.14Å; W82-D85 PolarHBondContact O-N 2.98Å; W82-F86 HydrophobicContact CB-CD2 4.45Å; W82-F86 AromaticContact CD1-CD2 3.31Å; W82-F86 AromaticContact CD1-CE2 3.54Å; W82-F86 HydrophobicContact CD2-CB 4.47Å; W82-F86 HydrophobicContact CD2-CD2 4.14Å; W82-F86 AromaticContact CE2-CD2 3.93Å; W82-F86 AromaticContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CE2 4.31Å; W82-F86 HydrophobicContact CZ2-CB 4.18Å; W82-F86 AromaticContact NE1-CD2 3.42Å; W82-F86 AromaticContact NE1-CE2 3.83Å; W82-F86 AromaticContact NE1-CG 3.93Å; W82-F86 WeakPolarHBondContact O-CB 3.45Å; W82-F86 VanDerWaalsContact O-CD2 3.32Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 PolarHBondContact O-N 2.93Å; W82-V87 HydrophobicContact CE3-CG2 4.45Å; W82-V87 HydrophobicContact CH2-CG2 3.95Å; W82-V87 HydrophobicContact CZ3-CG2 3.68Å
83	L	95.8	Very high	95.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-44.5	174.6	-79.6	173.1	0	0	0	112	L4 L7 G79 P80 Q81 V87 L88 I145 Y164	L4-L83 HydrophobicContact CD1-CD1 3.81Å; L4-L83 HydrophobicContact CD1-CD2 4.42Å; L4-L83 HydrophobicContact CD1-CG 4.19Å; L4-L83 HydrophobicContact CD2-CD1 4.29Å; L4-L83 HydrophobicContact CD2-CG 4.1Å; L4-L83 HydrophobicContact CG-CD1 4.03Å; L4-L83 HydrophobicContact CG-CD2 4.07Å; L4-L83 HydrophobicContact CG-CG 3.85Å; L7-L83 HydrophobicContact CD1-CD2 3.72Å; G79-L83 PolarHBondContact O-N 2.74Å; P80-L83 WeakPolarHBondContact O-CB 3.33Å; P80-L83 PolarHBondContact O-N 3.32Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.27Å; L83-V87 HydrophobicContact CD2-CB 4.3Å; L83-V87 HydrophobicContact CD2-CG2 4.16Å; L83-V87 CarbonylContact O-C 3.52Å; L83-V87 WeakPolarHBondContact O-CA 3.35Å; L83-V87 WeakPolarHBondContact O-CB 3.44Å; L83-V87 PolarHBondContact O-N 3.36Å; L83-L88 HydrophobicContact CB-CD1 3.95Å; L83-L88 HydrophobicContact CB-CG 4.27Å; L83-L88 WeakPolarHBondContact O-CB 3.4Å; L83-L88 WeakPolarHBondContact O-CG 3.26Å; L83-L88 PolarHBondContact O-N 2.8Å; L83-I145 HydrophobicContact CD1-CD1 3.8Å; L83-Y164 HydrophobicContact CD1-CE1 4.05Å
84	H	95.5	Very high	95.7	Very high	44 Å²	44	45 Å²	45	20%	0.204	21%	0.207	C	C	.	.	I	π-helix	trans	-54.8	-59.6	174.2	176.6	-97	0	0	0	111	P80 Q81 W82 F86 R89 H163 C165	P80-H84 PolarHBondContact O-N 2.88Å; Q81-H84 WeakPolarHBondContact O-CB 3.48Å; Q81-H84 PolarHBondContact O-N 2.69Å; W82-H84 VanDerWaalsContact C-N 3.33Å; W82-H84 PolarHBondContact O-N 3.14Å; H84-F86 PolarHBondContact O-N 2.6Å; H84-R89 VanDerWaalsContact O-CB 3.25Å; H84-R89 WeakPolarHBondContact O-CB 3.45Å; H84-R89 PolarHBondContact O-N 3.11Å; H84-R89 VanDerWaalsContact O-N 3.12Å; H84-H163 HydrophobicContact CB-CB 4.11Å; H84-H163 WeakPolarHBondContact CB-O 3.45Å; H84-H163 PolarHBondContact CD2-O 3.14Å; H84-H163 VanDerWaalsContact CD2-O 3.24Å; H84-C165 PolarHBondContact CD2-SG 3.37Å; H84-C165 PolarHBondContact NE2-SG 3.39Å; H84-C165 VanDerWaalsContact NE2-SG 3.42Å
85	D	95.1	Very high	95.8	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	21%	0.206	S	C	.	.	I	π-helix	trans	-69.2	-32.2	-167.1	-70.6	-13.8	0	0	0	112.9	M77 Q81 W82	M77-D85 VanDerWaalsContact CE-OD2 3.29Å; M77-D85 WeakPolarHBondContact CE-OD2 2.93Å; Q81-D85 PolarHBondContact O-N 2.82Å; W82-D85 PolarHBondContact O-N 2.98Å
86	F	94.4	Very high	95.8	Very high	105 Å²	105	41.6 Å²	41.6	46%	0.461	19%	0.185	S	C	.	.	I	π-helix	trans	-114.7	-15.2	-170.3	-61.3	-81.1	0	0	0	115.2	M77 W82 H84	M77-F86 HydrophobicContact CE-CE2 4.33Å; M77-F86 HydrophobicContact SD-CE2 3.94Å; W82-F86 HydrophobicContact CB-CD2 4.45Å; W82-F86 AromaticContact CD1-CD2 3.31Å; W82-F86 AromaticContact CD1-CE2 3.54Å; W82-F86 HydrophobicContact CD2-CB 4.47Å; W82-F86 HydrophobicContact CD2-CD2 4.14Å; W82-F86 AromaticContact CE2-CD2 3.93Å; W82-F86 AromaticContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CE2 4.31Å; W82-F86 HydrophobicContact CZ2-CB 4.18Å; W82-F86 AromaticContact NE1-CD2 3.42Å; W82-F86 AromaticContact NE1-CE2 3.83Å; W82-F86 AromaticContact NE1-CG 3.93Å; W82-F86 WeakPolarHBondContact O-CB 3.45Å; W82-F86 VanDerWaalsContact O-CD2 3.32Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 PolarHBondContact O-N 2.93Å; H84-F86 PolarHBondContact O-N 2.6Å
87	V	94.6	Very high	95.8	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	17%	0.168	C	C	.	.	I	π-helix	trans	-126.6	-51.5	-174.3	-174.9	0	0	0	0	112.6	L11 W82 L83 R91 L137 F143	L11-V87 HydrophobicContact CD1-CG2 4.11Å; W82-V87 HydrophobicContact CE3-CG2 4.45Å; W82-V87 HydrophobicContact CH2-CG2 3.95Å; W82-V87 HydrophobicContact CZ3-CG2 3.68Å; L83-V87 HydrophobicContact CD2-CB 4.3Å; L83-V87 HydrophobicContact CD2-CG2 4.16Å; L83-V87 CarbonylContact O-C 3.52Å; L83-V87 WeakPolarHBondContact O-CA 3.35Å; L83-V87 WeakPolarHBondContact O-CB 3.44Å; L83-V87 PolarHBondContact O-N 3.36Å; V87-R91 WeakPolarHBondContact O-CG 3.37Å; V87-L137 HydrophobicContact CG1-CD1 4.07Å; V87-F143 HydrophobicContact CG1-CD2 4.09Å; V87-F143 HydrophobicContact CG1-CE2 3.55Å; V87-F143 HydrophobicContact CG1-CZ 3.95Å
88	L	96	Very high	95.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	16%	0.164	C	C	.	.	I	π-helix	trans	-91.8	-30	-162.3	-62.4	-179.4	0	0	0	114	L83 D90 R91 V93 F143 I145 Y164	L83-L88 HydrophobicContact CB-CD1 3.95Å; L83-L88 HydrophobicContact CB-CG 4.27Å; L83-L88 WeakPolarHBondContact O-CB 3.4Å; L83-L88 WeakPolarHBondContact O-CG 3.26Å; L83-L88 PolarHBondContact O-N 2.8Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 3.41Å; L88-D90 VanDerWaalsContact O-N 3.08Å; L88-R91 PolarHBondContact O-N 3.36Å; L88-V93 HydrophobicContact CB-CG2 4Å; L88-V93 HydrophobicContact CD2-CG2 3.95Å; L88-V93 HydrophobicContact CG-CG2 4.45Å; L88-F143 HydrophobicContact CD2-CB 4.16Å; L88-F143 HydrophobicContact CD2-CD1 3.33Å; L88-F143 HydrophobicContact CD2-CD2 4.24Å; L88-F143 HydrophobicContact CD2-CE1 3.7Å; L88-F143 HydrophobicContact CD2-CG 3.63Å; L88-F143 HydrophobicContact CD2-CZ 4.29Å; L88-I145 HydrophobicContact CD1-CD1 4.13Å; L88-Y164 HydrophobicContact CD1-CD1 3.79Å; L88-Y164 HydrophobicContact CD1-CG 4.18Å
89	R	90.3	Very high	95.4	Very high	169 Å²	169	36.9 Å²	36.9	64%	0.638	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-41.4	-169.8	-179.9	176.3	-179.6	172.6	1	115	H84	H84-R89 VanDerWaalsContact O-CB 3.25Å; H84-R89 WeakPolarHBondContact O-CB 3.45Å; H84-R89 PolarHBondContact O-N 3.11Å; H84-R89 VanDerWaalsContact O-N 3.12Å
90	D	89.4	Confident	95.2	Very high	147 Å²	147	38.1 Å²	38.1	79%	0.786	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	7.2	-176.6	-59.5	-45.9	0	0	0	113.3	L88	L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 3.41Å; L88-D90 VanDerWaalsContact O-N 3.08Å
91	R	95.2	Very high	94.9	Very high	62 Å²	62	38.5 Å²	38.5	23%	0.234	18%	0.177	C	C	.	.	S	Bend	trans	-97.3	157	-179.8	-63	-72.2	-179.1	124.5	8.1	111.1	V87 L88 V93 L137 S140 N141 F143	V87-R91 WeakPolarHBondContact O-CG 3.37Å; L88-R91 PolarHBondContact O-N 3.36Å; R91-V93 HydrophobicContact CB-CG2 4.28Å; R91-V93 PolarHBondContact O-N 2.62Å; R91-L137 PolarHBondContact NH1-O 3.21Å; R91-L137 VanDerWaalsContact NH1-O 3.11Å; R91-S140 PolarHBondContact NH1-O 3.41Å; R91-N141 CarbonylContact C-O 3.57Å; R91-N141 WeakPolarHBondContact CA-O 3.04Å; R91-N141 WeakPolarHBondContact CB-O 3.24Å; R91-N141 WeakPolarHBondContact CD-O 3.11Å; R91-F143 HydrophobicContact CB-CB 4.14Å
92	W	97.5	Very high	94.8	Very high	79 Å²	79	36.5 Å²	36.5	30%	0.299	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	98.9	163	-168.6	-59.6	0	0	0	109.1	N141 F142 F143 R167 T168 H281	W92-N141 PolarHBondContact N-O 2.87Å; W92-F142 HydrophobicContact CB-CD1 3.68Å; W92-F142 HydrophobicContact CB-CE1 3.87Å; W92-F142 AromaticContact CD1-CD1 3.96Å; W92-F142 HydrophobicContact CD2-CE1 4.08Å; W92-F142 AromaticContact CG-CD1 3.81Å; W92-F142 HydrophobicContact CG-CD1 3.81Å; W92-F142 AromaticContact CG-CE1 3.74Å; W92-F142 HydrophobicContact CG-CE1 3.74Å; W92-F142 WeakPolarHBondContact O-CA 3.34Å; W92-F143 PolarHBondContact O-N 3.05Å; W92-R167 HydrophobicContact CD2-CB 4.09Å; W92-R167 HydrophobicContact CD2-CG 3.8Å; W92-R167 VanDerWaalsContact CE2-CG 3.48Å; W92-R167 HydrophobicContact CE3-CG 4.19Å; W92-R167 HydrophobicContact CG-CB 4.11Å; W92-R167 HydrophobicContact CG-CG 4.35Å; W92-R167 HydrophobicContact CH2-CG 4.09Å; W92-R167 HydrophobicContact CZ2-CB 4.47Å; W92-R167 HydrophobicContact CZ2-CG 3.66Å; W92-R167 HydrophobicContact CZ3-CG 4.32Å; W92-T168 PolarHBondContact NE1-OG1 3.1Å; W92-T168 VanDerWaalsContact NE1-OG1 3.09Å; W92-H281 AromaticContact CZ2-CE1 3.58Å; W92-H281 AromaticContact CZ2-ND1 3.94Å; W92-H281 AromaticContact CZ2-NE2 3.76Å
93	V	98.5	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127	-176.2	-175	0	0	0	0	111.3	L88 R91 A95 F143 I145 Y164 R167 T168	L88-V93 HydrophobicContact CB-CG2 4Å; L88-V93 HydrophobicContact CD2-CG2 3.95Å; L88-V93 HydrophobicContact CG-CG2 4.45Å; R91-V93 HydrophobicContact CB-CG2 4.28Å; R91-V93 PolarHBondContact O-N 2.62Å; V93-A95 HydrophobicContact CG1-CB 4.43Å; V93-F143 CarbonylContact C-O 3.59Å; V93-F143 WeakPolarHBondContact CA-O 3.34Å; V93-F143 HydrophobicContact CG2-CB 4.49Å; V93-I145 HydrophobicContact CG1-CG2 3.62Å; V93-Y164 WeakPolarHBondContact CG1-O 3.35Å; V93-R167 PolarHBondContact O-N 2.93Å; V93-T168 PolarHBondContact O-N 3.22Å
94	L	98.6	Very high	94.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	101.3	164.4	-62.3	82.8	0	0	0	107.9	L113 F142 F143 V144 I145 T168 A278 V282	L94-L113 HydrophobicContact CD1-CD1 4.16Å; L94-L113 HydrophobicContact CD2-CD1 4.2Å; L94-F142 HydrophobicContact CD1-CB 4.45Å; L94-F142 HydrophobicContact CD1-CD1 4.26Å; L94-F143 PolarHBondContact N-O 2.99Å; L94-V144 HydrophobicContact CB-CG2 4.3Å; L94-V144 HydrophobicContact CD1-CG2 4.43Å; L94-V144 WeakPolarHBondContact O-CA 3.35Å; L94-I145 PolarHBondContact O-N 3.35Å; L94-T168 CarbonylContact C-O 3.52Å; L94-T168 VanDerWaalsContact CA-O 3.3Å; L94-T168 WeakPolarHBondContact CA-O 3.47Å; L94-A278 HydrophobicContact CD2-CB 4.35Å; L94-V282 HydrophobicContact CD1-CG1 4.03Å; L94-V282 HydrophobicContact CD2-CG1 4.19Å; L94-V282 HydrophobicContact CG-CG1 4.28Å
95	A	98.4	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.2	178.9	0	0	0	0	0	110.7	V93 I145 A147 P166 T168 L169 I170	V93-A95 HydrophobicContact CG1-CB 4.43Å; A95-I145 WeakPolarHBondContact CA-O 3.49Å; A95-I145 HydrophobicContact CB-CG2 4.12Å; A95-A147 HydrophobicContact CB-CB 4.2Å; A95-P166 HydrophobicContact CB-CB 3.75Å; A95-P166 HydrophobicContact CB-CG 4.35Å; A95-T168 PolarHBondContact N-O 3.18Å; A95-L169 HydrophobicContact CB-CD1 4.13Å; A95-I170 PolarHBondContact O-N 2.83Å
96	V	98.4	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.6	-177.9	-174.6	0	0	0	0	110.1	T105 A106 I145 A147 I170	V96-T105 HydrophobicContact CG1-CG2 3.79Å; V96-A106 HydrophobicContact CB-CB 4.16Å; V96-A106 HydrophobicContact CG2-CB 3.92Å; V96-I145 PolarHBondContact N-O 3.11Å; V96-A147 PolarHBondContact O-N 2.96Å; V96-I170 HydrophobicContact CG1-CB 4.39Å; V96-I170 HydrophobicContact CG2-CD1 3.98Å
97	A	97.2	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	162.8	179.7	0	0	0	0	0	111.6	A147 L169 I170 L171 N172 F192 L195	A97-A147 HydrophobicContact CB-CB 3.62Å; A97-L169 HydrophobicContact CB-CD1 4.43Å; A97-I170 PolarHBondContact N-O 3.33Å; A97-L171 HydrophobicContact CB-CD2 3.76Å; A97-N172 PolarHBondContact O-N 2.98Å; A97-F192 HydrophobicContact CB-CE1 3.91Å; A97-F192 HydrophobicContact CB-CZ 4.31Å; A97-L195 HydrophobicContact CB-CD2 4.09Å
98	G	94	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	139.4	157.7	173	0	0	0	0	0	111.8	H100 K102 N173	G98-H100 VanDerWaalsContact C-N 3.26Å; G98-H100 PolarHBondContact O-N 2.79Å; G98-K102 WeakPolarHBondContact O-CD 3.1Å; G98-K102 WeakPolarHBondContact O-CE 3.33Å; G98-K102 WeakPolarHBondContact O-CG 3.3Å; G98-K102 PolarHBondContact O-NZ 2.82Å; G98-N173 WeakPolarHBondContact CA-O 3.29Å
99	T	91.3	Very high	94.8	Very high	8 Å²	8	26.7 Å²	26.7	5%	0.049	12%	0.123	C	C	.	.	S	Bend	trans	-61.6	-38.9	-179	-50.4	0	0	0	0	111	N173 E175 D177	T99-N173 WeakPolarHBondContact CB-OD1 3.49Å; T99-N173 PolarHBondContact N-O 2.94Å; T99-N173 PolarHBondContact N-OD1 3Å; T99-N173 VanDerWaalsContact N-OD1 3.07Å; T99-E175 HydrophobicContact CG2-CB 4.29Å; T99-E175 PolarHBondContact OG1-N 3.01Å; T99-E175 PolarHBondContact OG1-O 3.28Å; T99-D177 HydrophobicContact CG2-CB 3.48Å; T99-D177 VanDerWaalsContact CG2-CB 3.48Å
100	H	89.9	Confident	95.2	Very high	29 Å²	29	18.7 Å²	18.7	13%	0.134	9%	0.092	C	C	.	.	S	Bend	trans	-128.5	154.7	-177.1	-55.1	-37.7	0	0	0	112.9	G98 K102 N172 N173 E175 H321	G98-H100 VanDerWaalsContact C-N 3.26Å; G98-H100 PolarHBondContact O-N 2.79Å; H100-K102 VanDerWaalsContact C-N 3.33Å; H100-K102 PolarHBondContact O-N 3.32Å; H100-N172 PolarHBondContact O-ND2 2.77Å; H100-N173 PolarHBondContact N-OD1 3.28Å; H100-N173 PolarHBondContact O-ND2 3Å; H100-E175 IonicContact NE2-OE2 3.11Å; H100-H321 AromaticContact CE1-CG 3.64Å; H100-H321 AromaticContact CE1-ND1 3.65Å; H100-H321 AromaticContact NE2-CG 3.68Å; H100-H321 AromaticContact NE2-ND1 3.2Å; H100-H321 PolarHBondContact NE2-ND1 3.09Å; H100-H321 VanDerWaalsContact NE2-ND1 3.2Å
101	G	90.9	Very high	95.5	Very high	15 Å²	15	13.1 Å²	13.1	16%	0.155	6%	0.06	C	C	.	.			trans	80.7	-1.8	172.4	0	0	0	0	0	116.4	T103 T104 T105 N172	G101-T103 PolarHBondContact O-N 2.94Å; G101-T104 PolarHBondContact O-N 3.39Å; G101-T105 PolarHBondContact O-N 2.76Å; G101-T105 PolarHBondContact O-OG1 3.37Å; G101-N172 PolarHBondContact O-ND2 3.14Å
102	K	93.5	Very high	95.7	Very high	25 Å²	25	10.1 Å²	10.1	11%	0.109	5%	0.049	C	C	.	.	H	α-helix	trans	-49.2	-55.8	-177.9	-65.4	-174.5	-72	-89.1	0	112.8	G98 H100 T104 T105 A106 E146 E149	G98-K102 WeakPolarHBondContact O-CD 3.1Å; G98-K102 WeakPolarHBondContact O-CE 3.33Å; G98-K102 WeakPolarHBondContact O-CG 3.3Å; G98-K102 PolarHBondContact O-NZ 2.82Å; H100-K102 VanDerWaalsContact C-N 3.33Å; H100-K102 PolarHBondContact O-N 3.32Å; K102-T104 PolarHBondContact O-N 3.3Å; K102-T105 PolarHBondContact O-N 3Å; K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.14Å; K102-E146 HydrophobicContact CB-CG 4.28Å; K102-E149 VanDerWaalsContact CE-OE2 3.27Å; K102-E149 WeakPolarHBondContact CE-OE2 3.44Å; K102-E149 IonicContact NZ-OE1 2.58Å; K102-E149 PolarHBondContact NZ-OE1 3.18Å; K102-E149 IonicContact NZ-OE2 2.85Å; K102-E149 PolarHBondContact NZ-OE2 3.4Å
103	T	91.4	Very high	95.7	Very high	19 Å²	19	6.4 Å²	6.4	12%	0.117	4%	0.035	C	C	.	.	H	α-helix	trans	-59.8	-43.2	-178.9	-51.4	0	0	0	0	113.3	G101 G107 I124 G125 E146 A299	G101-T103 PolarHBondContact O-N 2.94Å; T103-G107 PolarHBondContact O-N 3.19Å; T103-I124 HydrophobicContact CG2-CG2 3.9Å; T103-G125 WeakPolarHBondContact CG2-O 3.36Å; T103-E146 WeakPolarHBondContact CA-OE1 3.39Å; T103-E146 VanDerWaalsContact CB-OE1 3.22Å; T103-E146 WeakPolarHBondContact CB-OE1 3.39Å; T103-E146 WeakPolarHBondContact CG2-OE1 3.3Å; T103-E146 PolarHBondContact OG1-OE1 3.21Å; T103-E146 PolarHBondContact OG1-OE2 2.89Å; T103-A299 HydrophobicContact CG2-CB 3.86Å
104	T	93	Very high	95.7	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.025	5%	0.046	C	C	.	.	H	α-helix	trans	-68.4	-48.2	179.9	-60.8	0	0	0	0	111	G101 K102 G107 M108 N268 N271 F296 N298	G101-T104 PolarHBondContact O-N 3.39Å; K102-T104 PolarHBondContact O-N 3.3Å; T104-G107 PolarHBondContact O-N 3.37Å; T104-M108 HydrophobicContact CG2-CE 3.5Å; T104-M108 HydrophobicContact CG2-SD 4.04Å; T104-M108 WeakPolarHBondContact O-CB 3.37Å; T104-M108 VanDerWaalsContact O-CG 3.24Å; T104-M108 WeakPolarHBondContact O-CG 3.36Å; T104-M108 PolarHBondContact O-N 3.12Å; T104-N268 WeakPolarHBondContact CG2-OD1 3.37Å; T104-N271 HydrophobicContact CG2-CB 4.31Å; T104-F296 HydrophobicContact CG2-CE1 4.36Å; T104-N298 PolarHBondContact OG1-OD1 2.91Å; T104-N298 VanDerWaalsContact OG1-OD1 3.07Å
105	T	96.7	Very high	95.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-41.3	178.3	-55.6	0	0	0	0	112	V96 G101 K102 M108 A109 I170 N172 N271 M274 A275	V96-T105 HydrophobicContact CG1-CG2 3.79Å; G101-T105 PolarHBondContact O-N 2.76Å; G101-T105 PolarHBondContact O-OG1 3.37Å; K102-T105 PolarHBondContact O-N 3Å; T105-M108 PolarHBondContact O-N 2.7Å; T105-A109 WeakPolarHBondContact O-CB 3.22Å; T105-A109 PolarHBondContact O-N 3.1Å; T105-I170 HydrophobicContact CG2-CD1 3.76Å; T105-I170 HydrophobicContact CG2-CG2 4.23Å; T105-N172 PolarHBondContact OG1-ND2 3.28Å; T105-N172 PolarHBondContact OG1-OD1 3.06Å; T105-N271 WeakPolarHBondContact OG1-CA 2.83Å; T105-N271 WeakPolarHBondContact OG1-CB 3.33Å; T105-N271 VanDerWaalsContact OG1-CG 3.24Å; T105-N271 PolarHBondContact OG1-OD1 3.33Å; T105-M274 HydrophobicContact CG2-CB 3.99Å; T105-A275 HydrophobicContact CG2-CB 4.32Å
106	A	96.3	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-40.9	175.7	0	0	0	0	0	111.6	V96 K102 T110 I124 V144 E146	V96-A106 HydrophobicContact CB-CB 4.16Å; V96-A106 HydrophobicContact CG2-CB 3.92Å; K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.14Å; A106-T110 WeakPolarHBondContact O-CB 3.31Å; A106-T110 PolarHBondContact O-N 3.12Å; A106-T110 PolarHBondContact O-OG1 3.2Å; A106-I124 HydrophobicContact CB-CD1 4.36Å; A106-I124 HydrophobicContact CB-CG1 4.15Å; A106-V144 HydrophobicContact CB-CG1 4.21Å; A106-E146 HydrophobicContact CB-CG 3.86Å
107	G	95.3	Very high	95.3	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-48.3	172.2	0	0	0	0	0	112.1	T103 T104 T110 W111	T103-G107 PolarHBondContact O-N 3.19Å; T104-G107 PolarHBondContact O-N 3.37Å; G107-T110 PolarHBondContact O-N 3.39Å; G107-W111 WeakPolarHBondContact O-CB 3.21Å; G107-W111 PolarHBondContact O-N 2.86Å
108	M	97.3	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-48.4	178.1	-74.8	174.7	177.3	0	0	111.9	T104 T105 T110 W111 I112 W261 L263 N268 N271 G272 A275 L293 F296	T104-M108 HydrophobicContact CG2-CE 3.5Å; T104-M108 HydrophobicContact CG2-SD 4.04Å; T104-M108 WeakPolarHBondContact O-CB 3.37Å; T104-M108 VanDerWaalsContact O-CG 3.24Å; T104-M108 WeakPolarHBondContact O-CG 3.36Å; T104-M108 PolarHBondContact O-N 3.12Å; T105-M108 PolarHBondContact O-N 2.7Å; M108-T110 VanDerWaalsContact C-N 3.33Å; M108-T110 PolarHBondContact O-N 3.47Å; M108-W111 PolarHBondContact O-N 3.12Å; M108-I112 VanDerWaalsContact O-CG1 3.29Å; M108-I112 WeakPolarHBondContact O-CG1 3.24Å; M108-I112 PolarHBondContact O-N 3.15Å; M108-W261 HydrophobicContact CE-CE3 4.26Å; M108-W261 HydrophobicContact CE-CH2 3.57Å; M108-W261 HydrophobicContact CE-CZ3 3.32Å; M108-W261 HydrophobicContact SD-CH2 4.36Å; M108-W261 HydrophobicContact SD-CZ3 4.07Å; M108-L263 HydrophobicContact CE-CD2 3.67Å; M108-N268 HydrophobicContact CE-CB 4.45Å; M108-N271 HydrophobicContact SD-CB 4.02Å; M108-G272 WeakPolarHBondContact SD-CA 3.17Å; M108-G272 PolarHBondContact SD-N 3.08Å; M108-G272 VanDerWaalsContact SD-N 3.4Å; M108-A275 HydrophobicContact CB-CB 3.66Å; M108-L293 HydrophobicContact CB-CD2 3.72Å; M108-L293 HydrophobicContact CG-CD2 3.8Å; M108-F296 HydrophobicContact CE-CD1 3.84Å; M108-F296 HydrophobicContact CE-CE1 3.71Å; M108-F296 HydrophobicContact CG-CD1 3.78Å; M108-F296 HydrophobicContact CG-CD2 4.23Å; M108-F296 HydrophobicContact CG-CE1 3.57Å; M108-F296 HydrophobicContact CG-CE2 4.05Å; M108-F296 HydrophobicContact CG-CG 4.1Å; M108-F296 HydrophobicContact CG-CZ 3.71Å; M108-F296 HydrophobicContact SD-CE1 4.5Å
109	A	98	Very high	95.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-43.2	177.9	0	0	0	0	0	111.5	T105 I112 L113 V144 A275	T105-A109 WeakPolarHBondContact O-CB 3.22Å; T105-A109 PolarHBondContact O-N 3.1Å; A109-I112 PolarHBondContact O-N 3.48Å; A109-L113 WeakPolarHBondContact O-CG 3.5Å; A109-L113 PolarHBondContact O-N 3.1Å; A109-L113 VanDerWaalsContact O-N 3.16Å; A109-V144 HydrophobicContact CB-CG1 4.28Å; A109-A275 HydrophobicContact CB-CB 4.16Å
110	T	97.6	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-42.8	177.4	-55.8	0	0	0	0	111.6	A106 G107 M108 L113 E114 P120 F122 I124 F131 V144	A106-T110 WeakPolarHBondContact O-CB 3.31Å; A106-T110 PolarHBondContact O-N 3.12Å; A106-T110 PolarHBondContact O-OG1 3.2Å; G107-T110 PolarHBondContact O-N 3.39Å; M108-T110 VanDerWaalsContact C-N 3.33Å; M108-T110 PolarHBondContact O-N 3.47Å; T110-L113 PolarHBondContact O-N 2.88Å; T110-E114 WeakPolarHBondContact O-CB 3.3Å; T110-E114 PolarHBondContact O-N 3.27Å; T110-P120 HydrophobicContact CG2-CG 4.01Å; T110-F122 HydrophobicContact CG2-CB 4Å; T110-F122 HydrophobicContact CG2-CD1 3.44Å; T110-F122 VanDerWaalsContact CG2-CD1 3.44Å; T110-F122 HydrophobicContact CG2-CE1 4Å; T110-F122 HydrophobicContact CG2-CG 3.79Å; T110-I124 HydrophobicContact CG2-CD1 4.43Å; T110-I124 WeakPolarHBondContact OG1-CD1 3.47Å; T110-F131 HydrophobicContact CG2-CE2 3.83Å; T110-F131 HydrophobicContact CG2-CZ 3.72Å; T110-V144 VanDerWaalsContact OG1-CB 3.24Å; T110-V144 WeakPolarHBondContact OG1-CB 3.32Å; T110-V144 VanDerWaalsContact OG1-CG1 3.32Å; T110-V144 WeakPolarHBondContact OG1-CG1 3.28Å
111	W	97.4	Very high	95.9	Very high	30 Å²	30	23.9 Å²	23.9	11%	0.114	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-42	179.1	-176.3	-118.4	0	0	0	112.7	G107 M108 L113 E114 Q115 N130 F131 A292 S295 F296	G107-W111 WeakPolarHBondContact O-CB 3.21Å; G107-W111 PolarHBondContact O-N 2.86Å; M108-W111 PolarHBondContact O-N 3.12Å; W111-L113 VanDerWaalsContact C-N 3.32Å; W111-L113 PolarHBondContact O-N 3.27Å; W111-E114 HydrophobicContact CE3-CB 4.25Å; W111-E114 HydrophobicContact CE3-CG 4.43Å; W111-E114 HydrophobicContact CZ3-CG 4.34Å; W111-E114 PolarHBondContact O-N 3.48Å; W111-Q115 HydrophobicContact CD2-CG 3.88Å; W111-Q115 VanDerWaalsContact CE2-CG 3.46Å; W111-Q115 HydrophobicContact CE3-CG 4.37Å; W111-Q115 HydrophobicContact CG-CG 4.38Å; W111-Q115 HydrophobicContact CH2-CG 4.21Å; W111-Q115 VanDerWaalsContact CZ2-CD 3.46Å; W111-Q115 HydrophobicContact CZ2-CG 3.66Å; W111-Q115 WeakPolarHBondContact O-CB 3.44Å; W111-Q115 WeakPolarHBondContact O-CG 3.16Å; W111-Q115 PolarHBondContact O-N 3.01Å; W111-N130 HydrophobicContact CD2-CB 3.98Å; W111-N130 HydrophobicContact CE3-CB 3.51Å; W111-N130 HydrophobicContact CH2-CB 4.2Å; W111-N130 HydrophobicContact CZ3-CB 3.65Å; W111-F131 HydrophobicContact CE3-CE2 4.12Å; W111-F131 AromaticContact CE3-CZ 3.91Å; W111-F131 HydrophobicContact CE3-CZ 3.91Å; W111-A292 VanDerWaalsContact CD1-O 3.26Å; W111-A292 PolarHBondContact NE1-O 3.34Å; W111-S295 WeakPolarHBondContact CZ2-OG 3.38Å; W111-S295 PolarHBondContact NE1-OG 3.39Å; W111-F296 HydrophobicContact CB-CD2 3.86Å; W111-F296 HydrophobicContact CB-CE2 4.41Å; W111-F296 HydrophobicContact CG-CD2 4.07Å
112	I	98.5	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.7	-49.3	173.7	-71	161.8	0	0	0	110.4	M108 A109 Q115 C116 A275 I276 A279 V284 A289 A292 L293	M108-I112 VanDerWaalsContact O-CG1 3.29Å; M108-I112 WeakPolarHBondContact O-CG1 3.24Å; M108-I112 PolarHBondContact O-N 3.15Å; A109-I112 PolarHBondContact O-N 3.48Å; I112-Q115 PolarHBondContact O-N 3.19Å; I112-C116 WeakPolarHBondContact O-CB 3.25Å; I112-C116 PolarHBondContact O-N 2.98Å; I112-C116 PolarHBondContact O-SG 3.34Å; I112-A275 HydrophobicContact CD1-CB 3.98Å; I112-I276 HydrophobicContact CD1-CG1 4.2Å; I112-A279 HydrophobicContact CB-CB 4.44Å; I112-A279 HydrophobicContact CD1-CB 4.47Å; I112-A279 HydrophobicContact CG2-CB 3.55Å; I112-V284 HydrophobicContact CG2-CG1 3.94Å; I112-V284 HydrophobicContact CG2-CG2 4.39Å; I112-A289 HydrophobicContact CD1-CB 4.11Å; I112-A289 HydrophobicContact CG1-CB 4.26Å; I112-A289 HydrophobicContact CG2-CB 3.67Å; I112-A292 HydrophobicContact CG1-CB 4.21Å; I112-L293 HydrophobicContact CD1-CD1 4.26Å; I112-L293 HydrophobicContact CD1-CD2 3.82Å; I112-L293 HydrophobicContact CD1-CG 3.95Å; I112-L293 HydrophobicContact CG1-CD2 3.82Å; I112-L293 HydrophobicContact CG1-CG 4.02Å
113	L	98.2	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-39.4	179.6	-65.3	-177.4	0	0	0	112.5	L94 A109 T110 W111 C116 G117 Y118 P120 F142 V144 V282 V284	L94-L113 HydrophobicContact CD1-CD1 4.16Å; L94-L113 HydrophobicContact CD2-CD1 4.2Å; A109-L113 WeakPolarHBondContact O-CG 3.5Å; A109-L113 PolarHBondContact O-N 3.1Å; A109-L113 VanDerWaalsContact O-N 3.16Å; T110-L113 PolarHBondContact O-N 2.88Å; W111-L113 VanDerWaalsContact C-N 3.32Å; W111-L113 PolarHBondContact O-N 3.27Å; L113-C116 PolarHBondContact O-N 3.1Å; L113-G117 PolarHBondContact O-N 3.1Å; L113-Y118 HydrophobicContact CD2-CD2 4.07Å; L113-Y118 HydrophobicContact CD2-CG 4.47Å; L113-Y118 WeakPolarHBondContact O-CB 3.41Å; L113-Y118 PolarHBondContact O-N 2.98Å; L113-P120 HydrophobicContact CB-CB 4.26Å; L113-P120 HydrophobicContact CB-CG 3.76Å; L113-P120 HydrophobicContact CD1-CB 4.11Å; L113-P120 HydrophobicContact CD1-CG 4.4Å; L113-F142 HydrophobicContact CD1-CB 4.22Å; L113-V144 HydrophobicContact CD1-CG2 3.88Å; L113-V282 HydrophobicContact CD2-CG2 3.46Å; L113-V282 VanDerWaalsContact CD2-CG2 3.46Å; L113-V284 HydrophobicContact CD2-CG2 3.81Å
114	E	97	Very high	96.1	Very high	49 Å²	49	22.4 Å²	22.4	23%	0.229	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-49.9	175.4	-170.3	75.7	166.9	0	0	111.2	T110 W111 C116 G117 K119 P120 F131 R136	T110-E114 WeakPolarHBondContact O-CB 3.3Å; T110-E114 PolarHBondContact O-N 3.27Å; W111-E114 HydrophobicContact CE3-CB 4.25Å; W111-E114 HydrophobicContact CE3-CG 4.43Å; W111-E114 HydrophobicContact CZ3-CG 4.34Å; W111-E114 PolarHBondContact O-N 3.48Å; E114-C116 VanDerWaalsContact C-N 3.27Å; E114-C116 PolarHBondContact O-N 2.98Å; E114-G117 PolarHBondContact O-N 3.47Å; E114-K119 WeakPolarHBondContact OE2-CA 3.46Å; E114-P120 WeakPolarHBondContact OE2-CD 3.45Å; E114-F131 HydrophobicContact CB-CE1 4.29Å; E114-F131 HydrophobicContact CB-CZ 3.95Å; E114-F131 HydrophobicContact CG-CE1 3.95Å; E114-F131 HydrophobicContact CG-CZ 4.1Å; E114-R136 IonicContact OE1-CZ 3.05Å; E114-R136 IonicContact OE1-NH1 3.66Å; E114-R136 PolarHBondContact OE1-NH1 3.46Å; E114-R136 IonicContact OE1-NH2 3.67Å; E114-R136 PolarHBondContact OE1-NH2 2.96Å; E114-R136 IonicContact OE2-CZ 3.64Å; E114-R136 IonicContact OE2-NH1 3.42Å; E114-R136 IonicContact OE2-NH2 3.51Å; E114-R136 PolarHBondContact OE2-NH2 3.29Å
115	Q	96.8	Very high	95.5	Very high	98 Å²	98	23.7 Å²	23.7	46%	0.458	14%	0.136	S	C	.	.	H	α-helix	trans	-64.4	-31.9	179.5	-73.9	-60.3	-62.2	0	0	112.7	W111 I112 G117 A292	W111-Q115 HydrophobicContact CD2-CG 3.88Å; W111-Q115 VanDerWaalsContact CE2-CG 3.46Å; W111-Q115 HydrophobicContact CE3-CG 4.37Å; W111-Q115 HydrophobicContact CG-CG 4.38Å; W111-Q115 HydrophobicContact CH2-CG 4.21Å; W111-Q115 VanDerWaalsContact CZ2-CD 3.46Å; W111-Q115 HydrophobicContact CZ2-CG 3.66Å; W111-Q115 WeakPolarHBondContact O-CB 3.44Å; W111-Q115 WeakPolarHBondContact O-CG 3.16Å; W111-Q115 PolarHBondContact O-N 3.01Å; I112-Q115 PolarHBondContact O-N 3.19Å; Q115-G117 PolarHBondContact O-N 3.3Å; Q115-A292 HydrophobicContact CB-CB 3.69Å; Q115-A292 HydrophobicContact CG-CB 4.01Å
116	C	96.7	Very high	94.4	Very high	45 Å²	45	26.4 Å²	26.4	30%	0.304	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8.8	174.3	-61.7	0	0	0	0	113.3	I112 L113 E114 Y118 V284	I112-C116 WeakPolarHBondContact O-CB 3.25Å; I112-C116 PolarHBondContact O-N 2.98Å; I112-C116 PolarHBondContact O-SG 3.34Å; L113-C116 PolarHBondContact O-N 3.1Å; E114-C116 VanDerWaalsContact C-N 3.27Å; E114-C116 PolarHBondContact O-N 2.98Å; C116-Y118 HydrophobicContact CB-CD2 3.76Å; C116-Y118 HydrophobicContact CB-CE2 3.82Å; C116-Y118 PolarHBondContact O-N 3.3Å; C116-V284 HydrophobicContact CB-CG1 4.48Å; C116-V284 HydrophobicContact CB-CG2 4.28Å; C116-V284 VanDerWaalsContact SG-CG1 3.52Å
117	G	94.5	Very high	93.2	Very high	55 Å²	55	28.5 Å²	28.5	57%	0.567	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	8	171.9	0	0	0	0	0	115.5	L113 E114 Q115 K119	L113-G117 PolarHBondContact O-N 3.1Å; E114-G117 PolarHBondContact O-N 3.47Å; Q115-G117 PolarHBondContact O-N 3.3Å; G117-K119 VanDerWaalsContact C-N 3.32Å; G117-K119 PolarHBondContact O-N 3.47Å
118	Y	95.9	Very high	92.2	Very high	68 Å²	68	28.6 Å²	28.6	27%	0.267	18%	0.176	S	C	.	.			trans	-75.3	-17.5	-178.5	-71.6	-82.3	0	0	0	113.5	L113 C116 S140 F142 V284	L113-Y118 HydrophobicContact CD2-CD2 4.07Å; L113-Y118 HydrophobicContact CD2-CG 4.47Å; L113-Y118 WeakPolarHBondContact O-CB 3.41Å; L113-Y118 PolarHBondContact O-N 2.98Å; C116-Y118 HydrophobicContact CB-CD2 3.76Å; C116-Y118 HydrophobicContact CB-CE2 3.82Å; C116-Y118 PolarHBondContact O-N 3.3Å; Y118-S140 WeakPolarHBondContact O-CB 3.33Å; Y118-S140 PolarHBondContact O-OG 2.93Å; Y118-F142 AromaticContact CD1-CD2 3.53Å; Y118-F142 HydrophobicContact CD1-CD2 3.53Å; Y118-F142 AromaticContact CD1-CE2 3.26Å; Y118-F142 HydrophobicContact CD1-CE2 3.26Å; Y118-F142 HydrophobicContact CD1-CZ 4.37Å; Y118-F142 HydrophobicContact CE1-CD2 4.21Å; Y118-F142 AromaticContact CE1-CE2 3.49Å; Y118-F142 HydrophobicContact CE1-CE2 3.49Å; Y118-F142 VanDerWaalsContact CE1-CE2 3.49Å; Y118-F142 HydrophobicContact CE1-CZ 4.24Å; Y118-F142 HydrophobicContact CG-CD2 4.11Å; Y118-F142 HydrophobicContact CG-CE2 4.22Å; Y118-V284 HydrophobicContact CD2-CG2 4.26Å; Y118-V284 HydrophobicContact CE2-CG2 3.63Å
119	K	95.2	Very high	91.5	Very high	90 Å²	90	30.2 Å²	30.2	39%	0.391	19%	0.193	S	C	.	.			trans	46.8	55.1	-179.1	-56.3	-176.2	-179.8	-172.2	0	113.5	E114 G117 G138 E139	E114-K119 WeakPolarHBondContact OE2-CA 3.46Å; G117-K119 VanDerWaalsContact C-N 3.32Å; G117-K119 PolarHBondContact O-N 3.47Å; K119-G138 WeakPolarHBondContact O-CA 3.38Å; K119-E139 HydrophobicContact CB-CB 4.13Å; K119-E139 HydrophobicContact CD-CB 4.06Å; K119-E139 VanDerWaalsContact CD-CD 3.42Å; K119-E139 HydrophobicContact CD-CG 4.17Å; K119-E139 VanDerWaalsContact CD-OE2 3.27Å; K119-E139 WeakPolarHBondContact CD-OE2 3.37Å; K119-E139 IonicContact NZ-OE1 2.91Å; K119-E139 PolarHBondContact NZ-OE1 3.39Å; K119-E139 IonicContact NZ-OE2 2.77Å; K119-E139 PolarHBondContact NZ-OE2 3.43Å; K119-E139 PolarHBondContact O-N 3.01Å
120	P	97.1	Very high	91.1	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.			trans	-64.4	154.6	-173.7	32.2	-41.2	0	0	0	112.1	T110 L113 E114 R136 F142	T110-P120 HydrophobicContact CG2-CG 4.01Å; L113-P120 HydrophobicContact CB-CB 4.26Å; L113-P120 HydrophobicContact CB-CG 3.76Å; L113-P120 HydrophobicContact CD1-CB 4.11Å; L113-P120 HydrophobicContact CD1-CG 4.4Å; E114-P120 WeakPolarHBondContact OE2-CD 3.45Å; P120-R136 PolarHBondContact O-NE 2.92Å; P120-R136 PolarHBondContact O-NH2 3.42Å; P120-F142 WeakPolarHBondContact CA-O 3.38Å; P120-F142 HydrophobicContact CB-CB 4.28Å
121	G	96.4	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	154.3	158.1	0	0	0	0	0	110.1	R136 L137 F142 F143 V144	G121-R136 CarbonylContact C-O 3.58Å; G121-R136 WeakPolarHBondContact CA-O 3.39Å; G121-L137 VanDerWaalsContact CA-C 3.49Å; G121-L137 VanDerWaalsContact CA-O 3.31Å; G121-L137 WeakPolarHBondContact CA-O 3.41Å; G121-F142 PolarHBondContact N-O 3.23Å; G121-F143 CarbonylContact O-C 3.5Å; G121-F143 VanDerWaalsContact O-CA 3.26Å; G121-F143 WeakPolarHBondContact O-CA 3.39Å; G121-V144 PolarHBondContact O-N 2.99Å
122	F	95.9	Very high	90	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.6	175.2	60.6	-94.1	0	0	0	114.1	T110 I124 F131 V133 A135 R136 V144	T110-F122 HydrophobicContact CG2-CB 4Å; T110-F122 HydrophobicContact CG2-CD1 3.44Å; T110-F122 VanDerWaalsContact CG2-CD1 3.44Å; T110-F122 HydrophobicContact CG2-CE1 4Å; T110-F122 HydrophobicContact CG2-CG 3.79Å; F122-I124 HydrophobicContact CB-CD1 4.31Å; F122-I124 HydrophobicContact CB-CG1 4.31Å; F122-I124 HydrophobicContact CD2-CD1 3.97Å; F122-I124 HydrophobicContact CD2-CG1 4.04Å; F122-I124 HydrophobicContact CG-CD1 4.32Å; F122-F131 AromaticContact CE1-CD1 3.94Å; F122-F131 HydrophobicContact CE1-CD1 3.94Å; F122-F131 HydrophobicContact CE1-CE1 4.04Å; F122-F131 HydrophobicContact CE1-CG 4.32Å; F122-F131 HydrophobicContact CZ-CB 4.07Å; F122-F131 AromaticContact CZ-CD1 3.85Å; F122-F131 HydrophobicContact CZ-CD1 3.85Å; F122-F131 HydrophobicContact CZ-CD2 4.44Å; F122-F131 HydrophobicContact CZ-CE1 4.4Å; F122-F131 AromaticContact CZ-CG 3.87Å; F122-F131 HydrophobicContact CZ-CG 3.87Å; F122-V133 HydrophobicContact CE2-CG2 4.43Å; F122-V133 WeakPolarHBondContact CE2-O 3.44Å; F122-V133 HydrophobicContact CZ-CG2 4.02Å; F122-A135 CarbonylContact O-C 3.6Å; F122-A135 WeakPolarHBondContact O-CA 3.4Å; F122-R136 HydrophobicContact CD1-CB 4.13Å; F122-R136 HydrophobicContact CE1-CB 3.74Å; F122-R136 HydrophobicContact CZ-CB 3.95Å; F122-R136 PolarHBondContact N-O 2.7Å; F122-R136 PolarHBondContact O-N 2.91Å; F122-V144 CarbonylContact C-O 3.51Å; F122-V144 WeakPolarHBondContact CA-O 3.36Å; F122-V144 HydrophobicContact CB-CB 4.22Å; F122-V144 WeakPolarHBondContact CB-O 3.5Å
123	V	94.4	Very high	89.4	Confident	23 Å²	23	41.5 Å²	41.5	14%	0.139	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	110	163.8	177.9	0	0	0	0	108.1	L7 A135 F143 V144 I145 E146	L7-V123 HydrophobicContact CD1-CG2 3.51Å; V123-A135 HydrophobicContact CG2-CB 4.04Å; V123-F143 HydrophobicContact CB-CE1 4.43Å; V123-F143 HydrophobicContact CG2-CE1 3.9Å; V123-F143 HydrophobicContact CG2-CZ 3.88Å; V123-V144 PolarHBondContact N-O 3.34Å; V123-I145 HydrophobicContact CB-CD1 4.21Å; V123-I145 HydrophobicContact CB-CG1 4.11Å; V123-I145 WeakPolarHBondContact O-CA 3.31Å; V123-E146 PolarHBondContact O-N 3.4Å
124	I	90	Very high	88.8	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	25%	0.252	C	S	.	.			trans	-126.1	141.7	-176.6	-58	174.1	0	0	0	108.5	T103 A106 T110 F122 P128 S134 E146	T103-I124 HydrophobicContact CG2-CG2 3.9Å; A106-I124 HydrophobicContact CB-CD1 4.36Å; A106-I124 HydrophobicContact CB-CG1 4.15Å; T110-I124 HydrophobicContact CG2-CD1 4.43Å; T110-I124 WeakPolarHBondContact OG1-CD1 3.47Å; F122-I124 HydrophobicContact CB-CD1 4.31Å; F122-I124 HydrophobicContact CB-CG1 4.31Å; F122-I124 HydrophobicContact CD2-CD1 3.97Å; F122-I124 HydrophobicContact CD2-CG1 4.04Å; F122-I124 HydrophobicContact CG-CD1 4.32Å; I124-P128 HydrophobicContact CB-CG 3.91Å; I124-P128 HydrophobicContact CD1-CG 4.02Å; I124-P128 HydrophobicContact CG2-CG 3.9Å; I124-S134 PolarHBondContact N-O 3.48Å; I124-E146 VanDerWaalsContact CG2-OE1 3.22Å; I124-E146 WeakPolarHBondContact CG2-OE1 3.44Å
125	G	79.8	Confident	88.6	Confident	31 Å²	31	39.5 Å²	39.5	32%	0.32	24%	0.241	S	C	.	.	S	Bend	trans	-67.8	139.1	175.9	0	0	0	0	0	111.7	T103 E146	T103-G125 WeakPolarHBondContact CG2-O 3.36Å; G125-E146 WeakPolarHBondContact CA-OE1 3.47Å; G125-E146 VanDerWaalsContact N-CD 3.3Å; G125-E146 PolarHBondContact N-OE1 3.31Å
126	G	74.3	Confident	88.4	Confident	56 Å²	56	37.7 Å²	37.7	58%	0.577	23%	0.23	S	C	*	.	S	Bend	trans	68.5	-166.4	-172.9	0	0	0	0	0	112.7	S134	G126-S134 WeakPolarHBondContact O-CB 3.17Å
127	V	70.2	Confident	88.3	Confident	45 Å²	45	37 Å²	37	27%	0.273	22%	0.223	S	C	.	.			trans	-102.1	112	173.4	-176.9	0	0	0	0	107.4	F131	V127-F131 VanDerWaalsContact CG1-O 3.3Å; V127-F131 WeakPolarHBondContact CG1-O 3.46Å
128	P	75.8	Confident	88.2	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.026	21%	0.206	C	C	.	.			trans	-58.6	140.3	175.8	-21.9	33	0	0	0	110.8	I124 N130 F131	I124-P128 HydrophobicContact CB-CG 3.91Å; I124-P128 HydrophobicContact CD1-CG 4.02Å; I124-P128 HydrophobicContact CG2-CG 3.9Å; P128-N130 VanDerWaalsContact C-N 3.33Å; P128-N130 PolarHBondContact O-N 3.04Å; P128-F131 HydrophobicContact CB-CB 4.24Å; P128-F131 HydrophobicContact CB-CD2 3.85Å; P128-F131 PolarHBondContact O-N 2.9Å; P128-F131 VanDerWaalsContact O-N 3.07Å
129	G	81.9	Confident	88.1	Confident	34 Å²	34	39.2 Å²	39.2	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.7	-172	0	0	0	0	0	114.7	F131 I297 N298	G129-F131 VanDerWaalsContact C-N 3.32Å; G129-I297 WeakPolarHBondContact CA-O 3.37Å; G129-I297 PolarHBondContact N-O 2.9Å; G129-N298 VanDerWaalsContact CA-O 3.26Å; G129-N298 WeakPolarHBondContact CA-O 3.47Å; G129-N298 PolarHBondContact N-O 3.46Å
130	N	90	Very high	88	Confident	37 Å²	37	36 Å²	36	20%	0.198	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.1	177.9	-62.5	99.6	0	0	0	114.4	W111 P128 S295 F296 I297	W111-N130 HydrophobicContact CD2-CB 3.98Å; W111-N130 HydrophobicContact CE3-CB 3.51Å; W111-N130 HydrophobicContact CH2-CB 4.2Å; W111-N130 HydrophobicContact CZ3-CB 3.65Å; P128-N130 VanDerWaalsContact C-N 3.33Å; P128-N130 PolarHBondContact O-N 3.04Å; N130-S295 PolarHBondContact ND2-O 3.45Å; N130-F296 VanDerWaalsContact OD1-CD2 3.27Å; N130-F296 WeakPolarHBondContact OD1-CD2 3.38Å; N130-I297 PolarHBondContact OD1-N 3.04Å; N130-I297 PolarHBondContact OD1-O 3.1Å
131	F	88.6	Confident	87.9	Confident	22 Å²	22	41.5 Å²	41.5	10%	0.096	25%	0.245	C	C	.	.			trans	-129.8	141.6	-172.3	-60.2	-84.4	0	0	0	111.6	T110 W111 E114 F122 V127 P128 G129 V133	T110-F131 HydrophobicContact CG2-CE2 3.83Å; T110-F131 HydrophobicContact CG2-CZ 3.72Å; W111-F131 HydrophobicContact CE3-CE2 4.12Å; W111-F131 AromaticContact CE3-CZ 3.91Å; W111-F131 HydrophobicContact CE3-CZ 3.91Å; E114-F131 HydrophobicContact CB-CE1 4.29Å; E114-F131 HydrophobicContact CB-CZ 3.95Å; E114-F131 HydrophobicContact CG-CE1 3.95Å; E114-F131 HydrophobicContact CG-CZ 4.1Å; F122-F131 AromaticContact CE1-CD1 3.94Å; F122-F131 HydrophobicContact CE1-CD1 3.94Å; F122-F131 HydrophobicContact CE1-CE1 4.04Å; F122-F131 HydrophobicContact CE1-CG 4.32Å; F122-F131 HydrophobicContact CZ-CB 4.07Å; F122-F131 AromaticContact CZ-CD1 3.85Å; F122-F131 HydrophobicContact CZ-CD1 3.85Å; F122-F131 HydrophobicContact CZ-CD2 4.44Å; F122-F131 HydrophobicContact CZ-CE1 4.4Å; F122-F131 AromaticContact CZ-CG 3.87Å; F122-F131 HydrophobicContact CZ-CG 3.87Å; V127-F131 VanDerWaalsContact CG1-O 3.3Å; V127-F131 WeakPolarHBondContact CG1-O 3.46Å; P128-F131 HydrophobicContact CB-CB 4.24Å; P128-F131 HydrophobicContact CB-CD2 3.85Å; P128-F131 PolarHBondContact O-N 2.9Å; P128-F131 VanDerWaalsContact O-N 3.07Å; G129-F131 VanDerWaalsContact C-N 3.32Å; F131-V133 PolarHBondContact O-N 2.98Å
132	E	83	Confident	88	Confident	177 Å²	177	43 Å²	43	83%	0.827	25%	0.252	S	S	*	.	S	Bend	trans	-79.6	-8.3	178.4	-61.1	-172.4	167	0	0	113.5
133	V	86.1	Confident	88.1	Confident	32 Å²	32	43 Å²	43	19%	0.194	25%	0.252	C	S	.	.			trans	-129.7	149.6	-174.4	-62.6	0	0	0	0	111.1	M6 L29 F122 F131 R136	M6-V133 HydrophobicContact CE-CB 3.76Å; M6-V133 HydrophobicContact CE-CG1 3.71Å; L29-V133 HydrophobicContact CD1-CG1 4.42Å; F122-V133 HydrophobicContact CE2-CG2 4.43Å; F122-V133 WeakPolarHBondContact CE2-O 3.44Å; F122-V133 HydrophobicContact CZ-CG2 4.02Å; F131-V133 PolarHBondContact O-N 2.98Å; V133-R136 HydrophobicContact CG2-CB 4.28Å
134	S	86	Confident	88.3	Confident	7 Å²	7	41.9 Å²	41.9	5%	0.049	25%	0.245	C	C	.	.	S	Bend	trans	-86	-17.1	175.3	57.8	0	0	0	0	113.4	I124 G126	I124-S134 PolarHBondContact N-O 3.48Å; G126-S134 WeakPolarHBondContact O-CB 3.17Å
135	A	91.9	Very high	88.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.8	176	0	0	0	0	0	112.7	G3 L7 F122 V123	G3-A135 VanDerWaalsContact CA-CB 3.48Å; G3-A135 WeakPolarHBondContact O-CB 3.37Å; L7-A135 HydrophobicContact CD2-CB 4.42Å; L7-A135 HydrophobicContact CG-CB 4.16Å; F122-A135 CarbonylContact O-C 3.6Å; F122-A135 WeakPolarHBondContact O-CA 3.4Å; V123-A135 HydrophobicContact CG2-CB 4.04Å
136	R	93.1	Very high	89.3	Confident	59 Å²	59	41.5 Å²	41.5	22%	0.223	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.5	179.1	-170.7	177.2	68.2	176.8	0.8	110.1	E114 P120 G121 F122 V133 G138	E114-R136 IonicContact OE1-CZ 3.05Å; E114-R136 IonicContact OE1-NH1 3.66Å; E114-R136 PolarHBondContact OE1-NH1 3.46Å; E114-R136 IonicContact OE1-NH2 3.67Å; E114-R136 PolarHBondContact OE1-NH2 2.96Å; E114-R136 IonicContact OE2-CZ 3.64Å; E114-R136 IonicContact OE2-NH1 3.42Å; E114-R136 IonicContact OE2-NH2 3.51Å; E114-R136 PolarHBondContact OE2-NH2 3.29Å; P120-R136 PolarHBondContact O-NE 2.92Å; P120-R136 PolarHBondContact O-NH2 3.42Å; G121-R136 CarbonylContact C-O 3.58Å; G121-R136 WeakPolarHBondContact CA-O 3.39Å; F122-R136 HydrophobicContact CD1-CB 4.13Å; F122-R136 HydrophobicContact CE1-CB 3.74Å; F122-R136 HydrophobicContact CZ-CB 3.95Å; F122-R136 PolarHBondContact N-O 2.7Å; F122-R136 PolarHBondContact O-N 2.91Å; V133-R136 HydrophobicContact CG2-CB 4.28Å; R136-G138 VanDerWaalsContact C-N 3.35Å
137	L	94	Very high	90.2	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.157	21%	0.207	C	C	.	.			trans	-71.8	-30	179.7	-167.9	67.9	0	0	0	113.1	L7 L11 V87 R91 G121	L7-L137 HydrophobicContact CD2-CB 4.19Å; L7-L137 HydrophobicContact CD2-CD1 4.37Å; L11-L137 HydrophobicContact CD2-CD1 4.12Å; L11-L137 HydrophobicContact CD2-CD2 3.7Å; L11-L137 HydrophobicContact CG-CD1 4.34Å; L11-L137 HydrophobicContact CG-CD2 4.31Å; V87-L137 HydrophobicContact CG1-CD1 4.07Å; R91-L137 PolarHBondContact NH1-O 3.21Å; R91-L137 VanDerWaalsContact NH1-O 3.11Å; G121-L137 VanDerWaalsContact CA-C 3.49Å; G121-L137 VanDerWaalsContact CA-O 3.31Å; G121-L137 WeakPolarHBondContact CA-O 3.41Å
138	G	93.5	Very high	91.1	Very high	20 Å²	20	38.5 Å²	38.5	21%	0.206	20%	0.204	C	C	.	.			trans	72.4	171.2	-177.4	0	0	0	0	0	113.9	K119 R136	K119-G138 WeakPolarHBondContact O-CA 3.38Å; R136-G138 VanDerWaalsContact C-N 3.35Å
139	E	93.9	Very high	91.6	Very high	151 Å²	151	38.4 Å²	38.4	71%	0.706	20%	0.203	S	C	*	.	S	Bend	trans	-109.3	-9.6	-178.8	-67.1	177.3	-142.3	0	0	113.2	K119	K119-E139 HydrophobicContact CB-CB 4.13Å; K119-E139 HydrophobicContact CD-CB 4.06Å; K119-E139 VanDerWaalsContact CD-CD 3.42Å; K119-E139 HydrophobicContact CD-CG 4.17Å; K119-E139 VanDerWaalsContact CD-OE2 3.27Å; K119-E139 WeakPolarHBondContact CD-OE2 3.37Å; K119-E139 IonicContact NZ-OE1 2.91Å; K119-E139 PolarHBondContact NZ-OE1 3.39Å; K119-E139 IonicContact NZ-OE2 2.77Å; K119-E139 PolarHBondContact NZ-OE2 3.43Å; K119-E139 PolarHBondContact O-N 3.01Å
140	S	93	Very high	92	Very high	23 Å²	23	39.3 Å²	39.3	16%	0.161	20%	0.196	C	C	.	.	S	Bend	trans	-111.9	173.8	178.4	70.1	0	0	0	0	113.3	R91 Y118 F142	R91-S140 PolarHBondContact NH1-O 3.41Å; Y118-S140 WeakPolarHBondContact O-CB 3.33Å; Y118-S140 PolarHBondContact O-OG 2.93Å; S140-F142 PolarHBondContact O-N 3.47Å; S140-F142 PolarHBondContact OG-N 2.94Å
141	N	93.8	Very high	91.9	Very high	115 Å²	115	38.2 Å²	38.2	62%	0.615	19%	0.19	S	C	*	.	S	Bend	trans	-69.3	-9.3	176.7	-67.2	-13.5	0	0	0	113.5	R91 W92	R91-N141 CarbonylContact C-O 3.57Å; R91-N141 WeakPolarHBondContact CA-O 3.04Å; R91-N141 WeakPolarHBondContact CB-O 3.24Å; R91-N141 WeakPolarHBondContact CD-O 3.11Å; W92-N141 PolarHBondContact N-O 2.87Å
142	F	98.1	Very high	92	Very high	31 Å²	31	37.2 Å²	37.2	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.1	-177.6	-60.9	-67.2	0	0	0	112	W92 L94 L113 Y118 P120 G121 S140 V282	W92-F142 HydrophobicContact CB-CD1 3.68Å; W92-F142 HydrophobicContact CB-CE1 3.87Å; W92-F142 AromaticContact CD1-CD1 3.96Å; W92-F142 HydrophobicContact CD2-CE1 4.08Å; W92-F142 AromaticContact CG-CD1 3.81Å; W92-F142 HydrophobicContact CG-CD1 3.81Å; W92-F142 AromaticContact CG-CE1 3.74Å; W92-F142 HydrophobicContact CG-CE1 3.74Å; W92-F142 WeakPolarHBondContact O-CA 3.34Å; L94-F142 HydrophobicContact CD1-CB 4.45Å; L94-F142 HydrophobicContact CD1-CD1 4.26Å; L113-F142 HydrophobicContact CD1-CB 4.22Å; Y118-F142 AromaticContact CD1-CD2 3.53Å; Y118-F142 HydrophobicContact CD1-CD2 3.53Å; Y118-F142 AromaticContact CD1-CE2 3.26Å; Y118-F142 HydrophobicContact CD1-CE2 3.26Å; Y118-F142 HydrophobicContact CD1-CZ 4.37Å; Y118-F142 HydrophobicContact CE1-CD2 4.21Å; Y118-F142 AromaticContact CE1-CE2 3.49Å; Y118-F142 HydrophobicContact CE1-CE2 3.49Å; Y118-F142 VanDerWaalsContact CE1-CE2 3.49Å; Y118-F142 HydrophobicContact CE1-CZ 4.24Å; Y118-F142 HydrophobicContact CG-CD2 4.11Å; Y118-F142 HydrophobicContact CG-CE2 4.22Å; P120-F142 WeakPolarHBondContact CA-O 3.38Å; P120-F142 HydrophobicContact CB-CB 4.28Å; G121-F142 PolarHBondContact N-O 3.23Å; S140-F142 PolarHBondContact O-N 3.47Å; S140-F142 PolarHBondContact OG-N 2.94Å; F142-V282 HydrophobicContact CD1-CB 4.03Å; F142-V282 HydrophobicContact CD1-CG1 3.88Å; F142-V282 HydrophobicContact CE1-CB 3.5Å; F142-V282 HydrophobicContact CE1-CG1 3.65Å; F142-V282 HydrophobicContact CE1-CG2 4.42Å; F142-V282 HydrophobicContact CZ-CB 3.95Å
143	F	98.3	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.9	177.6	-155.3	-78.8	0	0	0	111.2	L7 V87 L88 R91 W92 V93 L94 G121 V123 I145	L7-F143 HydrophobicContact CD1-CZ 4.03Å; V87-F143 HydrophobicContact CG1-CD2 4.09Å; V87-F143 HydrophobicContact CG1-CE2 3.55Å; V87-F143 HydrophobicContact CG1-CZ 3.95Å; L88-F143 HydrophobicContact CD2-CB 4.16Å; L88-F143 HydrophobicContact CD2-CD1 3.33Å; L88-F143 HydrophobicContact CD2-CD2 4.24Å; L88-F143 HydrophobicContact CD2-CE1 3.7Å; L88-F143 HydrophobicContact CD2-CG 3.63Å; L88-F143 HydrophobicContact CD2-CZ 4.29Å; R91-F143 HydrophobicContact CB-CB 4.14Å; W92-F143 PolarHBondContact O-N 3.05Å; V93-F143 CarbonylContact C-O 3.59Å; V93-F143 WeakPolarHBondContact CA-O 3.34Å; V93-F143 HydrophobicContact CG2-CB 4.49Å; L94-F143 PolarHBondContact N-O 2.99Å; G121-F143 CarbonylContact O-C 3.5Å; G121-F143 VanDerWaalsContact O-CA 3.26Å; G121-F143 WeakPolarHBondContact O-CA 3.39Å; V123-F143 HydrophobicContact CB-CE1 4.43Å; V123-F143 HydrophobicContact CG2-CE1 3.9Å; V123-F143 HydrophobicContact CG2-CZ 3.88Å; F143-I145 HydrophobicContact CD1-CB 4.35Å; F143-I145 HydrophobicContact CE1-CB 4.38Å
144	V	98.1	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.6	178.9	-173.1	0	0	0	0	110.4	L94 A106 A109 T110 L113 G121 F122 V123	L94-V144 HydrophobicContact CB-CG2 4.3Å; L94-V144 HydrophobicContact CD1-CG2 4.43Å; L94-V144 WeakPolarHBondContact O-CA 3.35Å; A106-V144 HydrophobicContact CB-CG1 4.21Å; A109-V144 HydrophobicContact CB-CG1 4.28Å; T110-V144 VanDerWaalsContact OG1-CB 3.24Å; T110-V144 WeakPolarHBondContact OG1-CB 3.32Å; T110-V144 VanDerWaalsContact OG1-CG1 3.32Å; T110-V144 WeakPolarHBondContact OG1-CG1 3.28Å; L113-V144 HydrophobicContact CD1-CG2 3.88Å; G121-V144 PolarHBondContact O-N 2.99Å; F122-V144 CarbonylContact C-O 3.51Å; F122-V144 WeakPolarHBondContact CA-O 3.36Å; F122-V144 HydrophobicContact CB-CB 4.22Å; F122-V144 WeakPolarHBondContact CB-O 3.5Å; V123-V144 PolarHBondContact N-O 3.34Å
145	I	97.2	Very high	93	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.8	-176.9	-172.5	161	0	0	0	112.2	L83 L88 V93 L94 A95 V96 V123 F143 A147 Y164	L83-I145 HydrophobicContact CD1-CD1 3.8Å; L88-I145 HydrophobicContact CD1-CD1 4.13Å; V93-I145 HydrophobicContact CG1-CG2 3.62Å; L94-I145 PolarHBondContact O-N 3.35Å; A95-I145 WeakPolarHBondContact CA-O 3.49Å; A95-I145 HydrophobicContact CB-CG2 4.12Å; V96-I145 PolarHBondContact N-O 3.11Å; V123-I145 HydrophobicContact CB-CD1 4.21Å; V123-I145 HydrophobicContact CB-CG1 4.11Å; V123-I145 WeakPolarHBondContact O-CA 3.31Å; F143-I145 HydrophobicContact CD1-CB 4.35Å; F143-I145 HydrophobicContact CE1-CB 4.38Å; I145-A147 PolarHBondContact O-N 2.66Å; I145-Y164 HydrophobicContact CD1-CD1 4.05Å; I145-Y164 HydrophobicContact CD1-CD2 3.96Å; I145-Y164 HydrophobicContact CD1-CE1 3.88Å; I145-Y164 HydrophobicContact CD1-CE2 3.79Å; I145-Y164 HydrophobicContact CD1-CG 4.11Å; I145-Y164 HydrophobicContact CG1-CD2 4.09Å; I145-Y164 HydrophobicContact CG1-CE2 3.93Å; I145-Y164 HydrophobicContact CG2-CD2 3.96Å; I145-Y164 HydrophobicContact CG2-CG 4.28Å
146	E	95.1	Very high	93.1	Very high	27 Å²	27	33.1 Å²	33.1	13%	0.126	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116.8	166.6	-71.4	-174.2	-153.3	0	0	110.3	K102 T103 A106 V123 I124 G125 D148 Y164	K102-E146 HydrophobicContact CB-CG 4.28Å; T103-E146 WeakPolarHBondContact CA-OE1 3.39Å; T103-E146 VanDerWaalsContact CB-OE1 3.22Å; T103-E146 WeakPolarHBondContact CB-OE1 3.39Å; T103-E146 WeakPolarHBondContact CG2-OE1 3.3Å; T103-E146 PolarHBondContact OG1-OE1 3.21Å; T103-E146 PolarHBondContact OG1-OE2 2.89Å; A106-E146 HydrophobicContact CB-CG 3.86Å; V123-E146 PolarHBondContact O-N 3.4Å; I124-E146 VanDerWaalsContact CG2-OE1 3.22Å; I124-E146 WeakPolarHBondContact CG2-OE1 3.44Å; G125-E146 WeakPolarHBondContact CA-OE1 3.47Å; G125-E146 VanDerWaalsContact N-CD 3.3Å; G125-E146 PolarHBondContact N-OE1 3.31Å; E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.23Å; E146-Y164 VanDerWaalsContact O-CE2 3.29Å; E146-Y164 WeakPolarHBondContact O-CE2 3.37Å
147	A	91.8	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	81.2	173.1	0	0	0	0	0	110	A95 V96 A97 I145 F161 Y164 L195	A95-A147 HydrophobicContact CB-CB 4.2Å; V96-A147 PolarHBondContact O-N 2.96Å; A97-A147 HydrophobicContact CB-CB 3.62Å; I145-A147 PolarHBondContact O-N 2.66Å; A147-F161 HydrophobicContact CB-CB 3.56Å; A147-F161 HydrophobicContact CB-CD1 4.14Å; A147-F161 HydrophobicContact CB-CG 4.28Å; A147-Y164 HydrophobicContact CB-CD2 4.38Å; A147-L195 HydrophobicContact CB-CD2 4.31Å
148	D	89.3	Confident	92.8	Very high	39 Å²	39	40.5 Å²	40.5	21%	0.209	19%	0.193	C	C	.	.			trans	-69.3	131	176.2	-177.7	-6.3	0	0	0	111.5	E146 Y150 K160 F161	E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.23Å; D148-Y150 WeakPolarHBondContact OD1-CB 3.13Å; D148-Y150 WeakPolarHBondContact OD1-CD2 3.26Å; D148-Y150 PolarHBondContact OD1-N 3.46Å; D148-K160 HydrophobicContact CB-CD 3.98Å; D148-K160 WeakPolarHBondContact O-CB 3.34Å; D148-K160 PolarHBondContact O-N 2.69Å; D148-K160 WeakPolarHBondContact OD2-CD 3.29Å; D148-K160 IonicContact OD2-NZ 2.84Å; D148-K160 PolarHBondContact OD2-NZ 3.04Å; D148-F161 WeakPolarHBondContact O-CD1 3.46Å; D148-F161 PolarHBondContact O-N 3.26Å
149	E	87.4	Confident	92.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	18%	0.183	C	C	.	.			trans	-83.4	-13.5	-176.9	61.2	-90.3	-123.7	0	0	113.9	K102 S159 F161 H178 F182 I188 F192	K102-E149 VanDerWaalsContact CE-OE2 3.27Å; K102-E149 WeakPolarHBondContact CE-OE2 3.44Å; K102-E149 IonicContact NZ-OE1 2.58Å; K102-E149 PolarHBondContact NZ-OE1 3.18Å; K102-E149 IonicContact NZ-OE2 2.85Å; K102-E149 PolarHBondContact NZ-OE2 3.4Å; E149-S159 VanDerWaalsContact O-CB 3.26Å; E149-S159 WeakPolarHBondContact O-CB 3.45Å; E149-S159 PolarHBondContact O-OG 3.22Å; E149-F161 HydrophobicContact CB-CE1 3.9Å; E149-H178 WeakPolarHBondContact CG-CD2 3.37Å; E149-H178 IonicContact OE1-CD2 2.9Å; E149-H178 PolarHBondContact OE1-CD2 3.36Å; E149-H178 IonicContact OE1-NE2 3.63Å; E149-H178 PolarHBondContact OE1-NE2 2.97Å; E149-H178 VanDerWaalsContact OE1-NE2 3.11Å; E149-F182 HydrophobicContact CB-CE2 4.29Å; E149-F182 HydrophobicContact CG-CE2 4.32Å; E149-F182 WeakPolarHBondContact O-CZ 3.4Å; E149-I188 HydrophobicContact CG-CD1 4.5Å; E149-F192 HydrophobicContact CB-CE2 4.22Å
150	Y	89.1	Confident	92.8	Very high	54 Å²	54	33.8 Å²	33.8	21%	0.212	16%	0.155	C	C	.	.	S	Bend	trans	-57.2	158	173.9	-89.1	-77.9	0	0	0	112.2	D148 S159 K160 H178 D180 I181	D148-Y150 WeakPolarHBondContact OD1-CB 3.13Å; D148-Y150 WeakPolarHBondContact OD1-CD2 3.26Å; D148-Y150 PolarHBondContact OD1-N 3.46Å; Y150-S159 CarbonylContact O-C 3.51Å; Y150-S159 WeakPolarHBondContact O-CA 3.34Å; Y150-K160 WeakPolarHBondContact O-CG 3.3Å; Y150-K160 PolarHBondContact O-N 2.66Å; Y150-H178 AromaticContact CE2-CE1 3.29Å; Y150-H178 WeakPolarHBondContact CE2-CE1 3.42Å; Y150-H178 AromaticContact CE2-ND1 3.18Å; Y150-H178 WeakPolarHBondContact CE2-ND1 3.46Å; Y150-H178 AromaticContact CZ-CE1 3.78Å; Y150-H178 AromaticContact CZ-ND1 3.16Å; Y150-H178 PolarHBondContact OH-ND1 3.42Å; Y150-D180 PolarHBondContact OH-OD2 3.19Å; Y150-I181 HydrophobicContact CD1-CD1 3.66Å; Y150-I181 HydrophobicContact CD1-CG1 4.45Å; Y150-I181 HydrophobicContact CE1-CD1 4.11Å; Y150-I181 HydrophobicContact CE1-CG1 4.47Å; Y150-I181 HydrophobicContact CG-CD1 4.23Å
151	D	88.1	Confident	92.8	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.07	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	158.3	174.2	65.5	-28.1	0	0	0	112.7	N57 K157 R158 K160	N57-D151 WeakPolarHBondContact CB-O 3.22Å; D151-K157 HydrophobicContact CB-CD 4.26Å; D151-K157 VanDerWaalsContact OD2-CD 3.24Å; D151-K157 WeakPolarHBondContact OD2-CD 3.4Å; D151-K157 IonicContact OD2-NZ 2.65Å; D151-K157 PolarHBondContact OD2-NZ 2.99Å; D151-R158 WeakPolarHBondContact CA-O 3.33Å; D151-K160 VanDerWaalsContact O-CE 3.26Å; D151-K160 WeakPolarHBondContact O-CE 3.41Å
152	C	90.5	Very high	92.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-48.5	-176.1	-61.3	0	0	0	0	112.5	P80 D156 R158 K160 H163	P80-C152 HydrophobicContact CG-CB 4.06Å; C152-D156 HydrophobicContact CB-CB 3.95Å; C152-D156 WeakPolarHBondContact CB-O 3.36Å; C152-D156 PolarHBondContact N-O 2.91Å; C152-D156 VanDerWaalsContact N-O 3.12Å; C152-R158 PolarHBondContact N-O 2.85Å; C152-R158 VanDerWaalsContact N-O 3.08Å; C152-R158 PolarHBondContact SG-O 2.76Å; C152-K160 VanDerWaalsContact SG-CA 3.56Å; C152-H163 PolarHBondContact SG-CD2 3.36Å; C152-H163 PolarHBondContact SG-NE2 3.27Å
153	A	92.4	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	171.7	-177.6	0	0	0	0	0	110.2	F155 D156	A153-F155 HydrophobicContact CB-CD1 3.89Å; A153-F155 HydrophobicContact CB-CD2 4.3Å; A153-F155 HydrophobicContact CB-CE1 3.48Å; A153-F155 VanDerWaalsContact CB-CE1 3.48Å; A153-F155 HydrophobicContact CB-CE2 3.93Å; A153-F155 HydrophobicContact CB-CG 4.28Å; A153-F155 HydrophobicContact CB-CZ 3.5Å; A153-F155 PolarHBondContact O-N 3.36Å; A153-D156 PolarHBondContact N-O 3.01Å; A153-D156 CarbonylContact O-C 3.55Å; A153-D156 VanDerWaalsContact O-C 3.28Å; A153-D156 PolarHBondContact O-N 2.69Å
154	F	91.9	Very high	92.4	Very high	41 Å²	41	28.4 Å²	28.4	18%	0.18	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27	176.7	74.7	-96.5	0	0	0	114	I55 R61 V66 L70	I55-F154 HydrophobicContact CD1-CE1 4.18Å; I55-F154 HydrophobicContact CG2-CD1 4.26Å; I55-F154 HydrophobicContact CG2-CE1 4.17Å; R61-F154 HydrophobicContact CG-CD2 4.23Å; R61-F154 HydrophobicContact CG-CE2 4.24Å; V66-F154 HydrophobicContact CG1-CD1 4.49Å; V66-F154 HydrophobicContact CG1-CE1 3.58Å; V66-F154 HydrophobicContact CG1-CZ 3.87Å; L70-F154 HydrophobicContact CD1-CZ 4.38Å
155	F	93.2	Very high	92.1	Very high	71 Å²	71	30.7 Å²	30.7	31%	0.311	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.2	179.2	53.4	-93.3	0	0	0	114.2	I55 Y76 A153	I55-F155 HydrophobicContact CB-CE1 3.99Å; I55-F155 HydrophobicContact CB-CZ 4.37Å; I55-F155 HydrophobicContact CD1-CE1 4.09Å; I55-F155 HydrophobicContact CG2-CE1 4.21Å; Y76-F155 HydrophobicContact CD2-CD1 4.26Å; Y76-F155 AromaticContact CD2-CE1 3.7Å; Y76-F155 HydrophobicContact CD2-CE1 3.7Å; Y76-F155 HydrophobicContact CD2-CE2 4.4Å; Y76-F155 AromaticContact CD2-CZ 3.78Å; Y76-F155 HydrophobicContact CD2-CZ 3.78Å; Y76-F155 AromaticContact CE2-CD1 3.74Å; Y76-F155 HydrophobicContact CE2-CD1 3.74Å; Y76-F155 HydrophobicContact CE2-CD2 4.31Å; Y76-F155 AromaticContact CE2-CE1 3.66Å; Y76-F155 HydrophobicContact CE2-CE1 3.66Å; Y76-F155 HydrophobicContact CE2-CE2 4.24Å; Y76-F155 HydrophobicContact CE2-CG 4.08Å; Y76-F155 AromaticContact CE2-CZ 3.92Å; Y76-F155 HydrophobicContact CE2-CZ 3.92Å; A153-F155 HydrophobicContact CB-CD1 3.89Å; A153-F155 HydrophobicContact CB-CD2 4.3Å; A153-F155 HydrophobicContact CB-CE1 3.48Å; A153-F155 VanDerWaalsContact CB-CE1 3.48Å; A153-F155 HydrophobicContact CB-CE2 3.93Å; A153-F155 HydrophobicContact CB-CG 4.28Å; A153-F155 HydrophobicContact CB-CZ 3.5Å; A153-F155 PolarHBondContact O-N 3.36Å
156	D	92.8	Very high	92.1	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	95.9	173.4	-175.1	4.3	0	0	0	109.8	C152 A153 R158 H163	C152-D156 HydrophobicContact CB-CB 3.95Å; C152-D156 WeakPolarHBondContact CB-O 3.36Å; C152-D156 PolarHBondContact N-O 2.91Å; C152-D156 VanDerWaalsContact N-O 3.12Å; A153-D156 PolarHBondContact N-O 3.01Å; A153-D156 CarbonylContact O-C 3.55Å; A153-D156 VanDerWaalsContact O-C 3.28Å; A153-D156 PolarHBondContact O-N 2.69Å; D156-R158 VanDerWaalsContact C-N 3.26Å; D156-R158 PolarHBondContact O-N 2.81Å; D156-R158 WeakPolarHBondContact OD1-CB 3.26Å; D156-R158 IonicContact OD1-CZ 2.7Å; D156-R158 PolarHBondContact OD1-N 2.85Å; D156-R158 IonicContact OD1-NE 3.3Å; D156-R158 PolarHBondContact OD1-NE 2.92Å; D156-R158 IonicContact OD1-NH2 3.59Å; D156-R158 PolarHBondContact OD1-NH2 3.41Å; D156-R158 IonicContact OD2-CZ 3.66Å; D156-R158 IonicContact OD2-NE 3.7Å; D156-R158 IonicContact OD2-NH2 3.32Å; D156-R158 PolarHBondContact OD2-NH2 3.19Å; D156-H163 IonicContact OD2-CE1 3.96Å; D156-H163 IonicContact OD2-NE2 3.43Å; D156-H163 PolarHBondContact OD2-NE2 3.47Å
157	K	89.2	Confident	92.2	Very high	133 Å²	133	32.8 Å²	32.8	58%	0.578	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84	9.5	-175.4	-66.3	-60.4	-174.1	178.3	0	114.7	D151	D151-K157 HydrophobicContact CB-CD 4.26Å; D151-K157 VanDerWaalsContact OD2-CD 3.24Å; D151-K157 WeakPolarHBondContact OD2-CD 3.4Å; D151-K157 IonicContact OD2-NZ 2.65Å; D151-K157 PolarHBondContact OD2-NZ 2.99Å
158	R	92.1	Very high	92.5	Very high	111 Å²	111	32.8 Å²	32.8	42%	0.419	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	156.3	171.3	-60.2	171.5	-63	163.1	7.5	109.8	D151 C152 D156 V162	D151-R158 WeakPolarHBondContact CA-O 3.33Å; C152-R158 PolarHBondContact N-O 2.85Å; C152-R158 VanDerWaalsContact N-O 3.08Å; C152-R158 PolarHBondContact SG-O 2.76Å; D156-R158 VanDerWaalsContact C-N 3.26Å; D156-R158 PolarHBondContact O-N 2.81Å; D156-R158 WeakPolarHBondContact OD1-CB 3.26Å; D156-R158 IonicContact OD1-CZ 2.7Å; D156-R158 PolarHBondContact OD1-N 2.85Å; D156-R158 IonicContact OD1-NE 3.3Å; D156-R158 PolarHBondContact OD1-NE 2.92Å; D156-R158 IonicContact OD1-NH2 3.59Å; D156-R158 PolarHBondContact OD1-NH2 3.41Å; D156-R158 IonicContact OD2-CZ 3.66Å; D156-R158 IonicContact OD2-NE 3.7Å; D156-R158 IonicContact OD2-NH2 3.32Å; D156-R158 PolarHBondContact OD2-NH2 3.19Å; R158-V162 HydrophobicContact CB-CG1 4.09Å
159	S	93.5	Very high	93	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.3	177.2	-64.4	0	0	0	0	112.3	E149 Y150 F161 V162 Q191	E149-S159 VanDerWaalsContact O-CB 3.26Å; E149-S159 WeakPolarHBondContact O-CB 3.45Å; E149-S159 PolarHBondContact O-OG 3.22Å; Y150-S159 CarbonylContact O-C 3.51Å; Y150-S159 WeakPolarHBondContact O-CA 3.34Å; S159-F161 PolarHBondContact O-N 2.96Å; S159-F161 VanDerWaalsContact O-N 3.12Å; S159-V162 VanDerWaalsContact O-CG1 3.3Å; S159-V162 WeakPolarHBondContact O-CG1 3.43Å; S159-V162 PolarHBondContact O-N 2.82Å; S159-V162 VanDerWaalsContact O-N 3.1Å; S159-Q191 VanDerWaalsContact OG-CB 3.29Å; S159-Q191 WeakPolarHBondContact OG-CB 3.45Å; S159-Q191 VanDerWaalsContact OG-CG 3.3Å; S159-Q191 WeakPolarHBondContact OG-CG 3.22Å
160	K	94.2	Very high	93.5	Very high	28 Å²	28	30.9 Å²	30.9	12%	0.122	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-50.7	-41.1	-175.8	-63.7	170.6	-170.7	165.5	0	112.8	P80 D148 Y150 D151 C152 V162 H163 Y164	P80-K160 HydrophobicContact CB-CB 4.11Å; P80-K160 HydrophobicContact CG-CB 3.56Å; P80-K160 HydrophobicContact CG-CD 4.23Å; P80-K160 HydrophobicContact CG-CG 3.47Å; P80-K160 VanDerWaalsContact CG-CG 3.47Å; D148-K160 HydrophobicContact CB-CD 3.98Å; D148-K160 WeakPolarHBondContact O-CB 3.34Å; D148-K160 PolarHBondContact O-N 2.69Å; D148-K160 WeakPolarHBondContact OD2-CD 3.29Å; D148-K160 IonicContact OD2-NZ 2.84Å; D148-K160 PolarHBondContact OD2-NZ 3.04Å; Y150-K160 WeakPolarHBondContact O-CG 3.3Å; Y150-K160 PolarHBondContact O-N 2.66Å; D151-K160 VanDerWaalsContact O-CE 3.26Å; D151-K160 WeakPolarHBondContact O-CE 3.41Å; C152-K160 VanDerWaalsContact SG-CA 3.56Å; K160-V162 PolarHBondContact O-N 2.8Å; K160-H163 PolarHBondContact O-N 2.97Å; K160-H163 VanDerWaalsContact O-N 3.14Å; K160-Y164 WeakPolarHBondContact CB-OH 3.44Å
161	F	93.6	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.6	-16.6	-176.3	55.3	-131.5	0	0	0	115.6	A147 D148 E149 S159 H163 Y164 Q191 F192 L195	A147-F161 HydrophobicContact CB-CB 3.56Å; A147-F161 HydrophobicContact CB-CD1 4.14Å; A147-F161 HydrophobicContact CB-CG 4.28Å; D148-F161 WeakPolarHBondContact O-CD1 3.46Å; D148-F161 PolarHBondContact O-N 3.26Å; E149-F161 HydrophobicContact CB-CE1 3.9Å; S159-F161 PolarHBondContact O-N 2.96Å; S159-F161 VanDerWaalsContact O-N 3.12Å; F161-H163 PolarHBondContact O-N 3.38Å; F161-H163 VanDerWaalsContact O-N 3.1Å; F161-Y164 HydrophobicContact CB-CD2 3.93Å; F161-Y164 HydrophobicContact CB-CE2 4.2Å; F161-Y164 PolarHBondContact O-N 3.5Å; F161-Q191 HydrophobicContact CE2-CB 4.14Å; F161-Q191 WeakPolarHBondContact CE2-O 3.29Å; F161-Q191 HydrophobicContact CZ-CB 3.73Å; F161-F192 HydrophobicContact CE1-CD2 4.05Å; F161-F192 AromaticContact CE1-CE2 3.96Å; F161-F192 HydrophobicContact CE1-CE2 3.96Å; F161-F192 AromaticContact CZ-CD2 3.98Å; F161-F192 HydrophobicContact CZ-CD2 3.98Å; F161-F192 HydrophobicContact CZ-CE2 4.35Å; F161-L195 HydrophobicContact CB-CD1 4.04Å; F161-L195 HydrophobicContact CB-CD2 3.98Å; F161-L195 HydrophobicContact CD1-CD2 4.1Å; F161-L195 HydrophobicContact CD2-CB 3.65Å; F161-L195 HydrophobicContact CD2-CD1 4Å; F161-L195 HydrophobicContact CD2-CD2 3.86Å; F161-L195 HydrophobicContact CD2-CG 4.04Å; F161-L195 HydrophobicContact CE2-CB 3.76Å; F161-L195 HydrophobicContact CE2-CD2 4.38Å; F161-L195 HydrophobicContact CG-CB 4.39Å; F161-L195 HydrophobicContact CG-CD1 4.26Å; F161-L195 HydrophobicContact CG-CD2 3.73Å; F161-L195 HydrophobicContact CG-CG 4.35Å; F161-L195 VanDerWaalsContact O-CD1 3.31Å; F161-L195 WeakPolarHBondContact O-CD1 3.13Å
162	V	91.1	Very high	94.3	Very high	22 Å²	22	28.2 Å²	28.2	13%	0.133	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-65.3	-16.9	178.8	78.9	0	0	0	0	111.9	R158 S159 K160 H194 I198	R158-V162 HydrophobicContact CB-CG1 4.09Å; S159-V162 VanDerWaalsContact O-CG1 3.3Å; S159-V162 WeakPolarHBondContact O-CG1 3.43Å; S159-V162 PolarHBondContact O-N 2.82Å; S159-V162 VanDerWaalsContact O-N 3.1Å; K160-V162 PolarHBondContact O-N 2.8Å; V162-H194 HydrophobicContact CG2-CB 4.44Å; V162-I198 WeakPolarHBondContact O-CD1 3.45Å
163	H	94.4	Very high	94.6	Very high	20 Å²	20	29.5 Å²	29.5	9%	0.093	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-93.5	-5.9	177.2	-65.4	-85.5	0	0	0	113	P80 H84 C152 D156 K160 F161 C165	P80-H163 HydrophobicContact CB-CB 3.86Å; P80-H163 WeakPolarHBondContact O-CB 3.46Å; H84-H163 HydrophobicContact CB-CB 4.11Å; H84-H163 WeakPolarHBondContact CB-O 3.45Å; H84-H163 PolarHBondContact CD2-O 3.14Å; H84-H163 VanDerWaalsContact CD2-O 3.24Å; C152-H163 PolarHBondContact SG-CD2 3.36Å; C152-H163 PolarHBondContact SG-NE2 3.27Å; D156-H163 IonicContact OD2-CE1 3.96Å; D156-H163 IonicContact OD2-NE2 3.43Å; D156-H163 PolarHBondContact OD2-NE2 3.47Å; K160-H163 PolarHBondContact O-N 2.97Å; K160-H163 VanDerWaalsContact O-N 3.14Å; F161-H163 PolarHBondContact O-N 3.38Å; F161-H163 VanDerWaalsContact O-N 3.1Å; H163-C165 PolarHBondContact O-N 2.96Å
164	Y	95.2	Very high	94.7	Very high	14 Å²	14	29.5 Å²	29.5	6%	0.055	13%	0.134	C	C	.	.	S	Bend	trans	-87.8	-6.3	-167.6	-62.1	-13	0	0	0	115.3	P80 L83 L88 V93 I145 E146 A147 K160 F161	P80-Y164 HydrophobicContact CB-CE1 4Å; L83-Y164 HydrophobicContact CD1-CE1 4.05Å; L88-Y164 HydrophobicContact CD1-CD1 3.79Å; L88-Y164 HydrophobicContact CD1-CG 4.18Å; V93-Y164 WeakPolarHBondContact CG1-O 3.35Å; I145-Y164 HydrophobicContact CD1-CD1 4.05Å; I145-Y164 HydrophobicContact CD1-CD2 3.96Å; I145-Y164 HydrophobicContact CD1-CE1 3.88Å; I145-Y164 HydrophobicContact CD1-CE2 3.79Å; I145-Y164 HydrophobicContact CD1-CG 4.11Å; I145-Y164 HydrophobicContact CG1-CD2 4.09Å; I145-Y164 HydrophobicContact CG1-CE2 3.93Å; I145-Y164 HydrophobicContact CG2-CD2 3.96Å; I145-Y164 HydrophobicContact CG2-CG 4.28Å; E146-Y164 VanDerWaalsContact O-CE2 3.29Å; E146-Y164 WeakPolarHBondContact O-CE2 3.37Å; A147-Y164 HydrophobicContact CB-CD2 4.38Å; K160-Y164 WeakPolarHBondContact CB-OH 3.44Å; F161-Y164 HydrophobicContact CB-CD2 3.93Å; F161-Y164 HydrophobicContact CB-CE2 4.2Å; F161-Y164 PolarHBondContact O-N 3.5Å
165	C	91.6	Very high	94.7	Very high	49 Å²	49	30.1 Å²	30.1	33%	0.331	14%	0.137	S	C	.	.			trans	42.3	54.2	177	-69	0	0	0	0	115	H84 H163 R167	H84-C165 PolarHBondContact CD2-SG 3.37Å; H84-C165 PolarHBondContact NE2-SG 3.39Å; H84-C165 VanDerWaalsContact NE2-SG 3.42Å; H163-C165 PolarHBondContact O-N 2.96Å; C165-R167 PolarHBondContact O-N 3.45Å
166	P	97.4	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.			trans	-60.8	136.6	-177.5	24	-33.5	0	0	0	112.8	A95 L169 L195 V199 P200	A95-P166 HydrophobicContact CB-CB 3.75Å; A95-P166 HydrophobicContact CB-CG 4.35Å; P166-L169 HydrophobicContact CB-CB 4.14Å; P166-L169 HydrophobicContact CG-CB 4.38Å; P166-L169 HydrophobicContact CG-CD1 4.49Å; P166-L195 HydrophobicContact CG-CD1 3.83Å; P166-V199 HydrophobicContact CG-CG2 3.9Å; P166-P200 VanDerWaalsContact O-CD 3.3Å; P166-P200 WeakPolarHBondContact O-CD 3.46Å
167	R	97.8	Very high	94	Very high	71 Å²	71	28.3 Å²	28.3	27%	0.268	13%	0.129	S	C	.	.	S	Bend	trans	-96.1	-33.4	163.6	-163.5	71.4	176	-149.6	-1	110.9	W92 V93 C165 G203 R204 H281	W92-R167 HydrophobicContact CD2-CB 4.09Å; W92-R167 HydrophobicContact CD2-CG 3.8Å; W92-R167 VanDerWaalsContact CE2-CG 3.48Å; W92-R167 HydrophobicContact CE3-CG 4.19Å; W92-R167 HydrophobicContact CG-CB 4.11Å; W92-R167 HydrophobicContact CG-CG 4.35Å; W92-R167 HydrophobicContact CH2-CG 4.09Å; W92-R167 HydrophobicContact CZ2-CB 4.47Å; W92-R167 HydrophobicContact CZ2-CG 3.66Å; W92-R167 HydrophobicContact CZ3-CG 4.32Å; V93-R167 PolarHBondContact O-N 2.93Å; C165-R167 PolarHBondContact O-N 3.45Å; R167-G203 CarbonylContact O-C 3.52Å; R167-G203 WeakPolarHBondContact O-CA 3.33Å; R167-R204 PolarHBondContact O-N 3.38Å; R167-H281 PolarHBondContact O-CE1 3.48Å
168	T	98.6	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.3	165.2	-48.2	0	0	0	0	108.1	W92 V93 L94 A95 R204 I206 A278 H281	W92-T168 PolarHBondContact NE1-OG1 3.1Å; W92-T168 VanDerWaalsContact NE1-OG1 3.09Å; V93-T168 PolarHBondContact O-N 3.22Å; L94-T168 CarbonylContact C-O 3.52Å; L94-T168 VanDerWaalsContact CA-O 3.3Å; L94-T168 WeakPolarHBondContact CA-O 3.47Å; A95-T168 PolarHBondContact N-O 3.18Å; T168-R204 WeakPolarHBondContact CA-O 3.34Å; T168-I206 HydrophobicContact CG2-CD1 4.11Å; T168-A278 HydrophobicContact CG2-CB 3.87Å; T168-H281 HydrophobicContact CG2-CB 4.27Å; T168-H281 PolarHBondContact OG1-ND1 2.84Å
169	L	98.6	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.2	177.3	175.4	60.6	0	0	0	109.4	A95 A97 P166 L171 L195 V199 R204 I205 I206	A95-L169 HydrophobicContact CB-CD1 4.13Å; A97-L169 HydrophobicContact CB-CD1 4.43Å; P166-L169 HydrophobicContact CB-CB 4.14Å; P166-L169 HydrophobicContact CG-CB 4.38Å; P166-L169 HydrophobicContact CG-CD1 4.49Å; L169-L171 HydrophobicContact CD1-CD2 3.91Å; L169-L171 HydrophobicContact CD2-CD2 3.91Å; L169-L171 HydrophobicContact CD2-CG 4.33Å; L169-L171 HydrophobicContact CG-CD2 3.82Å; L169-L171 HydrophobicContact CG-CG 4.18Å; L169-L195 HydrophobicContact CD1-CD2 3.55Å; L169-L195 HydrophobicContact CD1-CG 4.06Å; L169-L195 HydrophobicContact CD2-CD2 4.07Å; L169-L195 HydrophobicContact CD2-CG 3.84Å; L169-L195 HydrophobicContact CG-CD2 4.47Å; L169-V199 HydrophobicContact CB-CG2 4.17Å; L169-V199 HydrophobicContact CD2-CG2 3.77Å; L169-R204 PolarHBondContact N-O 2.92Å; L169-I205 HydrophobicContact CB-CG1 4.26Å; L169-I205 HydrophobicContact CB-CG2 4.49Å; L169-I205 HydrophobicContact CD2-CD1 4.28Å; L169-I205 HydrophobicContact CD2-CG1 4.28Å; L169-I205 HydrophobicContact CD2-CG2 4.2Å; L169-I205 HydrophobicContact CG-CG2 4.35Å; L169-I205 CarbonylContact O-C 3.49Å; L169-I205 WeakPolarHBondContact O-CA 3.45Å; L169-I206 PolarHBondContact O-N 3.49Å
170	I	98.7	Very high	92.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.9	168.9	-54.6	178.3	0	0	0	108	A95 V96 A97 T105 N172 I206 M274 A278	A95-I170 PolarHBondContact O-N 2.83Å; V96-I170 HydrophobicContact CG1-CB 4.39Å; V96-I170 HydrophobicContact CG2-CD1 3.98Å; A97-I170 PolarHBondContact N-O 3.33Å; T105-I170 HydrophobicContact CG2-CD1 3.76Å; T105-I170 HydrophobicContact CG2-CG2 4.23Å; I170-N172 WeakPolarHBondContact CG2-OD1 3.5Å; I170-I206 WeakPolarHBondContact CA-O 3.43Å; I170-M274 HydrophobicContact CG2-CB 3.82Å; I170-M274 HydrophobicContact CG2-CG 4.19Å; I170-M274 HydrophobicContact CG2-SD 4.17Å; I170-A278 HydrophobicContact CD1-CB 3.45Å; I170-A278 VanDerWaalsContact CD1-CB 3.45Å; I170-A278 HydrophobicContact CG1-CB 3.76Å
171	L	98.3	Very high	92.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	98.1	169.1	-54.2	179.2	0	0	0	107.6	A97 L169 F192 V196 I205 I206 W207 P208 L214 M218	A97-L171 HydrophobicContact CB-CD2 3.76Å; L169-L171 HydrophobicContact CD1-CD2 3.91Å; L169-L171 HydrophobicContact CD2-CD2 3.91Å; L169-L171 HydrophobicContact CD2-CG 4.33Å; L169-L171 HydrophobicContact CG-CD2 3.82Å; L169-L171 HydrophobicContact CG-CG 4.18Å; L171-F192 HydrophobicContact CD2-CD1 4.03Å; L171-F192 HydrophobicContact CD2-CE1 4.27Å; L171-V196 HydrophobicContact CD1-CG2 4.44Å; L171-I205 HydrophobicContact CD1-CG2 3.87Å; L171-I205 HydrophobicContact CG-CG2 4.14Å; L171-I206 PolarHBondContact N-O 3.46Å; L171-W207 HydrophobicContact CB-CB 3.94Å; L171-W207 HydrophobicContact CD1-CB 4.45Å; L171-P208 WeakPolarHBondContact O-CD 3.32Å; L171-L214 HydrophobicContact CB-CD1 3.87Å; L171-L214 HydrophobicContact CB-CD2 4Å; L171-L214 HydrophobicContact CD1-CD2 4.03Å; L171-M218 HydrophobicContact CD1-SD 4.21Å
172	N	96.4	Very high	91.8	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.059	12%	0.12	C	C	.	.			trans	-66.9	-44.6	-173.7	-84.8	-8.4	0	0	0	113.1	A97 H100 G101 T105 I170 P208	A97-N172 PolarHBondContact O-N 2.98Å; H100-N172 PolarHBondContact O-ND2 2.77Å; G101-N172 PolarHBondContact O-ND2 3.14Å; T105-N172 PolarHBondContact OG1-ND2 3.28Å; T105-N172 PolarHBondContact OG1-OD1 3.06Å; I170-N172 WeakPolarHBondContact CG2-OD1 3.5Å; N172-P208 WeakPolarHBondContact O-CG 3.23Å
173	N	95.3	Very high	91.6	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.16	15%	0.154	C	C	.	.			trans	-171.4	164.9	-176.3	48.9	71.8	0	0	0	108.9	G98 T99 H100 D211	G98-N173 WeakPolarHBondContact CA-O 3.29Å; T99-N173 WeakPolarHBondContact CB-OD1 3.49Å; T99-N173 PolarHBondContact N-O 2.94Å; T99-N173 PolarHBondContact N-OD1 3Å; T99-N173 VanDerWaalsContact N-OD1 3.07Å; H100-N173 PolarHBondContact N-OD1 3.28Å; H100-N173 PolarHBondContact O-ND2 3Å; N173-D211 WeakPolarHBondContact CA-OD2 3.35Å
174	L	95.1	Very high	91.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.			trans	-141.7	117.2	171.3	-177.7	59.9	0	0	0	111.6	L185 I188 Q189 F192 D211 N213 L214 T217	L174-L185 HydrophobicContact CG-CD1 4.47Å; L174-I188 HydrophobicContact CD1-CD1 3.82Å; L174-I188 HydrophobicContact CD1-CG1 3.89Å; L174-I188 HydrophobicContact CD1-CG2 4.12Å; L174-Q189 HydrophobicContact CD2-CB 4.41Å; L174-Q189 HydrophobicContact CD2-CG 3.6Å; L174-F192 HydrophobicContact CD1-CD1 4.33Å; L174-F192 HydrophobicContact CD1-CD2 3.99Å; L174-F192 HydrophobicContact CD1-CE1 4.14Å; L174-F192 HydrophobicContact CD1-CE2 3.79Å; L174-F192 HydrophobicContact CD1-CG 4.26Å; L174-F192 HydrophobicContact CD1-CZ 3.87Å; L174-F192 HydrophobicContact CD2-CD1 4.47Å; L174-F192 HydrophobicContact CD2-CG 4.36Å; L174-D211 PolarHBondContact N-OD2 3.28Å; L174-N213 HydrophobicContact CB-CB 4.03Å; L174-N213 HydrophobicContact CD2-CB 4.21Å; L174-N213 HydrophobicContact CG-CB 4.09Å; L174-N213 VanDerWaalsContact O-CB 3.25Å; L174-N213 WeakPolarHBondContact O-CB 3.34Å; L174-N213 PolarHBondContact O-ND2 3.33Å; L174-L214 HydrophobicContact CB-CD2 3.65Å; L174-L214 HydrophobicContact CB-CG 3.76Å; L174-L214 HydrophobicContact CD2-CD2 4.09Å; L174-T217 WeakPolarHBondContact CD2-OG1 3.47Å
175	E	91.4	Very high	91.2	Very high	54 Å²	54	34.2 Å²	34.2	25%	0.252	18%	0.177	S	C	.	.			trans	-130.1	165.4	173	-66.6	177.8	-167.7	0	0	109.7	T99 H100 D177 H321 T323	T99-E175 HydrophobicContact CG2-CB 4.29Å; T99-E175 PolarHBondContact OG1-N 3.01Å; T99-E175 PolarHBondContact OG1-O 3.28Å; H100-E175 IonicContact NE2-OE2 3.11Å; E175-D177 PolarHBondContact O-N 2.94Å; E175-H321 IonicContact OE2-CE1 3.45Å; E175-H321 PolarHBondContact OE2-CE1 2.87Å; E175-H321 IonicContact OE2-ND1 2.77Å; E175-T323 PolarHBondContact OE2-OG1 3.17Å
176	F	87.7	Confident	91.4	Very high	47 Å²	47	39.2 Å²	39.2	21%	0.206	19%	0.193	C	C	.	.			trans	-73.2	115.7	174.3	-178.8	-123.8	0	0	0	109.8	A179 F182 D184 L185 I357	F176-A179 HydrophobicContact CE1-CB 4.06Å; F176-A179 HydrophobicContact CZ-CB 3.77Å; F176-F182 HydrophobicContact CE2-CB 4.23Å; F176-F182 WeakPolarHBondContact CE2-O 3.15Å; F176-D184 VanDerWaalsContact CD2-C 3.45Å; F176-D184 VanDerWaalsContact CE2-C 3.45Å; F176-D184 VanDerWaalsContact CE2-CA 3.47Å; F176-L185 HydrophobicContact CB-CB 4.34Å; F176-L185 HydrophobicContact CB-CD1 4.46Å; F176-I357 HydrophobicContact CD1-CG2 4.25Å; F176-I357 HydrophobicContact CE1-CD1 3.99Å; F176-I357 HydrophobicContact CE1-CG2 4.04Å
177	D	83.9	Confident	91.1	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	20%	0.203	C	C	.	.			trans	-149.1	174	175.2	-160	0.7	0	0	0	108.6	T99 E175 A179 T352	T99-D177 HydrophobicContact CG2-CB 3.48Å; T99-D177 VanDerWaalsContact CG2-CB 3.48Å; E175-D177 PolarHBondContact O-N 2.94Å; D177-A179 VanDerWaalsContact C-N 3.35Å; D177-T352 WeakPolarHBondContact OD1-CB 3.46Å; D177-T352 PolarHBondContact OD1-OG1 2.88Å
178	H	82.4	Confident	90.9	Very high	22 Å²	22	37 Å²	37	10%	0.102	19%	0.19	C	C	.	.			trans	56.9	47.6	-174.6	-52.4	-68.8	0	0	0	112.4	E149 Y150 D180 I181 F182 T352	E149-H178 WeakPolarHBondContact CG-CD2 3.37Å; E149-H178 IonicContact OE1-CD2 2.9Å; E149-H178 PolarHBondContact OE1-CD2 3.36Å; E149-H178 IonicContact OE1-NE2 3.63Å; E149-H178 PolarHBondContact OE1-NE2 2.97Å; E149-H178 VanDerWaalsContact OE1-NE2 3.11Å; Y150-H178 AromaticContact CE2-CE1 3.29Å; Y150-H178 WeakPolarHBondContact CE2-CE1 3.42Å; Y150-H178 AromaticContact CE2-ND1 3.18Å; Y150-H178 WeakPolarHBondContact CE2-ND1 3.46Å; Y150-H178 AromaticContact CZ-CE1 3.78Å; Y150-H178 AromaticContact CZ-ND1 3.16Å; Y150-H178 PolarHBondContact OH-ND1 3.42Å; H178-D180 VanDerWaalsContact CA-OD1 3.25Å; H178-D180 WeakPolarHBondContact CA-OD1 3.4Å; H178-D180 PolarHBondContact O-N 3.35Å; H178-I181 HydrophobicContact CB-CD1 4.24Å; H178-I181 HydrophobicContact CB-CG1 3.88Å; H178-I181 WeakPolarHBondContact O-CG1 3.5Å; H178-I181 PolarHBondContact O-N 3.49Å; H178-F182 HydrophobicContact CB-CD2 3.99Å; H178-F182 HydrophobicContact CB-CE2 4.27Å; H178-F182 PolarHBondContact O-N 3.25Å; H178-T352 PolarHBondContact N-OG1 3.07Å
179	A	83.1	Confident	90.8	Very high	13 Å²	13	37.7 Å²	37.7	11%	0.107	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-6.9	179.7	0	0	0	0	0	114.1	F176 D177 I181 T352 M355 I357	F176-A179 HydrophobicContact CE1-CB 4.06Å; F176-A179 HydrophobicContact CZ-CB 3.77Å; D177-A179 VanDerWaalsContact C-N 3.35Å; A179-I181 VanDerWaalsContact C-N 3.34Å; A179-T352 HydrophobicContact CB-CG2 4.47Å; A179-M355 HydrophobicContact CB-CE 4.27Å; A179-M355 HydrophobicContact CB-SD 3.93Å; A179-I357 HydrophobicContact CB-CD1 3.31Å
180	D	81.1	Confident	90.6	Very high	67 Å²	67	43.2 Å²	43.2	36%	0.358	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.8	170	54.7	-38.7	0	0	0	113.6	Y150 H178 N351	Y150-D180 PolarHBondContact OH-OD2 3.19Å; H178-D180 VanDerWaalsContact CA-OD1 3.25Å; H178-D180 WeakPolarHBondContact CA-OD1 3.4Å; H178-D180 PolarHBondContact O-N 3.35Å; D180-N351 HydrophobicContact CB-CB 4.09Å; D180-N351 PolarHBondContact OD2-ND2 3.23Å
181	I	83.2	Confident	90.5	Very high	60 Å²	60	44.4 Å²	44.4	31%	0.308	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-18.6	-179.7	59.1	163.5	0	0	0	114.3	Y150 H178 A179	Y150-I181 HydrophobicContact CD1-CD1 3.66Å; Y150-I181 HydrophobicContact CD1-CG1 4.45Å; Y150-I181 HydrophobicContact CE1-CD1 4.11Å; Y150-I181 HydrophobicContact CE1-CG1 4.47Å; Y150-I181 HydrophobicContact CG-CD1 4.23Å; H178-I181 HydrophobicContact CB-CD1 4.24Å; H178-I181 HydrophobicContact CB-CG1 3.88Å; H178-I181 WeakPolarHBondContact O-CG1 3.5Å; H178-I181 PolarHBondContact O-N 3.49Å; A179-I181 VanDerWaalsContact C-N 3.34Å
182	F	87.6	Confident	90.4	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	22%	0.223	C	C	.	.			trans	-113.3	124.9	176.5	-61.9	-53.5	0	0	0	110.8	E149 F176 H178 D184 A187 I188 Q191	E149-F182 HydrophobicContact CB-CE2 4.29Å; E149-F182 HydrophobicContact CG-CE2 4.32Å; E149-F182 WeakPolarHBondContact O-CZ 3.4Å; F176-F182 HydrophobicContact CE2-CB 4.23Å; F176-F182 WeakPolarHBondContact CE2-O 3.15Å; H178-F182 HydrophobicContact CB-CD2 3.99Å; H178-F182 HydrophobicContact CB-CE2 4.27Å; H178-F182 PolarHBondContact O-N 3.25Å; F182-D184 VanDerWaalsContact C-N 3.33Å; F182-D184 PolarHBondContact O-N 3.4Å; F182-A187 HydrophobicContact CB-CB 4.21Å; F182-A187 HydrophobicContact CD1-CB 4.07Å; F182-I188 HydrophobicContact CD1-CB 4.43Å; F182-I188 HydrophobicContact CD2-CB 3.89Å; F182-I188 HydrophobicContact CD2-CD1 4.14Å; F182-I188 HydrophobicContact CD2-CG1 4.08Å; F182-I188 HydrophobicContact CE2-CB 4.13Å; F182-I188 HydrophobicContact CE2-CD1 4.05Å; F182-I188 HydrophobicContact CE2-CG1 3.88Å; F182-I188 HydrophobicContact CG-CB 4.06Å; F182-I188 HydrophobicContact CZ-CG1 4.33Å; F182-Q191 HydrophobicContact CE1-CG 3.65Å; F182-Q191 HydrophobicContact CZ-CG 4.07Å
183	D	87	Confident	90.4	Very high	159 Å²	159	44.5 Å²	44.5	85%	0.85	22%	0.223	S	C	*	.	S	Bend	trans	-68.3	-34	179.6	-60.3	-41.5	0	0	0	112.3
184	D	89.9	Confident	90.4	Very high	72 Å²	72	45.7 Å²	45.7	39%	0.385	23%	0.227	S	C	.	.	S	Bend	trans	-158.3	176.7	-178.5	66.8	18.5	0	0	0	112.4	F176 F182 K186 A187	F176-D184 VanDerWaalsContact CD2-C 3.45Å; F176-D184 VanDerWaalsContact CE2-C 3.45Å; F176-D184 VanDerWaalsContact CE2-CA 3.47Å; F182-D184 VanDerWaalsContact C-N 3.33Å; F182-D184 PolarHBondContact O-N 3.4Å; D184-K186 PolarHBondContact O-N 3.34Å; D184-K186 WeakPolarHBondContact OD1-CA 3.06Å; D184-K186 VanDerWaalsContact OD1-CB 3.32Å; D184-K186 WeakPolarHBondContact OD1-CB 3.16Å; D184-K186 PolarHBondContact OD1-N 2.89Å; D184-A187 WeakPolarHBondContact O-CB 3.44Å; D184-A187 PolarHBondContact O-N 3.45Å; D184-A187 PolarHBondContact OD1-N 2.89Å
185	L	91	Very high	90.5	Very high	46 Å²	46	45.7 Å²	45.7	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-32.6	175.1	179.3	62.8	0	0	0	113	L174 F176 A187 I188 Q189 N213	L174-L185 HydrophobicContact CG-CD1 4.47Å; F176-L185 HydrophobicContact CB-CB 4.34Å; F176-L185 HydrophobicContact CB-CD1 4.46Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 3.27Å; L185-I188 HydrophobicContact CD1-CG2 3.96Å; L185-I188 WeakPolarHBondContact O-CG2 3.32Å; L185-I188 PolarHBondContact O-N 3.42Å; L185-Q189 HydrophobicContact CD1-CG 4.39Å; L185-Q189 HydrophobicContact CG-CG 4.32Å; L185-Q189 WeakPolarHBondContact O-CB 3.34Å; L185-Q189 VanDerWaalsContact O-CG 3.25Å; L185-Q189 WeakPolarHBondContact O-CG 3.45Å; L185-Q189 PolarHBondContact O-N 2.88Å; L185-N213 HydrophobicContact CD1-CB 4.44Å; L185-N213 WeakPolarHBondContact CD2-OD1 3.45Å
186	K	94.2	Very high	90.8	Very high	154 Å²	154	43.1 Å²	43.1	67%	0.67	22%	0.215	S	C	*	.	H	α-helix	trans	-70.1	-33.6	-179.3	-65.8	176.7	179.7	171	0	111.2	D184 Q189 K190	D184-K186 PolarHBondContact O-N 3.34Å; D184-K186 WeakPolarHBondContact OD1-CA 3.06Å; D184-K186 VanDerWaalsContact OD1-CB 3.32Å; D184-K186 WeakPolarHBondContact OD1-CB 3.16Å; D184-K186 PolarHBondContact OD1-N 2.89Å; K186-Q189 PolarHBondContact O-N 2.72Å; K186-K190 WeakPolarHBondContact O-CB 3.29Å; K186-K190 PolarHBondContact O-N 2.98Å
187	A	92.2	Very high	91.2	Very high	25 Å²	25	47.6 Å²	47.6	21%	0.207	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-45.5	176.1	0	0	0	0	0	111.6	F182 D184 L185 K190 Q191	F182-A187 HydrophobicContact CB-CB 4.21Å; F182-A187 HydrophobicContact CD1-CB 4.07Å; D184-A187 WeakPolarHBondContact O-CB 3.44Å; D184-A187 PolarHBondContact O-N 3.45Å; D184-A187 PolarHBondContact OD1-N 2.89Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 3.27Å; A187-K190 WeakPolarHBondContact O-CB 3.44Å; A187-K190 PolarHBondContact O-N 3.17Å; A187-Q191 PolarHBondContact O-N 3.34Å
188	I	93	Very high	91.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.7	-41.5	176.1	-169.3	174.1	0	0	0	111.7	E149 L174 F182 L185 K190 Q191 F192	E149-I188 HydrophobicContact CG-CD1 4.5Å; L174-I188 HydrophobicContact CD1-CD1 3.82Å; L174-I188 HydrophobicContact CD1-CG1 3.89Å; L174-I188 HydrophobicContact CD1-CG2 4.12Å; F182-I188 HydrophobicContact CD1-CB 4.43Å; F182-I188 HydrophobicContact CD2-CB 3.89Å; F182-I188 HydrophobicContact CD2-CD1 4.14Å; F182-I188 HydrophobicContact CD2-CG1 4.08Å; F182-I188 HydrophobicContact CE2-CB 4.13Å; F182-I188 HydrophobicContact CE2-CD1 4.05Å; F182-I188 HydrophobicContact CE2-CG1 3.88Å; F182-I188 HydrophobicContact CG-CB 4.06Å; F182-I188 HydrophobicContact CZ-CG1 4.33Å; L185-I188 HydrophobicContact CD1-CG2 3.96Å; L185-I188 WeakPolarHBondContact O-CG2 3.32Å; L185-I188 PolarHBondContact O-N 3.42Å; I188-K190 PolarHBondContact O-N 3.49Å; I188-Q191 PolarHBondContact O-N 3.08Å; I188-F192 HydrophobicContact CD1-CE2 4.04Å; I188-F192 HydrophobicContact CG1-CD2 3.89Å; I188-F192 HydrophobicContact CG1-CE2 3.76Å; I188-F192 WeakPolarHBondContact O-CD2 3.22Å; I188-F192 PolarHBondContact O-N 3.27Å
189	Q	96.6	Very high	92.4	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-40.7	172.5	-76.2	178.5	-45.2	0	0	111.9	L174 L185 K186 Q191 F192 H193 N213 T217	L174-Q189 HydrophobicContact CD2-CB 4.41Å; L174-Q189 HydrophobicContact CD2-CG 3.6Å; L185-Q189 HydrophobicContact CD1-CG 4.39Å; L185-Q189 HydrophobicContact CG-CG 4.32Å; L185-Q189 WeakPolarHBondContact O-CB 3.34Å; L185-Q189 VanDerWaalsContact O-CG 3.25Å; L185-Q189 WeakPolarHBondContact O-CG 3.45Å; L185-Q189 PolarHBondContact O-N 2.88Å; K186-Q189 PolarHBondContact O-N 2.72Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q189-F192 PolarHBondContact O-N 2.94Å; Q189-H193 WeakPolarHBondContact O-CB 3.18Å; Q189-H193 PolarHBondContact O-N 3.16Å; Q189-N213 PolarHBondContact NE2-O 3.43Å; Q189-T217 WeakPolarHBondContact CG-OG1 3.26Å
190	K	95.3	Very high	93	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-41.3	176.7	-175.8	-178.3	179.4	-176.8	0	112	K186 A187 I188 H193 H194	K186-K190 WeakPolarHBondContact O-CB 3.29Å; K186-K190 PolarHBondContact O-N 2.98Å; A187-K190 WeakPolarHBondContact O-CB 3.44Å; A187-K190 PolarHBondContact O-N 3.17Å; I188-K190 PolarHBondContact O-N 3.49Å; K190-H193 PolarHBondContact O-N 3.48Å; K190-H194 VanDerWaalsContact O-CG 3.31Å; K190-H194 PolarHBondContact O-N 3.34Å; K190-H194 PolarHBondContact O-ND1 3.31Å
191	Q	94.9	Very high	93.7	Very high	26 Å²	26	50.2 Å²	50.2	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-45.8	176	-62.4	-60.7	-21.9	0	0	111.3	S159 F161 F182 A187 I188 Q189 H193 H194 L195	S159-Q191 VanDerWaalsContact OG-CB 3.29Å; S159-Q191 WeakPolarHBondContact OG-CB 3.45Å; S159-Q191 VanDerWaalsContact OG-CG 3.3Å; S159-Q191 WeakPolarHBondContact OG-CG 3.22Å; F161-Q191 HydrophobicContact CE2-CB 4.14Å; F161-Q191 WeakPolarHBondContact CE2-O 3.29Å; F161-Q191 HydrophobicContact CZ-CB 3.73Å; F182-Q191 HydrophobicContact CE1-CG 3.65Å; F182-Q191 HydrophobicContact CZ-CG 4.07Å; A187-Q191 PolarHBondContact O-N 3.34Å; I188-Q191 PolarHBondContact O-N 3.08Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q191-H193 PolarHBondContact O-N 2.88Å; Q191-H194 WeakPolarHBondContact O-CA 3.35Å; Q191-H194 VanDerWaalsContact O-CB 3.3Å; Q191-H194 WeakPolarHBondContact O-CB 3.27Å; Q191-H194 PolarHBondContact O-N 2.72Å; Q191-H194 PolarHBondContact OE1-ND1 3.4Å; Q191-L195 PolarHBondContact O-N 3.39Å; Q191-L195 VanDerWaalsContact O-N 3.1Å
192	F	96.6	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-38.9	174.4	-85.9	-117.3	0	0	0	111.5	A97 E149 F161 L171 L174 I188 Q189 H194 L195 V196 L214 T217	A97-F192 HydrophobicContact CB-CE1 3.91Å; A97-F192 HydrophobicContact CB-CZ 4.31Å; E149-F192 HydrophobicContact CB-CE2 4.22Å; F161-F192 HydrophobicContact CE1-CD2 4.05Å; F161-F192 AromaticContact CE1-CE2 3.96Å; F161-F192 HydrophobicContact CE1-CE2 3.96Å; F161-F192 AromaticContact CZ-CD2 3.98Å; F161-F192 HydrophobicContact CZ-CD2 3.98Å; F161-F192 HydrophobicContact CZ-CE2 4.35Å; L171-F192 HydrophobicContact CD2-CD1 4.03Å; L171-F192 HydrophobicContact CD2-CE1 4.27Å; L174-F192 HydrophobicContact CD1-CD1 4.33Å; L174-F192 HydrophobicContact CD1-CD2 3.99Å; L174-F192 HydrophobicContact CD1-CE1 4.14Å; L174-F192 HydrophobicContact CD1-CE2 3.79Å; L174-F192 HydrophobicContact CD1-CG 4.26Å; L174-F192 HydrophobicContact CD1-CZ 3.87Å; L174-F192 HydrophobicContact CD2-CD1 4.47Å; L174-F192 HydrophobicContact CD2-CG 4.36Å; I188-F192 HydrophobicContact CD1-CE2 4.04Å; I188-F192 HydrophobicContact CG1-CD2 3.89Å; I188-F192 HydrophobicContact CG1-CE2 3.76Å; I188-F192 WeakPolarHBondContact O-CD2 3.22Å; I188-F192 PolarHBondContact O-N 3.27Å; Q189-F192 PolarHBondContact O-N 2.94Å; F192-H194 PolarHBondContact O-N 2.85Å; F192-L195 WeakPolarHBondContact O-CA 3.46Å; F192-L195 VanDerWaalsContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CB 3.14Å; F192-L195 PolarHBondContact O-N 2.82Å; F192-L195 VanDerWaalsContact O-N 3.1Å; F192-V196 WeakPolarHBondContact O-CG2 3.04Å; F192-V196 PolarHBondContact O-N 3.36Å; F192-L214 HydrophobicContact CD1-CD2 4.25Å; F192-T217 HydrophobicContact CB-CG2 3.89Å
193	H	97.2	Very high	94.6	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.06	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-36.7	173.8	-175.2	68.4	0	0	0	112.3	Q189 K190 Q191 L195 V196 R197 T217 M220 G221	Q189-H193 WeakPolarHBondContact O-CB 3.18Å; Q189-H193 PolarHBondContact O-N 3.16Å; K190-H193 PolarHBondContact O-N 3.48Å; Q191-H193 PolarHBondContact O-N 2.88Å; H193-L195 PolarHBondContact O-N 2.89Å; H193-V196 PolarHBondContact O-N 3.47Å; H193-R197 VanDerWaalsContact O-CG 3.25Å; H193-R197 WeakPolarHBondContact O-CG 3.41Å; H193-R197 PolarHBondContact O-N 3.06Å; H193-T217 HydrophobicContact CB-CG2 4.01Å; H193-T217 PolarHBondContact ND1-O 3.01Å; H193-M220 HydrophobicContact CB-CE 3.8Å; H193-M220 HydrophobicContact CB-SD 3.98Å; H193-M220 PolarHBondContact CE1-O 3.16Å; H193-M220 WeakPolarHBondContact ND1-CB 3.45Å; H193-G221 PolarHBondContact CE1-O 3.07Å; H193-G221 PolarHBondContact ND1-O 2.93Å
194	H	95.7	Very high	95.1	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.255	24%	0.238	S	C	.	.	H	α-helix	trans	-58.8	-35.9	170.9	-62.5	152.8	0	0	0	112.2	V162 K190 Q191 F192 R197	V162-H194 HydrophobicContact CG2-CB 4.44Å; K190-H194 VanDerWaalsContact O-CG 3.31Å; K190-H194 PolarHBondContact O-N 3.34Å; K190-H194 PolarHBondContact O-ND1 3.31Å; Q191-H194 WeakPolarHBondContact O-CA 3.35Å; Q191-H194 VanDerWaalsContact O-CB 3.3Å; Q191-H194 WeakPolarHBondContact O-CB 3.27Å; Q191-H194 PolarHBondContact O-N 2.72Å; Q191-H194 PolarHBondContact OE1-ND1 3.4Å; F192-H194 PolarHBondContact O-N 2.85Å; H194-R197 PolarHBondContact O-N 2.91Å
195	L	96.5	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-44.5	173.3	-176	57.2	0	0	0	112.1	A97 A147 F161 P166 L169 Q191 F192 H193 R197 I198	A97-L195 HydrophobicContact CB-CD2 4.09Å; A147-L195 HydrophobicContact CB-CD2 4.31Å; F161-L195 HydrophobicContact CB-CD1 4.04Å; F161-L195 HydrophobicContact CB-CD2 3.98Å; F161-L195 HydrophobicContact CD1-CD2 4.1Å; F161-L195 HydrophobicContact CD2-CB 3.65Å; F161-L195 HydrophobicContact CD2-CD1 4Å; F161-L195 HydrophobicContact CD2-CD2 3.86Å; F161-L195 HydrophobicContact CD2-CG 4.04Å; F161-L195 HydrophobicContact CE2-CB 3.76Å; F161-L195 HydrophobicContact CE2-CD2 4.38Å; F161-L195 HydrophobicContact CG-CB 4.39Å; F161-L195 HydrophobicContact CG-CD1 4.26Å; F161-L195 HydrophobicContact CG-CD2 3.73Å; F161-L195 HydrophobicContact CG-CG 4.35Å; F161-L195 VanDerWaalsContact O-CD1 3.31Å; F161-L195 WeakPolarHBondContact O-CD1 3.13Å; P166-L195 HydrophobicContact CG-CD1 3.83Å; L169-L195 HydrophobicContact CD1-CD2 3.55Å; L169-L195 HydrophobicContact CD1-CG 4.06Å; L169-L195 HydrophobicContact CD2-CD2 4.07Å; L169-L195 HydrophobicContact CD2-CG 3.84Å; L169-L195 HydrophobicContact CG-CD2 4.47Å; Q191-L195 PolarHBondContact O-N 3.39Å; Q191-L195 VanDerWaalsContact O-N 3.1Å; F192-L195 WeakPolarHBondContact O-CA 3.46Å; F192-L195 VanDerWaalsContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CB 3.14Å; F192-L195 PolarHBondContact O-N 2.82Å; F192-L195 VanDerWaalsContact O-N 3.1Å; H193-L195 PolarHBondContact O-N 2.89Å; L195-R197 PolarHBondContact O-N 3.25Å; L195-I198 HydrophobicContact CD1-CD1 3.97Å; L195-I198 HydrophobicContact CD1-CG1 4.2Å; L195-I198 WeakPolarHBondContact O-CG1 3.46Å; L195-I198 PolarHBondContact O-N 2.9Å
196	V	97	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-38.9	176.1	171.6	0	0	0	0	111.3	L171 F192 H193 I198 V199 I205 M218 G221 C222	L171-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 WeakPolarHBondContact O-CG2 3.04Å; F192-V196 PolarHBondContact O-N 3.36Å; H193-V196 PolarHBondContact O-N 3.47Å; V196-I198 VanDerWaalsContact C-N 3.26Å; V196-I198 PolarHBondContact O-N 3.35Å; V196-V199 PolarHBondContact O-N 3.21Å; V196-I205 HydrophobicContact CB-CD1 4.39Å; V196-I205 HydrophobicContact CG1-CD1 3.89Å; V196-I205 HydrophobicContact CG2-CD1 4.29Å; V196-M218 HydrophobicContact CG1-SD 4.34Å; V196-M218 HydrophobicContact CG2-SD 3.8Å; V196-G221 WeakPolarHBondContact CG1-O 3.38Å; V196-C222 HydrophobicContact CG1-CB 4.04Å
197	R	96.2	Very high	96.1	Very high	140 Å²	140	35.7 Å²	35.7	53%	0.528	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.7	-178.6	-71.8	175.6	75.2	76.1	10.5	114.7	H193 H194 L195 W223	H193-R197 VanDerWaalsContact O-CG 3.25Å; H193-R197 WeakPolarHBondContact O-CG 3.41Å; H193-R197 PolarHBondContact O-N 3.06Å; H194-R197 PolarHBondContact O-N 2.91Å; L195-R197 PolarHBondContact O-N 3.25Å; R197-W223 HydrophobicContact CB-CZ3 4.15Å; R197-W223 HydrophobicContact CG-CE3 4.4Å; R197-W223 HydrophobicContact CG-CH2 3.83Å; R197-W223 HydrophobicContact CG-CZ3 3.43Å; R197-W223 VanDerWaalsContact CG-CZ3 3.43Å
198	I	94.7	Very high	96.3	Very high	59 Å²	59	35 Å²	35	30%	0.303	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7	-176.5	64.5	166.2	0	0	0	113.2	V162 L195 V196	V162-I198 WeakPolarHBondContact O-CD1 3.45Å; L195-I198 HydrophobicContact CD1-CD1 3.97Å; L195-I198 HydrophobicContact CD1-CG1 4.2Å; L195-I198 WeakPolarHBondContact O-CG1 3.46Å; L195-I198 PolarHBondContact O-N 2.9Å; V196-I198 VanDerWaalsContact C-N 3.26Å; V196-I198 PolarHBondContact O-N 3.35Å
199	V	97.1	Very high	96.4	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.042	18%	0.18	C	C	.	.	S	Bend	trans	-69.9	127.2	174.4	-173.6	0	0	0	0	108.5	P166 L169 V196 I205 S224	P166-V199 HydrophobicContact CG-CG2 3.9Å; L169-V199 HydrophobicContact CB-CG2 4.17Å; L169-V199 HydrophobicContact CD2-CG2 3.77Å; V196-V199 PolarHBondContact O-N 3.21Å; V199-I205 HydrophobicContact CB-CD1 4.24Å; V199-I205 HydrophobicContact CB-CG1 4.41Å; V199-I205 HydrophobicContact CG1-CD1 4.48Å; V199-I205 HydrophobicContact CG1-CG1 4.14Å; V199-I205 HydrophobicContact CG2-CD1 3.95Å; V199-I205 HydrophobicContact CG2-CG1 4.11Å; V199-S224 WeakPolarHBondContact CB-OG 3.29Å; V199-S224 WeakPolarHBondContact CG1-OG 3.4Å; V199-S224 PolarHBondContact O-OG 3.03Å; V199-S224 VanDerWaalsContact O-OG 3.07Å
200	P	96.2	Very high	96.2	Very high	47 Å²	47	41.5 Å²	41.5	31%	0.305	21%	0.207	S	C	.	.			trans	-61.6	154.7	177.8	-23.6	34.4	0	0	0	112	P166 Q202 G203 S224	P166-P200 VanDerWaalsContact O-CD 3.3Å; P166-P200 WeakPolarHBondContact O-CD 3.46Å; P200-Q202 PolarHBondContact O-N 3.48Å; P200-Q202 VanDerWaalsContact O-N 3.13Å; P200-G203 WeakPolarHBondContact O-CA 3.08Å; P200-G203 PolarHBondContact O-N 2.96Å; P200-S224 PolarHBondContact O-OG 3.43Å; P200-S224 VanDerWaalsContact O-OG 3.06Å
201	G	96	Very high	96.2	Very high	48 Å²	48	36.9 Å²	36.9	50%	0.495	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.5	-179.6	0	0	0	0	0	115.3	W223	G201-W223 WeakPolarHBondContact CA-O 3.18Å
202	Q	93.1	Very high	96.2	Very high	140 Å²	140	40.9 Å²	40.9	65%	0.654	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	4.9	171.5	-68.1	179.3	-6.3	0	0	113.2	P200	P200-Q202 PolarHBondContact O-N 3.48Å; P200-Q202 VanDerWaalsContact O-N 3.13Å
203	G	96.8	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-80.4	171.3	167.2	0	0	0	0	0	110.4	R167 P200 E225	R167-G203 CarbonylContact O-C 3.52Å; R167-G203 WeakPolarHBondContact O-CA 3.33Å; P200-G203 WeakPolarHBondContact O-CA 3.08Å; P200-G203 PolarHBondContact O-N 2.96Å; G203-E225 PolarHBondContact O-N 3.27Å; G203-E225 VanDerWaalsContact O-N 3.12Å
204	R	97.8	Very high	96.3	Very high	44 Å²	44	42 Å²	42	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.3	-176	-167.8	166.4	-70	176.3	7.1	111.8	R167 T168 L169 I206 E225 E227 H281	R167-R204 PolarHBondContact O-N 3.38Å; T168-R204 WeakPolarHBondContact CA-O 3.34Å; L169-R204 PolarHBondContact N-O 2.92Å; R204-I206 HydrophobicContact CG-CG1 4.42Å; R204-E225 CarbonylContact C-O 3.57Å; R204-E225 WeakPolarHBondContact CA-O 2.97Å; R204-E225 HydrophobicContact CG-CB 4.49Å; R204-E225 IonicContact CZ-OE2 3.56Å; R204-E225 IonicContact NE-OE2 3.05Å; R204-E225 PolarHBondContact NE-OE2 3.38Å; R204-E225 IonicContact NH2-OE2 2.79Å; R204-E225 PolarHBondContact NH2-OE2 2.81Å; R204-E227 HydrophobicContact CG-CG 4.42Å; R204-E227 IonicContact CZ-OE1 2.69Å; R204-E227 IonicContact NE-OE1 2.76Å; R204-E227 IonicContact NH1-OE1 3.49Å; R204-E227 PolarHBondContact NH1-OE1 3.36Å; R204-H281 WeakPolarHBondContact CB-CE1 3.47Å; R204-H281 WeakPolarHBondContact CB-ND1 3.46Å
205	I	98.5	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121	176.8	-52.5	-177.7	0	0	0	108.7	L169 L171 V196 V199 M218 E225 Q226 E227	L169-I205 HydrophobicContact CB-CG1 4.26Å; L169-I205 HydrophobicContact CB-CG2 4.49Å; L169-I205 HydrophobicContact CD2-CD1 4.28Å; L169-I205 HydrophobicContact CD2-CG1 4.28Å; L169-I205 HydrophobicContact CD2-CG2 4.2Å; L169-I205 HydrophobicContact CG-CG2 4.35Å; L169-I205 CarbonylContact O-C 3.49Å; L169-I205 WeakPolarHBondContact O-CA 3.45Å; L171-I205 HydrophobicContact CD1-CG2 3.87Å; L171-I205 HydrophobicContact CG-CG2 4.14Å; V196-I205 HydrophobicContact CB-CD1 4.39Å; V196-I205 HydrophobicContact CG1-CD1 3.89Å; V196-I205 HydrophobicContact CG2-CD1 4.29Å; V199-I205 HydrophobicContact CB-CD1 4.24Å; V199-I205 HydrophobicContact CB-CG1 4.41Å; V199-I205 HydrophobicContact CG1-CD1 4.48Å; V199-I205 HydrophobicContact CG1-CG1 4.14Å; V199-I205 HydrophobicContact CG2-CD1 3.95Å; V199-I205 HydrophobicContact CG2-CG1 4.11Å; I205-M218 HydrophobicContact CB-CE 4.48Å; I205-M218 HydrophobicContact CD1-CE 4.19Å; I205-M218 HydrophobicContact CG2-CE 4.14Å; I205-E225 PolarHBondContact N-O 3.4Å; I205-Q226 WeakPolarHBondContact O-CA 3.38Å; I205-E227 PolarHBondContact O-N 3.01Å
206	I	98.5	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	-178.9	-59.4	159.9	0	0	0	107.9	T168 L169 I170 L171 R204 E227 V229 M274 A277 A278	T168-I206 HydrophobicContact CG2-CD1 4.11Å; L169-I206 PolarHBondContact O-N 3.49Å; I170-I206 WeakPolarHBondContact CA-O 3.43Å; L171-I206 PolarHBondContact N-O 3.46Å; R204-I206 HydrophobicContact CG-CG1 4.42Å; I206-E227 WeakPolarHBondContact CA-O 3.36Å; I206-E227 HydrophobicContact CG1-CB 4.3Å; I206-V229 HydrophobicContact CG2-CG2 3.59Å; I206-M274 HydrophobicContact CG2-SD 3.77Å; I206-A277 VanDerWaalsContact CD1-C 3.47Å; I206-A277 HydrophobicContact CD1-CB 3.95Å; I206-A277 HydrophobicContact CG1-CB 4.48Å; I206-A277 HydrophobicContact CG2-CB 3.91Å; I206-A278 HydrophobicContact CD1-CB 3.72Å; I206-A278 VanDerWaalsContact CD1-N 3.27Å
207	W	98.1	Very high	96.4	Very high	16 Å²	16	48.2 Å²	48.2	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.6	-173.5	65.5	-77.1	0	0	0	111.9	L171 L214 K215 M218 E227 L228 V229	L171-W207 HydrophobicContact CB-CB 3.94Å; L171-W207 HydrophobicContact CD1-CB 4.45Å; W207-L214 HydrophobicContact CB-CD1 4.44Å; W207-L214 HydrophobicContact CE3-CB 3.85Å; W207-L214 HydrophobicContact CZ3-CB 4.22Å; W207-K215 HydrophobicContact CH2-CB 4.38Å; W207-K215 HydrophobicContact CH2-CG 3.68Å; W207-K215 HydrophobicContact CZ3-CB 4.32Å; W207-K215 HydrophobicContact CZ3-CG 3.63Å; W207-M218 HydrophobicContact CD2-CG 4.2Å; W207-M218 HydrophobicContact CH2-CG 4.28Å; W207-M218 HydrophobicContact CZ2-CB 4.21Å; W207-M218 HydrophobicContact CZ2-CG 3.89Å; W207-E227 PolarHBondContact N-O 2.82Å; W207-L228 HydrophobicContact CD2-CD2 3.62Å; W207-L228 HydrophobicContact CE3-CD2 4.06Å; W207-L228 HydrophobicContact CG-CD2 4.19Å; W207-L228 HydrophobicContact CH2-CD2 3.85Å; W207-L228 HydrophobicContact CZ2-CD2 3.42Å; W207-L228 VanDerWaalsContact CZ2-CD2 3.42Å; W207-L228 HydrophobicContact CZ3-CD2 4.15Å; W207-L228 WeakPolarHBondContact O-CA 3.25Å; W207-V229 PolarHBondContact O-N 2.98Å
208	P	97.4	Very high	96.5	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.071	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135	-176.6	31.6	-37.2	0	0	0	110.6	L171 N172 N210 D211 L214 V229 M274	L171-P208 WeakPolarHBondContact O-CD 3.32Å; N172-P208 WeakPolarHBondContact O-CG 3.23Å; P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.11Å; P208-D211 HydrophobicContact CG-CB 3.7Å; P208-L214 HydrophobicContact CG-CD1 3.91Å; P208-V229 CarbonylContact C-O 3.42Å; P208-V229 VanDerWaalsContact CA-O 3.28Å; P208-V229 WeakPolarHBondContact CA-O 3.45Å; P208-M274 HydrophobicContact CB-CE 3.78Å; P208-M274 HydrophobicContact CG-CE 4.09Å
209	E	93.8	Very high	96.6	Very high	34 Å²	34	43.4 Å²	43.4	16%	0.159	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-36	-179.6	73.6	84	-178.4	0	0	111.5	D211 K215 L228 V229 Q232	E209-D211 VanDerWaalsContact C-N 3.31Å; E209-D211 PolarHBondContact O-N 3.45Å; E209-K215 WeakPolarHBondContact O-CE 3.39Å; E209-K215 PolarHBondContact O-NZ 2.97Å; E209-K215 IonicContact OE2-NZ 2.7Å; E209-K215 PolarHBondContact OE2-NZ 3.24Å; E209-L228 HydrophobicContact CB-CB 4.28Å; E209-L228 HydrophobicContact CB-CD1 4.27Å; E209-L228 HydrophobicContact CB-CD2 4.16Å; E209-L228 HydrophobicContact CB-CG 4.49Å; E209-V229 PolarHBondContact N-O 3.05Å; E209-Q232 HydrophobicContact CG-CB 4.29Å
210	N	92.2	Very high	96.6	Very high	115 Å²	115	47.5 Å²	47.5	62%	0.615	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.7	-172.4	63.1	-11.2	0	0	0	114.8	P208 I212	P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.11Å; N210-I212 PolarHBondContact O-N 2.77Å
211	D	95.2	Very high	96.6	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	26%	0.255	C	S	.	.			trans	-83.4	109.7	178.9	-171.3	-47.5	0	0	0	111.4	N173 L174 P208 E209 N213 L214 K215	N173-D211 WeakPolarHBondContact CA-OD2 3.35Å; L174-D211 PolarHBondContact N-OD2 3.28Å; P208-D211 HydrophobicContact CG-CB 3.7Å; E209-D211 VanDerWaalsContact C-N 3.31Å; E209-D211 PolarHBondContact O-N 3.45Å; D211-N213 VanDerWaalsContact C-N 3.32Å; D211-N213 PolarHBondContact O-N 2.8Å; D211-N213 WeakPolarHBondContact OD1-CA 3.09Å; D211-N213 WeakPolarHBondContact OD1-CB 3.25Å; D211-N213 PolarHBondContact OD1-N 2.75Å; D211-L214 HydrophobicContact CB-CB 4.05Å; D211-L214 HydrophobicContact CB-CD1 4.06Å; D211-L214 HydrophobicContact CB-CG 4.22Å; D211-L214 PolarHBondContact OD1-N 3.36Å; D211-K215 WeakPolarHBondContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.88Å
212	I	95.8	Very high	96.7	Very high	110 Å²	110	45.6 Å²	45.6	56%	0.564	24%	0.243	S	C	*	.	H	α-helix	trans	-65.7	-35.5	-178	-64.4	171.7	0	0	0	111.6	N210 K215 Q216	N210-I212 PolarHBondContact O-N 2.77Å; I212-K215 WeakPolarHBondContact O-CB 3.48Å; I212-K215 PolarHBondContact O-N 2.84Å; I212-Q216 VanDerWaalsContact O-CG 3.32Å; I212-Q216 WeakPolarHBondContact O-CG 3.41Å; I212-Q216 PolarHBondContact O-N 3.17Å
213	N	97.4	Very high	96.9	Very high	35 Å²	35	45.6 Å²	45.6	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-75.9	-36.4	-175	-62	-28.8	0	0	0	110.7	L174 L185 Q189 D211 T217	L174-N213 HydrophobicContact CB-CB 4.03Å; L174-N213 HydrophobicContact CD2-CB 4.21Å; L174-N213 HydrophobicContact CG-CB 4.09Å; L174-N213 VanDerWaalsContact O-CB 3.25Å; L174-N213 WeakPolarHBondContact O-CB 3.34Å; L174-N213 PolarHBondContact O-ND2 3.33Å; L185-N213 HydrophobicContact CD1-CB 4.44Å; L185-N213 WeakPolarHBondContact CD2-OD1 3.45Å; Q189-N213 PolarHBondContact NE2-O 3.43Å; D211-N213 VanDerWaalsContact C-N 3.32Å; D211-N213 PolarHBondContact O-N 2.8Å; D211-N213 WeakPolarHBondContact OD1-CA 3.09Å; D211-N213 WeakPolarHBondContact OD1-CB 3.25Å; D211-N213 PolarHBondContact OD1-N 2.75Å; N213-T217 WeakPolarHBondContact O-CB 3.46Å; N213-T217 PolarHBondContact O-N 2.7Å; N213-T217 PolarHBondContact O-OG1 3.01Å
214	L	97.5	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-42.1	168.8	-69.1	179	0	0	0	111.4	L171 L174 F192 W207 P208 D211 Q216 T217 M218	L171-L214 HydrophobicContact CB-CD1 3.87Å; L171-L214 HydrophobicContact CB-CD2 4Å; L171-L214 HydrophobicContact CD1-CD2 4.03Å; L174-L214 HydrophobicContact CB-CD2 3.65Å; L174-L214 HydrophobicContact CB-CG 3.76Å; L174-L214 HydrophobicContact CD2-CD2 4.09Å; F192-L214 HydrophobicContact CD1-CD2 4.25Å; W207-L214 HydrophobicContact CB-CD1 4.44Å; W207-L214 HydrophobicContact CE3-CB 3.85Å; W207-L214 HydrophobicContact CZ3-CB 4.22Å; P208-L214 HydrophobicContact CG-CD1 3.91Å; D211-L214 HydrophobicContact CB-CB 4.05Å; D211-L214 HydrophobicContact CB-CD1 4.06Å; D211-L214 HydrophobicContact CB-CG 4.22Å; D211-L214 PolarHBondContact OD1-N 3.36Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 2.96Å; L214-T217 WeakPolarHBondContact O-CB 3.38Å; L214-T217 PolarHBondContact O-N 2.95Å; L214-M218 VanDerWaalsContact O-CG 3.29Å; L214-M218 WeakPolarHBondContact O-CG 3.32Å; L214-M218 PolarHBondContact O-N 3.49Å
215	K	96.9	Very high	96.9	Very high	91 Å²	91	48.4 Å²	48.4	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-51.5	-48	171.8	-83.9	175.2	163.4	147.1	0	111.5	W207 E209 D211 I212 M218 A219	W207-K215 HydrophobicContact CH2-CB 4.38Å; W207-K215 HydrophobicContact CH2-CG 3.68Å; W207-K215 HydrophobicContact CZ3-CB 4.32Å; W207-K215 HydrophobicContact CZ3-CG 3.63Å; E209-K215 WeakPolarHBondContact O-CE 3.39Å; E209-K215 PolarHBondContact O-NZ 2.97Å; E209-K215 IonicContact OE2-NZ 2.7Å; E209-K215 PolarHBondContact OE2-NZ 3.24Å; D211-K215 WeakPolarHBondContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.88Å; I212-K215 WeakPolarHBondContact O-CB 3.48Å; I212-K215 PolarHBondContact O-N 2.84Å; K215-M218 PolarHBondContact O-N 3.26Å; K215-A219 WeakPolarHBondContact O-CB 3.42Å; K215-A219 PolarHBondContact O-N 3.29Å
216	Q	98	Very high	96.8	Very high	95 Å²	95	52.6 Å²	52.6	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.9	-72.5	172	6.5	0	0	112.4	I212 L214 A219 M220	I212-Q216 VanDerWaalsContact O-CG 3.32Å; I212-Q216 WeakPolarHBondContact O-CG 3.41Å; I212-Q216 PolarHBondContact O-N 3.17Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 2.96Å; Q216-A219 PolarHBondContact O-N 2.97Å; Q216-M220 PolarHBondContact O-N 3.39Å
217	T	97.5	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177.4	-57.4	0	0	0	0	111.8	L174 Q189 F192 H193 N213 L214 A219 M220	L174-T217 WeakPolarHBondContact CD2-OG1 3.47Å; Q189-T217 WeakPolarHBondContact CG-OG1 3.26Å; F192-T217 HydrophobicContact CB-CG2 3.89Å; H193-T217 HydrophobicContact CB-CG2 4.01Å; H193-T217 PolarHBondContact ND1-O 3.01Å; N213-T217 WeakPolarHBondContact O-CB 3.46Å; N213-T217 PolarHBondContact O-N 2.7Å; N213-T217 PolarHBondContact O-OG1 3.01Å; L214-T217 WeakPolarHBondContact O-CB 3.38Å; L214-T217 PolarHBondContact O-N 2.95Å; T217-A219 VanDerWaalsContact C-N 3.33Å; T217-M220 WeakPolarHBondContact O-CB 3.3Å; T217-M220 PolarHBondContact O-N 2.99Å
218	M	97.4	Very high	96.6	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-33.6	178	-63.7	-55.1	-76.3	0	0	111.8	L171 V196 I205 W207 L214 K215 M220 G221 C222 Q226	L171-M218 HydrophobicContact CD1-SD 4.21Å; V196-M218 HydrophobicContact CG1-SD 4.34Å; V196-M218 HydrophobicContact CG2-SD 3.8Å; I205-M218 HydrophobicContact CB-CE 4.48Å; I205-M218 HydrophobicContact CD1-CE 4.19Å; I205-M218 HydrophobicContact CG2-CE 4.14Å; W207-M218 HydrophobicContact CD2-CG 4.2Å; W207-M218 HydrophobicContact CH2-CG 4.28Å; W207-M218 HydrophobicContact CZ2-CB 4.21Å; W207-M218 HydrophobicContact CZ2-CG 3.89Å; L214-M218 VanDerWaalsContact O-CG 3.29Å; L214-M218 WeakPolarHBondContact O-CG 3.32Å; L214-M218 PolarHBondContact O-N 3.49Å; K215-M218 PolarHBondContact O-N 3.26Å; M218-M220 PolarHBondContact O-N 3.06Å; M218-G221 CarbonylContact O-C 3.49Å; M218-G221 PolarHBondContact O-N 2.93Å; M218-C222 HydrophobicContact CE-CB 3.64Å; M218-C222 WeakPolarHBondContact CE-SG 3.27Å; M218-Q226 HydrophobicContact CE-CG 4.01Å; M218-Q226 VanDerWaalsContact CE-OE1 3.31Å
219	A	96.9	Very high	96.6	Very high	86 Å²	86	54.9 Å²	54.9	71%	0.711	29%	0.285	S	S	*	.	H	α-helix	trans	-66.2	-19.5	175.5	0	0	0	0	0	113.7	K215 Q216 T217 G221	K215-A219 WeakPolarHBondContact O-CB 3.42Å; K215-A219 PolarHBondContact O-N 3.29Å; Q216-A219 PolarHBondContact O-N 2.97Å; T217-A219 VanDerWaalsContact C-N 3.33Å; A219-G221 PolarHBondContact O-N 2.84Å
220	M	97.5	Very high	96.5	Very high	94 Å²	94	54.3 Å²	54.3	46%	0.463	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.2	170.3	-60.7	167.6	65.4	0	0	112.4	H193 Q216 T217 M218	H193-M220 HydrophobicContact CB-CE 3.8Å; H193-M220 HydrophobicContact CB-SD 3.98Å; H193-M220 PolarHBondContact CE1-O 3.16Å; H193-M220 WeakPolarHBondContact ND1-CB 3.45Å; Q216-M220 PolarHBondContact O-N 3.39Å; T217-M220 WeakPolarHBondContact O-CB 3.3Å; T217-M220 PolarHBondContact O-N 2.99Å; M218-M220 PolarHBondContact O-N 3.06Å
221	G	96.7	Very high	96.3	Very high	20 Å²	20	56.6 Å²	56.6	21%	0.206	30%	0.295	C	S	.	.			trans	135.6	134.6	175.3	0	0	0	0	0	112.4	H193 V196 M218 A219 W223	H193-G221 PolarHBondContact CE1-O 3.07Å; H193-G221 PolarHBondContact ND1-O 2.93Å; V196-G221 WeakPolarHBondContact CG1-O 3.38Å; M218-G221 CarbonylContact O-C 3.49Å; M218-G221 PolarHBondContact O-N 2.93Å; A219-G221 PolarHBondContact O-N 2.84Å; G221-W223 WeakPolarHBondContact O-CZ3 3.41Å
222	C	97.1	Very high	96	Very high	34 Å²	34	63 Å²	63	23%	0.23	32%	0.324	C	S	.	.			trans	-139.4	131.7	172.1	177.3	0	0	0	0	109.4	V196 M218	V196-C222 HydrophobicContact CG1-CB 4.04Å; M218-C222 HydrophobicContact CE-CB 3.64Å; M218-C222 WeakPolarHBondContact CE-SG 3.27Å
223	W	97.4	Very high	95.8	Very high	141 Å²	141	58.1 Å²	58.1	53%	0.534	30%	0.301	S	S	.	.			trans	-112.2	-0	-177.3	-57.7	-91.1	0	0	0	113.2	R197 G201 G221	R197-W223 HydrophobicContact CB-CZ3 4.15Å; R197-W223 HydrophobicContact CG-CE3 4.4Å; R197-W223 HydrophobicContact CG-CH2 3.83Å; R197-W223 HydrophobicContact CG-CZ3 3.43Å; R197-W223 VanDerWaalsContact CG-CZ3 3.43Å; G201-W223 WeakPolarHBondContact CA-O 3.18Å; G221-W223 WeakPolarHBondContact O-CZ3 3.41Å
224	S	97.4	Very high	95.7	Very high	11 Å²	11	60.8 Å²	60.8	8%	0.077	31%	0.312	C	S	.	.	S	Bend	trans	-105.1	164.8	-178.3	-53	0	0	0	0	111.4	V199 P200	V199-S224 WeakPolarHBondContact CB-OG 3.29Å; V199-S224 WeakPolarHBondContact CG1-OG 3.4Å; V199-S224 PolarHBondContact O-OG 3.03Å; V199-S224 VanDerWaalsContact O-OG 3.07Å; P200-S224 PolarHBondContact O-OG 3.43Å; P200-S224 VanDerWaalsContact O-OG 3.06Å
225	E	97.1	Very high	95.7	Very high	92 Å²	92	60.8 Å²	60.8	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	147.5	170.1	-61.8	-178.4	178.8	0	0	110.7	G203 R204 I205	G203-E225 PolarHBondContact O-N 3.27Å; G203-E225 VanDerWaalsContact O-N 3.12Å; R204-E225 CarbonylContact C-O 3.57Å; R204-E225 WeakPolarHBondContact CA-O 2.97Å; R204-E225 HydrophobicContact CG-CB 4.49Å; R204-E225 IonicContact CZ-OE2 3.56Å; R204-E225 IonicContact NE-OE2 3.05Å; R204-E225 PolarHBondContact NE-OE2 3.38Å; R204-E225 IonicContact NH2-OE2 2.79Å; R204-E225 PolarHBondContact NH2-OE2 2.81Å; I205-E225 PolarHBondContact N-O 3.4Å
226	Q	96.6	Very high	95.8	Very high	87 Å²	87	58.7 Å²	58.7	41%	0.407	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.2	-176.9	-64.5	176.3	66.1	0	0	110.3	I205 M218	I205-Q226 WeakPolarHBondContact O-CA 3.38Å; M218-Q226 HydrophobicContact CE-CG 4.01Å; M218-Q226 VanDerWaalsContact CE-OE1 3.31Å
227	E	96.1	Very high	95.7	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	167.8	-76.6	-174.5	-178	0	0	109.4	R204 I205 I206 W207 W235 R280	R204-E227 HydrophobicContact CG-CG 4.42Å; R204-E227 IonicContact CZ-OE1 2.69Å; R204-E227 IonicContact NE-OE1 2.76Å; R204-E227 IonicContact NH1-OE1 3.49Å; R204-E227 PolarHBondContact NH1-OE1 3.36Å; I205-E227 PolarHBondContact O-N 3.01Å; I206-E227 WeakPolarHBondContact CA-O 3.36Å; I206-E227 HydrophobicContact CG1-CB 4.3Å; W207-E227 PolarHBondContact N-O 2.82Å; E227-W235 PolarHBondContact OE2-NE1 2.8Å; E227-R280 IonicContact OE1-NH1 2.7Å; E227-R280 PolarHBondContact OE1-NH1 3.39Å
228	L	97.3	Very high	95.7	Very high	52 Å²	52	60.9 Å²	60.9	27%	0.272	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.1	179.2	-73.1	177.9	0	0	0	111.4	W207 E209 G233 H234 W235	W207-L228 HydrophobicContact CD2-CD2 3.62Å; W207-L228 HydrophobicContact CE3-CD2 4.06Å; W207-L228 HydrophobicContact CG-CD2 4.19Å; W207-L228 HydrophobicContact CH2-CD2 3.85Å; W207-L228 HydrophobicContact CZ2-CD2 3.42Å; W207-L228 VanDerWaalsContact CZ2-CD2 3.42Å; W207-L228 HydrophobicContact CZ3-CD2 4.15Å; W207-L228 WeakPolarHBondContact O-CA 3.25Å; E209-L228 HydrophobicContact CB-CB 4.28Å; E209-L228 HydrophobicContact CB-CD1 4.27Å; E209-L228 HydrophobicContact CB-CD2 4.16Å; E209-L228 HydrophobicContact CB-CG 4.49Å; L228-G233 CarbonylContact O-C 3.28Å; L228-G233 WeakPolarHBondContact O-CA 3.41Å; L228-H234 PolarHBondContact O-N 3.35Å; L228-W235 PolarHBondContact O-N 2.97Å; L228-W235 VanDerWaalsContact O-N 3.17Å
229	V	96.9	Very high	95.6	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.6	174.8	-175.7	0	0	0	0	109.8	I206 W207 P208 E209 W235 L273 M274	I206-V229 HydrophobicContact CG2-CG2 3.59Å; W207-V229 PolarHBondContact O-N 2.98Å; P208-V229 CarbonylContact C-O 3.42Å; P208-V229 VanDerWaalsContact CA-O 3.28Å; P208-V229 WeakPolarHBondContact CA-O 3.45Å; E209-V229 PolarHBondContact N-O 3.05Å; V229-W235 CarbonylContact C-O 3.53Å; V229-W235 WeakPolarHBondContact CA-O 3.37Å; V229-W235 HydrophobicContact CB-CB 4.44Å; V229-W235 HydrophobicContact CG1-CB 4.33Å; V229-W235 HydrophobicContact CG2-CB 4.04Å; V229-L273 HydrophobicContact CG1-CB 4.45Å; V229-L273 HydrophobicContact CG1-CD2 3.31Å; V229-L273 HydrophobicContact CG1-CG 3.74Å; V229-M274 HydrophobicContact CB-CE 3.73Å; V229-M274 HydrophobicContact CB-SD 4.06Å; V229-M274 HydrophobicContact CG1-CE 4.03Å; V229-M274 HydrophobicContact CG1-SD 4.38Å; V229-M274 HydrophobicContact CG2-CE 3.96Å; V229-M274 HydrophobicContact CG2-SD 3.59Å; V229-M274 VanDerWaalsContact CG2-SD 3.59Å
230	G	92.6	Very high	95.6	Very high	21 Å²	21	63.8 Å²	63.8	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	130.4	-178.8	-178.7	0	0	0	0	0	111.9	Q232 G233 W235 Q236	G230-Q232 VanDerWaalsContact C-N 3.26Å; G230-Q232 PolarHBondContact O-N 3.07Å; G230-G233 WeakPolarHBondContact O-CA 3.48Å; G230-G233 PolarHBondContact O-N 2.93Å; G230-W235 PolarHBondContact N-O 2.91Å; G230-Q236 WeakPolarHBondContact O-CG 3.48Å
231	E	88.1	Confident	95.5	Very high	164 Å²	164	61.1 Å²	61.1	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.2	-173.5	-65.5	-175	171.7	0	0	113.4
232	Q	88.8	Confident	95	Very high	154 Å²	154	65.9 Å²	65.9	72%	0.72	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	3.6	176.3	-57.1	-59.9	-48.4	0	0	113	E209 G230	E209-Q232 HydrophobicContact CG-CB 4.29Å; G230-Q232 VanDerWaalsContact C-N 3.26Å; G230-Q232 PolarHBondContact O-N 3.07Å
233	G	90.7	Very high	94.8	Very high	8 Å²	8	65.8 Å²	65.8	8%	0.082	33%	0.328	C	S	.	.	S	Bend	trans	-88.3	169.8	178.4	0	0	0	0	0	112.8	L228 G230 W235 Q236	L228-G233 CarbonylContact O-C 3.28Å; L228-G233 WeakPolarHBondContact O-CA 3.41Å; G230-G233 WeakPolarHBondContact O-CA 3.48Å; G230-G233 PolarHBondContact O-N 2.93Å; G233-W235 VanDerWaalsContact C-N 3.29Å; G233-Q236 PolarHBondContact O-NE2 3.5Å
234	H	94.7	Very high	94.7	Very high	90 Å²	90	59.1 Å²	59.1	42%	0.417	30%	0.303	S	S	.	.	S	Bend	trans	-65.1	-38.4	170.8	-69.5	-69.8	0	0	0	110.8	L228 L251 D252	L228-H234 PolarHBondContact O-N 3.35Å; H234-L251 HydrophobicContact CB-CD1 4.21Å; H234-L251 CarbonylContact O-C 3.49Å; H234-L251 VanDerWaalsContact O-CA 3.28Å; H234-L251 WeakPolarHBondContact O-CA 3.4Å; H234-D252 IonicContact CE1-OD1 3.46Å; H234-D252 IonicContact CG-OD1 3.61Å; H234-D252 IonicContact ND1-OD1 3.65Å; H234-D252 PolarHBondContact ND1-OD1 3.15Å; H234-D252 PolarHBondContact O-N 3.2Å
235	W	98.1	Very high	94.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.3	-180	-69.7	102.3	0	0	0	111.3	E227 L228 V229 G230 G233 V249 L250 L251 V256 L273 I276 A277 R280 P286	E227-W235 PolarHBondContact OE2-NE1 2.8Å; L228-W235 PolarHBondContact O-N 2.97Å; L228-W235 VanDerWaalsContact O-N 3.17Å; V229-W235 CarbonylContact C-O 3.53Å; V229-W235 WeakPolarHBondContact CA-O 3.37Å; V229-W235 HydrophobicContact CB-CB 4.44Å; V229-W235 HydrophobicContact CG1-CB 4.33Å; V229-W235 HydrophobicContact CG2-CB 4.04Å; G230-W235 PolarHBondContact N-O 2.91Å; G233-W235 VanDerWaalsContact C-N 3.29Å; W235-V249 HydrophobicContact CE3-CG1 4.02Å; W235-V249 HydrophobicContact CZ3-CG1 3.79Å; W235-L250 WeakPolarHBondContact CA-O 3.44Å; W235-L251 HydrophobicContact CD2-CD1 3.93Å; W235-L251 HydrophobicContact CE3-CB 4.32Å; W235-L251 HydrophobicContact CE3-CD1 4.28Å; W235-L251 HydrophobicContact CG-CD1 4.41Å; W235-L251 HydrophobicContact CZ2-CD1 4.22Å; W235-L251 HydrophobicContact CZ3-CB 4.31Å; W235-V256 HydrophobicContact CZ3-CG2 4.13Å; W235-L273 HydrophobicContact CB-CD1 4.18Å; W235-L273 HydrophobicContact CB-CD2 4.39Å; W235-L273 HydrophobicContact CB-CG 4.28Å; W235-L273 HydrophobicContact CE3-CD1 4.12Å; W235-I276 HydrophobicContact CH2-CG2 4.1Å; W235-I276 HydrophobicContact CZ3-CG2 3.97Å; W235-A277 HydrophobicContact CD2-CB 3.94Å; W235-A277 HydrophobicContact CG-CB 3.99Å; W235-A277 HydrophobicContact CZ2-CB 3.98Å; W235-R280 HydrophobicContact CH2-CB 4.18Å; W235-R280 HydrophobicContact CH2-CG 4.47Å; W235-R280 HydrophobicContact CZ2-CB 3.97Å; W235-R280 HydrophobicContact CZ2-CG 4.27Å; W235-P286 HydrophobicContact CH2-CB 4.16Å; W235-P286 HydrophobicContact CH2-CG 3.88Å; W235-P286 HydrophobicContact CZ3-CB 4.27Å; W235-P286 HydrophobicContact CZ3-CG 4.39Å
236	Q	98.1	Very high	94.6	Very high	47 Å²	47	58.3 Å²	58.3	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.6	178.1	-54.6	139.1	14.5	0	0	110.1	G230 G233 L250 L273	G230-Q236 WeakPolarHBondContact O-CG 3.48Å; G233-Q236 PolarHBondContact O-NE2 3.5Å; Q236-L250 HydrophobicContact CB-CB 4.17Å; Q236-L250 PolarHBondContact N-O 3.42Å; Q236-L250 PolarHBondContact O-N 2.83Å; Q236-L273 VanDerWaalsContact C-CD2 3.49Å
237	A	97.2	Very high	94.7	Very high	29 Å²	29	54.2 Å²	54.2	24%	0.24	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	170	0	0	0	0	0	108.9	W247 E248 M269 L273	A237-W247 HydrophobicContact CB-CE3 3.68Å; A237-W247 HydrophobicContact CB-CZ3 3.89Å; A237-E248 WeakPolarHBondContact CA-O 3.47Å; A237-M269 HydrophobicContact CB-CE 4.01Å; A237-M269 HydrophobicContact CB-CG 3.81Å; A237-M269 HydrophobicContact CB-SD 3.88Å; A237-L273 HydrophobicContact CB-CD2 3.79Å
238	K	97.2	Very high	94.8	Very high	112 Å²	112	54.8 Å²	54.8	49%	0.487	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.7	174.6	178.2	176.5	157.5	-138.8	0	109.8	W247 E248 L250	K238-W247 CarbonylContact O-C 3.49Å; K238-W247 VanDerWaalsContact O-CA 3.28Å; K238-W247 WeakPolarHBondContact O-CA 3.33Å; K238-W247 WeakPolarHBondContact O-CB 3.28Å; K238-E248 HydrophobicContact CB-CB 4.3Å; K238-E248 WeakPolarHBondContact CD-OE2 3.44Å; K238-E248 PolarHBondContact N-O 3.24Å; K238-E248 IonicContact NZ-OE2 3.09Å; K238-E248 PolarHBondContact NZ-OE2 3.38Å; K238-E248 PolarHBondContact O-N 3.47Å; K238-L250 HydrophobicContact CB-CD1 3.77Å
239	K	95.4	Very high	94.9	Very high	81 Å²	81	52.3 Å²	52.3	35%	0.352	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.7	-179.8	-172.3	173.9	73.4	174.8	0	111.8	T241 T242 A244 E266 M269	K239-T241 WeakPolarHBondContact CD-O 3.45Å; K239-T241 WeakPolarHBondContact CG-O 3.24Å; K239-T242 PolarHBondContact NZ-O 3.38Å; K239-A244 HydrophobicContact CD-CB 3.8Å; K239-A244 HydrophobicContact CG-CB 4.11Å; K239-E266 HydrophobicContact CD-CG 4.15Å; K239-E266 IonicContact NZ-OE1 3.65Å; K239-E266 PolarHBondContact NZ-OE1 3.35Å; K239-M269 HydrophobicContact CB-SD 4.03Å; K239-M269 HydrophobicContact CG-SD 4.49Å
240	L	96.9	Very high	95	Very high	79 Å²	79	53.3 Å²	53.3	41%	0.414	28%	0.276	S	S	.	.			trans	-106.2	-29	178	-59.8	177	0	0	0	113	E246 E248	L240-E246 HydrophobicContact CB-CB 4.21Å; L240-E246 WeakPolarHBondContact CB-O 3.5Å; L240-E246 PolarHBondContact N-O 3.4Å; L240-E248 HydrophobicContact CD1-CG 3.93Å; L240-E248 HydrophobicContact CD2-CG 4.07Å; L240-E248 HydrophobicContact CG-CG 4.18Å
241	T	94.1	Very high	95.2	Very high	38 Å²	38	53.2 Å²	53.2	23%	0.233	27%	0.27	C	S	.	.	S	Bend	trans	-115.6	158	177.7	58.5	0	0	0	0	112.1	K239 D243 A244 S245 E246	K239-T241 WeakPolarHBondContact CD-O 3.45Å; K239-T241 WeakPolarHBondContact CG-O 3.24Å; T241-D243 VanDerWaalsContact C-N 3.28Å; T241-D243 VanDerWaalsContact CB-OD1 3.26Å; T241-D243 WeakPolarHBondContact CB-OD1 3.3Å; T241-D243 PolarHBondContact O-N 3.17Å; T241-D243 PolarHBondContact OG1-OD1 2.88Å; T241-A244 PolarHBondContact O-N 3.33Å; T241-A244 PolarHBondContact OG1-N 3.35Å; T241-S245 PolarHBondContact OG1-N 3.22Å; T241-S245 VanDerWaalsContact OG1-N 3.1Å; T241-S245 PolarHBondContact OG1-OG 2.94Å; T241-E246 HydrophobicContact CG2-CB 3.93Å; T241-E246 HydrophobicContact CG2-CG 4.09Å; T241-E246 PolarHBondContact N-O 2.89Å; T241-E246 PolarHBondContact OG1-N 3.34Å; T241-E246 VanDerWaalsContact OG1-N 3.17Å
242	T	88.1	Confident	95.6	Very high	120 Å²	120	50.5 Å²	50.5	74%	0.736	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-35.8	-178.6	44.2	0	0	0	0	113.3	K239	K239-T242 PolarHBondContact NZ-O 3.38Å
243	D	91.8	Very high	95.8	Very high	32 Å²	32	45.3 Å²	45.3	17%	0.171	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.1	-179.2	68	-13.8	0	0	0	114	T241 S245 V264 G265	T241-D243 VanDerWaalsContact C-N 3.28Å; T241-D243 VanDerWaalsContact CB-OD1 3.26Å; T241-D243 WeakPolarHBondContact CB-OD1 3.3Å; T241-D243 PolarHBondContact O-N 3.17Å; T241-D243 PolarHBondContact OG1-OD1 2.88Å; D243-S245 VanDerWaalsContact CG-OG 3.27Å; D243-S245 PolarHBondContact O-N 2.96Å; D243-S245 WeakPolarHBondContact OD1-CB 3.19Å; D243-S245 PolarHBondContact OD1-N 3.39Å; D243-S245 PolarHBondContact OD1-OG 3.28Å; D243-S245 WeakPolarHBondContact OD2-CB 3.5Å; D243-S245 PolarHBondContact OD2-OG 3.19Å; D243-S245 VanDerWaalsContact OD2-OG 3.14Å; D243-V264 HydrophobicContact CB-CB 4.38Å; D243-V264 HydrophobicContact CB-CG1 4.07Å; D243-V264 CarbonylContact O-C 3.48Å; D243-V264 WeakPolarHBondContact O-CA 3.25Å; D243-G265 PolarHBondContact O-N 3.18Å
244	A	95.3	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	59.4	27.6	-175.7	0	0	0	0	0	115.1	K239 T241 E246 W261 E266 M269	K239-A244 HydrophobicContact CD-CB 3.8Å; K239-A244 HydrophobicContact CG-CB 4.11Å; T241-A244 PolarHBondContact O-N 3.33Å; T241-A244 PolarHBondContact OG1-N 3.35Å; A244-E246 VanDerWaalsContact C-N 3.32Å; A244-W261 PolarHBondContact O-NE1 3Å; A244-W261 VanDerWaalsContact O-NE1 3.08Å; A244-E266 HydrophobicContact CB-CG 4.3Å; A244-M269 HydrophobicContact CB-CB 4.25Å; A244-M269 HydrophobicContact CB-SD 4.35Å
245	S	95.4	Very high	96.3	Very high	21 Å²	21	52.3 Å²	52.3	15%	0.147	28%	0.278	C	S	.	.	S	Bend	trans	-72.2	-24.2	169.5	56.5	0	0	0	0	113.4	T241 D243 W261 L263	T241-S245 PolarHBondContact OG1-N 3.22Å; T241-S245 VanDerWaalsContact OG1-N 3.1Å; T241-S245 PolarHBondContact OG1-OG 2.94Å; D243-S245 VanDerWaalsContact CG-OG 3.27Å; D243-S245 PolarHBondContact O-N 2.96Å; D243-S245 WeakPolarHBondContact OD1-CB 3.19Å; D243-S245 PolarHBondContact OD1-N 3.39Å; D243-S245 PolarHBondContact OD1-OG 3.28Å; D243-S245 WeakPolarHBondContact OD2-CB 3.5Å; D243-S245 PolarHBondContact OD2-OG 3.19Å; D243-S245 VanDerWaalsContact OD2-OG 3.14Å; S245-W261 PolarHBondContact O-N 2.96Å; S245-W261 VanDerWaalsContact O-N 3.09Å; S245-L263 WeakPolarHBondContact CA-O 3.5Å
246	E	98.1	Very high	96.3	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.4	173.1	-55	-171.7	-152.2	0	0	111.8	L240 T241 A244 V259 K260	L240-E246 HydrophobicContact CB-CB 4.21Å; L240-E246 WeakPolarHBondContact CB-O 3.5Å; L240-E246 PolarHBondContact N-O 3.4Å; T241-E246 HydrophobicContact CG2-CB 3.93Å; T241-E246 HydrophobicContact CG2-CG 4.09Å; T241-E246 PolarHBondContact N-O 2.89Å; T241-E246 PolarHBondContact OG1-N 3.34Å; T241-E246 VanDerWaalsContact OG1-N 3.17Å; A244-E246 VanDerWaalsContact C-N 3.32Å; E246-V259 WeakPolarHBondContact CA-O 3.28Å; E246-K260 HydrophobicContact CB-CG 4.48Å; E246-K260 HydrophobicContact CG-CB 4.28Å; E246-K260 HydrophobicContact CG-CG 3.99Å; E246-K260 IonicContact OE2-NZ 3.29Å; E246-K260 PolarHBondContact OE2-NZ 2.93Å
247	W	98.3	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	152.3	-178.3	54.8	-83.8	0	0	0	113.5	A237 K238 V249 E258 V259 W261 M269 L273 I276	A237-W247 HydrophobicContact CB-CE3 3.68Å; A237-W247 HydrophobicContact CB-CZ3 3.89Å; K238-W247 CarbonylContact O-C 3.49Å; K238-W247 VanDerWaalsContact O-CA 3.28Å; K238-W247 WeakPolarHBondContact O-CA 3.33Å; K238-W247 WeakPolarHBondContact O-CB 3.28Å; W247-V249 HydrophobicContact CE3-CG2 4.16Å; W247-V249 HydrophobicContact CH2-CG2 4.21Å; W247-V249 HydrophobicContact CZ3-CG2 3.62Å; W247-E258 WeakPolarHBondContact O-CA 3.45Å; W247-V259 HydrophobicContact CD2-CB 3.99Å; W247-V259 HydrophobicContact CD2-CG2 4.26Å; W247-V259 HydrophobicContact CE3-CG2 4.49Å; W247-V259 HydrophobicContact CG-CB 4.37Å; W247-V259 HydrophobicContact CH2-CB 4.48Å; W247-V259 HydrophobicContact CH2-CG2 3.82Å; W247-V259 HydrophobicContact CZ2-CB 3.8Å; W247-V259 HydrophobicContact CZ2-CG1 4.01Å; W247-V259 HydrophobicContact CZ2-CG2 3.53Å; W247-V259 HydrophobicContact CZ3-CG2 4.3Å; W247-V259 PolarHBondContact N-O 3.23Å; W247-V259 PolarHBondContact O-N 3Å; W247-W261 AromaticContact CZ2-CH2 3.96Å; W247-W261 HydrophobicContact CZ2-CH2 3.96Å; W247-W261 HydrophobicContact CZ2-CZ2 4.27Å; W247-W261 AromaticContact NE1-CE2 3.61Å; W247-W261 AromaticContact NE1-CH2 3.91Å; W247-W261 AromaticContact NE1-CZ2 3.34Å; W247-W261 VanDerWaalsContact NE1-CZ2 3.34Å; W247-W261 AromaticContact NE1-NE1 3.93Å; W247-M269 HydrophobicContact CB-CG 4.24Å; W247-M269 HydrophobicContact CB-SD 3.78Å; W247-M269 HydrophobicContact CD2-CB 4.47Å; W247-M269 HydrophobicContact CD2-CG 3.51Å; W247-M269 HydrophobicContact CD2-SD 4.23Å; W247-M269 HydrophobicContact CE3-CG 3.92Å; W247-M269 HydrophobicContact CG-CG 3.65Å; W247-M269 HydrophobicContact CG-SD 3.86Å; W247-M269 HydrophobicContact CZ2-CG 4.26Å; W247-M269 HydrophobicContact CZ3-CG 4.43Å; W247-L273 HydrophobicContact CH2-CB 4.11Å; W247-L273 HydrophobicContact CZ3-CB 4.18Å; W247-L273 HydrophobicContact CZ3-CD1 4.26Å; W247-I276 HydrophobicContact CH2-CD1 3.87Å; W247-I276 HydrophobicContact CZ3-CD1 4.49Å
248	E	98.5	Very high	96.3	Very high	31 Å²	31	54 Å²	54	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.9	177.7	-53.3	-176.6	121	0	0	111.2	A237 K238 L240 L250 K255	A237-E248 WeakPolarHBondContact CA-O 3.47Å; K238-E248 HydrophobicContact CB-CB 4.3Å; K238-E248 WeakPolarHBondContact CD-OE2 3.44Å; K238-E248 PolarHBondContact N-O 3.24Å; K238-E248 IonicContact NZ-OE2 3.09Å; K238-E248 PolarHBondContact NZ-OE2 3.38Å; K238-E248 PolarHBondContact O-N 3.47Å; L240-E248 HydrophobicContact CD1-CG 3.93Å; L240-E248 HydrophobicContact CD2-CG 4.07Å; L240-E248 HydrophobicContact CG-CG 4.18Å; E248-L250 HydrophobicContact CB-CD1 4.06Å; E248-K255 HydrophobicContact CG-CD 4.45Å; E248-K255 WeakPolarHBondContact OE1-CD 3.42Å; E248-K255 WeakPolarHBondContact OE1-CE 3.18Å; E248-K255 IonicContact OE1-NZ 3.97Å; E248-K255 PolarHBondContact OE1-NZ 3.34Å
249	V	98.6	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.8	173	-173.1	0	0	0	0	108.2	W235 W247 V256 G257 V259 L273 I276 A290	W235-V249 HydrophobicContact CE3-CG1 4.02Å; W235-V249 HydrophobicContact CZ3-CG1 3.79Å; W247-V249 HydrophobicContact CE3-CG2 4.16Å; W247-V249 HydrophobicContact CH2-CG2 4.21Å; W247-V249 HydrophobicContact CZ3-CG2 3.62Å; V249-V256 HydrophobicContact CB-CG2 4.27Å; V249-V256 HydrophobicContact CG1-CG2 3.84Å; V249-V256 PolarHBondContact O-N 3.17Å; V249-G257 PolarHBondContact N-O 2.97Å; V249-G257 PolarHBondContact O-N 3.28Å; V249-V259 HydrophobicContact CG2-CG2 4.17Å; V249-L273 HydrophobicContact CG1-CD1 3.88Å; V249-I276 HydrophobicContact CG1-CD1 4.49Å; V249-I276 HydrophobicContact CG1-CG2 4.21Å; V249-I276 HydrophobicContact CG2-CD1 3.66Å; V249-A290 HydrophobicContact CG2-CB 4.14Å
250	L	98.4	Very high	96.5	Very high	26 Å²	26	50 Å²	50	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141	176.9	-57.1	79.7	0	0	0	110.3	W235 Q236 K238 E248 E254	W235-L250 WeakPolarHBondContact CA-O 3.44Å; Q236-L250 HydrophobicContact CB-CB 4.17Å; Q236-L250 PolarHBondContact N-O 3.42Å; Q236-L250 PolarHBondContact O-N 2.83Å; K238-L250 HydrophobicContact CB-CD1 3.77Å; E248-L250 HydrophobicContact CB-CD1 4.06Å; L250-E254 CarbonylContact C-O 3.48Å; L250-E254 VanDerWaalsContact CA-O 3.22Å; L250-E254 WeakPolarHBondContact CA-O 3.22Å
251	L	97.8	Very high	96.5	Very high	20 Å²	20	47 Å²	47	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.7	171.3	177.4	63.9	0	0	0	108	H234 W235 G253 E254 V256	H234-L251 HydrophobicContact CB-CD1 4.21Å; H234-L251 CarbonylContact O-C 3.49Å; H234-L251 VanDerWaalsContact O-CA 3.28Å; H234-L251 WeakPolarHBondContact O-CA 3.4Å; W235-L251 HydrophobicContact CD2-CD1 3.93Å; W235-L251 HydrophobicContact CE3-CB 4.32Å; W235-L251 HydrophobicContact CE3-CD1 4.28Å; W235-L251 HydrophobicContact CG-CD1 4.41Å; W235-L251 HydrophobicContact CZ2-CD1 4.22Å; W235-L251 HydrophobicContact CZ3-CB 4.31Å; L251-G253 PolarHBondContact O-N 3.3Å; L251-E254 PolarHBondContact N-O 3.36Å; L251-E254 PolarHBondContact O-N 2.86Å; L251-V256 HydrophobicContact CB-CG1 3.85Å; L251-V256 HydrophobicContact CB-CG2 3.89Å
252	D	95.4	Very high	96.3	Very high	107 Å²	107	50.2 Å²	50.2	57%	0.572	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	33.5	-176.4	-59.7	-48.5	0	0	0	113.1	H234 E254	H234-D252 IonicContact CE1-OD1 3.46Å; H234-D252 IonicContact CG-OD1 3.61Å; H234-D252 IonicContact ND1-OD1 3.65Å; H234-D252 PolarHBondContact ND1-OD1 3.15Å; H234-D252 PolarHBondContact O-N 3.2Å; D252-E254 VanDerWaalsContact C-N 3.29Å; D252-E254 PolarHBondContact O-N 3.35Å
253	G	93.7	Very high	96.6	Very high	44 Å²	44	45 Å²	45	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-6.4	-178.1	0	0	0	0	0	115.4	L251	L251-G253 PolarHBondContact O-N 3.3Å
254	E	97.1	Very high	96.6	Very high	144 Å²	144	44.2 Å²	44.2	67%	0.673	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	136.2	177.2	-70	-72.4	167.7	0	0	110.9	L250 L251 D252 V256	L250-E254 CarbonylContact C-O 3.48Å; L250-E254 VanDerWaalsContact CA-O 3.22Å; L250-E254 WeakPolarHBondContact CA-O 3.22Å; L251-E254 PolarHBondContact N-O 3.36Å; L251-E254 PolarHBondContact O-N 2.86Å; D252-E254 VanDerWaalsContact C-N 3.29Å; D252-E254 PolarHBondContact O-N 3.35Å; E254-V256 PolarHBondContact O-N 3.17Å
255	K	98	Very high	96.5	Very high	101 Å²	101	44.5 Å²	44.5	44%	0.439	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120	176.7	-179.9	179.2	-179.9	166.5	0	110.2	E248 E258	E248-K255 HydrophobicContact CG-CD 4.45Å; E248-K255 WeakPolarHBondContact OE1-CD 3.42Å; E248-K255 WeakPolarHBondContact OE1-CE 3.18Å; E248-K255 IonicContact OE1-NZ 3.97Å; E248-K255 PolarHBondContact OE1-NZ 3.34Å; K255-E258 IonicContact NZ-OE2 2.82Å; K255-E258 PolarHBondContact NZ-OE2 3.23Å
256	V	98.3	Very high	96.4	Very high	45 Å²	45	47.9 Å²	47.9	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-7	-179.5	-64.3	0	0	0	0	114	W235 V249 L251 E254 P286 A287	W235-V256 HydrophobicContact CZ3-CG2 4.13Å; V249-V256 HydrophobicContact CB-CG2 4.27Å; V249-V256 HydrophobicContact CG1-CG2 3.84Å; V249-V256 PolarHBondContact O-N 3.17Å; L251-V256 HydrophobicContact CB-CG1 3.85Å; L251-V256 HydrophobicContact CB-CG2 3.89Å; E254-V256 PolarHBondContact O-N 3.17Å; V256-P286 HydrophobicContact CB-CB 3.96Å; V256-P286 HydrophobicContact CB-CG 4.35Å; V256-P286 HydrophobicContact CG2-CB 3.66Å; V256-P286 HydrophobicContact CG2-CG 4.21Å; V256-A287 PolarHBondContact O-N 3.19Å
257	G	97.9	Very high	96.2	Very high	9 Å²	9	47.8 Å²	47.8	9%	0.093	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	173.4	177.7	0	0	0	0	0	112.5	V249	V249-G257 PolarHBondContact N-O 2.97Å; V249-G257 PolarHBondContact O-N 3.28Å
258	E	98.5	Very high	96	Very high	57 Å²	57	48.2 Å²	48.2	27%	0.266	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133	175.5	-174.8	174.9	146.9	0	0	108.3	W247 K255 K260 A290	W247-E258 WeakPolarHBondContact O-CA 3.45Å; K255-E258 IonicContact NZ-OE2 2.82Å; K255-E258 PolarHBondContact NZ-OE2 3.23Å; E258-K260 WeakPolarHBondContact OE1-CE 3.33Å; E258-K260 IonicContact OE1-NZ 3.61Å; E258-K260 PolarHBondContact OE1-NZ 2.88Å; E258-A290 WeakPolarHBondContact O-CB 3.48Å
259	V	98.6	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.8	179.6	178	0	0	0	0	108.6	E246 W247 V249 W261 I276 A290 L293	E246-V259 WeakPolarHBondContact CA-O 3.28Å; W247-V259 HydrophobicContact CD2-CB 3.99Å; W247-V259 HydrophobicContact CD2-CG2 4.26Å; W247-V259 HydrophobicContact CE3-CG2 4.49Å; W247-V259 HydrophobicContact CG-CB 4.37Å; W247-V259 HydrophobicContact CH2-CB 4.48Å; W247-V259 HydrophobicContact CH2-CG2 3.82Å; W247-V259 HydrophobicContact CZ2-CB 3.8Å; W247-V259 HydrophobicContact CZ2-CG1 4.01Å; W247-V259 HydrophobicContact CZ2-CG2 3.53Å; W247-V259 HydrophobicContact CZ3-CG2 4.3Å; W247-V259 PolarHBondContact N-O 3.23Å; W247-V259 PolarHBondContact O-N 3Å; V249-V259 HydrophobicContact CG2-CG2 4.17Å; V259-W261 HydrophobicContact CG1-CB 4.43Å; V259-W261 HydrophobicContact CG1-CD2 3.77Å; V259-W261 HydrophobicContact CG1-CE3 3.81Å; V259-W261 HydrophobicContact CG1-CG 4.08Å; V259-W261 HydrophobicContact CG1-CZ3 4.26Å; V259-I276 HydrophobicContact CG2-CD1 4.03Å; V259-A290 HydrophobicContact CG2-CB 3.73Å; V259-L293 HydrophobicContact CG1-CB 4.06Å; V259-L293 HydrophobicContact CG2-CD1 4.35Å
260	K	98.1	Very high	95.8	Very high	110 Å²	110	51.4 Å²	51.4	48%	0.478	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111	169.7	-56.4	-173.8	-171.9	-110.1	0	108.4	E246 E258 G294	E246-K260 HydrophobicContact CB-CG 4.48Å; E246-K260 HydrophobicContact CG-CB 4.28Å; E246-K260 HydrophobicContact CG-CG 3.99Å; E246-K260 IonicContact OE2-NZ 3.29Å; E246-K260 PolarHBondContact OE2-NZ 2.93Å; E258-K260 WeakPolarHBondContact OE1-CE 3.33Å; E258-K260 IonicContact OE1-NZ 3.61Å; E258-K260 PolarHBondContact OE1-NZ 2.88Å; K260-G294 WeakPolarHBondContact O-CA 3.35Å
261	W	96.5	Very high	95.7	Very high	16 Å²	16	50.8 Å²	50.8	6%	0.061	27%	0.269	C	S	.	.			trans	-136.9	174.6	-175.2	59.2	12	0	0	0	111.9	M108 A244 S245 W247 V259 L263 N268 L293	M108-W261 HydrophobicContact CE-CE3 4.26Å; M108-W261 HydrophobicContact CE-CH2 3.57Å; M108-W261 HydrophobicContact CE-CZ3 3.32Å; M108-W261 HydrophobicContact SD-CH2 4.36Å; M108-W261 HydrophobicContact SD-CZ3 4.07Å; A244-W261 PolarHBondContact O-NE1 3Å; A244-W261 VanDerWaalsContact O-NE1 3.08Å; S245-W261 PolarHBondContact O-N 2.96Å; S245-W261 VanDerWaalsContact O-N 3.09Å; W247-W261 AromaticContact CZ2-CH2 3.96Å; W247-W261 HydrophobicContact CZ2-CH2 3.96Å; W247-W261 HydrophobicContact CZ2-CZ2 4.27Å; W247-W261 AromaticContact NE1-CE2 3.61Å; W247-W261 AromaticContact NE1-CH2 3.91Å; W247-W261 AromaticContact NE1-CZ2 3.34Å; W247-W261 VanDerWaalsContact NE1-CZ2 3.34Å; W247-W261 AromaticContact NE1-NE1 3.93Å; V259-W261 HydrophobicContact CG1-CB 4.43Å; V259-W261 HydrophobicContact CG1-CD2 3.77Å; V259-W261 HydrophobicContact CG1-CE3 3.81Å; V259-W261 HydrophobicContact CG1-CG 4.08Å; V259-W261 HydrophobicContact CG1-CZ3 4.26Å; W261-L263 VanDerWaalsContact C-N 3.35Å; W261-L263 HydrophobicContact CB-CD1 4.38Å; W261-L263 HydrophobicContact CD2-CB 3.9Å; W261-L263 HydrophobicContact CD2-CD1 4.34Å; W261-L263 HydrophobicContact CE3-CB 4.49Å; W261-L263 HydrophobicContact CE3-CD1 4.39Å; W261-L263 HydrophobicContact CE3-CD2 4.48Å; W261-L263 HydrophobicContact CG-CB 4.02Å; W261-L263 HydrophobicContact CG-CD1 4.33Å; W261-L263 HydrophobicContact CZ2-CB 4.45Å; W261-L263 PolarHBondContact NE1-O 3.44Å; W261-N268 HydrophobicContact CH2-CB 4.31Å; W261-N268 VanDerWaalsContact CH2-O 3.23Å; W261-N268 WeakPolarHBondContact CH2-O 3.43Å; W261-N268 HydrophobicContact CZ2-CB 4.08Å; W261-L293 HydrophobicContact CE3-CB 4.09Å; W261-L293 HydrophobicContact CZ3-CB 4.27Å; W261-L293 HydrophobicContact CZ3-CD1 4.06Å
262	S	90.7	Very high	95.7	Very high	105 Å²	105	49.8 Å²	49.8	73%	0.734	26%	0.264	S	S	*	.	S	Bend	trans	-89.4	2	174.8	61.4	0	0	0	0	114
263	L	92.8	Very high	95.9	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.058	24%	0.238	C	C	.	.			trans	-80.8	156.2	177.9	-76.2	75.7	0	0	0	110.4	M108 S245 W261 N268 F296 N298	M108-L263 HydrophobicContact CE-CD2 3.67Å; S245-L263 WeakPolarHBondContact CA-O 3.5Å; W261-L263 VanDerWaalsContact C-N 3.35Å; W261-L263 HydrophobicContact CB-CD1 4.38Å; W261-L263 HydrophobicContact CD2-CB 3.9Å; W261-L263 HydrophobicContact CD2-CD1 4.34Å; W261-L263 HydrophobicContact CE3-CB 4.49Å; W261-L263 HydrophobicContact CE3-CD1 4.39Å; W261-L263 HydrophobicContact CE3-CD2 4.48Å; W261-L263 HydrophobicContact CG-CB 4.02Å; W261-L263 HydrophobicContact CG-CD1 4.33Å; W261-L263 HydrophobicContact CZ2-CB 4.45Å; W261-L263 PolarHBondContact NE1-O 3.44Å; L263-N268 HydrophobicContact CB-CB 4.48Å; L263-N268 HydrophobicContact CD2-CB 4.25Å; L263-F296 HydrophobicContact CD1-CD1 3.97Å; L263-F296 WeakPolarHBondContact CD1-O 3.16Å; L263-F296 HydrophobicContact CD2-CD1 3.76Å; L263-F296 HydrophobicContact CD2-CE1 3.9Å; L263-N298 HydrophobicContact CD2-CB 4.37Å
264	V	92.2	Very high	96.1	Very high	15 Å²	15	43 Å²	43	9%	0.091	22%	0.218	C	C	.	.			trans	-127.8	154.8	178.5	-64.8	0	0	0	0	111.1	D243 N268 L303 A331 K335	D243-V264 HydrophobicContact CB-CB 4.38Å; D243-V264 HydrophobicContact CB-CG1 4.07Å; D243-V264 CarbonylContact O-C 3.48Å; D243-V264 WeakPolarHBondContact O-CA 3.25Å; V264-N268 PolarHBondContact O-ND2 2.89Å; V264-L303 HydrophobicContact CG2-CD2 3.55Å; V264-A331 HydrophobicContact CG2-CB 4.07Å; V264-K335 HydrophobicContact CG1-CB 4.23Å; V264-K335 HydrophobicContact CG1-CG 4.38Å
265	G	92.9	Very high	96.2	Very high	6 Å²	6	36.1 Å²	36.1	6%	0.062	19%	0.185	C	C	.	.	S	Bend	trans	97.5	138.4	176.3	0	0	0	0	0	114.2	D243 H267 N268 M269	D243-G265 PolarHBondContact O-N 3.18Å; G265-H267 PolarHBondContact O-N 3.07Å; G265-N268 PolarHBondContact O-N 3.03Å; G265-M269 PolarHBondContact O-N 2.8Å
266	E	94.1	Very high	96.2	Very high	93 Å²	93	31.3 Å²	31.3	44%	0.435	17%	0.165	S	C	.	.	H	α-helix	trans	-61.3	-29.9	177.8	-68.2	-179.8	-175.7	0	0	112.9	K239 A244 N268 M269 H270	K239-E266 HydrophobicContact CD-CG 4.15Å; K239-E266 IonicContact NZ-OE1 3.65Å; K239-E266 PolarHBondContact NZ-OE1 3.35Å; A244-E266 HydrophobicContact CB-CG 4.3Å; E266-N268 VanDerWaalsContact C-N 3.26Å; E266-N268 PolarHBondContact O-N 3.3Å; E266-M269 HydrophobicContact CB-CE 4.42Å; E266-M269 HydrophobicContact CG-CE 4.39Å; E266-M269 WeakPolarHBondContact O-CB 3.19Å; E266-M269 PolarHBondContact O-N 2.99Å; E266-M269 VanDerWaalsContact O-N 3.17Å; E266-H270 VanDerWaalsContact O-CG 3.31Å; E266-H270 PolarHBondContact O-N 2.83Å; E266-H270 PolarHBondContact O-ND1 2.83Å
267	H	92.8	Very high	96.2	Very high	63 Å²	63	29.2 Å²	29.2	29%	0.292	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-38.1	174.5	66.6	-87.7	0	0	0	111.8	G265 N271 A327	G265-H267 PolarHBondContact O-N 3.07Å; H267-N271 WeakPolarHBondContact O-CB 3.03Å; H267-N271 PolarHBondContact O-N 3.25Å; H267-N271 PolarHBondContact O-ND2 2.95Å; H267-A327 HydrophobicContact CB-CB 4.39Å
268	N	95.2	Very high	96.2	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.053	15%	0.147	C	C	.	.	H	α-helix	trans	-70.2	-41.6	174.7	-75.6	-39.1	0	0	0	111.2	T104 M108 W261 L263 V264 G265 E266 H270 N271 G272	T104-N268 WeakPolarHBondContact CG2-OD1 3.37Å; M108-N268 HydrophobicContact CE-CB 4.45Å; W261-N268 HydrophobicContact CH2-CB 4.31Å; W261-N268 VanDerWaalsContact CH2-O 3.23Å; W261-N268 WeakPolarHBondContact CH2-O 3.43Å; W261-N268 HydrophobicContact CZ2-CB 4.08Å; L263-N268 HydrophobicContact CB-CB 4.48Å; L263-N268 HydrophobicContact CD2-CB 4.25Å; V264-N268 PolarHBondContact O-ND2 2.89Å; G265-N268 PolarHBondContact O-N 3.03Å; E266-N268 VanDerWaalsContact C-N 3.26Å; E266-N268 PolarHBondContact O-N 3.3Å; N268-H270 VanDerWaalsContact C-N 3.33Å; N268-H270 PolarHBondContact O-N 2.85Å; N268-N271 WeakPolarHBondContact O-CB 3.46Å; N268-N271 PolarHBondContact O-N 3.23Å; N268-G272 PolarHBondContact O-N 2.67Å
269	M	97	Very high	96.2	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-54.6	-47.2	173.2	177.2	-178.2	79.4	0	0	111.8	A237 K239 A244 W247 G265 E266 G272 L273	A237-M269 HydrophobicContact CB-CE 4.01Å; A237-M269 HydrophobicContact CB-CG 3.81Å; A237-M269 HydrophobicContact CB-SD 3.88Å; K239-M269 HydrophobicContact CB-SD 4.03Å; K239-M269 HydrophobicContact CG-SD 4.49Å; A244-M269 HydrophobicContact CB-CB 4.25Å; A244-M269 HydrophobicContact CB-SD 4.35Å; W247-M269 HydrophobicContact CB-CG 4.24Å; W247-M269 HydrophobicContact CB-SD 3.78Å; W247-M269 HydrophobicContact CD2-CB 4.47Å; W247-M269 HydrophobicContact CD2-CG 3.51Å; W247-M269 HydrophobicContact CD2-SD 4.23Å; W247-M269 HydrophobicContact CE3-CG 3.92Å; W247-M269 HydrophobicContact CG-CG 3.65Å; W247-M269 HydrophobicContact CG-SD 3.86Å; W247-M269 HydrophobicContact CZ2-CG 4.26Å; W247-M269 HydrophobicContact CZ3-CG 4.43Å; G265-M269 PolarHBondContact O-N 2.8Å; E266-M269 HydrophobicContact CB-CE 4.42Å; E266-M269 HydrophobicContact CG-CE 4.39Å; E266-M269 WeakPolarHBondContact O-CB 3.19Å; E266-M269 PolarHBondContact O-N 2.99Å; E266-M269 VanDerWaalsContact O-N 3.17Å; M269-G272 PolarHBondContact O-N 3.28Å; M269-L273 PolarHBondContact O-N 2.76Å
270	H	96.2	Very high	96.2	Very high	89 Å²	89	30.4 Å²	30.4	41%	0.412	15%	0.151	S	C	.	.	H	α-helix	trans	-64.2	-43.4	176.8	-62.4	142.6	0	0	0	112.4	E266 N268 G272 L273 M274	E266-H270 VanDerWaalsContact O-CG 3.31Å; E266-H270 PolarHBondContact O-N 2.83Å; E266-H270 PolarHBondContact O-ND1 2.83Å; N268-H270 VanDerWaalsContact C-N 3.33Å; N268-H270 PolarHBondContact O-N 2.85Å; H270-G272 VanDerWaalsContact C-N 3.28Å; H270-G272 PolarHBondContact O-N 3.18Å; H270-L273 PolarHBondContact O-N 2.83Å; H270-M274 WeakPolarHBondContact O-CG 3.31Å; H270-M274 PolarHBondContact O-N 3.31Å
271	N	96.5	Very high	96.1	Very high	13 Å²	13	26.5 Å²	26.5	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-40.7	173.6	-70.3	-21.4	0	0	0	111.8	T104 T105 M108 H267 N268 M274 A275	T104-N271 HydrophobicContact CG2-CB 4.31Å; T105-N271 WeakPolarHBondContact OG1-CA 2.83Å; T105-N271 WeakPolarHBondContact OG1-CB 3.33Å; T105-N271 VanDerWaalsContact OG1-CG 3.24Å; T105-N271 PolarHBondContact OG1-OD1 3.33Å; M108-N271 HydrophobicContact SD-CB 4.02Å; H267-N271 WeakPolarHBondContact O-CB 3.03Å; H267-N271 PolarHBondContact O-N 3.25Å; H267-N271 PolarHBondContact O-ND2 2.95Å; N268-N271 WeakPolarHBondContact O-CB 3.46Å; N268-N271 PolarHBondContact O-N 3.23Å; N271-M274 PolarHBondContact O-N 3.48Å; N271-A275 PolarHBondContact O-N 3.38Å
272	G	98	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-43.8	176.3	0	0	0	0	0	112.2	M108 N268 M269 H270 M274 A275 I276	M108-G272 WeakPolarHBondContact SD-CA 3.17Å; M108-G272 PolarHBondContact SD-N 3.08Å; M108-G272 VanDerWaalsContact SD-N 3.4Å; N268-G272 PolarHBondContact O-N 2.67Å; M269-G272 PolarHBondContact O-N 3.28Å; H270-G272 VanDerWaalsContact C-N 3.28Å; H270-G272 PolarHBondContact O-N 3.18Å; G272-M274 VanDerWaalsContact C-N 3.35Å; G272-M274 PolarHBondContact O-N 2.91Å; G272-A275 PolarHBondContact O-N 2.87Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.43Å; G272-I276 PolarHBondContact O-N 2.62Å
273	L	98.4	Very high	96.2	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-41.5	177.3	-175	61.3	0	0	0	111.9	V229 W235 Q236 A237 W247 V249 M269 H270 A275 I276 A277	V229-L273 HydrophobicContact CG1-CB 4.45Å; V229-L273 HydrophobicContact CG1-CD2 3.31Å; V229-L273 HydrophobicContact CG1-CG 3.74Å; W235-L273 HydrophobicContact CB-CD1 4.18Å; W235-L273 HydrophobicContact CB-CD2 4.39Å; W235-L273 HydrophobicContact CB-CG 4.28Å; W235-L273 HydrophobicContact CE3-CD1 4.12Å; Q236-L273 VanDerWaalsContact C-CD2 3.49Å; A237-L273 HydrophobicContact CB-CD2 3.79Å; W247-L273 HydrophobicContact CH2-CB 4.11Å; W247-L273 HydrophobicContact CZ3-CB 4.18Å; W247-L273 HydrophobicContact CZ3-CD1 4.26Å; V249-L273 HydrophobicContact CG1-CD1 3.88Å; M269-L273 PolarHBondContact O-N 2.76Å; H270-L273 PolarHBondContact O-N 2.83Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.45Å; L273-I276 PolarHBondContact O-N 3.29Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.17Å
274	M	98.4	Very high	96.4	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.03	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-45.2	173.2	-68.3	-67.5	179	0	0	111.8	T105 I170 I206 P208 V229 H270 N271 G272 A277 A278	T105-M274 HydrophobicContact CG2-CB 3.99Å; I170-M274 HydrophobicContact CG2-CB 3.82Å; I170-M274 HydrophobicContact CG2-CG 4.19Å; I170-M274 HydrophobicContact CG2-SD 4.17Å; I206-M274 HydrophobicContact CG2-SD 3.77Å; P208-M274 HydrophobicContact CB-CE 3.78Å; P208-M274 HydrophobicContact CG-CE 4.09Å; V229-M274 HydrophobicContact CB-CE 3.73Å; V229-M274 HydrophobicContact CB-SD 4.06Å; V229-M274 HydrophobicContact CG1-CE 4.03Å; V229-M274 HydrophobicContact CG1-SD 4.38Å; V229-M274 HydrophobicContact CG2-CE 3.96Å; V229-M274 HydrophobicContact CG2-SD 3.59Å; V229-M274 VanDerWaalsContact CG2-SD 3.59Å; H270-M274 WeakPolarHBondContact O-CG 3.31Å; H270-M274 PolarHBondContact O-N 3.31Å; N271-M274 PolarHBondContact O-N 3.48Å; G272-M274 VanDerWaalsContact C-N 3.35Å; G272-M274 PolarHBondContact O-N 2.91Å; M274-A277 PolarHBondContact O-N 3.1Å; M274-A278 WeakPolarHBondContact O-CB 3.46Å; M274-A278 PolarHBondContact O-N 3.37Å
275	A	98.5	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-40.4	178.8	0	0	0	0	0	112.4	T105 M108 A109 I112 N271 G272 L273 A278 A279	T105-A275 HydrophobicContact CG2-CB 4.32Å; M108-A275 HydrophobicContact CB-CB 3.66Å; A109-A275 HydrophobicContact CB-CB 4.16Å; I112-A275 HydrophobicContact CD1-CB 3.98Å; N271-A275 PolarHBondContact O-N 3.38Å; G272-A275 PolarHBondContact O-N 2.87Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.45Å; A275-A278 PolarHBondContact O-N 3.37Å; A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 2.78Å
276	I	98.7	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-46.3	175.6	-68.7	170.1	0	0	0	110.7	I112 W235 W247 V249 V259 G272 L273 A278 A279 R280 P286 A289 A290 L293	I112-I276 HydrophobicContact CD1-CG1 4.2Å; W235-I276 HydrophobicContact CH2-CG2 4.1Å; W235-I276 HydrophobicContact CZ3-CG2 3.97Å; W247-I276 HydrophobicContact CH2-CD1 3.87Å; W247-I276 HydrophobicContact CZ3-CD1 4.49Å; V249-I276 HydrophobicContact CG1-CD1 4.49Å; V249-I276 HydrophobicContact CG1-CG2 4.21Å; V249-I276 HydrophobicContact CG2-CD1 3.66Å; V259-I276 HydrophobicContact CG2-CD1 4.03Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.43Å; G272-I276 PolarHBondContact O-N 2.62Å; L273-I276 PolarHBondContact O-N 3.29Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.07Å; I276-A279 PolarHBondContact O-N 3.49Å; I276-R280 PolarHBondContact O-N 3.35Å; I276-P286 HydrophobicContact CG2-CB 4.28Å; I276-A289 HydrophobicContact CB-CB 4.31Å; I276-A289 HydrophobicContact CG1-CB 3.93Å; I276-A289 HydrophobicContact CG2-CB 4.08Å; I276-A290 HydrophobicContact CD1-CB 4.22Å; I276-L293 HydrophobicContact CD1-CD1 3.88Å; I276-L293 HydrophobicContact CG1-CD1 3.91Å
277	A	98.3	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-42.5	176.8	0	0	0	0	0	111.5	I206 W235 L273 M274 R280 H281	I206-A277 VanDerWaalsContact CD1-C 3.47Å; I206-A277 HydrophobicContact CD1-CB 3.95Å; I206-A277 HydrophobicContact CG1-CB 4.48Å; I206-A277 HydrophobicContact CG2-CB 3.91Å; W235-A277 HydrophobicContact CD2-CB 3.94Å; W235-A277 HydrophobicContact CG-CB 3.99Å; W235-A277 HydrophobicContact CZ2-CB 3.98Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.17Å; M274-A277 PolarHBondContact O-N 3.1Å; A277-R280 PolarHBondContact O-N 2.76Å; A277-H281 PolarHBondContact O-N 2.84Å
278	A	98.4	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-39.3	178.1	0	0	0	0	0	112.8	L94 T168 I170 I206 M274 A275 I276 R280 H281	L94-A278 HydrophobicContact CD2-CB 4.35Å; T168-A278 HydrophobicContact CG2-CB 3.87Å; I170-A278 HydrophobicContact CD1-CB 3.45Å; I170-A278 VanDerWaalsContact CD1-CB 3.45Å; I170-A278 HydrophobicContact CG1-CB 3.76Å; I206-A278 HydrophobicContact CD1-CB 3.72Å; I206-A278 VanDerWaalsContact CD1-N 3.27Å; M274-A278 WeakPolarHBondContact O-CB 3.46Å; M274-A278 PolarHBondContact O-N 3.37Å; A275-A278 PolarHBondContact O-N 3.37Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.07Å; A278-R280 VanDerWaalsContact C-N 3.3Å; A278-R280 PolarHBondContact O-N 2.82Å; A278-H281 WeakPolarHBondContact O-CB 3.29Å; A278-H281 PolarHBondContact O-N 2.87Å
279	A	98.2	Very high	97.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-35.5	176	0	0	0	0	0	111.9	I112 A275 I276 H281 V282 G283 V284 A289	I112-A279 HydrophobicContact CB-CB 4.44Å; I112-A279 HydrophobicContact CD1-CB 4.47Å; I112-A279 HydrophobicContact CG2-CB 3.55Å; A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 2.78Å; I276-A279 PolarHBondContact O-N 3.49Å; A279-H281 VanDerWaalsContact C-N 3.31Å; A279-H281 PolarHBondContact O-N 3.07Å; A279-V282 WeakPolarHBondContact O-CG2 3.48Å; A279-V282 PolarHBondContact O-N 3.22Å; A279-G283 PolarHBondContact O-N 2.88Å; A279-V284 HydrophobicContact CB-CB 3.95Å; A279-V284 HydrophobicContact CB-CG1 4.41Å; A279-V284 HydrophobicContact CB-CG2 4.14Å; A279-V284 WeakPolarHBondContact O-CB 3.46Å; A279-V284 PolarHBondContact O-N 2.86Å; A279-A289 HydrophobicContact CB-CB 4.36Å
280	R	97.6	Very high	97.6	Very high	91 Å²	91	23.9 Å²	23.9	34%	0.343	14%	0.144	S	C	.	.	H	α-helix	trans	-61.1	-39	174.3	-172.7	-168	172.9	-132.2	7.1	112.3	E227 W235 I276 A277 A278 V282 G283 V284 P286	E227-R280 IonicContact OE1-NH1 2.7Å; E227-R280 PolarHBondContact OE1-NH1 3.39Å; W235-R280 HydrophobicContact CH2-CB 4.18Å; W235-R280 HydrophobicContact CH2-CG 4.47Å; W235-R280 HydrophobicContact CZ2-CB 3.97Å; W235-R280 HydrophobicContact CZ2-CG 4.27Å; I276-R280 PolarHBondContact O-N 3.35Å; A277-R280 PolarHBondContact O-N 2.76Å; A278-R280 VanDerWaalsContact C-N 3.3Å; A278-R280 PolarHBondContact O-N 2.82Å; R280-V282 PolarHBondContact O-N 3.41Å; R280-G283 PolarHBondContact O-N 2.9Å; R280-V284 WeakPolarHBondContact CA-O 3.4Å; R280-P286 HydrophobicContact CG-CG 4.45Å
281	H	96.9	Very high	97.7	Very high	27 Å²	27	25 Å²	25	13%	0.125	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-30.3	178.7	-174.4	-148.1	0	0	0	112.4	W92 R167 T168 R204 A277 A278 A279 G283	W92-H281 AromaticContact CZ2-CE1 3.58Å; W92-H281 AromaticContact CZ2-ND1 3.94Å; W92-H281 AromaticContact CZ2-NE2 3.76Å; R167-H281 PolarHBondContact O-CE1 3.48Å; T168-H281 HydrophobicContact CG2-CB 4.27Å; T168-H281 PolarHBondContact OG1-ND1 2.84Å; R204-H281 WeakPolarHBondContact CB-CE1 3.47Å; R204-H281 WeakPolarHBondContact CB-ND1 3.46Å; A277-H281 PolarHBondContact O-N 2.84Å; A278-H281 WeakPolarHBondContact O-CB 3.29Å; A278-H281 PolarHBondContact O-N 2.87Å; A279-H281 VanDerWaalsContact C-N 3.31Å; A279-H281 PolarHBondContact O-N 3.07Å; H281-G283 VanDerWaalsContact C-N 3.35Å
282	V	93.7	Very high	97.8	Very high	15 Å²	15	24.7 Å²	24.7	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4	177	-55.2	0	0	0	0	114.2	L94 L113 F142 A279 R280 V284	L94-V282 HydrophobicContact CD1-CG1 4.03Å; L94-V282 HydrophobicContact CD2-CG1 4.19Å; L94-V282 HydrophobicContact CG-CG1 4.28Å; L113-V282 HydrophobicContact CD2-CG2 3.46Å; L113-V282 VanDerWaalsContact CD2-CG2 3.46Å; F142-V282 HydrophobicContact CD1-CB 4.03Å; F142-V282 HydrophobicContact CD1-CG1 3.88Å; F142-V282 HydrophobicContact CE1-CB 3.5Å; F142-V282 HydrophobicContact CE1-CG1 3.65Å; F142-V282 HydrophobicContact CE1-CG2 4.42Å; F142-V282 HydrophobicContact CZ-CB 3.95Å; A279-V282 WeakPolarHBondContact O-CG2 3.48Å; A279-V282 PolarHBondContact O-N 3.22Å; R280-V282 PolarHBondContact O-N 3.41Å; V282-V284 HydrophobicContact CG2-CG2 4.3Å
283	G	95	Very high	97.8	Very high	54 Å²	54	24.7 Å²	24.7	56%	0.557	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.1	8.2	173.3	0	0	0	0	0	115.7	A279 R280 H281	A279-G283 PolarHBondContact O-N 2.88Å; R280-G283 PolarHBondContact O-N 2.9Å; H281-G283 VanDerWaalsContact C-N 3.35Å
284	V	97.9	Very high	97.7	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	17%	0.168	C	C	.	.			trans	-76.3	132.4	172.9	-178.1	0	0	0	0	110	I112 L113 C116 Y118 A279 R280 V282 D288 A289	I112-V284 HydrophobicContact CG2-CG1 3.94Å; I112-V284 HydrophobicContact CG2-CG2 4.39Å; L113-V284 HydrophobicContact CD2-CG2 3.81Å; C116-V284 HydrophobicContact CB-CG1 4.48Å; C116-V284 HydrophobicContact CB-CG2 4.28Å; C116-V284 VanDerWaalsContact SG-CG1 3.52Å; Y118-V284 HydrophobicContact CD2-CG2 4.26Å; Y118-V284 HydrophobicContact CE2-CG2 3.63Å; A279-V284 HydrophobicContact CB-CB 3.95Å; A279-V284 HydrophobicContact CB-CG1 4.41Å; A279-V284 HydrophobicContact CB-CG2 4.14Å; A279-V284 WeakPolarHBondContact O-CB 3.46Å; A279-V284 PolarHBondContact O-N 2.86Å; R280-V284 WeakPolarHBondContact CA-O 3.4Å; V282-V284 HydrophobicContact CG2-CG2 4.3Å; V284-D288 HydrophobicContact CG1-CB 4.28Å; V284-A289 HydrophobicContact CG1-CB 3.93Å
285	A	97.9	Very high	97.6	Very high	44 Å²	44	28.5 Å²	28.5	36%	0.364	19%	0.185	S	C	.	.			trans	-68.2	139.3	174.4	0	0	0	0	0	110.5	A287 D288 A289	A285-A287 PolarHBondContact O-N 2.83Å; A285-A287 VanDerWaalsContact O-N 3.16Å; A285-D288 WeakPolarHBondContact CB-OD2 3.46Å; A285-D288 PolarHBondContact O-N 3.28Å; A285-A289 PolarHBondContact O-N 3.05Å
286	P	98.2	Very high	97.4	Very high	22 Å²	22	28.8 Å²	28.8	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-35	-176.8	-26.6	34.9	0	0	0	114.1	W235 V256 I276 R280 A289 A290	W235-P286 HydrophobicContact CH2-CB 4.16Å; W235-P286 HydrophobicContact CH2-CG 3.88Å; W235-P286 HydrophobicContact CZ3-CB 4.27Å; W235-P286 HydrophobicContact CZ3-CG 4.39Å; V256-P286 HydrophobicContact CB-CB 3.96Å; V256-P286 HydrophobicContact CB-CG 4.35Å; V256-P286 HydrophobicContact CG2-CB 3.66Å; V256-P286 HydrophobicContact CG2-CG 4.21Å; I276-P286 HydrophobicContact CG2-CB 4.28Å; R280-P286 HydrophobicContact CG-CG 4.45Å; P286-A289 PolarHBondContact O-N 3.35Å; P286-A290 WeakPolarHBondContact O-CB 3.23Å; P286-A290 PolarHBondContact O-N 2.89Å
287	A	98.2	Very high	97.1	Very high	43 Å²	43	33.3 Å²	33.3	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-41.4	175.9	0	0	0	0	0	112.5	V256 A285 A290 N291	V256-A287 PolarHBondContact O-N 3.19Å; A285-A287 PolarHBondContact O-N 2.83Å; A285-A287 VanDerWaalsContact O-N 3.16Å; A287-A290 PolarHBondContact O-N 3.17Å; A287-N291 WeakPolarHBondContact O-CB 3.4Å; A287-N291 VanDerWaalsContact O-CG 3.23Å; A287-N291 PolarHBondContact O-N 3.31Å; A287-N291 PolarHBondContact O-ND2 2.9Å; A287-N291 VanDerWaalsContact O-ND2 3.17Å
288	D	98.5	Very high	96.6	Very high	87 Å²	87	34.5 Å²	34.5	47%	0.465	22%	0.216	S	C	.	.	H	α-helix	trans	-69.2	-40.2	178.6	-62.9	-32.1	0	0	0	111	V284 A285 N291 A292	V284-D288 HydrophobicContact CG1-CB 4.28Å; A285-D288 WeakPolarHBondContact CB-OD2 3.46Å; A285-D288 PolarHBondContact O-N 3.28Å; D288-N291 PolarHBondContact O-N 3.04Å; D288-A292 WeakPolarHBondContact O-CB 3.4Å; D288-A292 PolarHBondContact O-N 2.97Å
289	A	98.6	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-44.6	173.5	0	0	0	0	0	111.8	I112 I276 A279 V284 A285 P286 A292 L293	I112-A289 HydrophobicContact CD1-CB 4.11Å; I112-A289 HydrophobicContact CG1-CB 4.26Å; I112-A289 HydrophobicContact CG2-CB 3.67Å; I276-A289 HydrophobicContact CB-CB 4.31Å; I276-A289 HydrophobicContact CG1-CB 3.93Å; I276-A289 HydrophobicContact CG2-CB 4.08Å; A279-A289 HydrophobicContact CB-CB 4.36Å; V284-A289 HydrophobicContact CG1-CB 3.93Å; A285-A289 PolarHBondContact O-N 3.05Å; P286-A289 PolarHBondContact O-N 3.35Å; A289-A292 PolarHBondContact O-N 3.38Å; A289-L293 WeakPolarHBondContact O-CG 3.41Å; A289-L293 PolarHBondContact O-N 3.36Å
290	A	98.4	Very high	95.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-43.9	177.3	0	0	0	0	0	112.2	V249 E258 V259 I276 P286 A287 A292 L293	V249-A290 HydrophobicContact CG2-CB 4.14Å; E258-A290 WeakPolarHBondContact O-CB 3.48Å; V259-A290 HydrophobicContact CG2-CB 3.73Å; I276-A290 HydrophobicContact CD1-CB 4.22Å; P286-A290 WeakPolarHBondContact O-CB 3.23Å; P286-A290 PolarHBondContact O-N 2.89Å; A287-A290 PolarHBondContact O-N 3.17Å; A290-A292 PolarHBondContact O-N 3.19Å; A290-L293 PolarHBondContact O-N 2.8Å
291	N	98.1	Very high	94.7	Very high	112 Å²	112	41.5 Å²	41.5	60%	0.599	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-42.3	175.8	-73.3	-30	0	0	0	112	A287 D288 L293 G294	A287-N291 WeakPolarHBondContact O-CB 3.4Å; A287-N291 VanDerWaalsContact O-CG 3.23Å; A287-N291 PolarHBondContact O-N 3.31Å; A287-N291 PolarHBondContact O-ND2 2.9Å; A287-N291 VanDerWaalsContact O-ND2 3.17Å; D288-N291 PolarHBondContact O-N 3.04Å; N291-L293 VanDerWaalsContact C-N 3.3Å; N291-L293 PolarHBondContact O-N 3.19Å; N291-G294 PolarHBondContact O-N 3.2Å; N291-G294 VanDerWaalsContact O-N 3.1Å
292	A	98.1	Very high	94.3	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-41.4	178.6	0	0	0	0	0	111.9	W111 I112 Q115 D288 A289 A290 G294 S295	W111-A292 VanDerWaalsContact CD1-O 3.26Å; W111-A292 PolarHBondContact NE1-O 3.34Å; I112-A292 HydrophobicContact CG1-CB 4.21Å; Q115-A292 HydrophobicContact CB-CB 3.69Å; Q115-A292 HydrophobicContact CG-CB 4.01Å; D288-A292 WeakPolarHBondContact O-CB 3.4Å; D288-A292 PolarHBondContact O-N 2.97Å; A289-A292 PolarHBondContact O-N 3.38Å; A290-A292 PolarHBondContact O-N 3.19Å; A292-G294 PolarHBondContact O-N 2.84Å; A292-G294 VanDerWaalsContact O-N 3.15Å; A292-S295 PolarHBondContact O-N 3.18Å; A292-S295 PolarHBondContact O-OG 3.4Å; A292-S295 VanDerWaalsContact O-OG 3.05Å
293	L	98.3	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-20.2	178.2	-69.2	-175.6	0	0	0	113.9	M108 I112 V259 W261 I276 A289 A290 N291 S295 F296	M108-L293 HydrophobicContact CB-CD2 3.72Å; M108-L293 HydrophobicContact CG-CD2 3.8Å; I112-L293 HydrophobicContact CD1-CD1 4.26Å; I112-L293 HydrophobicContact CD1-CD2 3.82Å; I112-L293 HydrophobicContact CD1-CG 3.95Å; I112-L293 HydrophobicContact CG1-CD2 3.82Å; I112-L293 HydrophobicContact CG1-CG 4.02Å; V259-L293 HydrophobicContact CG1-CB 4.06Å; V259-L293 HydrophobicContact CG2-CD1 4.35Å; W261-L293 HydrophobicContact CE3-CB 4.09Å; W261-L293 HydrophobicContact CZ3-CB 4.27Å; W261-L293 HydrophobicContact CZ3-CD1 4.06Å; I276-L293 HydrophobicContact CD1-CD1 3.88Å; I276-L293 HydrophobicContact CG1-CD1 3.91Å; A289-L293 WeakPolarHBondContact O-CG 3.41Å; A289-L293 PolarHBondContact O-N 3.36Å; A290-L293 PolarHBondContact O-N 2.8Å; N291-L293 VanDerWaalsContact C-N 3.3Å; N291-L293 PolarHBondContact O-N 3.19Å; L293-S295 PolarHBondContact O-N 3.24Å; L293-F296 HydrophobicContact CD2-CB 4.36Å; L293-F296 VanDerWaalsContact O-CB 3.29Å; L293-F296 WeakPolarHBondContact O-CB 3.25Å; L293-F296 PolarHBondContact O-N 3.46Å; L293-F296 VanDerWaalsContact O-N 3.07Å
294	G	96.3	Very high	94	Very high	33 Å²	33	43.6 Å²	43.6	34%	0.34	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	176.8	0	0	0	0	0	114.6	K260 N291 A292	K260-G294 WeakPolarHBondContact O-CA 3.35Å; N291-G294 PolarHBondContact O-N 3.2Å; N291-G294 VanDerWaalsContact O-N 3.1Å; A292-G294 PolarHBondContact O-N 2.84Å; A292-G294 VanDerWaalsContact O-N 3.15Å
295	S	95.5	Very high	93.8	Very high	55 Å²	55	48 Å²	48	39%	0.385	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	12.6	175.1	59.2	0	0	0	0	113.5	W111 N130 A292 L293	W111-S295 WeakPolarHBondContact CZ2-OG 3.38Å; W111-S295 PolarHBondContact NE1-OG 3.39Å; N130-S295 PolarHBondContact ND2-O 3.45Å; A292-S295 PolarHBondContact O-N 3.18Å; A292-S295 PolarHBondContact O-OG 3.4Å; A292-S295 VanDerWaalsContact O-OG 3.05Å; L293-S295 PolarHBondContact O-N 3.24Å
296	F	95.4	Very high	93.6	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.026	26%	0.26	C	S	.	.			trans	-71.2	135.2	179	179.9	-109.3	0	0	0	111.4	T104 M108 W111 N130 L263 L293 N298	T104-F296 HydrophobicContact CG2-CE1 4.36Å; M108-F296 HydrophobicContact CE-CD1 3.84Å; M108-F296 HydrophobicContact CE-CE1 3.71Å; M108-F296 HydrophobicContact CG-CD1 3.78Å; M108-F296 HydrophobicContact CG-CD2 4.23Å; M108-F296 HydrophobicContact CG-CE1 3.57Å; M108-F296 HydrophobicContact CG-CE2 4.05Å; M108-F296 HydrophobicContact CG-CG 4.1Å; M108-F296 HydrophobicContact CG-CZ 3.71Å; M108-F296 HydrophobicContact SD-CE1 4.5Å; W111-F296 HydrophobicContact CB-CD2 3.86Å; W111-F296 HydrophobicContact CB-CE2 4.41Å; W111-F296 HydrophobicContact CG-CD2 4.07Å; N130-F296 VanDerWaalsContact OD1-CD2 3.27Å; N130-F296 WeakPolarHBondContact OD1-CD2 3.38Å; L263-F296 HydrophobicContact CD1-CD1 3.97Å; L263-F296 WeakPolarHBondContact CD1-O 3.16Å; L263-F296 HydrophobicContact CD2-CD1 3.76Å; L263-F296 HydrophobicContact CD2-CE1 3.9Å; L293-F296 HydrophobicContact CD2-CB 4.36Å; L293-F296 VanDerWaalsContact O-CB 3.29Å; L293-F296 WeakPolarHBondContact O-CB 3.25Å; L293-F296 PolarHBondContact O-N 3.46Å; L293-F296 VanDerWaalsContact O-N 3.07Å; F296-N298 HydrophobicContact CE1-CB 4.33Å
297	I	91.9	Very high	93.5	Very high	95 Å²	95	50.7 Å²	50.7	49%	0.487	26%	0.262	S	S	.	.			trans	-117.9	122.8	175.2	-56.1	174.6	0	0	0	107	G129 N130	G129-I297 WeakPolarHBondContact CA-O 3.37Å; G129-I297 PolarHBondContact N-O 2.9Å; N130-I297 PolarHBondContact OD1-N 3.04Å; N130-I297 PolarHBondContact OD1-O 3.1Å
298	N	87.7	Confident	93.4	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.128	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.4	159.7	-177.1	-138.3	-22.9	0	0	0	111.3	T104 G129 L263 F296 R302	T104-N298 PolarHBondContact OG1-OD1 2.91Å; T104-N298 VanDerWaalsContact OG1-OD1 3.07Å; G129-N298 VanDerWaalsContact CA-O 3.26Å; G129-N298 WeakPolarHBondContact CA-O 3.47Å; G129-N298 PolarHBondContact N-O 3.46Å; L263-N298 HydrophobicContact CD2-CB 4.37Å; F296-N298 HydrophobicContact CE1-CB 4.33Å; N298-R302 HydrophobicContact CB-CB 4.09Å
299	A	84	Confident	93	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60.6	154.1	170.3	0	0	0	0	0	109.9	T103 R302	T103-A299 HydrophobicContact CG2-CB 3.86Å; A299-R302 WeakPolarHBondContact O-CB 3.45Å; A299-R302 WeakPolarHBondContact O-CG 3.37Å
300	R	84.2	Confident	92.5	Very high	176 Å²	176	53.4 Å²	53.4	66%	0.664	27%	0.268	S	S	*	.	S	Bend	trans	-52.7	152	174.9	-69	-165.9	-177.3	-173.3	-0.7	111.4	E304	R300-E304 WeakPolarHBondContact CA-OE2 3.38Å; R300-E304 VanDerWaalsContact CB-OE2 3.31Å; R300-E304 WeakPolarHBondContact CB-OE2 3.08Å
301	R	85.8	Confident	92.1	Very high	54 Å²	54	54.7 Å²	54.7	20%	0.204	28%	0.281	C	S	.	.	S	Bend	trans	63.5	35.3	-179.5	-41.4	179.4	62.3	-158.5	-3.3	114.1	E304 D316 D317 F318 S422 G424	R301-E304 PolarHBondContact N-OE2 2.88Å; R301-D316 CarbonylContact C-O 3.47Å; R301-D316 WeakPolarHBondContact CG-OD2 3.34Å; R301-D316 IonicContact CZ-OD1 3.52Å; R301-D316 IonicContact NE-OD1 3.4Å; R301-D316 PolarHBondContact NE-OD1 3.36Å; R301-D316 IonicContact NE-OD2 3.12Å; R301-D316 PolarHBondContact NE-OD2 3.11Å; R301-D316 IonicContact NH2-OD1 2.69Å; R301-D317 CarbonylContact O-C 3.52Å; R301-D317 WeakPolarHBondContact O-CA 3.44Å; R301-F318 WeakPolarHBondContact O-CB 3.49Å; R301-F318 PolarHBondContact O-N 3.4Å; R301-S422 PolarHBondContact NH2-O 2.85Å; R301-G424 PolarHBondContact NH1-O 3.03Å; R301-G424 PolarHBondContact NH2-O 3.37Å
302	R	88.4	Confident	92.1	Very high	70 Å²	70	49.4 Å²	49.4	26%	0.264	25%	0.253	S	S	.	.	S	Bend	trans	-123	84.2	171.4	-62.8	-62.6	-176.5	179.8	-0.1	107.9	N298 A299 E304	N298-R302 HydrophobicContact CB-CB 4.09Å; A299-R302 WeakPolarHBondContact O-CB 3.45Å; A299-R302 WeakPolarHBondContact O-CG 3.37Å; R302-E304 PolarHBondContact O-N 3.4Å
303	L	91.1	Very high	92.1	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.141	26%	0.255	C	S	.	.	S	Bend	trans	48.2	45.7	-167.5	-161.7	64.1	0	0	0	112.5	V264 Y315 D316 D317 A331 L332 L419	V264-L303 HydrophobicContact CG2-CD2 3.55Å; L303-Y315 HydrophobicContact CD1-CD1 4.41Å; L303-Y315 HydrophobicContact CD1-CG 4.41Å; L303-Y315 HydrophobicContact CG-CD1 4.42Å; L303-D316 PolarHBondContact N-O 2.89Å; L303-D317 PolarHBondContact N-OD2 2.76Å; L303-A331 HydrophobicContact CD2-CB 4.44Å; L303-L332 HydrophobicContact CD1-CB 4.17Å; L303-L332 HydrophobicContact CD1-CD1 4.33Å; L303-L332 HydrophobicContact CD1-CD2 4.5Å; L303-L332 HydrophobicContact CD2-CB 4.39Å; L303-L419 HydrophobicContact CD1-CD1 3.52Å; L303-L419 HydrophobicContact CD1-CD2 4.41Å
304	E	91.8	Very high	92.1	Very high	44 Å²	44	49.8 Å²	49.8	21%	0.206	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.4	-176.9	179	-175.7	149.4	0	0	110.3	R300 R301 R302 R306 Y315 D316	R300-E304 WeakPolarHBondContact CA-OE2 3.38Å; R300-E304 VanDerWaalsContact CB-OE2 3.31Å; R300-E304 WeakPolarHBondContact CB-OE2 3.08Å; R301-E304 PolarHBondContact N-OE2 2.88Å; R302-E304 PolarHBondContact O-N 3.4Å; E304-R306 PolarHBondContact O-N 2.96Å; E304-R306 IonicContact OE1-NH1 2.8Å; E304-R306 PolarHBondContact OE1-NH1 3.29Å; E304-Y315 CarbonylContact O-C 3.53Å; E304-Y315 WeakPolarHBondContact O-CA 3.25Å; E304-D316 PolarHBondContact N-O 3.04Å; E304-D316 PolarHBondContact O-N 3.45Å
305	L	93.9	Very high	92.2	Very high	100 Å²	100	48.7 Å²	48.7	52%	0.524	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	113.8	170.6	175.3	61	0	0	0	109.8	T313 Y315	L305-T313 HydrophobicContact CD1-CG2 3.3Å; L305-Y315 HydrophobicContact CB-CD1 4.23Å; L305-Y315 HydrophobicContact CB-CE1 4.03Å; L305-Y315 HydrophobicContact CD1-CD1 4.42Å; L305-Y315 HydrophobicContact CD1-CE1 4.06Å
306	R	94.2	Very high	92.2	Very high	102 Å²	102	46.6 Å²	46.6	39%	0.385	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-34	178.9	-65.5	-63.1	-59	162.7	1.7	112.6	E304 V314 D316 H430	E304-R306 PolarHBondContact O-N 2.96Å; E304-R306 IonicContact OE1-NH1 2.8Å; E304-R306 PolarHBondContact OE1-NH1 3.29Å; R306-V314 HydrophobicContact CB-CG1 4.43Å; R306-V314 WeakPolarHBondContact CB-O 2.93Å; R306-V314 PolarHBondContact N-O 3.03Å; R306-D316 HydrophobicContact CG-CB 3.71Å; R306-H430 HydrophobicContact CG-CB 4.45Å
307	G	95.6	Very high	92.1	Very high	19 Å²	19	46.8 Å²	46.8	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	179	177.8	0	0	0	0	0	112.9	V314	G307-V314 PolarHBondContact O-N 2.89Å
308	E	96	Very high	92.1	Very high	132 Å²	132	45.3 Å²	45.3	62%	0.617	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.8	174.4	-170.8	-173.6	149.5	0	0	109.1	V312	E308-V312 VanDerWaalsContact CA-O 3.27Å; E308-V312 WeakPolarHBondContact CA-O 3.27Å; E308-V312 WeakPolarHBondContact CG-O 3.47Å
309	A	90.6	Very high	92.3	Very high	8 Å²	8	44.2 Å²	44.2	7%	0.066	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.3	176.9	0	0	0	0	0	109.7	G311 V312 L434 F437 R438	A309-G311 PolarHBondContact O-N 3.35Å; A309-G311 VanDerWaalsContact O-N 3.12Å; A309-V312 PolarHBondContact N-O 3.03Å; A309-V312 WeakPolarHBondContact O-CB 3.29Å; A309-V312 PolarHBondContact O-N 3.09Å; A309-L434 HydrophobicContact CB-CD2 4.07Å; A309-F437 HydrophobicContact CB-CB 3.55Å; A309-R438 HydrophobicContact CB-CG 4.05Å
310	N	86.6	Confident	92.5	Very high	47 Å²	47	45.2 Å²	45.2	25%	0.251	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	33	-175.3	-161.3	28.9	0	0	0	114.3	V312 F437 L441	N310-V312 PolarHBondContact O-N 3.07Å; N310-F437 HydrophobicContact CB-CB 4.02Å; N310-F437 HydrophobicContact CB-CD1 4.46Å; N310-F437 HydrophobicContact CB-CG 4.49Å; N310-L441 HydrophobicContact CB-CD1 4.42Å; N310-L441 WeakPolarHBondContact OD1-CD1 3.46Å
311	G	91.5	Very high	92.7	Very high	28 Å²	28	37.4 Å²	37.4	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	8.9	-175.2	0	0	0	0	0	115	A309 G415	A309-G311 PolarHBondContact O-N 3.35Å; A309-G311 VanDerWaalsContact O-N 3.12Å; G311-G415 PolarHBondContact O-N 3.35Å
312	V	96.8	Very high	93	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.5	177.4	-177.5	0	0	0	0	109.4	E308 A309 N310 A412 Q413 I418 F437	E308-V312 VanDerWaalsContact CA-O 3.27Å; E308-V312 WeakPolarHBondContact CA-O 3.27Å; E308-V312 WeakPolarHBondContact CG-O 3.47Å; A309-V312 PolarHBondContact N-O 3.03Å; A309-V312 WeakPolarHBondContact O-CB 3.29Å; A309-V312 PolarHBondContact O-N 3.09Å; N310-V312 PolarHBondContact O-N 3.07Å; V312-A412 HydrophobicContact CG1-CB 4.38Å; V312-A412 HydrophobicContact CG2-CB 4.22Å; V312-Q413 WeakPolarHBondContact CG2-O 2.89Å; V312-I418 HydrophobicContact CG1-CD1 3.54Å; V312-I418 HydrophobicContact CG1-CG1 3.89Å; V312-F437 HydrophobicContact CB-CD2 4.27Å; V312-F437 HydrophobicContact CB-CE2 4.04Å; V312-F437 HydrophobicContact CB-CZ 4.27Å; V312-F437 HydrophobicContact CG1-CD2 4.45Å; V312-F437 HydrophobicContact CG1-CE2 3.78Å; V312-F437 HydrophobicContact CG1-CZ 4Å; V312-F437 HydrophobicContact CG2-CE1 4.26Å; V312-F437 HydrophobicContact CG2-CE2 4.46Å; V312-F437 HydrophobicContact CG2-CZ 4.22Å
313	T	98.2	Very high	93.2	Very high	16 Å²	16	35 Å²	35	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.7	-179.3	-50.3	0	0	0	0	111.1	L305 Y315 D416 H417 I418	L305-T313 HydrophobicContact CD1-CG2 3.3Å; T313-Y315 HydrophobicContact CG2-CD2 4.17Å; T313-Y315 HydrophobicContact CG2-CE1 4.49Å; T313-Y315 HydrophobicContact CG2-CE2 3.46Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.46Å; T313-D416 PolarHBondContact N-O 2.74Å; T313-H417 WeakPolarHBondContact CB-ND1 3.44Å; T313-H417 CarbonylContact O-C 3.55Å; T313-H417 WeakPolarHBondContact O-CA 3.49Å; T313-H417 PolarHBondContact OG1-ND1 2.89Å; T313-I418 PolarHBondContact O-N 2.74Å
314	V	98.4	Very high	93.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.2	-178.9	-175.1	0	0	0	0	111.5	R306 G307 I418 V420 L434	R306-V314 HydrophobicContact CB-CG1 4.43Å; R306-V314 WeakPolarHBondContact CB-O 2.93Å; R306-V314 PolarHBondContact N-O 3.03Å; G307-V314 PolarHBondContact O-N 2.89Å; V314-I418 CarbonylContact C-O 3.52Å; V314-I418 HydrophobicContact CG2-CB 4.41Å; V314-I418 HydrophobicContact CG2-CD1 4.35Å; V314-V420 HydrophobicContact CG1-CG2 4.41Å; V314-L434 HydrophobicContact CB-CD2 4.41Å; V314-L434 HydrophobicContact CG2-CD2 3.98Å; V314-L434 HydrophobicContact CG2-CG 4.35Å
315	Y	97.8	Very high	93.3	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.6	178.6	-64.1	-85.8	0	0	0	112.4	L303 E304 L305 T313 L332 K335 H417 I418 V420	L303-Y315 HydrophobicContact CD1-CD1 4.41Å; L303-Y315 HydrophobicContact CD1-CG 4.41Å; L303-Y315 HydrophobicContact CG-CD1 4.42Å; E304-Y315 CarbonylContact O-C 3.53Å; E304-Y315 WeakPolarHBondContact O-CA 3.25Å; L305-Y315 HydrophobicContact CB-CD1 4.23Å; L305-Y315 HydrophobicContact CB-CE1 4.03Å; L305-Y315 HydrophobicContact CD1-CD1 4.42Å; L305-Y315 HydrophobicContact CD1-CE1 4.06Å; T313-Y315 HydrophobicContact CG2-CD2 4.17Å; T313-Y315 HydrophobicContact CG2-CE1 4.49Å; T313-Y315 HydrophobicContact CG2-CE2 3.46Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.46Å; Y315-L332 HydrophobicContact CD2-CD1 4.16Å; Y315-L332 HydrophobicContact CD2-CD2 4.42Å; Y315-L332 HydrophobicContact CE2-CD1 3.82Å; Y315-K335 PolarHBondContact OH-NZ 3.27Å; Y315-H417 HydrophobicContact CE2-CB 4.22Å; Y315-H417 AromaticContact CE2-ND1 3.79Å; Y315-I418 PolarHBondContact N-O 3.1Å; Y315-V420 PolarHBondContact O-N 3.08Å
316	D	95.4	Very high	93.4	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.1	172.8	-173.8	-2.2	0	0	0	110.5	R301 L303 E304 R306 H430	R301-D316 CarbonylContact C-O 3.47Å; R301-D316 WeakPolarHBondContact CG-OD2 3.34Å; R301-D316 IonicContact CZ-OD1 3.52Å; R301-D316 IonicContact NE-OD1 3.4Å; R301-D316 PolarHBondContact NE-OD1 3.36Å; R301-D316 IonicContact NE-OD2 3.12Å; R301-D316 PolarHBondContact NE-OD2 3.11Å; R301-D316 IonicContact NH2-OD1 2.69Å; L303-D316 PolarHBondContact N-O 2.89Å; E304-D316 PolarHBondContact N-O 3.04Å; E304-D316 PolarHBondContact O-N 3.45Å; R306-D316 HydrophobicContact CG-CB 3.71Å; D316-H430 VanDerWaalsContact CB-NE2 3.27Å; D316-H430 WeakPolarHBondContact CB-NE2 3.48Å; D316-H430 VanDerWaalsContact CG-CE1 3.47Å; D316-H430 VanDerWaalsContact CG-NE2 3.29Å; D316-H430 IonicContact OD1-CE1 3.7Å; D316-H430 IonicContact OD1-NE2 3.55Å; D316-H430 IonicContact OD2-CE1 2.7Å; D316-H430 IonicContact OD2-NE2 2.7Å
317	D	94.4	Very high	93.4	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.053	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.4	174	-159.8	-64.3	0	0	0	112.3	R301 L303 A319 T328 L419 V420 M421 S422	R301-D317 CarbonylContact O-C 3.52Å; R301-D317 WeakPolarHBondContact O-CA 3.44Å; L303-D317 PolarHBondContact N-OD2 2.76Å; D317-A319 PolarHBondContact O-N 3.35Å; D317-A319 WeakPolarHBondContact OD1-CB 2.95Å; D317-A319 PolarHBondContact OD1-N 2.76Å; D317-T328 PolarHBondContact OD2-OG1 3.37Å; D317-L419 HydrophobicContact CB-CD1 4.02Å; D317-V420 PolarHBondContact N-O 2.9Å; D317-M421 HydrophobicContact CB-CG 4.33Å; D317-M421 WeakPolarHBondContact O-CA 3.46Å; D317-S422 PolarHBondContact O-N 2.88Å; D317-S422 VanDerWaalsContact O-N 3.11Å
318	F	90.8	Very high	93.4	Very high	63 Å²	63	27.1 Å²	27.1	28%	0.276	15%	0.154	S	C	.	.			trans	-76.9	-1.9	177.6	-157.3	-96.3	0	0	0	114.2	R301 H320 S422 N423	R301-F318 WeakPolarHBondContact O-CB 3.49Å; R301-F318 PolarHBondContact O-N 3.4Å; F318-H320 AromaticContact CD1-CE1 3.93Å; F318-H320 AromaticContact CD1-ND1 3.71Å; F318-H320 AromaticContact CE1-CE1 3.83Å; F318-H320 AromaticContact CE1-ND1 3.85Å; F318-H320 PolarHBondContact O-N 2.8Å; F318-H320 PolarHBondContact O-ND1 3.08Å; F318-S422 WeakPolarHBondContact CA-O 3.27Å; F318-N423 HydrophobicContact CD1-CB 4.28Å; F318-N423 HydrophobicContact CD2-CB 4.49Å; F318-N423 HydrophobicContact CE1-CB 3.71Å; F318-N423 HydrophobicContact CE2-CB 3.96Å; F318-N423 WeakPolarHBondContact CE2-O 3.32Å; F318-N423 HydrophobicContact CZ-CB 3.54Å
319	A	91.8	Very high	93.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	12%	0.124	C	C	.	.			trans	-52.5	125.6	179.9	0	0	0	0	0	112.2	D317 A324 I325 T328 M421	D317-A319 PolarHBondContact O-N 3.35Å; D317-A319 WeakPolarHBondContact OD1-CB 2.95Å; D317-A319 PolarHBondContact OD1-N 2.76Å; A319-A324 HydrophobicContact CB-CB 4.07Å; A319-I325 HydrophobicContact CB-CG1 4.16Å; A319-T328 HydrophobicContact CB-CG2 3.67Å; A319-M421 HydrophobicContact CB-CG 4.27Å; A319-M421 HydrophobicContact CB-SD 4.17Å
320	H	88.4	Confident	93.7	Very high	31 Å²	31	22.6 Å²	22.6	14%	0.144	14%	0.139	C	C	.	.			trans	-149.6	13.2	-174.7	62.8	-87.8	0	0	0	112.7	F318 S350 M353 N423	F318-H320 AromaticContact CD1-CE1 3.93Å; F318-H320 AromaticContact CD1-ND1 3.71Å; F318-H320 AromaticContact CE1-CE1 3.83Å; F318-H320 AromaticContact CE1-ND1 3.85Å; F318-H320 PolarHBondContact O-N 2.8Å; F318-H320 PolarHBondContact O-ND1 3.08Å; H320-S350 PolarHBondContact O-OG 3.14Å; H320-M353 WeakPolarHBondContact O-CE 3.34Å; H320-N423 HydrophobicContact CB-CB 4.03Å
321	H	89.4	Confident	94.1	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.056	13%	0.128	C	C	.	.	S	Bend	trans	-130.7	144.3	174.1	-170.9	-99.1	0	0	0	107.2	H100 E175 T323 A324 I325	H100-H321 AromaticContact CE1-CG 3.64Å; H100-H321 AromaticContact CE1-ND1 3.65Å; H100-H321 AromaticContact NE2-CG 3.68Å; H100-H321 AromaticContact NE2-ND1 3.2Å; H100-H321 PolarHBondContact NE2-ND1 3.09Å; H100-H321 VanDerWaalsContact NE2-ND1 3.2Å; E175-H321 IonicContact OE2-CE1 3.45Å; E175-H321 PolarHBondContact OE2-CE1 2.87Å; E175-H321 IonicContact OE2-ND1 2.77Å; H321-T323 VanDerWaalsContact C-N 3.27Å; H321-T323 PolarHBondContact O-N 3.44Å; H321-A324 HydrophobicContact CB-CB 4.47Å; H321-A324 WeakPolarHBondContact O-CA 3.39Å; H321-A324 WeakPolarHBondContact O-CB 3.26Å; H321-A324 PolarHBondContact O-N 2.79Å; H321-I325 WeakPolarHBondContact O-CG1 3.48Å; H321-I325 PolarHBondContact O-N 2.53Å
322	P	92.4	Very high	94.3	Very high	11 Å²	11	19.2 Å²	19.2	7%	0.071	12%	0.115	C	C	.	.	H	α-helix	trans	-49.3	-44.6	-176.3	-30.6	35.4	0	0	0	114	A324 I325 L326 C358 D361 L362 S365	P322-A324 VanDerWaalsContact C-N 3.34Å; P322-A324 PolarHBondContact O-N 2.85Å; P322-I325 PolarHBondContact O-N 3.01Å; P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 2.81Å; P322-C358 HydrophobicContact CG-CB 3.85Å; P322-D361 HydrophobicContact CB-CB 3.89Å; P322-D361 HydrophobicContact CG-CB 3.79Å; P322-L362 HydrophobicContact CG-CD2 4.2Å; P322-S365 VanDerWaalsContact O-CB 3.29Å; P322-S365 WeakPolarHBondContact O-CB 3.34Å
323	T	91.4	Very high	94.2	Very high	61 Å²	61	21.1 Å²	21.1	37%	0.374	12%	0.122	S	C	.	.	H	α-helix	trans	-58.6	-44.1	176.7	-48.8	0	0	0	0	112	E175 H321 A327	E175-T323 PolarHBondContact OE2-OG1 3.17Å; H321-T323 VanDerWaalsContact C-N 3.27Å; H321-T323 PolarHBondContact O-N 3.44Å; T323-A327 VanDerWaalsContact O-CB 3.31Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 3.36Å; T323-A327 VanDerWaalsContact O-N 3.08Å
324	A	91.4	Very high	93.9	Very high	22 Å²	22	21.5 Å²	21.5	18%	0.182	13%	0.129	C	C	.	.	H	α-helix	trans	-71	-38.6	178.8	0	0	0	0	0	112.7	A319 H321 P322 A327 T328	A319-A324 HydrophobicContact CB-CB 4.07Å; H321-A324 HydrophobicContact CB-CB 4.47Å; H321-A324 WeakPolarHBondContact O-CA 3.39Å; H321-A324 WeakPolarHBondContact O-CB 3.26Å; H321-A324 PolarHBondContact O-N 2.79Å; P322-A324 VanDerWaalsContact C-N 3.34Å; P322-A324 PolarHBondContact O-N 2.85Å; A324-A327 PolarHBondContact O-N 2.78Å; A324-T328 WeakPolarHBondContact O-CG2 3.28Å; A324-T328 PolarHBondContact O-N 3.25Å
325	I	95.5	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-50.6	176.7	-70.9	167.1	0	0	0	109.9	A319 H321 P322 A327 T328 L329 L346 M353 L362 S365 L366 M421	A319-I325 HydrophobicContact CB-CG1 4.16Å; H321-I325 WeakPolarHBondContact O-CG1 3.48Å; H321-I325 PolarHBondContact O-N 2.53Å; P322-I325 PolarHBondContact O-N 3.01Å; I325-A327 VanDerWaalsContact C-N 3.31Å; I325-A327 PolarHBondContact O-N 2.95Å; I325-T328 VanDerWaalsContact O-CG2 3.29Å; I325-T328 WeakPolarHBondContact O-CG2 3.36Å; I325-T328 PolarHBondContact O-N 3.02Å; I325-L329 HydrophobicContact CG2-CD1 3.92Å; I325-L329 WeakPolarHBondContact O-CB 3.43Å; I325-L329 PolarHBondContact O-N 2.95Å; I325-L346 HydrophobicContact CD1-CD1 3.8Å; I325-L346 HydrophobicContact CD1-CD2 3.93Å; I325-L346 HydrophobicContact CG1-CD1 4.38Å; I325-M353 HydrophobicContact CD1-CE 3.5Å; I325-L362 HydrophobicContact CD1-CD2 4.15Å; I325-S365 WeakPolarHBondContact CG2-OG 3.35Å; I325-L366 HydrophobicContact CG2-CD2 3.83Å; I325-L366 HydrophobicContact CG2-CG 4.32Å; I325-M421 HydrophobicContact CB-SD 4.3Å; I325-M421 HydrophobicContact CG1-SD 4.1Å; I325-M421 HydrophobicContact CG2-CE 4.07Å; I325-M421 HydrophobicContact CG2-SD 3.94Å
326	L	95.9	Very high	93.4	Very high	74 Å²	74	27 Å²	27	39%	0.387	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-42.6	178.4	-179.7	60.4	0	0	0	111.2	P322 A330 R368	P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 2.81Å; L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 2.88Å; L326-R368 HydrophobicContact CD1-CG 3.92Å
327	A	93.7	Very high	93.1	Very high	28 Å²	28	27.9 Å²	27.9	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-42.1	180	0	0	0	0	0	112.9	H267 T323 A324 I325 A331	H267-A327 HydrophobicContact CB-CB 4.39Å; T323-A327 VanDerWaalsContact O-CB 3.31Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 3.36Å; T323-A327 VanDerWaalsContact O-N 3.08Å; A324-A327 PolarHBondContact O-N 2.78Å; I325-A327 VanDerWaalsContact C-N 3.31Å; I325-A327 PolarHBondContact O-N 2.95Å; A327-A331 WeakPolarHBondContact O-CB 3.42Å; A327-A331 PolarHBondContact O-N 3.01Å
328	T	95.5	Very high	92.8	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-39.6	178.5	-168.1	0	0	0	0	111.8	D317 A319 A324 I325 A330 A331 L332 L419 M421	D317-T328 PolarHBondContact OD2-OG1 3.37Å; A319-T328 HydrophobicContact CB-CG2 3.67Å; A324-T328 WeakPolarHBondContact O-CG2 3.28Å; A324-T328 PolarHBondContact O-N 3.25Å; I325-T328 VanDerWaalsContact O-CG2 3.29Å; I325-T328 WeakPolarHBondContact O-CG2 3.36Å; I325-T328 PolarHBondContact O-N 3.02Å; T328-A330 PolarHBondContact O-N 3.36Å; T328-A331 WeakPolarHBondContact O-CB 3.47Å; T328-A331 PolarHBondContact O-N 3.17Å; T328-L332 PolarHBondContact O-N 3.31Å; T328-L419 HydrophobicContact CG2-CD2 3.94Å; T328-M421 HydrophobicContact CG2-CG 4.35Å; T328-M421 HydrophobicContact CG2-SD 3.57Å; T328-M421 VanDerWaalsContact CG2-SD 3.57Å
329	L	97.3	Very high	92.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-39.7	174.4	-76.5	169.1	0	0	0	112.4	I325 A331 L332 R333 I342 A344 L366 R368 A369 L419 M421	I325-L329 HydrophobicContact CG2-CD1 3.92Å; I325-L329 WeakPolarHBondContact O-CB 3.43Å; I325-L329 PolarHBondContact O-N 2.95Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.08Å; L329-L332 PolarHBondContact O-N 3.15Å; L329-R333 VanDerWaalsContact O-CB 3.28Å; L329-R333 WeakPolarHBondContact O-CB 3.4Å; L329-R333 PolarHBondContact O-N 3.29Å; L329-I342 HydrophobicContact CD2-CG2 3.86Å; L329-A344 HydrophobicContact CD2-CB 4.21Å; L329-L366 HydrophobicContact CD1-CD2 4.21Å; L329-R368 HydrophobicContact CB-CB 3.82Å; L329-A369 HydrophobicContact CD2-CB 4.23Å; L329-L419 HydrophobicContact CD2-CD2 3.69Å; L329-L419 HydrophobicContact CG-CD2 4.11Å; L329-M421 HydrophobicContact CD1-CE 4.38Å; L329-M421 HydrophobicContact CG-CE 4.44Å
330	A	95.4	Very high	92.7	Very high	46 Å²	46	35.4 Å²	35.4	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-38.9	174.2	0	0	0	0	0	111.7	L326 T328 R333 G334	L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 2.88Å; T328-A330 PolarHBondContact O-N 3.36Å; A330-R333 PolarHBondContact O-N 3.39Å; A330-G334 PolarHBondContact O-N 2.93Å
331	A	94.5	Very high	93.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-45.5	175.8	0	0	0	0	0	111.8	V264 L303 A327 T328 L329 G334 K335	V264-A331 HydrophobicContact CG2-CB 4.07Å; L303-A331 HydrophobicContact CD2-CB 4.44Å; A327-A331 WeakPolarHBondContact O-CB 3.42Å; A327-A331 PolarHBondContact O-N 3.01Å; T328-A331 WeakPolarHBondContact O-CB 3.47Å; T328-A331 PolarHBondContact O-N 3.17Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.08Å; A331-G334 PolarHBondContact O-N 3.4Å; A331-K335 PolarHBondContact O-N 3.27Å
332	L	96	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-43.5	175.5	-175.9	58.8	0	0	0	111.3	L303 Y315 T328 L329 G334 K335 V336 I342 L419	L303-L332 HydrophobicContact CD1-CB 4.17Å; L303-L332 HydrophobicContact CD1-CD1 4.33Å; L303-L332 HydrophobicContact CD1-CD2 4.5Å; L303-L332 HydrophobicContact CD2-CB 4.39Å; Y315-L332 HydrophobicContact CD2-CD1 4.16Å; Y315-L332 HydrophobicContact CD2-CD2 4.42Å; Y315-L332 HydrophobicContact CE2-CD1 3.82Å; T328-L332 PolarHBondContact O-N 3.31Å; L329-L332 PolarHBondContact O-N 3.15Å; L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.28Å; L332-K335 WeakPolarHBondContact O-CA 3.35Å; L332-K335 WeakPolarHBondContact O-CB 3.37Å; L332-K335 PolarHBondContact O-N 3.33Å; L332-V336 HydrophobicContact CD1-CG1 3.75Å; L332-V336 HydrophobicContact CG-CG1 4.39Å; L332-V336 WeakPolarHBondContact O-CG2 3.25Å; L332-V336 PolarHBondContact O-N 2.88Å; L332-I342 HydrophobicContact CB-CD1 4.28Å; L332-I342 HydrophobicContact CD2-CD1 4.14Å; L332-I342 HydrophobicContact CD2-CG1 4.28Å; L332-I342 HydrophobicContact CD2-CG2 3.87Å; L332-I342 HydrophobicContact CG-CD1 3.88Å; L332-I342 HydrophobicContact CG-CG1 4.38Å; L332-L419 HydrophobicContact CD2-CB 3.83Å; L332-L419 HydrophobicContact CD2-CD2 4.07Å; L332-L419 HydrophobicContact CD2-CG 4.38Å
333	R	94.9	Very high	93.9	Very high	41 Å²	41	35.8 Å²	35.8	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-41.6	175.3	-178.9	59.2	64.8	-168.1	5	112.4	L329 A330 K335 G337 A340 I342 R368 D370	L329-R333 VanDerWaalsContact O-CB 3.28Å; L329-R333 WeakPolarHBondContact O-CB 3.4Å; L329-R333 PolarHBondContact O-N 3.29Å; A330-R333 PolarHBondContact O-N 3.39Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.92Å; R333-G337 VanDerWaalsContact CD-O 3.3Å; R333-G337 WeakPolarHBondContact CD-O 3.45Å; R333-G337 PolarHBondContact NH1-O 3.27Å; R333-G337 VanDerWaalsContact NH1-O 3.08Å; R333-G337 WeakPolarHBondContact O-CA 3.29Å; R333-G337 PolarHBondContact O-N 2.84Å; R333-A340 PolarHBondContact NH1-O 3.27Å; R333-I342 HydrophobicContact CB-CD1 4.06Å; R333-R368 PolarHBondContact NH2-O 2.85Å; R333-D370 IonicContact CZ-OD2 3.72Å; R333-D370 IonicContact NH1-OD2 2.92Å; R333-D370 IonicContact NH2-OD1 3.39Å; R333-D370 IonicContact NH2-OD2 3.9Å; R333-D370 PolarHBondContact NH2-OD2 3.21Å
334	G	91.5	Very high	94.3	Very high	25 Å²	25	32.9 Å²	32.9	26%	0.258	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-35.4	174.3	0	0	0	0	0	112.7	A330 A331 L332	A330-G334 PolarHBondContact O-N 2.93Å; A331-G334 PolarHBondContact O-N 3.4Å; L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.28Å
335	K	91.6	Very high	94.6	Very high	98 Å²	98	31.9 Å²	31.9	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-74.6	-48.5	179.1	-174.8	-174.1	179.2	-170.4	0	113.4	V264 Y315 A331 L332 R333	V264-K335 HydrophobicContact CG1-CB 4.23Å; V264-K335 HydrophobicContact CG1-CG 4.38Å; Y315-K335 PolarHBondContact OH-NZ 3.27Å; A331-K335 PolarHBondContact O-N 3.27Å; L332-K335 WeakPolarHBondContact O-CA 3.35Å; L332-K335 WeakPolarHBondContact O-CB 3.37Å; L332-K335 PolarHBondContact O-N 3.33Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.92Å
336	V	93.4	Very high	94.8	Very high	27 Å²	27	31.9 Å²	31.9	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-92.1	-10.9	-171.8	-52.9	0	0	0	0	113.5	L332 A340 I342	L332-V336 HydrophobicContact CD1-CG1 3.75Å; L332-V336 HydrophobicContact CG-CG1 4.39Å; L332-V336 WeakPolarHBondContact O-CG2 3.25Å; L332-V336 PolarHBondContact O-N 2.88Å; V336-A340 HydrophobicContact CB-CB 4.09Å; V336-A340 HydrophobicContact CG2-CB 4.05Å; V336-I342 HydrophobicContact CG2-CD1 3.9Å; V336-I342 HydrophobicContact CG2-CG1 3.99Å
337	G	90.7	Very high	94.7	Very high	29 Å²	29	29.2 Å²	29.2	30%	0.299	19%	0.193	S	C	.	.			trans	82.6	178.9	-179.2	0	0	0	0	0	114	R333 T339	R333-G337 VanDerWaalsContact CD-O 3.3Å; R333-G337 WeakPolarHBondContact CD-O 3.45Å; R333-G337 PolarHBondContact NH1-O 3.27Å; R333-G337 VanDerWaalsContact NH1-O 3.08Å; R333-G337 WeakPolarHBondContact O-CA 3.29Å; R333-G337 PolarHBondContact O-N 2.84Å; G337-T339 PolarHBondContact O-N 2.64Å
338	G	86.6	Confident	94.6	Very high	71 Å²	71	28 Å²	28	73%	0.732	18%	0.182	S	C	*	.	S	Bend	trans	-80.8	-8.3	-172.9	0	0	0	0	0	115.8
339	T	88.3	Confident	94.2	Very high	139 Å²	139	32.5 Å²	32.5	85%	0.853	20%	0.199	S	C	*	.	S	Bend	trans	-105.5	-26.6	-174.6	52.9	0	0	0	0	114	G337	G337-T339 PolarHBondContact O-N 2.64Å
340	A	93.8	Very high	93.6	Very high	22 Å²	22	32.7 Å²	32.7	18%	0.182	20%	0.201	C	C	.	.	S	Bend	trans	-74.3	137	177.6	0	0	0	0	0	110	R333 V336	R333-A340 PolarHBondContact NH1-O 3.27Å; V336-A340 HydrophobicContact CB-CB 4.09Å; V336-A340 HydrophobicContact CG2-CB 4.05Å
341	R	98.1	Very high	92.9	Very high	63 Å²	63	33.9 Å²	33.9	24%	0.238	20%	0.2	C	C	.	.			trans	-77.9	135.4	179.4	-71.8	171.1	65	-148.6	5.8	110.7	D370 E371 D416 H417	R341-D370 VanDerWaalsContact CA-OD2 3.24Å; R341-D370 WeakPolarHBondContact CA-OD2 3.47Å; R341-D370 HydrophobicContact CB-CB 4.33Å; R341-D370 HydrophobicContact CG-CB 4.32Å; R341-E371 IonicContact NH2-OE2 3.38Å; R341-E371 PolarHBondContact NH2-OE2 3.08Å; R341-D416 WeakPolarHBondContact CB-OD1 3.39Å; R341-D416 IonicContact CZ-OD2 2.98Å; R341-D416 IonicContact NH1-OD1 3.75Å; R341-D416 IonicContact NH1-OD2 3.89Å; R341-D416 PolarHBondContact NH1-OD2 3.15Å; R341-H417 PolarHBondContact O-N 3.47Å
342	I	98.6	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.8	172.6	-61.7	177.4	0	0	0	108.4	L329 L332 R333 V336 A369 D370 E371 H417	L329-I342 HydrophobicContact CD2-CG2 3.86Å; L332-I342 HydrophobicContact CB-CD1 4.28Å; L332-I342 HydrophobicContact CD2-CD1 4.14Å; L332-I342 HydrophobicContact CD2-CG1 4.28Å; L332-I342 HydrophobicContact CD2-CG2 3.87Å; L332-I342 HydrophobicContact CG-CD1 3.88Å; L332-I342 HydrophobicContact CG-CG1 4.38Å; R333-I342 HydrophobicContact CB-CD1 4.06Å; V336-I342 HydrophobicContact CG2-CD1 3.9Å; V336-I342 HydrophobicContact CG2-CG1 3.99Å; I342-A369 HydrophobicContact CG2-CB 4.46Å; I342-D370 PolarHBondContact N-OD2 3.42Å; I342-D370 PolarHBondContact O-N 3.13Å; I342-E371 PolarHBondContact O-N 3.27Å; I342-H417 CarbonylContact C-O 3.51Å; I342-H417 WeakPolarHBondContact CA-O 3.37Å
343	I	98.7	Very high	91.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.8	173.2	-58.5	176.9	0	0	0	107.9	V345 E371 F373 A412 D416 H417 I418 L419	I343-V345 HydrophobicContact CG2-CG2 4.42Å; I343-E371 WeakPolarHBondContact CA-O 3.29Å; I343-E371 HydrophobicContact CG1-CB 4.47Å; I343-F373 HydrophobicContact CG2-CD2 3.51Å; I343-F373 HydrophobicContact CG2-CE2 3.56Å; I343-A412 HydrophobicContact CD1-CB 4.04Å; I343-D416 HydrophobicContact CD1-CB 4.24Å; I343-H417 PolarHBondContact N-O 2.89Å; I343-I418 HydrophobicContact CB-CG1 4.16Å; I343-I418 HydrophobicContact CD1-CG1 4.36Å; I343-I418 CarbonylContact O-C 3.6Å; I343-I418 WeakPolarHBondContact O-CA 3.42Å; I343-L419 PolarHBondContact O-N 3.21Å
344	A	98.7	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.8	177.8	0	0	0	0	0	111	L329 L366 A369 E371 V372 F373 M421	L329-A344 HydrophobicContact CD2-CB 4.21Å; A344-L366 HydrophobicContact CB-CD2 4.13Å; A344-A369 HydrophobicContact CB-CB 3.62Å; A344-E371 PolarHBondContact N-O 3.41Å; A344-V372 HydrophobicContact CB-CG2 4.37Å; A344-V372 CarbonylContact O-C 3.5Å; A344-V372 WeakPolarHBondContact O-CA 3.46Å; A344-F373 PolarHBondContact O-N 3.21Å; A344-M421 HydrophobicContact CB-CE 3.93Å
345	V	98.6	Very high	90.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.8	177.1	-170.6	0	0	0	0	108.5	I343 F373 L404 V408 I418 L419 V420 M421 F426 I429	I343-V345 HydrophobicContact CG2-CG2 4.42Å; V345-F373 CarbonylContact C-O 3.47Å; V345-F373 VanDerWaalsContact CA-O 3.32Å; V345-F373 WeakPolarHBondContact CA-O 3.31Å; V345-F373 HydrophobicContact CG1-CB 4.31Å; V345-F373 HydrophobicContact CG2-CB 4.28Å; V345-L404 HydrophobicContact CG1-CD2 4.14Å; V345-V408 HydrophobicContact CG2-CG2 4.08Å; V345-I418 HydrophobicContact CG2-CG2 3.78Å; V345-L419 PolarHBondContact N-O 3.38Å; V345-V420 HydrophobicContact CB-CG2 4.25Å; V345-V420 CarbonylContact O-C 3.59Å; V345-V420 WeakPolarHBondContact O-CA 3.44Å; V345-M421 PolarHBondContact O-N 2.97Å; V345-F426 HydrophobicContact CG1-CE1 3.96Å; V345-F426 HydrophobicContact CG1-CZ 3.78Å; V345-I429 HydrophobicContact CG1-CD1 4.04Å
346	L	98	Very high	90.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	-170.3	179	67.5	0	0	0	112.4	I325 M353 L362 L366 F373 L374 L375 M421	I325-L346 HydrophobicContact CD1-CD1 3.8Å; I325-L346 HydrophobicContact CD1-CD2 3.93Å; I325-L346 HydrophobicContact CG1-CD1 4.38Å; L346-M353 HydrophobicContact CD1-CE 4.44Å; L346-L362 HydrophobicContact CD2-CD2 4.43Å; L346-L366 HydrophobicContact CD2-CD1 4.28Å; L346-L366 HydrophobicContact CD2-CD2 4.38Å; L346-F373 PolarHBondContact N-O 3.29Å; L346-L374 HydrophobicContact CB-CD2 3.86Å; L346-L374 HydrophobicContact CD2-CD2 4.16Å; L346-L374 HydrophobicContact CG-CD2 4.49Å; L346-L375 PolarHBondContact O-N 2.92Å; L346-L375 VanDerWaalsContact O-N 3.11Å; L346-M421 HydrophobicContact CD1-CB 3.76Å
347	E	95.2	Very high	89.5	Confident	18 Å²	18	38.5 Å²	38.5	8%	0.084	22%	0.224	C	C	.	.			trans	-104.7	108.8	168	-167.1	-170.6	173	0	0	110.2	R349 L375 M421 S422 F426	E347-R349 HydrophobicContact CG-CB 3.96Å; E347-R349 PolarHBondContact O-N 2.97Å; E347-R349 WeakPolarHBondContact OE1-CD 3.43Å; E347-R349 IonicContact OE1-CZ 3.41Å; E347-R349 IonicContact OE1-NE 2.69Å; E347-R349 IonicContact OE1-NH1 3.19Å; E347-R349 PolarHBondContact OE1-NH1 3.05Å; E347-R349 IonicContact OE2-NH1 3.71Å; E347-L375 HydrophobicContact CG-CD2 3.92Å; E347-M421 PolarHBondContact N-O 3.11Å; E347-S422 WeakPolarHBondContact OE2-CB 3.25Å; E347-S422 PolarHBondContact OE2-OG 2.99Å; E347-F426 HydrophobicContact CB-CD1 3.68Å; E347-F426 HydrophobicContact CB-CD2 4.18Å; E347-F426 HydrophobicContact CB-CE1 3.56Å; E347-F426 HydrophobicContact CB-CE2 4.07Å; E347-F426 HydrophobicContact CB-CG 3.99Å; E347-F426 HydrophobicContact CB-CZ 3.75Å; E347-F426 HydrophobicContact CG-CD2 4.37Å; E347-F426 HydrophobicContact CG-CE2 4.42Å; E347-F426 HydrophobicContact CG-CG 4.46Å; E347-F426 WeakPolarHBondContact OE2-CA 3.46Å; E347-F426 WeakPolarHBondContact OE2-CB 3.45Å; E347-F426 PolarHBondContact OE2-N 2.87Å
348	P	91.4	Very high	88.8	Confident	2 Å²	2	38 Å²	38	1%	0.013	22%	0.216	C	C	.	.			trans	-71.9	72.8	176.1	-17.3	32.2	0	0	0	112.7	M353 L375 W382 V384	P348-M353 HydrophobicContact CB-CB 4.36Å; P348-M353 HydrophobicContact CB-SD 4.22Å; P348-L375 VanDerWaalsContact CD-O 3.29Å; P348-L375 WeakPolarHBondContact CD-O 3.33Å; P348-W382 HydrophobicContact CB-CH2 3.76Å; P348-W382 HydrophobicContact CB-CZ2 3.93Å; P348-W382 HydrophobicContact CG-CH2 4.01Å; P348-V384 HydrophobicContact CG-CG1 4.18Å
349	R	85.7	Confident	88.8	Confident	97 Å²	97	36.3 Å²	36.3	37%	0.366	19%	0.188	S	C	.	.			trans	-105	-25	-166.9	-179	-175.5	-169.2	125.8	-2.4	115.4	E347 K354 N423	E347-R349 HydrophobicContact CG-CB 3.96Å; E347-R349 PolarHBondContact O-N 2.97Å; E347-R349 WeakPolarHBondContact OE1-CD 3.43Å; E347-R349 IonicContact OE1-CZ 3.41Å; E347-R349 IonicContact OE1-NE 2.69Å; E347-R349 IonicContact OE1-NH1 3.19Å; E347-R349 PolarHBondContact OE1-NH1 3.05Å; E347-R349 IonicContact OE2-NH1 3.71Å; R349-K354 WeakPolarHBondContact O-CD 3.32Å; R349-K354 WeakPolarHBondContact O-CE 3.47Å; R349-K354 PolarHBondContact O-NZ 3.44Å; R349-N423 WeakPolarHBondContact CB-OD1 3.44Å; R349-N423 WeakPolarHBondContact CD-OD1 3.46Å; R349-N423 VanDerWaalsContact CG-OD1 3.25Å; R349-N423 WeakPolarHBondContact CG-OD1 3.36Å
350	S	85.3	Confident	88.8	Confident	5 Å²	5	36.2 Å²	36.2	4%	0.035	18%	0.183	C	C	.	.	S	Bend	trans	-60.6	151.3	179.5	69.2	0	0	0	0	111.6	H320 T352 M353 K354 N423	H320-S350 PolarHBondContact O-OG 3.14Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 2.88Å; S350-M353 PolarHBondContact O-N 2.78Å; S350-M353 VanDerWaalsContact OG-CB 3.29Å; S350-M353 WeakPolarHBondContact OG-CB 3.42Å; S350-M353 VanDerWaalsContact OG-CG 3.27Å; S350-M353 WeakPolarHBondContact OG-CG 3.33Å; S350-M353 PolarHBondContact OG-N 2.71Å; S350-K354 WeakPolarHBondContact O-CB 3.09Å; S350-K354 WeakPolarHBondContact O-CG 3.26Å; S350-K354 PolarHBondContact O-N 3.06Å; S350-N423 WeakPolarHBondContact CA-ND2 3.22Å
351	N	81.2	Confident	88.7	Confident	70 Å²	70	39.5 Å²	39.5	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-59.1	-42.3	-179.6	-73.1	-18.4	0	0	0	111	D180 M353 K354 M355	D180-N351 HydrophobicContact CB-CB 4.09Å; D180-N351 PolarHBondContact OD2-ND2 3.23Å; N351-M353 PolarHBondContact O-N 3.15Å; N351-K354 PolarHBondContact O-N 3.34Å; N351-M355 WeakPolarHBondContact O-CG 3.2Å; N351-M355 PolarHBondContact O-N 2.89Å
352	T	80.8	Confident	88.4	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-46.6	174.6	-47.1	0	0	0	0	112.3	D177 H178 A179 S350 M355 G356	D177-T352 WeakPolarHBondContact OD1-CB 3.46Å; D177-T352 PolarHBondContact OD1-OG1 2.88Å; H178-T352 PolarHBondContact N-OG1 3.07Å; A179-T352 HydrophobicContact CB-CG2 4.47Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 2.88Å; T352-M355 PolarHBondContact O-N 3.23Å; T352-G356 PolarHBondContact O-N 3.42Å
353	M	85.5	Confident	88.3	Confident	6 Å²	6	37 Å²	37	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-45.5	174.8	-80.7	177.1	165.9	0	0	111.8	H320 I325 L346 P348 S350 N351 M355 G356 L362 W382	H320-M353 WeakPolarHBondContact O-CE 3.34Å; I325-M353 HydrophobicContact CD1-CE 3.5Å; L346-M353 HydrophobicContact CD1-CE 4.44Å; P348-M353 HydrophobicContact CB-CB 4.36Å; P348-M353 HydrophobicContact CB-SD 4.22Å; S350-M353 PolarHBondContact O-N 2.78Å; S350-M353 VanDerWaalsContact OG-CB 3.29Å; S350-M353 WeakPolarHBondContact OG-CB 3.42Å; S350-M353 VanDerWaalsContact OG-CG 3.27Å; S350-M353 WeakPolarHBondContact OG-CG 3.33Å; S350-M353 PolarHBondContact OG-N 2.71Å; N351-M353 PolarHBondContact O-N 3.15Å; M353-M355 PolarHBondContact O-N 2.71Å; M353-G356 WeakPolarHBondContact O-CA 3.49Å; M353-G356 PolarHBondContact O-N 3.3Å; M353-L362 HydrophobicContact CE-CD2 3.44Å; M353-L362 VanDerWaalsContact CE-CD2 3.44Å; M353-W382 VanDerWaalsContact O-CE2 3.32Å; M353-W382 VanDerWaalsContact O-CZ2 3.25Å; M353-W382 WeakPolarHBondContact O-CZ2 3.43Å; M353-W382 PolarHBondContact O-NE1 3.07Å
354	K	84	Confident	88.2	Confident	78 Å²	78	41.1 Å²	41.1	34%	0.339	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-33.3	179.2	-73.6	178.1	172.2	168.4	0	112	R349 S350 N351 G356 I380 P381 W382	R349-K354 WeakPolarHBondContact O-CD 3.32Å; R349-K354 WeakPolarHBondContact O-CE 3.47Å; R349-K354 PolarHBondContact O-NZ 3.44Å; S350-K354 WeakPolarHBondContact O-CB 3.09Å; S350-K354 WeakPolarHBondContact O-CG 3.26Å; S350-K354 PolarHBondContact O-N 3.06Å; N351-K354 PolarHBondContact O-N 3.34Å; K354-G356 VanDerWaalsContact C-N 3.28Å; K354-G356 PolarHBondContact O-N 3.33Å; K354-I380 HydrophobicContact CB-CG2 4.02Å; K354-I380 HydrophobicContact CG-CG2 3.75Å; K354-P381 WeakPolarHBondContact O-CD 3.38Å; K354-W382 PolarHBondContact O-NE1 3.1Å
355	M	82.2	Confident	88.1	Confident	103 Å²	103	41.3 Å²	41.3	51%	0.507	22%	0.218	S	C	.	.	H	α-helix	trans	-75.4	-13.8	175.2	-68.8	172.7	72.1	0	0	113.7	A179 N351 T352 M353 I357	A179-M355 HydrophobicContact CB-CE 4.27Å; A179-M355 HydrophobicContact CB-SD 3.93Å; N351-M355 WeakPolarHBondContact O-CG 3.2Å; N351-M355 PolarHBondContact O-N 2.89Å; T352-M355 PolarHBondContact O-N 3.23Å; M353-M355 PolarHBondContact O-N 2.71Å; M355-I357 HydrophobicContact CB-CD1 4.14Å; M355-I357 HydrophobicContact CB-CG1 4.07Å; M355-I357 HydrophobicContact CE-CD1 4.22Å
356	G	80.2	Confident	88.1	Confident	21 Å²	21	41.3 Å²	41.3	22%	0.216	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	13	175.3	0	0	0	0	0	115.1	T352 M353 K354 C358 K359 W382	T352-G356 PolarHBondContact O-N 3.42Å; M353-G356 WeakPolarHBondContact O-CA 3.49Å; M353-G356 PolarHBondContact O-N 3.3Å; K354-G356 VanDerWaalsContact C-N 3.28Å; K354-G356 PolarHBondContact O-N 3.33Å; G356-C358 VanDerWaalsContact C-N 3.34Å; G356-C358 PolarHBondContact O-N 2.98Å; G356-K359 WeakPolarHBondContact O-CB 3.48Å; G356-K359 PolarHBondContact O-N 3.32Å; G356-W382 VanDerWaalsContact CA-CD1 3.48Å
357	I	76.9	Confident	88	Confident	81 Å²	81	43.1 Å²	43.1	42%	0.415	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.2	-173.1	-63.1	175.1	0	0	0	112.1	F176 A179 M355	F176-I357 HydrophobicContact CD1-CG2 4.25Å; F176-I357 HydrophobicContact CE1-CD1 3.99Å; F176-I357 HydrophobicContact CE1-CG2 4.04Å; A179-I357 HydrophobicContact CB-CD1 3.31Å; M355-I357 HydrophobicContact CB-CD1 4.14Å; M355-I357 HydrophobicContact CB-CG1 4.07Å; M355-I357 HydrophobicContact CE-CD1 4.22Å
358	C	77.7	Confident	87.9	Confident	18 Å²	18	49 Å²	49	12%	0.122	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	24.7	179.6	-52.8	0	0	0	0	112.4	P322 G356 D360 D361 L362	P322-C358 HydrophobicContact CG-CB 3.85Å; G356-C358 VanDerWaalsContact C-N 3.34Å; G356-C358 PolarHBondContact O-N 2.98Å; C358-D360 VanDerWaalsContact C-N 3.28Å; C358-D360 PolarHBondContact O-N 2.79Å; C358-D361 PolarHBondContact O-N 2.85Å; C358-D361 VanDerWaalsContact O-N 3.15Å; C358-L362 PolarHBondContact O-N 3.22Å
359	K	84.8	Confident	88.2	Confident	35 Å²	35	49.1 Å²	49.1	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-43.9	-175.8	177	-173.2	167.3	-171.8	0	111.8	G356 D361 L362 W382 E386 V387	G356-K359 WeakPolarHBondContact O-CB 3.48Å; G356-K359 PolarHBondContact O-N 3.32Å; K359-D361 PolarHBondContact O-N 3.5Å; K359-L362 WeakPolarHBondContact O-CB 3Å; K359-L362 PolarHBondContact O-N 3.48Å; K359-W382 HydrophobicContact CD-CB 3.99Å; K359-W382 HydrophobicContact CD-CD2 4.14Å; K359-W382 HydrophobicContact CD-CE3 4.04Å; K359-W382 HydrophobicContact CD-CG 4.14Å; K359-W382 HydrophobicContact CG-CD2 4.33Å; K359-W382 HydrophobicContact CG-CE3 4.05Å; K359-W382 HydrophobicContact CG-CZ3 4.44Å; K359-E386 IonicContact NZ-OE1 2.65Å; K359-E386 PolarHBondContact NZ-OE1 2.91Å; K359-E386 IonicContact NZ-OE2 2.9Å; K359-E386 PolarHBondContact NZ-OE2 2.94Å; K359-V387 HydrophobicContact CG-CG2 3.95Å
360	D	88.6	Confident	88.9	Confident	138 Å²	138	47.4 Å²	47.4	74%	0.738	26%	0.257	S	S	*	.	H	α-helix	trans	-70.2	-18.7	-176.1	-61	-24.9	0	0	0	112.8	C358 P364	C358-D360 VanDerWaalsContact C-N 3.28Å; C358-D360 PolarHBondContact O-N 2.79Å; D360-P364 VanDerWaalsContact O-CD 3.28Å; D360-P364 WeakPolarHBondContact O-CD 3.28Å
361	D	91.7	Very high	89.5	Confident	90 Å²	90	48.2 Å²	48.2	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-90	-12.7	177.7	-59.6	-51.2	0	0	0	113.1	P322 C358 K359 P364 S365	P322-D361 HydrophobicContact CB-CB 3.89Å; P322-D361 HydrophobicContact CG-CB 3.79Å; C358-D361 PolarHBondContact O-N 2.85Å; C358-D361 VanDerWaalsContact O-N 3.15Å; K359-D361 PolarHBondContact O-N 3.5Å; D361-P364 WeakPolarHBondContact O-CD 3.11Å; D361-S365 WeakPolarHBondContact O-CB 3.43Å; D361-S365 PolarHBondContact O-N 3.47Å; D361-S365 VanDerWaalsContact O-N 3.08Å
362	L	93.5	Very high	90.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-51.1	-178.1	-72.5	174.8	0	0	0	112.2	P322 I325 L346 M353 C358 K359 S365 L366 W382 V387	P322-L362 HydrophobicContact CG-CD2 4.2Å; I325-L362 HydrophobicContact CD1-CD2 4.15Å; L346-L362 HydrophobicContact CD2-CD2 4.43Å; M353-L362 HydrophobicContact CE-CD2 3.44Å; M353-L362 VanDerWaalsContact CE-CD2 3.44Å; C358-L362 PolarHBondContact O-N 3.22Å; K359-L362 WeakPolarHBondContact O-CB 3Å; K359-L362 PolarHBondContact O-N 3.48Å; L362-S365 PolarHBondContact O-N 2.88Å; L362-S365 VanDerWaalsContact O-N 3.13Å; L362-S365 PolarHBondContact O-OG 2.86Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.99Å; L362-W382 HydrophobicContact CD1-CH2 3.73Å; L362-W382 HydrophobicContact CD1-CZ2 4.37Å; L362-W382 HydrophobicContact CD1-CZ3 4.31Å; L362-V387 HydrophobicContact CB-CG1 3.74Å; L362-V387 HydrophobicContact CB-CG2 4.47Å; L362-V387 HydrophobicContact CD1-CG2 4.22Å
363	A	95.6	Very high	91.2	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-46.9	-179.3	0	0	0	0	0	112.4	S365 L366 G367 V387 A390	A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.49Å; A363-L366 PolarHBondContact O-N 2.67Å; A363-L366 VanDerWaalsContact O-N 3.14Å; A363-G367 PolarHBondContact O-N 3.11Å; A363-V387 HydrophobicContact CB-CG1 4.14Å; A363-A390 HydrophobicContact CB-CB 3.74Å
364	P	96.8	Very high	91.8	Very high	87 Å²	87	44.6 Å²	44.6	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-55.5	-40.3	171.1	-27.8	34.5	0	0	0	114	D360 D361 L366 G367	D360-P364 VanDerWaalsContact O-CD 3.28Å; D360-P364 WeakPolarHBondContact O-CD 3.28Å; D361-P364 WeakPolarHBondContact O-CD 3.11Å; P364-L366 PolarHBondContact O-N 2.85Å; P364-G367 PolarHBondContact O-N 2.92Å
365	S	96.6	Very high	92.4	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-25.6	179.8	75.7	0	0	0	0	113.7	P322 I325 D361 L362 A363	P322-S365 VanDerWaalsContact O-CB 3.29Å; P322-S365 WeakPolarHBondContact O-CB 3.34Å; I325-S365 WeakPolarHBondContact CG2-OG 3.35Å; D361-S365 WeakPolarHBondContact O-CB 3.43Å; D361-S365 PolarHBondContact O-N 3.47Å; D361-S365 VanDerWaalsContact O-N 3.08Å; L362-S365 PolarHBondContact O-N 2.88Å; L362-S365 VanDerWaalsContact O-N 3.13Å; L362-S365 PolarHBondContact O-OG 2.86Å; A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.49Å
366	L	98	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-86.3	-8.2	179.6	-67.9	164.9	0	0	0	113.6	I325 L329 A344 L346 L362 A363 P364 R368 A369 V372 L374 Q393 M421	I325-L366 HydrophobicContact CG2-CD2 3.83Å; I325-L366 HydrophobicContact CG2-CG 4.32Å; L329-L366 HydrophobicContact CD1-CD2 4.21Å; A344-L366 HydrophobicContact CB-CD2 4.13Å; L346-L366 HydrophobicContact CD2-CD1 4.28Å; L346-L366 HydrophobicContact CD2-CD2 4.38Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.99Å; A363-L366 PolarHBondContact O-N 2.67Å; A363-L366 VanDerWaalsContact O-N 3.14Å; P364-L366 PolarHBondContact O-N 2.85Å; L366-R368 PolarHBondContact O-N 3.2Å; L366-A369 WeakPolarHBondContact O-CB 3.22Å; L366-A369 PolarHBondContact O-N 2.66Å; L366-V372 HydrophobicContact CB-CG2 4.13Å; L366-V372 HydrophobicContact CD1-CG1 3.97Å; L366-L374 HydrophobicContact CD1-CD2 4.07Å; L366-Q393 PolarHBondContact O-NE2 2.92Å; L366-M421 HydrophobicContact CD2-CE 3.98Å
367	G	95.5	Very high	93.5	Very high	38 Å²	38	37.8 Å²	37.8	39%	0.392	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	4.2	-171.3	0	0	0	0	0	116.7	A363 P364	A363-G367 PolarHBondContact O-N 3.11Å; P364-G367 PolarHBondContact O-N 2.92Å
368	R	94.8	Very high	93.7	Very high	141 Å²	141	38 Å²	38	53%	0.532	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-11.3	171.6	-66.5	-60.7	-173.2	176	0.2	113.3	L326 L329 R333 L366	L326-R368 HydrophobicContact CD1-CG 3.92Å; L329-R368 HydrophobicContact CB-CB 3.82Å; R333-R368 PolarHBondContact NH2-O 2.85Å; L366-R368 PolarHBondContact O-N 3.2Å
369	A	97.8	Very high	93.6	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	25%	0.254	C	S	.	.	S	Bend	trans	-81.7	150.4	171.5	0	0	0	0	0	110.7	L329 I342 A344 L366 V372	L329-A369 HydrophobicContact CD2-CB 4.23Å; I342-A369 HydrophobicContact CG2-CB 4.46Å; A344-A369 HydrophobicContact CB-CB 3.62Å; L366-A369 WeakPolarHBondContact O-CB 3.22Å; L366-A369 PolarHBondContact O-N 2.66Å; A369-V372 HydrophobicContact CB-CG2 4.16Å
370	D	98.4	Very high	93.6	Very high	62 Å²	62	45 Å²	45	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-87	-22.2	174.7	-58.1	-77.3	0	0	0	111.5	R333 R341 I342	R333-D370 IonicContact CZ-OD2 3.72Å; R333-D370 IonicContact NH1-OD2 2.92Å; R333-D370 IonicContact NH2-OD1 3.39Å; R333-D370 IonicContact NH2-OD2 3.9Å; R333-D370 PolarHBondContact NH2-OD2 3.21Å; R341-D370 VanDerWaalsContact CA-OD2 3.24Å; R341-D370 WeakPolarHBondContact CA-OD2 3.47Å; R341-D370 HydrophobicContact CB-CB 4.33Å; R341-D370 HydrophobicContact CG-CB 4.32Å; I342-D370 PolarHBondContact N-OD2 3.42Å; I342-D370 PolarHBondContact O-N 3.13Å
371	E	98.3	Very high	93.5	Very high	21 Å²	21	43.6 Å²	43.6	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.9	176.3	-163.8	152.5	-170.2	0	0	110.6	R341 I342 I343 A344 F373 P394 H396 T411	R341-E371 IonicContact NH2-OE2 3.38Å; R341-E371 PolarHBondContact NH2-OE2 3.08Å; I342-E371 PolarHBondContact O-N 3.27Å; I343-E371 WeakPolarHBondContact CA-O 3.29Å; I343-E371 HydrophobicContact CG1-CB 4.47Å; A344-E371 PolarHBondContact N-O 3.41Å; E371-F373 HydrophobicContact CG-CE2 3.93Å; E371-F373 HydrophobicContact CG-CZ 4.43Å; E371-P394 WeakPolarHBondContact CA-O 3.42Å; E371-P394 HydrophobicContact CG-CB 4.24Å; E371-H396 IonicContact OE1-CD2 2.65Å; E371-H396 IonicContact OE1-CE1 3.5Å; E371-H396 IonicContact OE1-NE2 3.61Å; E371-H396 PolarHBondContact OE1-NE2 3.14Å; E371-T411 HydrophobicContact CG-CG2 4.47Å; E371-T411 WeakPolarHBondContact OE1-CG2 3.35Å; E371-T411 WeakPolarHBondContact OE2-CG2 3.16Å
372	V	98.8	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.4	-172.5	172.5	0	0	0	0	111.6	A344 L366 A369 L374 Q393 P394 A395 H396	A344-V372 HydrophobicContact CB-CG2 4.37Å; A344-V372 CarbonylContact O-C 3.5Å; A344-V372 WeakPolarHBondContact O-CA 3.46Å; L366-V372 HydrophobicContact CB-CG2 4.13Å; L366-V372 HydrophobicContact CD1-CG1 3.97Å; A369-V372 HydrophobicContact CB-CG2 4.16Å; V372-L374 HydrophobicContact CG1-CD1 4.43Å; V372-L374 HydrophobicContact CG1-CD2 3.53Å; V372-L374 HydrophobicContact CG1-CG 3.78Å; V372-Q393 HydrophobicContact CG2-CG 4Å; V372-P394 PolarHBondContact N-O 3.09Å; V372-A395 HydrophobicContact CB-CB 3.97Å; V372-A395 HydrophobicContact CG1-CB 4.31Å; V372-A395 CarbonylContact O-C 3.43Å; V372-A395 WeakPolarHBondContact O-CA 3.43Å; V372-H396 PolarHBondContact O-N 3.33Å
373	F	98.7	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.8	172.3	-67.9	-92.2	0	0	0	110	I343 A344 V345 L346 E371 H396 L404 M407 V408 T411	I343-F373 HydrophobicContact CG2-CD2 3.51Å; I343-F373 HydrophobicContact CG2-CE2 3.56Å; A344-F373 PolarHBondContact O-N 3.21Å; V345-F373 CarbonylContact C-O 3.47Å; V345-F373 VanDerWaalsContact CA-O 3.32Å; V345-F373 WeakPolarHBondContact CA-O 3.31Å; V345-F373 HydrophobicContact CG1-CB 4.31Å; V345-F373 HydrophobicContact CG2-CB 4.28Å; L346-F373 PolarHBondContact N-O 3.29Å; E371-F373 HydrophobicContact CG-CE2 3.93Å; E371-F373 HydrophobicContact CG-CZ 4.43Å; F373-H396 CarbonylContact C-O 3.59Å; F373-H396 WeakPolarHBondContact CA-O 3.43Å; F373-H396 HydrophobicContact CD1-CB 3.86Å; F373-H396 HydrophobicContact CE1-CB 3.88Å; F373-H396 AromaticContact CE1-CD2 3.49Å; F373-H396 VanDerWaalsContact CE1-CD2 3.49Å; F373-H396 WeakPolarHBondContact CE1-CD2 3.43Å; F373-H396 AromaticContact CE1-CG 3.91Å; F373-H396 AromaticContact CZ-CD2 3.56Å; F373-L404 HydrophobicContact CB-CD1 4.02Å; F373-L404 HydrophobicContact CB-CG 4.39Å; F373-L404 HydrophobicContact CD1-CD1 4.29Å; F373-M407 HydrophobicContact CD1-CB 4.18Å; F373-M407 HydrophobicContact CE1-CB 3.74Å; F373-V408 HydrophobicContact CB-CG2 3.99Å; F373-V408 HydrophobicContact CD1-CG2 3.73Å; F373-V408 HydrophobicContact CD2-CG2 3.67Å; F373-V408 HydrophobicContact CE1-CG2 4.1Å; F373-V408 HydrophobicContact CE2-CG2 4.03Å; F373-V408 HydrophobicContact CG-CG2 3.5Å; F373-V408 HydrophobicContact CZ-CG2 4.23Å; F373-T411 HydrophobicContact CE2-CG2 4.34Å; F373-T411 HydrophobicContact CZ-CG2 4.03Å
374	L	98.1	Very high	93.2	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.7	-176.6	-54.8	179.3	0	0	0	110.8	L346 L366 V372 V384 V387 A388 H396 W397 S398	L346-L374 HydrophobicContact CB-CD2 3.86Å; L346-L374 HydrophobicContact CD2-CD2 4.16Å; L346-L374 HydrophobicContact CG-CD2 4.49Å; L366-L374 HydrophobicContact CD1-CD2 4.07Å; V372-L374 HydrophobicContact CG1-CD1 4.43Å; V372-L374 HydrophobicContact CG1-CD2 3.53Å; V372-L374 HydrophobicContact CG1-CG 3.78Å; L374-V384 HydrophobicContact CB-CB 4.25Å; L374-V384 HydrophobicContact CB-CG2 4.26Å; L374-V384 HydrophobicContact CD1-CB 4.35Å; L374-V387 HydrophobicContact CD1-CB 4.07Å; L374-V387 HydrophobicContact CD1-CG1 3.97Å; L374-A388 HydrophobicContact CD1-CB 4.18Å; L374-H396 PolarHBondContact N-O 3.3Å; L374-W397 HydrophobicContact CB-CB 4.16Å; L374-W397 WeakPolarHBondContact O-CA 3.46Å; L374-W397 WeakPolarHBondContact O-CB 3.39Å; L374-S398 PolarHBondContact O-N 2.83Å; L374-S398 VanDerWaalsContact O-N 3.17Å
375	L	97	Very high	93.1	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.1	167.4	-172.6	72.2	0	0	0	109.8	L346 E347 P348 P377 V401 L404 F426	L346-L375 PolarHBondContact O-N 2.92Å; L346-L375 VanDerWaalsContact O-N 3.11Å; E347-L375 HydrophobicContact CG-CD2 3.92Å; P348-L375 VanDerWaalsContact CD-O 3.29Å; P348-L375 WeakPolarHBondContact CD-O 3.33Å; L375-P377 VanDerWaalsContact O-CD 3.25Å; L375-P377 WeakPolarHBondContact O-CD 3.49Å; L375-V401 HydrophobicContact CD1-CG2 3.76Å; L375-V401 HydrophobicContact CD2-CG2 4.01Å; L375-L404 HydrophobicContact CB-CD2 4.11Å; L375-L404 HydrophobicContact CD1-CD2 4.3Å; L375-F426 HydrophobicContact CB-CE2 3.91Å; L375-F426 HydrophobicContact CB-CZ 4.12Å; L375-F426 HydrophobicContact CD2-CD2 4.35Å; L375-F426 HydrophobicContact CD2-CE2 3.93Å; L375-F426 HydrophobicContact CG-CE2 4.38Å
376	Q	95.5	Very high	93	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.107	25%	0.247	C	C	.	.			trans	-89	103.8	167.1	175.3	62.9	60	0	0	109.5	V384 W397 S398	Q376-V384 HydrophobicContact CB-CG2 3.73Å; Q376-V384 HydrophobicContact CG-CG2 4.46Å; Q376-W397 HydrophobicContact CB-CE3 3.97Å; Q376-W397 HydrophobicContact CB-CZ3 4.23Å; Q376-W397 HydrophobicContact CG-CZ3 4.43Å; Q376-S398 PolarHBondContact N-O 2.86Å
377	P	89.7	Confident	92.9	Very high	23 Å²	23	45.5 Å²	45.5	15%	0.149	25%	0.249	C	C	.	.			trans	-69	149.9	176.6	-14.6	31.3	0	0	0	111.1	L375 H379 I380	L375-P377 VanDerWaalsContact O-CD 3.25Å; L375-P377 WeakPolarHBondContact O-CD 3.49Å; P377-H379 PolarHBondContact O-N 3.25Å; P377-I380 HydrophobicContact CB-CG2 4.19Å; P377-I380 HydrophobicContact CG-CD1 4.38Å; P377-I380 HydrophobicContact CG-CG2 4.19Å
378	A	81.4	Confident	92.9	Very high	87 Å²	87	44.2 Å²	44.2	72%	0.719	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	-172.3	0	0	0	0	0	115.6
379	H	77	Confident	92.9	Very high	181 Å²	181	45.3 Å²	45.3	84%	0.838	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-145.7	50.3	-169	-55.3	-55.8	0	0	0	113.6	P377	P377-H379 PolarHBondContact O-N 3.25Å
380	I	84.6	Confident	92.9	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.092	27%	0.269	C	S	.	.			trans	-106.4	146.1	167.3	57.5	163.8	0	0	0	110.3	K354 P377 W382 V384	K354-I380 HydrophobicContact CB-CG2 4.02Å; K354-I380 HydrophobicContact CG-CG2 3.75Å; P377-I380 HydrophobicContact CB-CG2 4.19Å; P377-I380 HydrophobicContact CG-CD1 4.38Å; P377-I380 HydrophobicContact CG-CG2 4.19Å; I380-W382 HydrophobicContact CD1-CD2 3.83Å; I380-W382 HydrophobicContact CD1-CE3 4.06Å; I380-W382 HydrophobicContact CD1-CG 4.43Å; I380-W382 HydrophobicContact CD1-CH2 4.08Å; I380-W382 HydrophobicContact CD1-CZ2 3.84Å; I380-W382 HydrophobicContact CD1-CZ3 4.18Å; I380-W382 VanDerWaalsContact CD1-O 3.25Å; I380-W382 WeakPolarHBondContact CD1-O 3.4Å; I380-W382 WeakPolarHBondContact CG1-O 3.28Å; I380-W382 PolarHBondContact O-N 2.59Å; I380-V384 HydrophobicContact CD1-CG1 3.97Å
381	P	85.4	Confident	92.8	Very high	109 Å²	109	46 Å²	46	71%	0.708	26%	0.259	S	S	*	.	S	Bend	trans	-79	2.1	-175.1	32.9	-31.8	0	0	0	113.7	K354	K354-P381 WeakPolarHBondContact O-CD 3.38Å
382	W	90	Very high	92.7	Very high	17 Å²	17	51.5 Å²	51.5	6%	0.064	29%	0.293	C	S	.	.	S	Bend	trans	-133.1	158.5	-178.3	55.7	-89.7	0	0	0	110.6	P348 M353 K354 G356 K359 L362 I380 V384 V387	P348-W382 HydrophobicContact CB-CH2 3.76Å; P348-W382 HydrophobicContact CB-CZ2 3.93Å; P348-W382 HydrophobicContact CG-CH2 4.01Å; M353-W382 VanDerWaalsContact O-CE2 3.32Å; M353-W382 VanDerWaalsContact O-CZ2 3.25Å; M353-W382 WeakPolarHBondContact O-CZ2 3.43Å; M353-W382 PolarHBondContact O-NE1 3.07Å; K354-W382 PolarHBondContact O-NE1 3.1Å; G356-W382 VanDerWaalsContact CA-CD1 3.48Å; K359-W382 HydrophobicContact CD-CB 3.99Å; K359-W382 HydrophobicContact CD-CD2 4.14Å; K359-W382 HydrophobicContact CD-CE3 4.04Å; K359-W382 HydrophobicContact CD-CG 4.14Å; K359-W382 HydrophobicContact CG-CD2 4.33Å; K359-W382 HydrophobicContact CG-CE3 4.05Å; K359-W382 HydrophobicContact CG-CZ3 4.44Å; L362-W382 HydrophobicContact CD1-CH2 3.73Å; L362-W382 HydrophobicContact CD1-CZ2 4.37Å; L362-W382 HydrophobicContact CD1-CZ3 4.31Å; I380-W382 HydrophobicContact CD1-CD2 3.83Å; I380-W382 HydrophobicContact CD1-CE3 4.06Å; I380-W382 HydrophobicContact CD1-CG 4.43Å; I380-W382 HydrophobicContact CD1-CH2 4.08Å; I380-W382 HydrophobicContact CD1-CZ2 3.84Å; I380-W382 HydrophobicContact CD1-CZ3 4.18Å; I380-W382 VanDerWaalsContact CD1-O 3.25Å; I380-W382 WeakPolarHBondContact CD1-O 3.4Å; I380-W382 WeakPolarHBondContact CG1-O 3.28Å; I380-W382 PolarHBondContact O-N 2.59Å; W382-V384 HydrophobicContact CE3-CG1 4.47Å; W382-V384 HydrophobicContact CH2-CG1 4.13Å; W382-V384 HydrophobicContact CZ3-CB 4.33Å; W382-V384 HydrophobicContact CZ3-CG1 3.75Å; W382-V387 HydrophobicContact CE3-CG2 4.31Å; W382-V387 HydrophobicContact CZ3-CG2 3.73Å
383	Q	92.2	Very high	92.6	Very high	96 Å²	96	52.5 Å²	52.5	45%	0.449	30%	0.298	S	S	.	.			trans	-96.7	130.3	-178.2	-64.1	-64.5	-41.5	0	0	110.8	A385 E386	Q383-A385 HydrophobicContact CB-CB 4.42Å; Q383-A385 PolarHBondContact O-N 3.23Å; Q383-E386 HydrophobicContact CB-CG 4.3Å; Q383-E386 PolarHBondContact O-N 3.1Å
384	V	93.5	Very high	92.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-21.6	173.8	-55	0	0	0	0	112.1	P348 L374 Q376 I380 W382 E386 V387 A388 W397	P348-V384 HydrophobicContact CG-CG1 4.18Å; L374-V384 HydrophobicContact CB-CB 4.25Å; L374-V384 HydrophobicContact CB-CG2 4.26Å; L374-V384 HydrophobicContact CD1-CB 4.35Å; Q376-V384 HydrophobicContact CB-CG2 3.73Å; Q376-V384 HydrophobicContact CG-CG2 4.46Å; I380-V384 HydrophobicContact CD1-CG1 3.97Å; W382-V384 HydrophobicContact CE3-CG1 4.47Å; W382-V384 HydrophobicContact CH2-CG1 4.13Å; W382-V384 HydrophobicContact CZ3-CB 4.33Å; W382-V384 HydrophobicContact CZ3-CG1 3.75Å; V384-E386 PolarHBondContact O-N 2.91Å; V384-V387 WeakPolarHBondContact O-CB 2.92Å; V384-V387 PolarHBondContact O-N 3.09Å; V384-A388 PolarHBondContact O-N 3.48Å; V384-W397 HydrophobicContact CG2-CB 3.71Å; V384-W397 HydrophobicContact CG2-CD2 4.18Å; V384-W397 HydrophobicContact CG2-CE3 4.18Å; V384-W397 HydrophobicContact CG2-CG 4Å
385	A	94.1	Very high	92.5	Very high	17 Å²	17	57.2 Å²	57.2	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-39	172.9	0	0	0	0	0	112	Q383 V387 A388 E389 W397	Q383-A385 HydrophobicContact CB-CB 4.42Å; Q383-A385 PolarHBondContact O-N 3.23Å; A385-V387 VanDerWaalsContact C-N 3.29Å; A385-V387 PolarHBondContact O-N 3.26Å; A385-A388 WeakPolarHBondContact O-CB 3.3Å; A385-A388 PolarHBondContact O-N 3.34Å; A385-E389 WeakPolarHBondContact O-CG 3.32Å; A385-E389 PolarHBondContact O-N 3.26Å; A385-W397 HydrophobicContact CB-CZ2 4.23Å
386	E	94.3	Very high	92.6	Very high	96 Å²	96	59.5 Å²	59.5	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-33	177.6	-62.5	175.2	-107	0	0	112	K359 Q383 V384 A390	K359-E386 IonicContact NZ-OE1 2.65Å; K359-E386 PolarHBondContact NZ-OE1 2.91Å; K359-E386 IonicContact NZ-OE2 2.9Å; K359-E386 PolarHBondContact NZ-OE2 2.94Å; Q383-E386 HydrophobicContact CB-CG 4.3Å; Q383-E386 PolarHBondContact O-N 3.1Å; V384-E386 PolarHBondContact O-N 2.91Å; E386-A390 WeakPolarHBondContact O-CB 3.27Å; E386-A390 PolarHBondContact O-N 3.14Å
387	V	94.9	Very high	92.7	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-72.5	-40	174	180	0	0	0	0	110.4	K359 L362 A363 L374 W382 V384 A385 A390 C391	K359-V387 HydrophobicContact CG-CG2 3.95Å; L362-V387 HydrophobicContact CB-CG1 3.74Å; L362-V387 HydrophobicContact CB-CG2 4.47Å; L362-V387 HydrophobicContact CD1-CG2 4.22Å; A363-V387 HydrophobicContact CB-CG1 4.14Å; L374-V387 HydrophobicContact CD1-CB 4.07Å; L374-V387 HydrophobicContact CD1-CG1 3.97Å; W382-V387 HydrophobicContact CE3-CG2 4.31Å; W382-V387 HydrophobicContact CZ3-CG2 3.73Å; V384-V387 WeakPolarHBondContact O-CB 2.92Å; V384-V387 PolarHBondContact O-N 3.09Å; A385-V387 VanDerWaalsContact C-N 3.29Å; A385-V387 PolarHBondContact O-N 3.26Å; V387-A390 PolarHBondContact O-N 2.78Å; V387-C391 PolarHBondContact O-N 3.46Å; V387-C391 PolarHBondContact O-SG 2.82Å
388	A	95.8	Very high	93	Very high	11 Å²	11	63.3 Å²	63.3	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-44	175.2	0	0	0	0	0	111.5	L374 V384 A385 A390 C391 A395	L374-A388 HydrophobicContact CD1-CB 4.18Å; V384-A388 PolarHBondContact O-N 3.48Å; A385-A388 WeakPolarHBondContact O-CB 3.3Å; A385-A388 PolarHBondContact O-N 3.34Å; A388-A390 VanDerWaalsContact C-N 3.27Å; A388-A390 PolarHBondContact O-N 2.92Å; A388-C391 WeakPolarHBondContact O-CB 3.46Å; A388-C391 PolarHBondContact O-N 2.76Å; A388-C391 VanDerWaalsContact O-N 3.16Å; A388-A395 HydrophobicContact CB-CB 3.85Å
389	E	95.9	Very high	93.6	Very high	163 Å²	163	61.8 Å²	61.8	76%	0.762	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-30.2	176.5	-73.9	173.7	-169.7	0	0	113.1	A385	A385-E389 WeakPolarHBondContact O-CG 3.32Å; A385-E389 PolarHBondContact O-N 3.26Å
390	A	96.6	Very high	94.4	Very high	64 Å²	64	56.6 Å²	56.6	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-81.9	-9.2	176.7	0	0	0	0	0	114	A363 E386 V387 A388	A363-A390 HydrophobicContact CB-CB 3.74Å; E386-A390 WeakPolarHBondContact O-CB 3.27Å; E386-A390 PolarHBondContact O-N 3.14Å; V387-A390 PolarHBondContact O-N 2.78Å; A388-A390 VanDerWaalsContact C-N 3.27Å; A388-A390 PolarHBondContact O-N 2.92Å
391	C	97.5	Very high	94.8	Very high	17 Å²	17	57 Å²	57	12%	0.115	33%	0.328	C	S	.	.			trans	-71.9	142.4	176.5	-71.2	0	0	0	0	111.1	V387 A388 A395	V387-C391 PolarHBondContact O-N 3.46Å; V387-C391 PolarHBondContact O-SG 2.82Å; A388-C391 WeakPolarHBondContact O-CB 3.46Å; A388-C391 PolarHBondContact O-N 2.76Å; A388-C391 VanDerWaalsContact O-N 3.16Å; C391-A395 HydrophobicContact CB-CB 3.77Å
392	V	95.3	Very high	95.2	Very high	137 Å²	137	55.5 Å²	55.5	83%	0.83	31%	0.314	S	S	*	.	S	Bend	trans	-80.9	-23.8	178.8	-63.4	0	0	0	0	112.9
393	Q	96.4	Very high	95.3	Very high	22 Å²	22	57.8 Å²	57.8	10%	0.103	33%	0.33	C	S	.	.	S	Bend	trans	-97.9	163.8	175.1	66.1	-77.9	-5.1	0	0	111.1	L366 V372 A395	L366-Q393 PolarHBondContact O-NE2 2.92Å; V372-Q393 HydrophobicContact CG2-CG 4Å; Q393-A395 PolarHBondContact O-N 3.35Å
394	P	97.8	Very high	95.6	Very high	77 Å²	77	53.2 Å²	53.2	50%	0.5	31%	0.308	S	S	.	.			trans	-52.5	129.3	172.3	-25.3	35.1	0	0	0	111.3	E371 V372	E371-P394 WeakPolarHBondContact CA-O 3.42Å; E371-P394 HydrophobicContact CG-CB 4.24Å; V372-P394 PolarHBondContact N-O 3.09Å
395	A	98.2	Very high	95.7	Very high	24 Å²	24	53.3 Å²	53.3	20%	0.198	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.7	-178.2	0	0	0	0	0	110	V372 A388 C391 Q393	V372-A395 HydrophobicContact CB-CB 3.97Å; V372-A395 HydrophobicContact CG1-CB 4.31Å; V372-A395 CarbonylContact O-C 3.43Å; V372-A395 WeakPolarHBondContact O-CA 3.43Å; A388-A395 HydrophobicContact CB-CB 3.85Å; C391-A395 HydrophobicContact CB-CB 3.77Å; Q393-A395 PolarHBondContact O-N 3.35Å
396	H	98.2	Very high	95.6	Very high	61 Å²	61	56.1 Å²	56.1	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.8	-177.4	-46	-83.2	0	0	0	110.1	E371 V372 F373 L374 M407	E371-H396 IonicContact OE1-CD2 2.65Å; E371-H396 IonicContact OE1-CE1 3.5Å; E371-H396 IonicContact OE1-NE2 3.61Å; E371-H396 PolarHBondContact OE1-NE2 3.14Å; V372-H396 PolarHBondContact O-N 3.33Å; F373-H396 CarbonylContact C-O 3.59Å; F373-H396 WeakPolarHBondContact CA-O 3.43Å; F373-H396 HydrophobicContact CD1-CB 3.86Å; F373-H396 HydrophobicContact CE1-CB 3.88Å; F373-H396 AromaticContact CE1-CD2 3.49Å; F373-H396 VanDerWaalsContact CE1-CD2 3.49Å; F373-H396 WeakPolarHBondContact CE1-CD2 3.43Å; F373-H396 AromaticContact CE1-CG 3.91Å; F373-H396 AromaticContact CZ-CD2 3.56Å; L374-H396 PolarHBondContact N-O 3.3Å; H396-M407 HydrophobicContact CB-CE 3.55Å
397	W	97.6	Very high	95.8	Very high	116 Å²	116	54.1 Å²	54.1	44%	0.439	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.1	177.8	67.3	-86.7	0	0	0	112.1	L374 Q376 V384 A385	L374-W397 HydrophobicContact CB-CB 4.16Å; L374-W397 WeakPolarHBondContact O-CA 3.46Å; L374-W397 WeakPolarHBondContact O-CB 3.39Å; Q376-W397 HydrophobicContact CB-CE3 3.97Å; Q376-W397 HydrophobicContact CB-CZ3 4.23Å; Q376-W397 HydrophobicContact CG-CZ3 4.43Å; V384-W397 HydrophobicContact CG2-CB 3.71Å; V384-W397 HydrophobicContact CG2-CD2 4.18Å; V384-W397 HydrophobicContact CG2-CE3 4.18Å; V384-W397 HydrophobicContact CG2-CG 4Å; A385-W397 HydrophobicContact CB-CZ2 4.23Å
398	S	96.8	Very high	95.9	Very high	11 Å²	11	53.9 Å²	53.9	8%	0.077	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.4	173.1	174.9	0	0	0	0	110	L374 Q376 D400 T403	L374-S398 PolarHBondContact O-N 2.83Å; L374-S398 VanDerWaalsContact O-N 3.17Å; Q376-S398 PolarHBondContact N-O 2.86Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 WeakPolarHBondContact CB-O 3.36Å; S398-D400 PolarHBondContact OG-N 3.41Å; S398-D400 PolarHBondContact OG-O 2.91Å; S398-T403 WeakPolarHBondContact OG-CB 3.36Å
399	G	93.2	Very high	95.9	Very high	55 Å²	55	54.7 Å²	54.7	57%	0.567	32%	0.316	S	S	*	.	S	Bend	trans	-82.6	-8.4	168.8	0	0	0	0	0	113.9
400	D	94.2	Very high	95.7	Very high	71 Å²	71	55 Å²	55	38%	0.38	31%	0.314	S	S	.	.	S	Bend	trans	-120.9	132.6	-177.9	174.2	58	0	0	0	110.8	S398 D402 T403 L404	S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 WeakPolarHBondContact CB-O 3.36Å; S398-D400 PolarHBondContact OG-N 3.41Å; S398-D400 PolarHBondContact OG-O 2.91Å; D400-D402 PolarHBondContact OD2-N 2.97Å; D400-T403 WeakPolarHBondContact OD2-CB 3.36Å; D400-T403 PolarHBondContact OD2-N 3.17Å; D400-T403 PolarHBondContact OD2-OG1 3.05Å; D400-L404 WeakPolarHBondContact O-CB 3.5Å; D400-L404 PolarHBondContact O-N 2.88Å
401	V	93.5	Very high	95.6	Very high	27 Å²	27	53.7 Å²	53.7	16%	0.164	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-37.2	-174.4	175.6	0	0	0	0	111.3	L375 L404 A405 I429	L375-V401 HydrophobicContact CD1-CG2 3.76Å; L375-V401 HydrophobicContact CD2-CG2 4.01Å; V401-L404 WeakPolarHBondContact O-CB 3.34Å; V401-L404 PolarHBondContact O-N 3.43Å; V401-A405 PolarHBondContact O-N 2.96Å; V401-I429 HydrophobicContact CG1-CB 4.2Å; V401-I429 HydrophobicContact CG1-CD1 4.33Å; V401-I429 HydrophobicContact CG1-CG1 4.41Å
402	D	92.3	Very high	95.5	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-68.8	-45.9	-179.3	-66.3	-33.9	0	0	0	110.2	D400 L404 A405 D406 K432	D400-D402 PolarHBondContact OD2-N 2.97Å; D402-L404 VanDerWaalsContact C-N 3.29Å; D402-L404 PolarHBondContact O-N 2.82Å; D402-A405 WeakPolarHBondContact O-CB 3.41Å; D402-A405 PolarHBondContact O-N 2.81Å; D402-A405 VanDerWaalsContact O-N 3.14Å; D402-D406 PolarHBondContact O-N 2.89Å; D402-K432 WeakPolarHBondContact OD1-CD 3.41Å; D402-K432 WeakPolarHBondContact OD1-CE 3.46Å; D402-K432 IonicContact OD1-NZ 3.81Å; D402-K432 PolarHBondContact OD1-NZ 3.46Å; D402-K432 IonicContact OD2-NZ 3.39Å
403	T	93.8	Very high	95.5	Very high	65 Å²	65	52.8 Å²	52.8	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-39.8	172.1	-54.3	0	0	0	0	111.7	S398 D400 D406 M407	S398-T403 WeakPolarHBondContact OG-CB 3.36Å; D400-T403 WeakPolarHBondContact OD2-CB 3.36Å; D400-T403 PolarHBondContact OD2-N 3.17Å; D400-T403 PolarHBondContact OD2-OG1 3.05Å; T403-D406 PolarHBondContact O-N 2.84Å; T403-M407 HydrophobicContact CG2-SD 4.26Å; T403-M407 WeakPolarHBondContact O-CG 3.49Å; T403-M407 PolarHBondContact O-N 3.3Å; T403-M407 VanDerWaalsContact O-N 3.07Å
404	L	97.2	Very high	95.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-42.4	176.3	-165.1	72	0	0	0	111.4	V345 F373 L375 D400 V401 D402 M407 V408 F426 I429	V345-L404 HydrophobicContact CG1-CD2 4.14Å; F373-L404 HydrophobicContact CB-CD1 4.02Å; F373-L404 HydrophobicContact CB-CG 4.39Å; F373-L404 HydrophobicContact CD1-CD1 4.29Å; L375-L404 HydrophobicContact CB-CD2 4.11Å; L375-L404 HydrophobicContact CD1-CD2 4.3Å; D400-L404 WeakPolarHBondContact O-CB 3.5Å; D400-L404 PolarHBondContact O-N 2.88Å; V401-L404 WeakPolarHBondContact O-CB 3.34Å; V401-L404 PolarHBondContact O-N 3.43Å; D402-L404 VanDerWaalsContact C-N 3.29Å; D402-L404 PolarHBondContact O-N 2.82Å; L404-M407 PolarHBondContact O-N 2.84Å; L404-V408 WeakPolarHBondContact O-CG2 3.17Å; L404-V408 PolarHBondContact O-N 3.35Å; L404-V408 VanDerWaalsContact O-N 3.09Å; L404-F426 HydrophobicContact CD2-CE2 4.18Å; L404-F426 HydrophobicContact CD2-CZ 4.17Å; L404-I429 HydrophobicContact CD2-CD1 4.3Å
405	A	96.4	Very high	95.1	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.7	0	0	0	0	0	111.2	V401 D402 M407 V408 V409 I429 L433	V401-A405 PolarHBondContact O-N 2.96Å; D402-A405 WeakPolarHBondContact O-CB 3.41Å; D402-A405 PolarHBondContact O-N 2.81Å; D402-A405 VanDerWaalsContact O-N 3.14Å; A405-M407 VanDerWaalsContact C-N 3.28Å; A405-M407 PolarHBondContact O-N 3.02Å; A405-V408 WeakPolarHBondContact O-CB 3.46Å; A405-V408 PolarHBondContact O-N 3.28Å; A405-V408 VanDerWaalsContact O-N 3.08Å; A405-V409 WeakPolarHBondContact O-CG2 3.45Å; A405-V409 PolarHBondContact O-N 3.49Å; A405-I429 HydrophobicContact CB-CG1 4.23Å; A405-L433 HydrophobicContact CB-CD2 4.13Å
406	D	92.8	Very high	95.1	Very high	76 Å²	76	53.9 Å²	53.9	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-55.8	-42.8	175.6	-81.3	-0.5	0	0	0	112.3	D402 T403 V409 K410	D402-D406 PolarHBondContact O-N 2.89Å; T403-D406 PolarHBondContact O-N 2.84Å; D406-V409 PolarHBondContact O-N 2.87Å; D406-K410 WeakPolarHBondContact O-CB 3.49Å; D406-K410 WeakPolarHBondContact O-CD 3.39Å; D406-K410 VanDerWaalsContact O-CG 3.26Å; D406-K410 WeakPolarHBondContact O-CG 3.43Å; D406-K410 PolarHBondContact O-N 3.31Å
407	M	97.4	Very high	95.1	Very high	55 Å²	55	52.4 Å²	52.4	27%	0.271	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178	-66.7	167.6	71.5	0	0	111.2	F373 H396 T403 L404 A405 T411	F373-M407 HydrophobicContact CD1-CB 4.18Å; F373-M407 HydrophobicContact CE1-CB 3.74Å; H396-M407 HydrophobicContact CB-CE 3.55Å; T403-M407 HydrophobicContact CG2-SD 4.26Å; T403-M407 WeakPolarHBondContact O-CG 3.49Å; T403-M407 PolarHBondContact O-N 3.3Å; T403-M407 VanDerWaalsContact O-N 3.07Å; L404-M407 PolarHBondContact O-N 2.84Å; A405-M407 VanDerWaalsContact C-N 3.28Å; A405-M407 PolarHBondContact O-N 3.02Å; M407-T411 WeakPolarHBondContact O-CB 3.4Å; M407-T411 PolarHBondContact O-N 2.92Å; M407-T411 PolarHBondContact O-OG1 3.19Å
408	V	98.1	Very high	95.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-46.3	175.6	174.2	0	0	0	0	110.9	V345 F373 L404 A405 K410 T411 A412 I418 L433	V345-V408 HydrophobicContact CG2-CG2 4.08Å; F373-V408 HydrophobicContact CB-CG2 3.99Å; F373-V408 HydrophobicContact CD1-CG2 3.73Å; F373-V408 HydrophobicContact CD2-CG2 3.67Å; F373-V408 HydrophobicContact CE1-CG2 4.1Å; F373-V408 HydrophobicContact CE2-CG2 4.03Å; F373-V408 HydrophobicContact CG-CG2 3.5Å; F373-V408 HydrophobicContact CZ-CG2 4.23Å; L404-V408 WeakPolarHBondContact O-CG2 3.17Å; L404-V408 PolarHBondContact O-N 3.35Å; L404-V408 VanDerWaalsContact O-N 3.09Å; A405-V408 WeakPolarHBondContact O-CB 3.46Å; A405-V408 PolarHBondContact O-N 3.28Å; A405-V408 VanDerWaalsContact O-N 3.08Å; V408-K410 VanDerWaalsContact C-N 3.35Å; V408-K410 PolarHBondContact O-N 3.2Å; V408-T411 PolarHBondContact O-N 3.23Å; V408-T411 VanDerWaalsContact O-N 3.17Å; V408-A412 WeakPolarHBondContact O-CB 3.42Å; V408-A412 PolarHBondContact O-N 3.16Å; V408-I418 HydrophobicContact CG1-CD1 3.64Å; V408-I418 HydrophobicContact CG1-CG1 4.37Å; V408-L433 HydrophobicContact CB-CD2 3.87Å; V408-L433 HydrophobicContact CG1-CD1 4.4Å; V408-L433 HydrophobicContact CG1-CD2 3.74Å
409	V	94.5	Very high	95.3	Very high	29 Å²	29	46.3 Å²	46.3	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-41.2	-179.2	172.1	0	0	0	0	111.5	A405 D406 T411 L433 D436 F437	A405-V409 WeakPolarHBondContact O-CG2 3.45Å; A405-V409 PolarHBondContact O-N 3.49Å; D406-V409 PolarHBondContact O-N 2.87Å; V409-T411 PolarHBondContact O-N 3.39Å; V409-L433 HydrophobicContact CG2-CD2 3.82Å; V409-D436 HydrophobicContact CG1-CB 4.27Å; V409-D436 HydrophobicContact CG2-CB 3.78Å; V409-F437 HydrophobicContact CB-CE1 4.16Å; V409-F437 HydrophobicContact CG1-CD1 4.19Å; V409-F437 HydrophobicContact CG1-CE1 3.96Å; V409-F437 HydrophobicContact CG2-CE1 4.07Å; V409-F437 HydrophobicContact CG2-CZ 4.11Å
410	K	91.3	Very high	95.5	Very high	169 Å²	169	43.7 Å²	43.7	74%	0.735	24%	0.244	S	C	*	.	H	α-helix	trans	-67.3	-24.7	177.6	-74.2	167.3	-175.6	160.1	0	113.4	D406 V408	D406-K410 WeakPolarHBondContact O-CB 3.49Å; D406-K410 WeakPolarHBondContact O-CD 3.39Å; D406-K410 VanDerWaalsContact O-CG 3.26Å; D406-K410 WeakPolarHBondContact O-CG 3.43Å; D406-K410 PolarHBondContact O-N 3.31Å; V408-K410 VanDerWaalsContact C-N 3.35Å; V408-K410 PolarHBondContact O-N 3.2Å
411	T	95.4	Very high	95.7	Very high	37 Å²	37	40.3 Å²	40.3	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-93.3	-34.9	-178	-70.8	0	0	0	0	113.2	E371 F373 M407 V408 V409	E371-T411 HydrophobicContact CG-CG2 4.47Å; E371-T411 WeakPolarHBondContact OE1-CG2 3.35Å; E371-T411 WeakPolarHBondContact OE2-CG2 3.16Å; F373-T411 HydrophobicContact CE2-CG2 4.34Å; F373-T411 HydrophobicContact CZ-CG2 4.03Å; M407-T411 WeakPolarHBondContact O-CB 3.4Å; M407-T411 PolarHBondContact O-N 2.92Å; M407-T411 PolarHBondContact O-OG1 3.19Å; V408-T411 PolarHBondContact O-N 3.23Å; V408-T411 VanDerWaalsContact O-N 3.17Å; V409-T411 PolarHBondContact O-N 3.39Å
412	A	96	Very high	95.7	Very high	17 Å²	17	39.1 Å²	39.1	14%	0.14	22%	0.218	C	C	.	.			trans	-67.2	144.5	-173.6	0	0	0	0	0	112.6	V312 I343 V408 D416 I418 F437	V312-A412 HydrophobicContact CG1-CB 4.38Å; V312-A412 HydrophobicContact CG2-CB 4.22Å; I343-A412 HydrophobicContact CD1-CB 4.04Å; V408-A412 WeakPolarHBondContact O-CB 3.42Å; V408-A412 PolarHBondContact O-N 3.16Å; A412-D416 WeakPolarHBondContact CA-OD2 3.33Å; A412-I418 HydrophobicContact CB-CD1 4.46Å; A412-F437 HydrophobicContact CB-CE1 3.9Å; A412-F437 HydrophobicContact CB-CZ 3.62Å
413	Q	93.9	Very high	95.4	Very high	117 Å²	117	37.6 Å²	37.6	55%	0.547	21%	0.21	S	C	.	.			trans	-125.1	153.1	177.9	-62.7	-178.5	0.3	0	0	110.8	V312 G415 D416	V312-Q413 WeakPolarHBondContact CG2-O 2.89Å; Q413-G415 PolarHBondContact O-N 3.2Å; Q413-D416 PolarHBondContact N-OD2 3.15Å; Q413-D416 VanDerWaalsContact O-CB 3.25Å; Q413-D416 WeakPolarHBondContact O-CB 3.47Å; Q413-D416 PolarHBondContact O-N 3.31Å
414	P	92.5	Very high	95	Very high	95 Å²	95	35 Å²	35	62%	0.617	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	126.7	172.3	-25.2	33.6	0	0	0	111.3
415	G	94.4	Very high	94.2	Very high	44 Å²	44	37.6 Å²	37.6	45%	0.454	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	102	-9.4	-172.9	0	0	0	0	0	114.8	G311 Q413	G311-G415 PolarHBondContact O-N 3.35Å; Q413-G415 PolarHBondContact O-N 3.2Å
416	D	98.2	Very high	94	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	22%	0.223	C	C	.	.			trans	-76.7	150.5	177	-68.1	-8.2	0	0	0	112.1	T313 R341 I343 A412 Q413	T313-D416 PolarHBondContact N-O 2.74Å; R341-D416 WeakPolarHBondContact CB-OD1 3.39Å; R341-D416 IonicContact CZ-OD2 2.98Å; R341-D416 IonicContact NH1-OD1 3.75Å; R341-D416 IonicContact NH1-OD2 3.89Å; R341-D416 PolarHBondContact NH1-OD2 3.15Å; I343-D416 HydrophobicContact CD1-CB 4.24Å; A412-D416 WeakPolarHBondContact CA-OD2 3.33Å; Q413-D416 PolarHBondContact N-OD2 3.15Å; Q413-D416 VanDerWaalsContact O-CB 3.25Å; Q413-D416 WeakPolarHBondContact O-CB 3.47Å; Q413-D416 PolarHBondContact O-N 3.31Å
417	H	98.6	Very high	93.8	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.8	174	-61.3	-79	0	0	0	110.6	T313 Y315 R341 I342 I343	T313-H417 WeakPolarHBondContact CB-ND1 3.44Å; T313-H417 CarbonylContact O-C 3.55Å; T313-H417 WeakPolarHBondContact O-CA 3.49Å; T313-H417 PolarHBondContact OG1-ND1 2.89Å; Y315-H417 HydrophobicContact CE2-CB 4.22Å; Y315-H417 AromaticContact CE2-ND1 3.79Å; R341-H417 PolarHBondContact O-N 3.47Å; I342-H417 CarbonylContact C-O 3.51Å; I342-H417 WeakPolarHBondContact CA-O 3.37Å; I343-H417 PolarHBondContact N-O 2.89Å
418	I	98.7	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.9	177.3	-59.6	171.5	0	0	0	109	V312 T313 V314 Y315 I343 V345 V408 A412 V420 L433 F437	V312-I418 HydrophobicContact CG1-CD1 3.54Å; V312-I418 HydrophobicContact CG1-CG1 3.89Å; T313-I418 PolarHBondContact O-N 2.74Å; V314-I418 CarbonylContact C-O 3.52Å; V314-I418 HydrophobicContact CG2-CB 4.41Å; V314-I418 HydrophobicContact CG2-CD1 4.35Å; Y315-I418 PolarHBondContact N-O 3.1Å; I343-I418 HydrophobicContact CB-CG1 4.16Å; I343-I418 HydrophobicContact CD1-CG1 4.36Å; I343-I418 CarbonylContact O-C 3.6Å; I343-I418 WeakPolarHBondContact O-CA 3.42Å; V345-I418 HydrophobicContact CG2-CG2 3.78Å; V408-I418 HydrophobicContact CG1-CD1 3.64Å; V408-I418 HydrophobicContact CG1-CG1 4.37Å; A412-I418 HydrophobicContact CB-CD1 4.46Å; I418-V420 HydrophobicContact CG2-CG2 4.11Å; I418-L433 HydrophobicContact CD1-CD1 4.36Å; I418-L433 HydrophobicContact CG2-CD1 4.15Å; I418-F437 HydrophobicContact CD1-CE2 3.76Å; I418-F437 HydrophobicContact CD1-CZ 3.92Å
419	L	98.6	Very high	93.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109	173.7	-179.7	59.7	0	0	0	110.1	L303 D317 T328 L329 L332 I343 V345 M421	L303-L419 HydrophobicContact CD1-CD1 3.52Å; L303-L419 HydrophobicContact CD1-CD2 4.41Å; D317-L419 HydrophobicContact CB-CD1 4.02Å; T328-L419 HydrophobicContact CG2-CD2 3.94Å; L329-L419 HydrophobicContact CD2-CD2 3.69Å; L329-L419 HydrophobicContact CG-CD2 4.11Å; L332-L419 HydrophobicContact CD2-CB 3.83Å; L332-L419 HydrophobicContact CD2-CD2 4.07Å; L332-L419 HydrophobicContact CD2-CG 4.38Å; I343-L419 PolarHBondContact O-N 3.21Å; V345-L419 PolarHBondContact N-O 3.38Å; L419-M421 HydrophobicContact CD2-CE 4.48Å; L419-M421 HydrophobicContact CD2-CG 4.32Å; L419-M421 HydrophobicContact CD2-SD 4.06Å; L419-M421 HydrophobicContact CG-CG 4.02Å; L419-M421 HydrophobicContact CG-SD 4.36Å
420	V	98.6	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.9	176.3	-177	0	0	0	0	109.4	V314 Y315 D317 V345 I418 F426 I429 H430	V314-V420 HydrophobicContact CG1-CG2 4.41Å; Y315-V420 PolarHBondContact O-N 3.08Å; D317-V420 PolarHBondContact N-O 2.9Å; V345-V420 HydrophobicContact CB-CG2 4.25Å; V345-V420 CarbonylContact O-C 3.59Å; V345-V420 WeakPolarHBondContact O-CA 3.44Å; I418-V420 HydrophobicContact CG2-CG2 4.11Å; V420-F426 HydrophobicContact CG1-CD1 3.41Å; V420-F426 VanDerWaalsContact CG1-CD1 3.41Å; V420-F426 HydrophobicContact CG1-CE1 3.8Å; V420-F426 HydrophobicContact CG1-CG 4.32Å; V420-I429 HydrophobicContact CG1-CG2 3.78Å; V420-I429 HydrophobicContact CG2-CG2 4.42Å; V420-H430 VanDerWaalsContact CB-NE2 3.26Å; V420-H430 WeakPolarHBondContact CB-NE2 3.45Å; V420-H430 WeakPolarHBondContact CG1-NE2 3.46Å
421	M	97.8	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.3	-176	-69.9	177.8	-71.2	0	0	110.7	D317 A319 I325 T328 L329 A344 V345 L346 E347 L366 L419	D317-M421 HydrophobicContact CB-CG 4.33Å; D317-M421 WeakPolarHBondContact O-CA 3.46Å; A319-M421 HydrophobicContact CB-CG 4.27Å; A319-M421 HydrophobicContact CB-SD 4.17Å; I325-M421 HydrophobicContact CB-SD 4.3Å; I325-M421 HydrophobicContact CG1-SD 4.1Å; I325-M421 HydrophobicContact CG2-CE 4.07Å; I325-M421 HydrophobicContact CG2-SD 3.94Å; T328-M421 HydrophobicContact CG2-CG 4.35Å; T328-M421 HydrophobicContact CG2-SD 3.57Å; T328-M421 VanDerWaalsContact CG2-SD 3.57Å; L329-M421 HydrophobicContact CD1-CE 4.38Å; L329-M421 HydrophobicContact CG-CE 4.44Å; A344-M421 HydrophobicContact CB-CE 3.93Å; V345-M421 PolarHBondContact O-N 2.97Å; L346-M421 HydrophobicContact CD1-CB 3.76Å; E347-M421 PolarHBondContact N-O 3.11Å; L366-M421 HydrophobicContact CD2-CE 3.98Å; L419-M421 HydrophobicContact CD2-CE 4.48Å; L419-M421 HydrophobicContact CD2-CG 4.32Å; L419-M421 HydrophobicContact CD2-SD 4.06Å; L419-M421 HydrophobicContact CG-CG 4.02Å; L419-M421 HydrophobicContact CG-SD 4.36Å
422	S	93.7	Very high	93.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	22%	0.218	C	C	.	.			trans	-161.3	148.6	176.3	174.8	0	0	0	0	111.4	R301 D317 F318 E347 G424	R301-S422 PolarHBondContact NH2-O 2.85Å; D317-S422 PolarHBondContact O-N 2.88Å; D317-S422 VanDerWaalsContact O-N 3.11Å; F318-S422 WeakPolarHBondContact CA-O 3.27Å; E347-S422 WeakPolarHBondContact OE2-CB 3.25Å; E347-S422 PolarHBondContact OE2-OG 2.99Å; S422-G424 VanDerWaalsContact C-N 3.29Å; S422-G424 PolarHBondContact OG-N 3.47Å; S422-G424 PolarHBondContact OG-O 3.04Å
423	N	86.7	Confident	93.3	Very high	45 Å²	45	31.9 Å²	31.9	24%	0.241	21%	0.212	C	C	.	.	S	Bend	trans	-88.8	9.1	166.6	70.9	-19.8	0	0	0	113.3	F318 H320 R349 S350	F318-N423 HydrophobicContact CD1-CB 4.28Å; F318-N423 HydrophobicContact CD2-CB 4.49Å; F318-N423 HydrophobicContact CE1-CB 3.71Å; F318-N423 HydrophobicContact CE2-CB 3.96Å; F318-N423 WeakPolarHBondContact CE2-O 3.32Å; F318-N423 HydrophobicContact CZ-CB 3.54Å; H320-N423 HydrophobicContact CB-CB 4.03Å; R349-N423 WeakPolarHBondContact CB-OD1 3.44Å; R349-N423 WeakPolarHBondContact CD-OD1 3.46Å; R349-N423 VanDerWaalsContact CG-OD1 3.25Å; R349-N423 WeakPolarHBondContact CG-OD1 3.36Å; S350-N423 WeakPolarHBondContact CA-ND2 3.22Å
424	G	84.9	Confident	93.4	Very high	11 Å²	11	26.5 Å²	26.5	11%	0.113	19%	0.187	C	C	.	.	S	Bend	trans	-132.7	-167.1	177.7	0	0	0	0	0	113.3	R301 S422	R301-G424 PolarHBondContact NH1-O 3.03Å; R301-G424 PolarHBondContact NH2-O 3.37Å; S422-G424 VanDerWaalsContact C-N 3.29Å; S422-G424 PolarHBondContact OG-N 3.47Å; S422-G424 PolarHBondContact OG-O 3.04Å
425	G	80.4	Confident	93.3	Very high	55 Å²	55	25.2 Å²	25.2	57%	0.567	18%	0.175	S	C	*	.			trans	-81.6	-6.3	-175.2	0	0	0	0	0	115.9	G427 G428	G425-G427 VanDerWaalsContact C-N 3.26Å; G425-G427 PolarHBondContact O-N 3.31Å; G425-G427 VanDerWaalsContact O-N 3.1Å; G425-G428 PolarHBondContact O-N 3.12Å
426	F	92.4	Very high	93.1	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	45	44.1	176.1	-150.5	156.7	0	0	0	114.5	V345 E347 L375 L404 V420 G428 I429	V345-F426 HydrophobicContact CG1-CE1 3.96Å; V345-F426 HydrophobicContact CG1-CZ 3.78Å; E347-F426 HydrophobicContact CB-CD1 3.68Å; E347-F426 HydrophobicContact CB-CD2 4.18Å; E347-F426 HydrophobicContact CB-CE1 3.56Å; E347-F426 HydrophobicContact CB-CE2 4.07Å; E347-F426 HydrophobicContact CB-CG 3.99Å; E347-F426 HydrophobicContact CB-CZ 3.75Å; E347-F426 HydrophobicContact CG-CD2 4.37Å; E347-F426 HydrophobicContact CG-CE2 4.42Å; E347-F426 HydrophobicContact CG-CG 4.46Å; E347-F426 WeakPolarHBondContact OE2-CA 3.46Å; E347-F426 WeakPolarHBondContact OE2-CB 3.45Å; E347-F426 PolarHBondContact OE2-N 2.87Å; L375-F426 HydrophobicContact CB-CE2 3.91Å; L375-F426 HydrophobicContact CB-CZ 4.12Å; L375-F426 HydrophobicContact CD2-CD2 4.35Å; L375-F426 HydrophobicContact CD2-CE2 3.93Å; L375-F426 HydrophobicContact CG-CE2 4.38Å; L404-F426 HydrophobicContact CD2-CE2 4.18Å; L404-F426 HydrophobicContact CD2-CZ 4.17Å; V420-F426 HydrophobicContact CG1-CD1 3.41Å; V420-F426 VanDerWaalsContact CG1-CD1 3.41Å; V420-F426 HydrophobicContact CG1-CE1 3.8Å; V420-F426 HydrophobicContact CG1-CG 4.32Å; F426-G428 PolarHBondContact O-N 3.01Å; F426-I429 HydrophobicContact CB-CG2 3.95Å; F426-I429 HydrophobicContact CD1-CG2 4.09Å; F426-I429 HydrophobicContact CD2-CB 4.42Å; F426-I429 HydrophobicContact CD2-CD1 4.5Å; F426-I429 HydrophobicContact CD2-CG2 4.03Å; F426-I429 HydrophobicContact CE2-CD1 4.19Å; F426-I429 HydrophobicContact CG-CG2 3.75Å; F426-I429 WeakPolarHBondContact O-CB 3.43Å; F426-I429 WeakPolarHBondContact O-CG2 3.24Å; F426-I429 PolarHBondContact O-N 3.44Å
427	G	87.6	Confident	92.6	Very high	53 Å²	53	25.1 Å²	25.1	55%	0.546	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	58.3	16.5	178.5	0	0	0	0	0	115.7	G425 I429 K432	G425-G427 VanDerWaalsContact C-N 3.26Å; G425-G427 PolarHBondContact O-N 3.31Å; G425-G427 VanDerWaalsContact O-N 3.1Å; G427-I429 VanDerWaalsContact C-N 3.3Å; G427-K432 WeakPolarHBondContact O-CE 3.38Å
428	G	89.2	Confident	91.9	Very high	38 Å²	38	29.6 Å²	29.6	39%	0.392	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	72.8	19	-174.6	0	0	0	0	0	114.4	G425 F426 H430 Q431 K432	G425-G428 PolarHBondContact O-N 3.12Å; F426-G428 PolarHBondContact O-N 3.01Å; G428-H430 PolarHBondContact O-N 2.97Å; G428-Q431 PolarHBondContact O-N 2.82Å; G428-K432 PolarHBondContact O-N 3.07Å
429	I	96.1	Very high	90.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-51.4	-35.7	-172	-165.3	166.9	0	0	0	114.1	V345 V401 L404 A405 V420 F426 G427 Q431 K432 L433	V345-I429 HydrophobicContact CG1-CD1 4.04Å; V401-I429 HydrophobicContact CG1-CB 4.2Å; V401-I429 HydrophobicContact CG1-CD1 4.33Å; V401-I429 HydrophobicContact CG1-CG1 4.41Å; L404-I429 HydrophobicContact CD2-CD1 4.3Å; A405-I429 HydrophobicContact CB-CG1 4.23Å; V420-I429 HydrophobicContact CG1-CG2 3.78Å; V420-I429 HydrophobicContact CG2-CG2 4.42Å; F426-I429 HydrophobicContact CB-CG2 3.95Å; F426-I429 HydrophobicContact CD1-CG2 4.09Å; F426-I429 HydrophobicContact CD2-CB 4.42Å; F426-I429 HydrophobicContact CD2-CD1 4.5Å; F426-I429 HydrophobicContact CD2-CG2 4.03Å; F426-I429 HydrophobicContact CE2-CD1 4.19Å; F426-I429 HydrophobicContact CG-CG2 3.75Å; F426-I429 WeakPolarHBondContact O-CB 3.43Å; F426-I429 WeakPolarHBondContact O-CG2 3.24Å; F426-I429 PolarHBondContact O-N 3.44Å; G427-I429 VanDerWaalsContact C-N 3.3Å; I429-Q431 VanDerWaalsContact C-N 3.29Å; I429-Q431 PolarHBondContact O-N 2.89Å; I429-K432 PolarHBondContact O-N 3Å; I429-L433 HydrophobicContact CG1-CD1 4.23Å; I429-L433 HydrophobicContact CG1-CG 4.18Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å; I429-L433 PolarHBondContact O-N 3.08Å
430	H	94.6	Very high	89.3	Confident	16 Å²	16	38 Å²	38	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-43.2	177.3	-53.3	94.9	0	0	0	113.2	R306 D316 V420 G428 L434	R306-H430 HydrophobicContact CG-CB 4.45Å; D316-H430 VanDerWaalsContact CB-NE2 3.27Å; D316-H430 WeakPolarHBondContact CB-NE2 3.48Å; D316-H430 VanDerWaalsContact CG-CE1 3.47Å; D316-H430 VanDerWaalsContact CG-NE2 3.29Å; D316-H430 IonicContact OD1-CE1 3.7Å; D316-H430 IonicContact OD1-NE2 3.55Å; D316-H430 IonicContact OD2-CE1 2.7Å; D316-H430 IonicContact OD2-NE2 2.7Å; V420-H430 VanDerWaalsContact CB-NE2 3.26Å; V420-H430 WeakPolarHBondContact CB-NE2 3.45Å; V420-H430 WeakPolarHBondContact CG1-NE2 3.46Å; G428-H430 PolarHBondContact O-N 2.97Å; H430-L434 VanDerWaalsContact O-CG 3.32Å; H430-L434 WeakPolarHBondContact O-CG 3.47Å; H430-L434 PolarHBondContact O-N 2.91Å
431	Q	91.7	Very high	87.6	Confident	85 Å²	85	42.4 Å²	42.4	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-75.2	-39.4	-177.5	-171.2	57	50.8	0	0	110.5	G428 I429 L434 D435	G428-Q431 PolarHBondContact O-N 2.82Å; I429-Q431 VanDerWaalsContact C-N 3.29Å; I429-Q431 PolarHBondContact O-N 2.89Å; Q431-L434 PolarHBondContact O-N 3.24Å; Q431-D435 WeakPolarHBondContact CG-OD2 3.49Å; Q431-D435 PolarHBondContact NE2-OD1 3.31Å; Q431-D435 PolarHBondContact NE2-OD2 3.38Å; Q431-D435 WeakPolarHBondContact O-CB 3.26Å; Q431-D435 VanDerWaalsContact O-CG 3.28Å; Q431-D435 PolarHBondContact O-N 3.16Å
432	K	94.1	Very high	85.9	Confident	71 Å²	71	49.5 Å²	49.5	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-55	-55.4	174	-66	175	172.2	-78	0	111	D402 G427 G428 I429 L434 D435 D436	D402-K432 WeakPolarHBondContact OD1-CD 3.41Å; D402-K432 WeakPolarHBondContact OD1-CE 3.46Å; D402-K432 IonicContact OD1-NZ 3.81Å; D402-K432 PolarHBondContact OD1-NZ 3.46Å; D402-K432 IonicContact OD2-NZ 3.39Å; G427-K432 WeakPolarHBondContact O-CE 3.38Å; G428-K432 PolarHBondContact O-N 3.07Å; I429-K432 PolarHBondContact O-N 3Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.17Å; K432-D435 PolarHBondContact O-N 2.91Å; K432-D435 VanDerWaalsContact O-N 3.09Å; K432-D436 PolarHBondContact O-N 2.74Å
433	L	97.1	Very high	84.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-54.1	-46.6	177.2	-66.3	175.1	0	0	0	112.4	A405 V408 V409 I418 I429 D435 F437	A405-L433 HydrophobicContact CB-CD2 4.13Å; V408-L433 HydrophobicContact CB-CD2 3.87Å; V408-L433 HydrophobicContact CG1-CD1 4.4Å; V408-L433 HydrophobicContact CG1-CD2 3.74Å; V409-L433 HydrophobicContact CG2-CD2 3.82Å; I418-L433 HydrophobicContact CD1-CD1 4.36Å; I418-L433 HydrophobicContact CG2-CD1 4.15Å; I429-L433 HydrophobicContact CG1-CD1 4.23Å; I429-L433 HydrophobicContact CG1-CG 4.18Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å; I429-L433 PolarHBondContact O-N 3.08Å; L433-D435 VanDerWaalsContact C-N 3.35Å; L433-D435 PolarHBondContact O-N 2.74Å; L433-F437 HydrophobicContact CB-CE2 4.23Å; L433-F437 WeakPolarHBondContact O-CB 3.3Å; L433-F437 WeakPolarHBondContact O-CD2 3.24Å; L433-F437 VanDerWaalsContact O-CG 3.3Å; L433-F437 WeakPolarHBondContact O-CG 3.38Å; L433-F437 PolarHBondContact O-N 3.49Å; L433-F437 VanDerWaalsContact O-N 3.08Å
434	L	95.6	Very high	83	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-35.9	-179.4	-73.5	171.4	0	0	0	112.9	A309 V314 H430 Q431 K432 R438	A309-L434 HydrophobicContact CB-CD2 4.07Å; V314-L434 HydrophobicContact CB-CD2 4.41Å; V314-L434 HydrophobicContact CG2-CD2 3.98Å; V314-L434 HydrophobicContact CG2-CG 4.35Å; H430-L434 VanDerWaalsContact O-CG 3.32Å; H430-L434 WeakPolarHBondContact O-CG 3.47Å; H430-L434 PolarHBondContact O-N 2.91Å; Q431-L434 PolarHBondContact O-N 3.24Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.17Å; L434-R438 WeakPolarHBondContact O-CD 3.21Å; L434-R438 WeakPolarHBondContact O-CG 3.49Å; L434-R438 PolarHBondContact O-N 3.45Å
435	D	91.4	Very high	81.7	Confident	68 Å²	68	59.9 Å²	59.9	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-74.6	-42.9	179.3	-68.1	-24.9	0	0	0	111.1	Q431 K432 L433 F437 R438 E439	Q431-D435 WeakPolarHBondContact CG-OD2 3.49Å; Q431-D435 PolarHBondContact NE2-OD1 3.31Å; Q431-D435 PolarHBondContact NE2-OD2 3.38Å; Q431-D435 WeakPolarHBondContact O-CB 3.26Å; Q431-D435 VanDerWaalsContact O-CG 3.28Å; Q431-D435 PolarHBondContact O-N 3.16Å; K432-D435 PolarHBondContact O-N 2.91Å; K432-D435 VanDerWaalsContact O-N 3.09Å; L433-D435 VanDerWaalsContact C-N 3.35Å; L433-D435 PolarHBondContact O-N 2.74Å; D435-F437 VanDerWaalsContact C-N 3.33Å; D435-F437 PolarHBondContact O-N 2.92Å; D435-R438 WeakPolarHBondContact O-CB 3.45Å; D435-R438 PolarHBondContact O-N 3.01Å; D435-R438 IonicContact OD1-NH1 3.99Å; D435-R438 PolarHBondContact OD1-NH1 3.37Å; D435-R438 VanDerWaalsContact OD1-NH1 3.1Å; D435-E439 PolarHBondContact O-N 2.87Å
436	D	88.4	Confident	80.5	Confident	44 Å²	44	58.5 Å²	58.5	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-40.4	176.8	-59.1	-23.4	0	0	0	111.6	V409 K432 R438 E439 T440	V409-D436 HydrophobicContact CG1-CB 4.27Å; V409-D436 HydrophobicContact CG2-CB 3.78Å; K432-D436 PolarHBondContact O-N 2.74Å; D436-R438 VanDerWaalsContact C-N 3.34Å; D436-R438 PolarHBondContact O-N 2.69Å; D436-E439 PolarHBondContact O-N 2.89Å; D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 VanDerWaalsContact O-N 3.11Å; D436-T440 PolarHBondContact O-OG1 3.08Å
437	F	88.6	Confident	78.8	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-32.2	174.2	-71.4	-44.5	0	0	0	112.9	A309 N310 V312 V409 A412 I418 L433 D435 L441	A309-F437 HydrophobicContact CB-CB 3.55Å; N310-F437 HydrophobicContact CB-CB 4.02Å; N310-F437 HydrophobicContact CB-CD1 4.46Å; N310-F437 HydrophobicContact CB-CG 4.49Å; V312-F437 HydrophobicContact CB-CD2 4.27Å; V312-F437 HydrophobicContact CB-CE2 4.04Å; V312-F437 HydrophobicContact CB-CZ 4.27Å; V312-F437 HydrophobicContact CG1-CD2 4.45Å; V312-F437 HydrophobicContact CG1-CE2 3.78Å; V312-F437 HydrophobicContact CG1-CZ 4Å; V312-F437 HydrophobicContact CG2-CE1 4.26Å; V312-F437 HydrophobicContact CG2-CE2 4.46Å; V312-F437 HydrophobicContact CG2-CZ 4.22Å; V409-F437 HydrophobicContact CB-CE1 4.16Å; V409-F437 HydrophobicContact CG1-CD1 4.19Å; V409-F437 HydrophobicContact CG1-CE1 3.96Å; V409-F437 HydrophobicContact CG2-CE1 4.07Å; V409-F437 HydrophobicContact CG2-CZ 4.11Å; A412-F437 HydrophobicContact CB-CE1 3.9Å; A412-F437 HydrophobicContact CB-CZ 3.62Å; I418-F437 HydrophobicContact CD1-CE2 3.76Å; I418-F437 HydrophobicContact CD1-CZ 3.92Å; L433-F437 HydrophobicContact CB-CE2 4.23Å; L433-F437 WeakPolarHBondContact O-CB 3.3Å; L433-F437 WeakPolarHBondContact O-CD2 3.24Å; L433-F437 VanDerWaalsContact O-CG 3.3Å; L433-F437 WeakPolarHBondContact O-CG 3.38Å; L433-F437 PolarHBondContact O-N 3.49Å; L433-F437 VanDerWaalsContact O-N 3.08Å; D435-F437 VanDerWaalsContact C-N 3.33Å; D435-F437 PolarHBondContact O-N 2.92Å; F437-L441 PolarHBondContact O-N 3.26Å
438	R	83.3	Confident	77.4	Confident	125 Å²	125	64.4 Å²	64.4	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-73.5	-40.4	175.9	-75.6	166.9	-176.7	162.1	-1.8	111.9	A309 L434 D435 D436 T440 L441 Y442	A309-R438 HydrophobicContact CB-CG 4.05Å; L434-R438 WeakPolarHBondContact O-CD 3.21Å; L434-R438 WeakPolarHBondContact O-CG 3.49Å; L434-R438 PolarHBondContact O-N 3.45Å; D435-R438 WeakPolarHBondContact O-CB 3.45Å; D435-R438 PolarHBondContact O-N 3.01Å; D435-R438 IonicContact OD1-NH1 3.99Å; D435-R438 PolarHBondContact OD1-NH1 3.37Å; D435-R438 VanDerWaalsContact OD1-NH1 3.1Å; D436-R438 VanDerWaalsContact C-N 3.34Å; D436-R438 PolarHBondContact O-N 2.69Å; R438-T440 VanDerWaalsContact C-N 3.34Å; R438-L441 WeakPolarHBondContact O-CB 3.44Å; R438-L441 PolarHBondContact O-N 2.98Å; R438-Y442 WeakPolarHBondContact O-CB 3.19Å; R438-Y442 PolarHBondContact O-N 3.37Å
439	E	76.3	Confident	76.4	Confident	119 Å²	119	67.9 Å²	67.9	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-61.8	-44.6	177.9	-175.1	168.5	-150.8	0	0	110.9	D435 D436 L441 Y442 I443	D435-E439 PolarHBondContact O-N 2.87Å; D436-E439 PolarHBondContact O-N 2.89Å; E439-L441 VanDerWaalsContact C-N 3.28Å; E439-L441 PolarHBondContact O-N 3.33Å; E439-Y442 WeakPolarHBondContact O-CB 3.48Å; E439-Y442 PolarHBondContact O-N 2.73Å; E439-Y442 VanDerWaalsContact O-N 3.09Å; E439-I443 HydrophobicContact CG-CD1 3.99Å; E439-I443 HydrophobicContact CG-CG1 4.5Å; E439-I443 WeakPolarHBondContact O-CG1 3.31Å; E439-I443 PolarHBondContact O-N 2.78Å
440	T	66.9	Low	75.4	Confident	57 Å²	57	68.5 Å²	68.5	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-55.3	-43.7	173.8	-55.5	0	0	0	0	111.7	D436 R438 M444	D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 VanDerWaalsContact O-N 3.11Å; D436-T440 PolarHBondContact O-OG1 3.08Å; R438-T440 VanDerWaalsContact C-N 3.34Å; T440-M444 WeakPolarHBondContact O-CG 2.93Å; T440-M444 PolarHBondContact O-N 2.78Å
441	L	63	Low	74.6	Confident	92 Å²	92	70.8 Å²	70.8	48%	0.482	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-39.2	177.7	-158.3	89.8	0	0	0	112.3	N310 F437 R438 E439 M444 A445	N310-L441 HydrophobicContact CB-CD1 4.42Å; N310-L441 WeakPolarHBondContact OD1-CD1 3.46Å; F437-L441 PolarHBondContact O-N 3.26Å; R438-L441 WeakPolarHBondContact O-CB 3.44Å; R438-L441 PolarHBondContact O-N 2.98Å; E439-L441 VanDerWaalsContact C-N 3.28Å; E439-L441 PolarHBondContact O-N 3.33Å; L441-M444 PolarHBondContact O-N 3.29Å; L441-A445 WeakPolarHBondContact O-CB 3.47Å; L441-A445 PolarHBondContact O-N 3.26Å
442	Y	61.9	Low	74	Confident	150 Å²	150	69.8 Å²	69.8	59%	0.588	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-45.3	-179.2	-179.4	-112.6	0	0	0	111.9	R438 E439 M444 A445 L446	R438-Y442 WeakPolarHBondContact O-CB 3.19Å; R438-Y442 PolarHBondContact O-N 3.37Å; E439-Y442 WeakPolarHBondContact O-CB 3.48Å; E439-Y442 PolarHBondContact O-N 2.73Å; E439-Y442 VanDerWaalsContact O-N 3.09Å; Y442-M444 VanDerWaalsContact C-N 3.3Å; Y442-M444 PolarHBondContact O-N 2.99Å; Y442-A445 PolarHBondContact O-N 3.29Å; Y442-L446 HydrophobicContact CD1-CD1 3.59Å; Y442-L446 HydrophobicContact CD2-CD1 4.3Å; Y442-L446 HydrophobicContact CE1-CD1 3.11Å; Y442-L446 HydrophobicContact CE1-CG 4.22Å; Y442-L446 HydrophobicContact CE2-CD1 3.9Å; Y442-L446 HydrophobicContact CE2-CG 4.18Å; Y442-L446 HydrophobicContact CG-CD1 4.17Å; Y442-L446 WeakPolarHBondContact O-CB 3.27Å; Y442-L446 PolarHBondContact O-N 2.73Å
443	I	60.7	Low	73.4	Confident	100 Å²	100	71.2 Å²	71.2	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-59	-42.9	176.3	-67.3	167.7	0	0	0	110.5	E439 L446 A447	E439-I443 HydrophobicContact CG-CD1 3.99Å; E439-I443 HydrophobicContact CG-CG1 4.5Å; E439-I443 WeakPolarHBondContact O-CG1 3.31Å; E439-I443 PolarHBondContact O-N 2.78Å; I443-L446 PolarHBondContact O-N 3.03Å; I443-A447 WeakPolarHBondContact O-CB 3.34Å; I443-A447 PolarHBondContact O-N 3.29Å
444	M	58.8	Low	73	Confident	116 Å²	116	71.3 Å²	71.3	57%	0.571	36%	0.363	S	S	*	.	H	α-helix	trans	-65	-43.2	176.4	-68.5	179.3	77.7	0	0	112.5	T440 L441 Y442 L446 A447 M448	T440-M444 WeakPolarHBondContact O-CG 2.93Å; T440-M444 PolarHBondContact O-N 2.78Å; L441-M444 PolarHBondContact O-N 3.29Å; Y442-M444 VanDerWaalsContact C-N 3.3Å; Y442-M444 PolarHBondContact O-N 2.99Å; M444-L446 VanDerWaalsContact C-N 3.35Å; M444-A447 PolarHBondContact O-N 3.32Å; M444-M448 PolarHBondContact O-N 3.44Å; M444-M448 VanDerWaalsContact O-N 3.09Å
445	A	57.1	Low	72.4	Confident	59 Å²	59	76.4 Å²	76.4	49%	0.488	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-37.2	178.3	0	0	0	0	0	112.4	L441 Y442 M448 K449	L441-A445 WeakPolarHBondContact O-CB 3.47Å; L441-A445 PolarHBondContact O-N 3.26Å; Y442-A445 PolarHBondContact O-N 3.29Å; A445-M448 PolarHBondContact O-N 3.33Å; A445-K449 PolarHBondContact O-N 2.84Å
446	L	56.1	Low	72.2	Confident	25 Å²	25	75.6 Å²	75.6	13%	0.131	39%	0.39	C	S	.	.	H	α-helix	trans	-67.1	-45.6	174.1	-84.6	166.7	0	0	0	112.4	Y442 I443 M444 M448 K449 V450 E574	Y442-L446 HydrophobicContact CD1-CD1 3.59Å; Y442-L446 HydrophobicContact CD2-CD1 4.3Å; Y442-L446 HydrophobicContact CE1-CD1 3.11Å; Y442-L446 HydrophobicContact CE1-CG 4.22Å; Y442-L446 HydrophobicContact CE2-CD1 3.9Å; Y442-L446 HydrophobicContact CE2-CG 4.18Å; Y442-L446 HydrophobicContact CG-CD1 4.17Å; Y442-L446 WeakPolarHBondContact O-CB 3.27Å; Y442-L446 PolarHBondContact O-N 2.73Å; I443-L446 PolarHBondContact O-N 3.03Å; M444-L446 VanDerWaalsContact C-N 3.35Å; L446-M448 VanDerWaalsContact C-N 3.25Å; L446-M448 PolarHBondContact O-N 2.78Å; L446-K449 HydrophobicContact CD2-CD 4.43Å; L446-K449 WeakPolarHBondContact O-CA 3.22Å; L446-K449 VanDerWaalsContact O-CB 3.24Å; L446-K449 WeakPolarHBondContact O-CB 3.49Å; L446-K449 PolarHBondContact O-N 3.34Å; L446-V450 PolarHBondContact O-N 2.88Å; L446-E574 WeakPolarHBondContact CB-OE2 3.14Å; L446-E574 VanDerWaalsContact CD1-OE2 3.27Å; L446-E574 WeakPolarHBondContact CD1-OE2 3.47Å; L446-E574 WeakPolarHBondContact CD2-OE1 3.42Å; L446-E574 WeakPolarHBondContact CD2-OE2 3.14Å; L446-E574 VanDerWaalsContact CG-OE2 3.3Å; L446-E574 WeakPolarHBondContact CG-OE2 3.3Å
447	A	56.1	Low	72.3	Confident	41 Å²	41	75 Å²	75	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-56.1	-42.6	174.8	0	0	0	0	0	111.4	I443 M444 K449 V450 I451	I443-A447 WeakPolarHBondContact O-CB 3.34Å; I443-A447 PolarHBondContact O-N 3.29Å; M444-A447 PolarHBondContact O-N 3.32Å; A447-K449 VanDerWaalsContact C-N 3.31Å; A447-K449 PolarHBondContact O-N 3.49Å; A447-V450 PolarHBondContact O-N 2.94Å; A447-I451 WeakPolarHBondContact O-CD1 3.49Å; A447-I451 VanDerWaalsContact O-CG1 3.25Å; A447-I451 WeakPolarHBondContact O-CG1 3.37Å; A447-I451 PolarHBondContact O-N 3.29Å; A447-I451 VanDerWaalsContact O-N 3.07Å
448	M	58.6	Low	72.5	Confident	137 Å²	137	78.7 Å²	78.7	68%	0.675	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-36.6	173	-76	-174.1	165.6	0	0	113	M444 A445 L446 I451 S452	M444-M448 PolarHBondContact O-N 3.44Å; M444-M448 VanDerWaalsContact O-N 3.09Å; A445-M448 PolarHBondContact O-N 3.33Å; L446-M448 VanDerWaalsContact C-N 3.25Å; L446-M448 PolarHBondContact O-N 2.78Å; M448-I451 PolarHBondContact O-N 3.01Å; M448-S452 WeakPolarHBondContact O-CB 3.38Å; M448-S452 PolarHBondContact O-N 3.45Å; M448-S452 PolarHBondContact O-OG 2.66Å
449	K	68.9	Low	72.9	Confident	112 Å²	112	79 Å²	79	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-47.4	177.4	-167.8	-176.6	178.1	-171.5	0	111.3	A445 L446 A447 I451 S452 Q453	A445-K449 PolarHBondContact O-N 2.84Å; L446-K449 HydrophobicContact CD2-CD 4.43Å; L446-K449 WeakPolarHBondContact O-CA 3.22Å; L446-K449 VanDerWaalsContact O-CB 3.24Å; L446-K449 WeakPolarHBondContact O-CB 3.49Å; L446-K449 PolarHBondContact O-N 3.34Å; A447-K449 VanDerWaalsContact C-N 3.31Å; A447-K449 PolarHBondContact O-N 3.49Å; K449-I451 PolarHBondContact O-N 2.97Å; K449-S452 PolarHBondContact O-N 2.88Å; K449-S452 PolarHBondContact O-OG 2.83Å; K449-Q453 WeakPolarHBondContact O-CG 2.96Å; K449-Q453 PolarHBondContact O-N 3.47Å
450	V	73.7	Confident	73.7	Confident	13 Å²	13	78.1 Å²	78.1	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-60.5	-47.1	176.1	-180	0	0	0	0	110.9	L446 A447 S452 Q453 V454 P572 E574	L446-V450 PolarHBondContact O-N 2.88Å; A447-V450 PolarHBondContact O-N 2.94Å; V450-S452 VanDerWaalsContact C-N 3.32Å; V450-S452 PolarHBondContact O-N 3.2Å; V450-Q453 PolarHBondContact O-N 3.39Å; V450-Q453 VanDerWaalsContact O-N 3.13Å; V450-V454 HydrophobicContact CG1-CG2 4.23Å; V450-V454 WeakPolarHBondContact O-CG2 3.34Å; V450-V454 PolarHBondContact O-N 3.09Å; V450-P572 HydrophobicContact CG1-CB 3.82Å; V450-P572 HydrophobicContact CG1-CG 4.28Å; V450-E574 HydrophobicContact CG2-CG 3.65Å; V450-E574 WeakPolarHBondContact CG2-OE1 3.46Å
451	I	79.3	Confident	75.1	Confident	64 Å²	64	75.6 Å²	75.6	33%	0.328	39%	0.386	S	S	.	.	H	α-helix	trans	-55.9	-48.6	178.7	-68.5	165.9	0	0	0	110.3	A447 M448 K449 Q453 V454 E455 F570 P572	A447-I451 WeakPolarHBondContact O-CD1 3.49Å; A447-I451 VanDerWaalsContact O-CG1 3.25Å; A447-I451 WeakPolarHBondContact O-CG1 3.37Å; A447-I451 PolarHBondContact O-N 3.29Å; A447-I451 VanDerWaalsContact O-N 3.07Å; M448-I451 PolarHBondContact O-N 3.01Å; K449-I451 PolarHBondContact O-N 2.97Å; I451-Q453 VanDerWaalsContact C-N 3.31Å; I451-Q453 PolarHBondContact O-N 3.43Å; I451-V454 PolarHBondContact O-N 3.41Å; I451-E455 WeakPolarHBondContact O-CG 3.34Å; I451-E455 PolarHBondContact O-N 3.48Å; I451-F570 HydrophobicContact CG1-CE1 4.22Å; I451-P572 HydrophobicContact CG1-CG 3.96Å
452	S	78.4	Confident	76.7	Confident	63 Å²	63	73.2 Å²	73.2	44%	0.441	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-36.1	179.3	73.9	0	0	0	0	113.4	M448 K449 V450 A456	M448-S452 WeakPolarHBondContact O-CB 3.38Å; M448-S452 PolarHBondContact O-N 3.45Å; M448-S452 PolarHBondContact O-OG 2.66Å; K449-S452 PolarHBondContact O-N 2.88Å; K449-S452 PolarHBondContact O-OG 2.83Å; V450-S452 VanDerWaalsContact C-N 3.32Å; V450-S452 PolarHBondContact O-N 3.2Å; S452-A456 WeakPolarHBondContact O-CB 3.21Å; S452-A456 PolarHBondContact O-N 3.14Å; S452-A456 VanDerWaalsContact O-N 3.08Å
453	Q	81.8	Confident	78.3	Confident	102 Å²	102	72.1 Å²	72.1	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-69.4	-40.8	176.9	-72.7	175.9	-3	0	0	111.8	K449 V450 I451 A456 Q457	K449-Q453 WeakPolarHBondContact O-CG 2.96Å; K449-Q453 PolarHBondContact O-N 3.47Å; V450-Q453 PolarHBondContact O-N 3.39Å; V450-Q453 VanDerWaalsContact O-N 3.13Å; I451-Q453 VanDerWaalsContact C-N 3.31Å; I451-Q453 PolarHBondContact O-N 3.43Å; Q453-A456 PolarHBondContact O-N 2.89Å; Q453-Q457 WeakPolarHBondContact O-CB 3.32Å; Q453-Q457 PolarHBondContact O-N 3.33Å
454	V	87.9	Confident	80	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-38.9	178.1	177.5	0	0	0	0	111.2	V450 I451 Q457 R458 F570 Y610 V612 C626	V450-V454 HydrophobicContact CG1-CG2 4.23Å; V450-V454 WeakPolarHBondContact O-CG2 3.34Å; V450-V454 PolarHBondContact O-N 3.09Å; I451-V454 PolarHBondContact O-N 3.41Å; V454-Q457 PolarHBondContact O-N 3.13Å; V454-R458 PolarHBondContact O-N 3.29Å; V454-F570 HydrophobicContact CB-CE1 4.36Å; V454-F570 HydrophobicContact CB-CE2 4.36Å; V454-F570 HydrophobicContact CB-CZ 3.66Å; V454-F570 HydrophobicContact CG1-CE1 4.25Å; V454-F570 HydrophobicContact CG1-CE2 3.86Å; V454-F570 HydrophobicContact CG1-CZ 3.55Å; V454-F570 HydrophobicContact CG2-CE2 4.27Å; V454-F570 HydrophobicContact CG2-CZ 3.77Å; V454-Y610 HydrophobicContact CG1-CD2 4.28Å; V454-Y610 HydrophobicContact CG1-CE2 4.37Å; V454-Y610 HydrophobicContact CG2-CD2 3.78Å; V454-Y610 HydrophobicContact CG2-CE1 4.25Å; V454-Y610 HydrophobicContact CG2-CE2 3.45Å; V454-Y610 VanDerWaalsContact CG2-CE2 3.45Å; V454-Y610 HydrophobicContact CG2-CG 4.31Å; V454-V612 HydrophobicContact CG1-CG2 3.75Å; V454-C626 HydrophobicContact CG1-CB 4.31Å
455	E	84.3	Confident	81.9	Confident	113 Å²	113	62.2 Å²	62.2	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-44	172.7	-74.9	-177	171.1	0	0	112.4	I451 Q457 R458 K459	I451-E455 WeakPolarHBondContact O-CG 3.34Å; I451-E455 PolarHBondContact O-N 3.48Å; E455-Q457 VanDerWaalsContact C-N 3.33Å; E455-R458 PolarHBondContact O-N 3.3Å; E455-K459 PolarHBondContact O-N 3.35Å
456	A	87.2	Confident	83.8	Confident	51 Å²	51	61.3 Å²	61.3	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-41.3	175.2	0	0	0	0	0	111.5	S452 Q453 K459 I460	S452-A456 WeakPolarHBondContact O-CB 3.21Å; S452-A456 PolarHBondContact O-N 3.14Å; S452-A456 VanDerWaalsContact O-N 3.08Å; Q453-A456 PolarHBondContact O-N 2.89Å; A456-K459 PolarHBondContact O-N 3.05Å; A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 2.95Å
457	Q	89	Confident	85.8	Confident	31 Å²	31	62.5 Å²	62.5	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-43.2	176.2	-175.6	171.4	76.6	0	0	111.8	Q453 V454 E455 K459 I460 L461 K485	Q453-Q457 WeakPolarHBondContact O-CB 3.32Å; Q453-Q457 PolarHBondContact O-N 3.33Å; V454-Q457 PolarHBondContact O-N 3.13Å; E455-Q457 VanDerWaalsContact C-N 3.33Å; Q457-K459 VanDerWaalsContact C-N 3.33Å; Q457-K459 PolarHBondContact O-N 2.94Å; Q457-I460 PolarHBondContact O-N 2.87Å; Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 2.84Å; Q457-L461 VanDerWaalsContact O-N 3.09Å; Q457-K485 HydrophobicContact CG-CD 4.38Å
458	R	93.1	Very high	87.8	Confident	82 Å²	82	60.5 Å²	60.5	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-45.4	176.1	178.1	-177.4	160.3	175.8	-0	112.2	V454 E455 I460 L461 E462 V612 G624	V454-R458 PolarHBondContact O-N 3.29Å; E455-R458 PolarHBondContact O-N 3.3Å; R458-I460 VanDerWaalsContact C-N 3.34Å; R458-I460 PolarHBondContact O-N 2.75Å; R458-L461 PolarHBondContact O-N 3.05Å; R458-L461 VanDerWaalsContact O-N 3.15Å; R458-E462 HydrophobicContact CG-CG 4.48Å; R458-E462 IonicContact CZ-OE1 3.08Å; R458-E462 IonicContact NE-OE1 3.83Å; R458-E462 PolarHBondContact NE-OE1 2.8Å; R458-E462 IonicContact NH2-OE1 2.71Å; R458-E462 PolarHBondContact NH2-OE1 3Å; R458-E462 VanDerWaalsContact NH2-OE1 3.08Å; R458-E462 WeakPolarHBondContact O-CG 3.35Å; R458-E462 PolarHBondContact O-N 2.95Å; R458-V612 HydrophobicContact CB-CG1 3.78Å; R458-V612 HydrophobicContact CG-CG1 4Å; R458-G624 PolarHBondContact NH1-O 3.21Å; R458-G624 PolarHBondContact NH2-O 2.8Å
459	K	91.9	Very high	89.7	Confident	130 Å²	130	55.2 Å²	55.2	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-59.9	-42.5	177.4	-70.9	177.3	-179.5	173.8	0	112.5	E455 A456 Q457 L461 E462 E463	E455-K459 PolarHBondContact O-N 3.35Å; A456-K459 PolarHBondContact O-N 3.05Å; Q457-K459 VanDerWaalsContact C-N 3.33Å; Q457-K459 PolarHBondContact O-N 2.94Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 2.94Å; K459-E462 WeakPolarHBondContact O-CB 3.24Å; K459-E462 PolarHBondContact O-N 3.11Å; K459-E463 WeakPolarHBondContact O-CG 3.33Å; K459-E463 PolarHBondContact O-N 3.44Å
460	I	92.6	Very high	91.1	Very high	102 Å²	102	56.2 Å²	56.2	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-40.3	176.2	-66.8	165	0	0	0	111.3	A456 Q457 R458 E463 A464	A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 2.95Å; Q457-I460 PolarHBondContact O-N 2.87Å; R458-I460 VanDerWaalsContact C-N 3.34Å; R458-I460 PolarHBondContact O-N 2.75Å; I460-E463 PolarHBondContact O-N 2.86Å; I460-A464 PolarHBondContact O-N 3.21Å
461	L	95.9	Very high	92.3	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-37.5	177.4	-57.7	-174.3	0	0	0	112	Q457 R458 K459 A464 V465 V483 K485 L527 V612 V614	Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 2.84Å; Q457-L461 VanDerWaalsContact O-N 3.09Å; R458-L461 PolarHBondContact O-N 3.05Å; R458-L461 VanDerWaalsContact O-N 3.15Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 2.94Å; L461-A464 PolarHBondContact O-N 2.75Å; L461-V465 WeakPolarHBondContact O-CG2 3.48Å; L461-V465 PolarHBondContact O-N 3.47Å; L461-V483 HydrophobicContact CB-CG1 4.3Å; L461-V483 HydrophobicContact CD1-CG1 4.19Å; L461-V483 HydrophobicContact CD2-CG1 3.85Å; L461-V483 HydrophobicContact CG-CG1 4.31Å; L461-K485 HydrophobicContact CD1-CB 3.87Å; L461-L527 HydrophobicContact CD2-CD1 3.42Å; L461-L527 VanDerWaalsContact CD2-CD1 3.42Å; L461-V612 HydrophobicContact CD1-CB 3.93Å; L461-V612 HydrophobicContact CD1-CG1 3.84Å; L461-V614 HydrophobicContact CB-CB 4.42Å; L461-V614 HydrophobicContact CB-CG2 3.68Å
462	E	96.7	Very high	93.1	Very high	42 Å²	42	55.1 Å²	55.1	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-43.7	172	-73.2	171	173.4	0	0	111.8	R458 K459 A464 V465 S466 V614 L622	R458-E462 HydrophobicContact CG-CG 4.48Å; R458-E462 IonicContact CZ-OE1 3.08Å; R458-E462 IonicContact NE-OE1 3.83Å; R458-E462 PolarHBondContact NE-OE1 2.8Å; R458-E462 IonicContact NH2-OE1 2.71Å; R458-E462 PolarHBondContact NH2-OE1 3Å; R458-E462 VanDerWaalsContact NH2-OE1 3.08Å; R458-E462 WeakPolarHBondContact O-CG 3.35Å; R458-E462 PolarHBondContact O-N 2.95Å; K459-E462 WeakPolarHBondContact O-CB 3.24Å; K459-E462 PolarHBondContact O-N 3.11Å; E462-A464 PolarHBondContact O-N 2.88Å; E462-V465 PolarHBondContact O-N 2.96Å; E462-S466 PolarHBondContact O-N 3.36Å; E462-V614 HydrophobicContact CB-CG1 4.4Å; E462-V614 HydrophobicContact CG-CG1 3.72Å; E462-V614 HydrophobicContact CG-CG2 4.03Å; E462-L622 HydrophobicContact CB-CD2 4.41Å
463	E	95.6	Very high	94	Very high	128 Å²	128	56.4 Å²	56.4	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-62.8	-40.8	174.2	-73	173.2	-172.4	0	0	112.3	K459 I460 S466 T467	K459-E463 WeakPolarHBondContact O-CG 3.33Å; K459-E463 PolarHBondContact O-N 3.44Å; I460-E463 PolarHBondContact O-N 2.86Å; E463-S466 PolarHBondContact O-N 2.8Å; E463-T467 WeakPolarHBondContact O-CB 3.37Å; E463-T467 PolarHBondContact O-N 2.85Å; E463-T467 PolarHBondContact O-OG1 3.15Å
464	A	96.8	Very high	94.4	Very high	7 Å²	7	55.4 Å²	55.4	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-42.8	176.6	0	0	0	0	0	111.9	I460 L461 E462 A468 L509 I532	I460-A464 PolarHBondContact O-N 3.21Å; L461-A464 PolarHBondContact O-N 2.75Å; E462-A464 PolarHBondContact O-N 2.88Å; A464-A468 WeakPolarHBondContact O-CB 3.26Å; A464-A468 PolarHBondContact O-N 2.82Å; A464-L509 HydrophobicContact CB-CD1 4.21Å; A464-I532 HydrophobicContact CB-CD1 3.78Å
465	V	98.4	Very high	94.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-48.5	174.3	170	0	0	0	0	110.9	L461 E462 T467 A468 L469 V481 V483 V614 L622	L461-V465 WeakPolarHBondContact O-CG2 3.48Å; L461-V465 PolarHBondContact O-N 3.47Å; E462-V465 PolarHBondContact O-N 2.96Å; V465-T467 PolarHBondContact O-N 3.45Å; V465-A468 PolarHBondContact O-N 2.97Å; V465-L469 HydrophobicContact CG1-CD1 4Å; V465-L469 WeakPolarHBondContact O-CG 3.25Å; V465-L469 PolarHBondContact O-N 2.87Å; V465-V481 HydrophobicContact CB-CG1 4.39Å; V465-V481 HydrophobicContact CG1-CB 4.13Å; V465-V481 HydrophobicContact CG1-CG1 4.31Å; V465-V481 HydrophobicContact CG2-CG1 4.05Å; V465-V483 HydrophobicContact CG2-CB 4.11Å; V465-V483 HydrophobicContact CG2-CG2 3.44Å; V465-V483 VanDerWaalsContact CG2-CG2 3.44Å; V465-V614 HydrophobicContact CB-CG1 4.19Å; V465-V614 HydrophobicContact CG2-CB 4.13Å; V465-V614 HydrophobicContact CG2-CG1 3.74Å; V465-L622 HydrophobicContact CB-CD1 3.91Å; V465-L622 HydrophobicContact CG1-CD1 3.46Å; V465-L622 VanDerWaalsContact CG1-CD1 3.46Å
466	S	97.9	Very high	95.3	Very high	41 Å²	41	56 Å²	56	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-48.5	177.9	-165.1	0	0	0	0	111.4	E462 E463 A468 L469 E470	E462-S466 PolarHBondContact O-N 3.36Å; E463-S466 PolarHBondContact O-N 2.8Å; S466-A468 VanDerWaalsContact C-N 3.31Å; S466-A468 PolarHBondContact O-N 3.02Å; S466-L469 PolarHBondContact O-N 2.92Å; S466-E470 WeakPolarHBondContact O-CB 3.4Å; S466-E470 WeakPolarHBondContact O-CG 3.47Å; S466-E470 PolarHBondContact O-N 3.07Å; S466-E470 PolarHBondContact OG-OE1 3.43Å
467	T	97.8	Very high	95.7	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-44	178.9	-59.1	0	0	0	0	111.5	E463 V465 E470 L471 I532	E463-T467 WeakPolarHBondContact O-CB 3.37Å; E463-T467 PolarHBondContact O-N 2.85Å; E463-T467 PolarHBondContact O-OG1 3.15Å; V465-T467 PolarHBondContact O-N 3.45Å; T467-E470 PolarHBondContact O-N 3.41Å; T467-L471 HydrophobicContact CG2-CD1 3.9Å; T467-L471 HydrophobicContact CG2-CG 4.47Å; T467-L471 WeakPolarHBondContact O-CB 3.34Å; T467-L471 WeakPolarHBondContact O-CD1 3.24Å; T467-L471 WeakPolarHBondContact O-CG 3.35Å; T467-L471 PolarHBondContact O-N 2.97Å; T467-I532 HydrophobicContact CG2-CG2 4.33Å
468	A	98.6	Very high	96	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-41.9	179.1	0	0	0	0	0	112	A464 V465 S466 L471 A472 V481 L509 I511 I532 V536	A464-A468 WeakPolarHBondContact O-CB 3.26Å; A464-A468 PolarHBondContact O-N 2.82Å; V465-A468 PolarHBondContact O-N 2.97Å; S466-A468 VanDerWaalsContact C-N 3.31Å; S466-A468 PolarHBondContact O-N 3.02Å; A468-L471 PolarHBondContact O-N 3.01Å; A468-A472 PolarHBondContact O-N 3.45Å; A468-A472 VanDerWaalsContact O-N 3.16Å; A468-V481 HydrophobicContact CB-CG1 3.99Å; A468-V481 HydrophobicContact CB-CG2 3.84Å; A468-L509 HydrophobicContact CB-CD1 4.3Å; A468-I511 HydrophobicContact CB-CD1 4.5Å; A468-I532 HydrophobicContact CB-CG2 3.66Å; A468-V536 HydrophobicContact CB-CG2 4.14Å
469	L	98.6	Very high	96.3	Very high	26 Å²	26	53.8 Å²	53.8	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-42.6	176.3	-69.3	169.3	0	0	0	112	V465 S466 L471 A472 S473 A479 V481	V465-L469 HydrophobicContact CG1-CD1 4Å; V465-L469 WeakPolarHBondContact O-CG 3.25Å; V465-L469 PolarHBondContact O-N 2.87Å; S466-L469 PolarHBondContact O-N 2.92Å; L469-L471 VanDerWaalsContact C-N 3.34Å; L469-L471 PolarHBondContact O-N 3.29Å; L469-A472 PolarHBondContact O-N 2.89Å; L469-S473 PolarHBondContact O-N 3.34Å; L469-A479 HydrophobicContact CD2-CB 4.1Å; L469-V481 HydrophobicContact CD2-CB 4.38Å; L469-V481 HydrophobicContact CD2-CG2 3.63Å; L469-V481 HydrophobicContact CG-CB 4.38Å; L469-V481 HydrophobicContact CG-CG2 3.81Å
470	E	97.7	Very high	96.6	Very high	132 Å²	132	48.6 Å²	48.6	62%	0.617	28%	0.278	S	S	*	.	H	α-helix	trans	-60.7	-42.4	175.8	-75	169.6	-148	0	0	111.7	S466 T467 A472 S473	S466-E470 WeakPolarHBondContact O-CB 3.4Å; S466-E470 WeakPolarHBondContact O-CG 3.47Å; S466-E470 PolarHBondContact O-N 3.07Å; S466-E470 PolarHBondContact OG-OE1 3.43Å; T467-E470 PolarHBondContact O-N 3.41Å; E470-A472 VanDerWaalsContact C-N 3.3Å; E470-A472 PolarHBondContact O-N 3.49Å; E470-S473 VanDerWaalsContact O-CB 3.28Å; E470-S473 WeakPolarHBondContact O-CB 3.04Å; E470-S473 PolarHBondContact O-N 2.89Å
471	L	97.9	Very high	96.9	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.288	25%	0.254	S	S	.	.	H	α-helix	trans	-67.8	-28.9	178.4	-73.3	169.2	0	0	0	113.4	T467 A468 L469 K475 I532 A533 V536	T467-L471 HydrophobicContact CG2-CD1 3.9Å; T467-L471 HydrophobicContact CG2-CG 4.47Å; T467-L471 WeakPolarHBondContact O-CB 3.34Å; T467-L471 WeakPolarHBondContact O-CD1 3.24Å; T467-L471 WeakPolarHBondContact O-CG 3.35Å; T467-L471 PolarHBondContact O-N 2.97Å; A468-L471 PolarHBondContact O-N 3.01Å; L469-L471 VanDerWaalsContact C-N 3.34Å; L469-L471 PolarHBondContact O-N 3.29Å; L471-K475 WeakPolarHBondContact O-CD 3.4Å; L471-K475 WeakPolarHBondContact O-CE 3.36Å; L471-K475 PolarHBondContact O-NZ 2.82Å; L471-I532 HydrophobicContact CD1-CG2 4.11Å; L471-A533 HydrophobicContact CD1-CB 3.92Å; L471-V536 HydrophobicContact CB-CB 4.38Å; L471-V536 HydrophobicContact CB-CG1 4.03Å; L471-V536 HydrophobicContact CB-CG2 4.12Å
472	A	97.9	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-81.4	-27.2	174.1	0	0	0	0	0	112.4	A468 L469 E470 G474 K475 S476 A479 I511 V513 V536	A468-A472 PolarHBondContact O-N 3.45Å; A468-A472 VanDerWaalsContact O-N 3.16Å; L469-A472 PolarHBondContact O-N 2.89Å; E470-A472 VanDerWaalsContact C-N 3.3Å; E470-A472 PolarHBondContact O-N 3.49Å; A472-G474 PolarHBondContact O-N 3.44Å; A472-K475 PolarHBondContact O-N 3.17Å; A472-S476 PolarHBondContact O-N 3.35Å; A472-S476 PolarHBondContact O-OG 2.91Å; A472-A479 HydrophobicContact CB-CB 3.95Å; A472-I511 HydrophobicContact CB-CD1 4.18Å; A472-V513 HydrophobicContact CB-CG1 4.14Å; A472-V536 HydrophobicContact CB-CG1 4Å
473	S	96	Very high	97	Very high	90 Å²	90	44.1 Å²	44.1	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.1	-178.9	-169.5	0	0	0	0	112.3	L469 E470 K475	L469-S473 PolarHBondContact O-N 3.34Å; E470-S473 VanDerWaalsContact O-CB 3.28Å; E470-S473 WeakPolarHBondContact O-CB 3.04Å; E470-S473 PolarHBondContact O-N 2.89Å; S473-K475 PolarHBondContact O-N 2.97Å; S473-K475 VanDerWaalsContact O-N 3.13Å
474	G	90.9	Very high	97	Very high	81 Å²	81	40.7 Å²	40.7	84%	0.835	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-9.7	-176.8	0	0	0	0	0	115.7	A472	A472-G474 PolarHBondContact O-N 3.44Å
475	K	95.1	Very high	96.8	Very high	109 Å²	109	42.7 Å²	42.7	47%	0.474	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-15.5	175.6	-57.2	174.9	-167.5	155.2	0	112.9	L471 A472 S473 L540	L471-K475 WeakPolarHBondContact O-CD 3.4Å; L471-K475 WeakPolarHBondContact O-CE 3.36Å; L471-K475 PolarHBondContact O-NZ 2.82Å; A472-K475 PolarHBondContact O-N 3.17Å; S473-K475 PolarHBondContact O-N 2.97Å; S473-K475 VanDerWaalsContact O-N 3.13Å; K475-L540 HydrophobicContact CB-CD1 3.91Å; K475-L540 HydrophobicContact CB-CD2 3.95Å; K475-L540 HydrophobicContact CD-CD1 3.7Å; K475-L540 HydrophobicContact CG-CD1 4.48Å
476	S	95.5	Very high	96.6	Very high	16 Å²	16	45.5 Å²	45.5	11%	0.112	28%	0.279	C	S	.	.	S	Bend	trans	-133.6	156.1	175.9	58.5	0	0	0	0	110.6	A472 G478 Y514	A472-S476 PolarHBondContact O-N 3.35Å; A472-S476 PolarHBondContact O-OG 2.91Å; S476-G478 PolarHBondContact OG-O 3.48Å; S476-Y514 CarbonylContact C-O 3.58Å; S476-Y514 WeakPolarHBondContact CB-O 3.38Å
477	D	94.9	Very high	96.4	Very high	110 Å²	110	44.9 Å²	44.9	59%	0.588	27%	0.273	S	S	*	.	S	Bend	trans	-79	-25.1	176.7	-50.1	-24.8	0	0	0	111.4	Y514 H515 Q516	D477-Y514 PolarHBondContact N-O 2.85Å; D477-H515 IonicContact OD1-CE1 3.41Å; D477-H515 IonicContact OD1-ND1 2.78Å; D477-H515 PolarHBondContact OD1-ND1 2.94Å; D477-H515 WeakPolarHBondContact OD2-CA 3.29Å; D477-H515 IonicContact OD2-ND1 2.7Å; D477-Q516 PolarHBondContact OD2-N 3.13Å
478	G	96.9	Very high	96.2	Very high	7 Å²	7	43.2 Å²	43.2	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	156.2	171.3	0	0	0	0	0	111.8	S476 Y514 S618	S476-G478 PolarHBondContact OG-O 3.48Å; G478-Y514 PolarHBondContact N-O 2.91Å; G478-Y514 VanDerWaalsContact N-O 3.14Å; G478-Y514 PolarHBondContact O-N 2.96Å; G478-S618 VanDerWaalsContact CA-OG 3.28Å; G478-S618 WeakPolarHBondContact CA-OG 3.35Å
479	A	98.6	Very high	96.1	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	151.6	177.1	0	0	0	0	0	110.8	L469 A472 T512 V513 N617 S618	L469-A479 HydrophobicContact CD2-CB 4.1Å; A472-A479 HydrophobicContact CB-CB 3.95Å; A479-T512 CarbonylContact C-O 3.5Å; A479-T512 VanDerWaalsContact CA-O 3.29Å; A479-T512 WeakPolarHBondContact CA-O 3.48Å; A479-V513 HydrophobicContact CB-CG1 4.17Å; A479-N617 CarbonylContact O-C 3.59Å; A479-N617 VanDerWaalsContact O-CA 3.24Å; A479-N617 WeakPolarHBondContact O-CA 3.5Å; A479-N617 WeakPolarHBondContact O-CB 3.22Å; A479-S618 PolarHBondContact N-OG 3.14Å; A479-S618 PolarHBondContact O-N 3.35Å; A479-S618 PolarHBondContact O-OG 3.25Å
480	E	98.6	Very high	96	Very high	21 Å²	21	43.5 Å²	43.5	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.9	172.7	66	-163.2	164.7	0	0	109.4	I511 T512 Y514 F615 G616 N617	E480-I511 WeakPolarHBondContact O-CA 3.34Å; E480-T512 PolarHBondContact N-O 3.15Å; E480-T512 PolarHBondContact O-N 3.22Å; E480-Y514 HydrophobicContact CG-CE2 4.34Å; E480-Y514 PolarHBondContact OE1-OH 3.46Å; E480-F615 HydrophobicContact CB-CE2 4.31Å; E480-F615 HydrophobicContact CB-CZ 4.13Å; E480-G616 CarbonylContact C-O 3.45Å; E480-G616 WeakPolarHBondContact CA-O 3.34Å; E480-N617 HydrophobicContact CB-CB 4.07Å
481	V	98.8	Very high	96.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131	-174.8	-176.3	0	0	0	0	107.9	V465 A468 L469 L509 G510 I511 F615 G616	V465-V481 HydrophobicContact CB-CG1 4.39Å; V465-V481 HydrophobicContact CG1-CB 4.13Å; V465-V481 HydrophobicContact CG1-CG1 4.31Å; V465-V481 HydrophobicContact CG2-CG1 4.05Å; A468-V481 HydrophobicContact CB-CG1 3.99Å; A468-V481 HydrophobicContact CB-CG2 3.84Å; L469-V481 HydrophobicContact CD2-CB 4.38Å; L469-V481 HydrophobicContact CD2-CG2 3.63Å; L469-V481 HydrophobicContact CG-CB 4.38Å; L469-V481 HydrophobicContact CG-CG2 3.81Å; V481-L509 HydrophobicContact CG1-CD1 4.06Å; V481-L509 HydrophobicContact CG1-CD2 4.02Å; V481-L509 HydrophobicContact CG1-CG 3.85Å; V481-G510 CarbonylContact C-O 3.51Å; V481-G510 VanDerWaalsContact CA-O 3.3Å; V481-G510 WeakPolarHBondContact CA-O 3.49Å; V481-I511 HydrophobicContact CG2-CB 3.98Å; V481-I511 HydrophobicContact CG2-CD1 3.79Å; V481-I511 HydrophobicContact CG2-CG1 3.7Å; V481-F615 WeakPolarHBondContact O-CA 3.32Å; V481-G616 PolarHBondContact N-O 2.88Å; V481-G616 PolarHBondContact O-N 2.88Å
482	A	98.1	Very high	96.1	Very high	48 Å²	48	36 Å²	36	40%	0.397	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.1	173.6	0	0	0	0	0	109.1	L509 G510 V614 F615	A482-L509 WeakPolarHBondContact O-CA 3.34Å; A482-G510 PolarHBondContact N-O 3.22Å; A482-G510 PolarHBondContact O-N 2.86Å; A482-V614 WeakPolarHBondContact CA-O 3.25Å; A482-F615 HydrophobicContact CB-CD2 4.11Å
483	V	97.4	Very high	96.1	Very high	3 Å²	3	36 Å²	36	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.3	171.4	-174.6	0	0	0	0	108	L461 V465 A508 L509 L527 V614	L461-V483 HydrophobicContact CB-CG1 4.3Å; L461-V483 HydrophobicContact CD1-CG1 4.19Å; L461-V483 HydrophobicContact CD2-CG1 3.85Å; L461-V483 HydrophobicContact CG-CG1 4.31Å; V465-V483 HydrophobicContact CG2-CB 4.11Å; V465-V483 HydrophobicContact CG2-CG2 3.44Å; V465-V483 VanDerWaalsContact CG2-CG2 3.44Å; V483-A508 WeakPolarHBondContact CA-O 3.41Å; V483-L509 HydrophobicContact CG2-CB 3.72Å; V483-L509 HydrophobicContact CG2-CD1 3.58Å; V483-L509 HydrophobicContact CG2-CG 3.57Å; V483-L527 HydrophobicContact CG1-CD1 4.41Å; V483-L527 HydrophobicContact CG1-CD2 4.48Å; V483-V614 PolarHBondContact N-O 3.35Å; V483-V614 PolarHBondContact O-N 3.42Å
484	S	94.1	Very high	96.2	Very high	57 Å²	57	36.2 Å²	36.2	40%	0.399	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137	168.7	59.5	0	0	0	0	109	G507 A508 V612	S484-G507 WeakPolarHBondContact O-CA 3.16Å; S484-A508 PolarHBondContact N-O 2.93Å; S484-A508 PolarHBondContact O-N 2.97Å; S484-A508 VanDerWaalsContact O-N 3.08Å; S484-V612 WeakPolarHBondContact CA-O 3.47Å
485	K	94.1	Very high	96.4	Very high	48 Å²	48	37.6 Å²	37.6	21%	0.209	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.9	169.2	-173.8	169.1	180	-178.3	0	109.8	Q457 L461 S505 D506 G611 V612	Q457-K485 HydrophobicContact CG-CD 4.38Å; L461-K485 HydrophobicContact CD1-CB 3.87Å; K485-S505 WeakPolarHBondContact CE-OG 3.45Å; K485-D506 CarbonylContact C-O 3.55Å; K485-D506 VanDerWaalsContact CA-O 3.26Å; K485-D506 WeakPolarHBondContact CA-O 3.39Å; K485-G611 CarbonylContact O-C 3.49Å; K485-G611 VanDerWaalsContact O-CA 3.23Å; K485-G611 WeakPolarHBondContact O-CA 3.4Å; K485-V612 PolarHBondContact N-O 3.31Å; K485-V612 PolarHBondContact O-N 3.47Å
486	T	94.2	Very high	96.1	Very high	60 Å²	60	33.4 Å²	33.4	37%	0.368	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.5	174.3	-58.2	0	0	0	0	108.5	S505 D506 H609 Y610	T486-S505 CarbonylContact O-C 3.56Å; T486-S505 VanDerWaalsContact O-CA 3.31Å; T486-S505 WeakPolarHBondContact O-CA 3.36Å; T486-D506 PolarHBondContact N-O 3.11Å; T486-D506 PolarHBondContact O-N 3.46Å; T486-H609 HydrophobicContact CG2-CB 4.24Å; T486-Y610 CarbonylContact C-O 3.58Å; T486-Y610 WeakPolarHBondContact CA-O 2.92Å
487	T	93.4	Very high	96.1	Very high	27 Å²	27	39.4 Å²	39.4	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.7	175.2	-58.2	0	0	0	0	109.5	N504 H609 Y610	T487-N504 CarbonylContact C-O 3.57Å; T487-N504 WeakPolarHBondContact CA-O 3.33Å; T487-H609 WeakPolarHBondContact O-CA 3.47Å; T487-Y610 VanDerWaalsContact CB-CZ 3.46Å; T487-Y610 HydrophobicContact CG2-CE1 3.93Å; T487-Y610 WeakPolarHBondContact CG2-OH 3.42Å; T487-Y610 PolarHBondContact N-O 3.03Å; T487-Y610 WeakPolarHBondContact O-CD1 3.33Å; T487-Y610 PolarHBondContact O-N 3.11Å; T487-Y610 VanDerWaalsContact O-O 3.09Å
488	G	94	Very high	96.2	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-174.1	-177.3	0	0	0	0	0	113.7	F503 N504 S608	G488-F503 WeakPolarHBondContact O-CA 3.43Å; G488-N504 PolarHBondContact N-O 3.41Å; G488-N504 PolarHBondContact O-N 2.8Å; G488-S608 CarbonylContact C-O 3.32Å; G488-S608 WeakPolarHBondContact CA-O 3.42Å
489	I	95.2	Very high	96.1	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.1	177.4	-170.2	176.2	0	0	0	109.9	V491 V501 E502 F503 P577 A580 N607 S608 H609	I489-V491 HydrophobicContact CD1-CG2 4.05Å; I489-V491 HydrophobicContact CG1-CG2 4.09Å; I489-V501 HydrophobicContact CD1-CG1 4.2Å; I489-V501 HydrophobicContact CG1-CG1 4.43Å; I489-E502 WeakPolarHBondContact CA-O 3.16Å; I489-F503 HydrophobicContact CB-CD1 4.27Å; I489-F503 HydrophobicContact CB-CE1 4.4Å; I489-F503 HydrophobicContact CD1-CD1 4.34Å; I489-F503 HydrophobicContact CD1-CE1 3.69Å; I489-F503 HydrophobicContact CD1-CZ 4.07Å; I489-F503 HydrophobicContact CG1-CD1 4.14Å; I489-F503 HydrophobicContact CG1-CE1 3.99Å; I489-P577 HydrophobicContact CD1-CB 4.19Å; I489-P577 HydrophobicContact CD1-CG 4.1Å; I489-A580 HydrophobicContact CD1-CB 4.26Å; I489-N607 WeakPolarHBondContact O-CA 3.4Å; I489-S608 PolarHBondContact N-O 3.02Å; I489-S608 PolarHBondContact O-N 3.3Å; I489-H609 PolarHBondContact O-CE1 3.09Å
490	S	97.7	Very high	95.9	Very high	23 Å²	23	45.5 Å²	45.5	16%	0.161	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.7	171.2	-77.7	0	0	0	0	108.8	E502 N607 H609	S490-E502 PolarHBondContact N-O 2.92Å; S490-E502 PolarHBondContact O-N 3.19Å; S490-N607 VanDerWaalsContact CB-OD1 3.31Å; S490-N607 WeakPolarHBondContact CB-OD1 3.24Å; S490-N607 PolarHBondContact OG-OD1 2.97Å; S490-H609 PolarHBondContact OG-CE1 3.39Å
491	V	98.1	Very high	95.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.1	176.4	177.4	0	0	0	0	109.5	I489 T493 N500 V501 A580 I581 A584 S605 F606	I489-V491 HydrophobicContact CD1-CG2 4.05Å; I489-V491 HydrophobicContact CG1-CG2 4.09Å; V491-T493 HydrophobicContact CG1-CG2 4.38Å; V491-N500 WeakPolarHBondContact CA-O 3.49Å; V491-V501 HydrophobicContact CG1-CG2 4.47Å; V491-V501 HydrophobicContact CG2-CG1 4.2Å; V491-V501 HydrophobicContact CG2-CG2 4.22Å; V491-A580 HydrophobicContact CB-CB 4.34Å; V491-A580 HydrophobicContact CG2-CB 3.65Å; V491-I581 HydrophobicContact CG1-CB 4.34Å; V491-I581 HydrophobicContact CG1-CG1 3.63Å; V491-I581 HydrophobicContact CG2-CG1 4.49Å; V491-A584 HydrophobicContact CG1-CB 4.44Å; V491-S605 VanDerWaalsContact O-CA 3.22Å; V491-S605 WeakPolarHBondContact O-CA 3.48Å; V491-S605 WeakPolarHBondContact O-CB 3.38Å; V491-S605 PolarHBondContact O-OG 3.09Å; V491-F606 PolarHBondContact N-O 3.3Å; V491-F606 PolarHBondContact O-N 2.83Å
492	S	98.2	Very high	95.6	Very high	27 Å²	27	51.2 Å²	51.2	19%	0.189	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.7	164.7	69.3	0	0	0	0	110.7	E499 N500 G604	S492-E499 PolarHBondContact O-N 3.35Å; S492-E499 PolarHBondContact OG-OE2 3.13Å; S492-N500 PolarHBondContact N-O 2.93Å; S492-N500 PolarHBondContact O-N 3.15Å; S492-N500 VanDerWaalsContact O-N 3.15Å; S492-N500 WeakPolarHBondContact OG-CB 3.29Å; S492-N500 PolarHBondContact OG-N 3.13Å; S492-G604 CarbonylContact C-O 3.58Å; S492-G604 WeakPolarHBondContact CA-O 3.36Å
493	T	98.2	Very high	95.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.7	-178.6	52.4	0	0	0	0	109	V491 E497 I581 A584 A585 E588 G603 G604	V491-T493 HydrophobicContact CG1-CG2 4.38Å; T493-E497 CarbonylContact C-O 3.57Å; T493-E497 WeakPolarHBondContact CA-O 3.49Å; T493-E497 WeakPolarHBondContact CB-O 3.5Å; T493-I581 HydrophobicContact CG2-CG2 4.26Å; T493-A584 HydrophobicContact CG2-CB 3.72Å; T493-A585 HydrophobicContact CG2-CB 4.18Å; T493-E588 PolarHBondContact OG1-OE2 2.84Å; T493-G603 CarbonylContact O-C 3.49Å; T493-G603 WeakPolarHBondContact O-CA 3.4Å; T493-G604 PolarHBondContact N-O 3.37Å; T493-G604 PolarHBondContact O-N 2.96Å; T493-G604 WeakPolarHBondContact OG1-CA 3.16Å; T493-G604 PolarHBondContact OG1-N 3.18Å; T493-G604 PolarHBondContact OG1-O 3.06Å
494	R	97.7	Very high	94.9	Very high	94 Å²	94	57.8 Å²	57.8	36%	0.355	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122	174.6	-168.4	179.1	-172.6	129.4	13.4	109.4	G496 E497 E499 E588 T601	R494-G496 PolarHBondContact O-N 3.41Å; R494-E497 PolarHBondContact N-O 3.19Å; R494-E497 PolarHBondContact O-N 3.33Å; R494-E497 VanDerWaalsContact O-N 3.15Å; R494-E499 HydrophobicContact CB-CB 4.29Å; R494-E499 IonicContact NH1-OE1 3.63Å; R494-E588 WeakPolarHBondContact CA-OE1 3.49Å; R494-T601 HydrophobicContact CG-CG2 4.24Å; R494-T601 PolarHBondContact NH2-O 3.13Å
495	Y	96.6	Very high	94.7	Very high	111 Å²	111	58.5 Å²	58.5	44%	0.435	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	36.1	-170.9	-67.2	-73.9	0	0	0	113.7	E497 E588 Q589 L592 N600 T601	Y495-E497 PolarHBondContact O-N 3.49Å; Y495-E588 PolarHBondContact N-OE1 2.93Å; Y495-E588 PolarHBondContact N-OE2 3.36Å; Y495-Q589 PolarHBondContact O-NE2 3.45Å; Y495-Q589 VanDerWaalsContact O-NE2 3.15Å; Y495-L592 HydrophobicContact CD1-CD1 3.87Å; Y495-L592 HydrophobicContact CD1-CD2 4.47Å; Y495-L592 HydrophobicContact CE1-CD1 4.45Å; Y495-L592 HydrophobicContact CE1-CD2 4.24Å; Y495-N600 PolarHBondContact OH-OD1 3.22Å; Y495-T601 HydrophobicContact CD1-CG2 3.74Å; Y495-T601 HydrophobicContact CD2-CG2 3.85Å; Y495-T601 HydrophobicContact CE1-CG2 3.75Å; Y495-T601 HydrophobicContact CE2-CG2 3.85Å; Y495-T601 HydrophobicContact CG-CG2 3.81Å
496	G	87.8	Confident	94.4	Very high	20 Å²	20	60.9 Å²	60.9	21%	0.206	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-8.5	-178.6	0	0	0	0	0	114.6	R494 E588	R494-G496 PolarHBondContact O-N 3.41Å; G496-E588 PolarHBondContact N-OE2 2.95Å
497	E	95.1	Very high	94.2	Very high	143 Å²	143	59 Å²	59	67%	0.668	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.3	175.1	-65.3	-65	153.9	0	0	110.1	T493 R494 Y495 E499	T493-E497 CarbonylContact C-O 3.57Å; T493-E497 WeakPolarHBondContact CA-O 3.49Å; T493-E497 WeakPolarHBondContact CB-O 3.5Å; R494-E497 PolarHBondContact N-O 3.19Å; R494-E497 PolarHBondContact O-N 3.33Å; R494-E497 VanDerWaalsContact O-N 3.15Å; Y495-E497 PolarHBondContact O-N 3.49Å; E497-E499 PolarHBondContact O-N 3.3Å
498	V	96.9	Very high	94.2	Very high	72 Å²	72	59.5 Å²	59.5	44%	0.436	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.9	177.5	63.7	0	0	0	0	110.7	V501 I581	V498-V501 HydrophobicContact CG2-CG2 3.49Å; V498-V501 VanDerWaalsContact CG2-CG2 3.49Å; V498-I581 HydrophobicContact CB-CD1 4.11Å; V498-I581 HydrophobicContact CB-CG1 4.27Å; V498-I581 HydrophobicContact CB-CG2 4.34Å; V498-I581 HydrophobicContact CG2-CD1 3.87Å; V498-I581 HydrophobicContact CG2-CG1 3.95Å
499	E	94.7	Very high	94.4	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-43	174.5	-173.9	-179.8	-134.4	0	0	110.6	S492 R494 E497	S492-E499 PolarHBondContact O-N 3.35Å; S492-E499 PolarHBondContact OG-OE2 3.13Å; R494-E499 HydrophobicContact CB-CB 4.29Å; R494-E499 IonicContact NH1-OE1 3.63Å; E497-E499 PolarHBondContact O-N 3.3Å
500	N	95.3	Very high	94.6	Very high	68 Å²	68	59.8 Å²	59.8	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.6	179.8	-163.4	14.7	0	0	0	112.1	V491 S492 E502	V491-N500 WeakPolarHBondContact CA-O 3.49Å; S492-N500 PolarHBondContact N-O 2.93Å; S492-N500 PolarHBondContact O-N 3.15Å; S492-N500 VanDerWaalsContact O-N 3.15Å; S492-N500 WeakPolarHBondContact OG-CB 3.29Å; S492-N500 PolarHBondContact OG-N 3.13Å; N500-E502 VanDerWaalsContact ND2-CD 3.3Å; N500-E502 WeakPolarHBondContact ND2-CG 3.34Å; N500-E502 PolarHBondContact ND2-OE1 3.24Å
501	V	96.4	Very high	94.6	Very high	50 Å²	50	58.7 Å²	58.7	30%	0.303	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112	170	-178.1	0	0	0	0	107.4	I489 V491 V498 F503 P577 I581	I489-V501 HydrophobicContact CD1-CG1 4.2Å; I489-V501 HydrophobicContact CG1-CG1 4.43Å; V491-V501 HydrophobicContact CG1-CG2 4.47Å; V491-V501 HydrophobicContact CG2-CG1 4.2Å; V491-V501 HydrophobicContact CG2-CG2 4.22Å; V498-V501 HydrophobicContact CG2-CG2 3.49Å; V498-V501 VanDerWaalsContact CG2-CG2 3.49Å; V501-F503 HydrophobicContact CG1-CE2 3.86Å; V501-F503 HydrophobicContact CG1-CZ 4.11Å; V501-P577 HydrophobicContact CG1-CB 4.43Å; V501-I581 HydrophobicContact CG2-CD1 4.13Å; V501-I581 HydrophobicContact CG2-CG1 4.34Å
502	E	95.3	Very high	94.6	Very high	92 Å²	92	59.6 Å²	59.6	43%	0.43	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.6	179.8	-70	-177.8	-176.7	0	0	110.5	I489 S490 N500	I489-E502 WeakPolarHBondContact CA-O 3.16Å; S490-E502 PolarHBondContact N-O 2.92Å; S490-E502 PolarHBondContact O-N 3.19Å; N500-E502 VanDerWaalsContact ND2-CD 3.3Å; N500-E502 WeakPolarHBondContact ND2-CG 3.34Å; N500-E502 PolarHBondContact ND2-OE1 3.24Å
503	F	93.1	Very high	94.7	Very high	145 Å²	145	58.3 Å²	58.3	64%	0.636	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.3	169.4	-60.8	-88.8	0	0	0	108.4	G488 I489 V501 P577	G488-F503 WeakPolarHBondContact O-CA 3.43Å; I489-F503 HydrophobicContact CB-CD1 4.27Å; I489-F503 HydrophobicContact CB-CE1 4.4Å; I489-F503 HydrophobicContact CD1-CD1 4.34Å; I489-F503 HydrophobicContact CD1-CE1 3.69Å; I489-F503 HydrophobicContact CD1-CZ 4.07Å; I489-F503 HydrophobicContact CG1-CD1 4.14Å; I489-F503 HydrophobicContact CG1-CE1 3.99Å; V501-F503 HydrophobicContact CG1-CE2 3.86Å; V501-F503 HydrophobicContact CG1-CZ 4.11Å; F503-P577 HydrophobicContact CE1-CG 4.16Å; F503-P577 HydrophobicContact CZ-CB 4.49Å; F503-P577 HydrophobicContact CZ-CG 3.62Å
504	N	86.6	Confident	94.7	Very high	45 Å²	45	59 Å²	59	24%	0.241	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.5	179.8	-70.8	66.2	0	0	0	109.6	T487 G488 D506	T487-N504 CarbonylContact C-O 3.57Å; T487-N504 WeakPolarHBondContact CA-O 3.33Å; G488-N504 PolarHBondContact N-O 3.41Å; G488-N504 PolarHBondContact O-N 2.8Å; N504-D506 PolarHBondContact ND2-OD2 2.78Å
505	S	89.8	Confident	94.6	Very high	71 Å²	71	57.6 Å²	57.6	50%	0.497	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	64.3	169	169.4	0	0	0	0	109	K485 T486	K485-S505 WeakPolarHBondContact CE-OG 3.45Å; T486-S505 CarbonylContact O-C 3.56Å; T486-S505 VanDerWaalsContact O-CA 3.31Å; T486-S505 WeakPolarHBondContact O-CA 3.36Å
506	D	88.3	Confident	94.4	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.6	-174.2	-60.4	-62.1	0	0	0	110.6	K485 T486 N504	K485-D506 CarbonylContact C-O 3.55Å; K485-D506 VanDerWaalsContact CA-O 3.26Å; K485-D506 WeakPolarHBondContact CA-O 3.39Å; T486-D506 PolarHBondContact N-O 3.11Å; T486-D506 PolarHBondContact O-N 3.46Å; N504-D506 PolarHBondContact ND2-OD2 2.78Å
507	G	89.6	Confident	94.6	Very high	20 Å²	20	61.1 Å²	61.1	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.9	174.7	0	0	0	0	0	112.6	S484 T525	S484-G507 WeakPolarHBondContact O-CA 3.16Å; G507-T525 WeakPolarHBondContact O-CA 3.48Å
508	A	94.7	Very high	94.7	Very high	38 Å²	38	57.8 Å²	57.8	31%	0.314	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.7	178.9	0	0	0	0	0	111	V483 S484 S524 T525	V483-A508 WeakPolarHBondContact CA-O 3.41Å; S484-A508 PolarHBondContact N-O 2.93Å; S484-A508 PolarHBondContact O-N 2.97Å; S484-A508 VanDerWaalsContact O-N 3.08Å; A508-S524 WeakPolarHBondContact CA-O 3.11Å; A508-T525 HydrophobicContact CB-CG2 4.25Å
509	L	97.6	Very high	94.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124	167	-176.1	149.9	0	0	0	108.8	A464 A468 V481 A482 V483 I511 S523 S524 L527 I532	A464-L509 HydrophobicContact CB-CD1 4.21Å; A468-L509 HydrophobicContact CB-CD1 4.3Å; V481-L509 HydrophobicContact CG1-CD1 4.06Å; V481-L509 HydrophobicContact CG1-CD2 4.02Å; V481-L509 HydrophobicContact CG1-CG 3.85Å; A482-L509 WeakPolarHBondContact O-CA 3.34Å; V483-L509 HydrophobicContact CG2-CB 3.72Å; V483-L509 HydrophobicContact CG2-CD1 3.58Å; V483-L509 HydrophobicContact CG2-CG 3.57Å; L509-I511 HydrophobicContact CD2-CB 4.42Å; L509-I511 HydrophobicContact CD2-CG2 4.47Å; L509-S523 CarbonylContact O-C 3.45Å; L509-S523 WeakPolarHBondContact O-CA 3.19Å; L509-S523 VanDerWaalsContact O-CB 3.31Å; L509-S523 WeakPolarHBondContact O-CB 3.1Å; L509-S524 PolarHBondContact N-O 3.22Å; L509-S524 PolarHBondContact O-N 3.21Å; L509-L527 HydrophobicContact CB-CD2 3.52Å; L509-L527 HydrophobicContact CD1-CD2 4.29Å; L509-I532 HydrophobicContact CD1-CD1 4.33Å; L509-I532 HydrophobicContact CD1-CG1 4.22Å
510	G	98.4	Very high	95	Very high	28 Å²	28	53.6 Å²	53.6	29%	0.289	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.5	168.7	0	0	0	0	0	110	V481 A482	V481-G510 CarbonylContact C-O 3.51Å; V481-G510 VanDerWaalsContact CA-O 3.3Å; V481-G510 WeakPolarHBondContact CA-O 3.49Å; A482-G510 PolarHBondContact N-O 3.22Å; A482-G510 PolarHBondContact O-N 2.86Å
511	I	98.7	Very high	95.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.9	172	179.2	168.8	0	0	0	109.9	A468 A472 E480 V481 L509 V513 S521 A522 T535 V536 A539	A468-I511 HydrophobicContact CB-CD1 4.5Å; A472-I511 HydrophobicContact CB-CD1 4.18Å; E480-I511 WeakPolarHBondContact O-CA 3.34Å; V481-I511 HydrophobicContact CG2-CB 3.98Å; V481-I511 HydrophobicContact CG2-CD1 3.79Å; V481-I511 HydrophobicContact CG2-CG1 3.7Å; L509-I511 HydrophobicContact CD2-CB 4.42Å; L509-I511 HydrophobicContact CD2-CG2 4.47Å; I511-V513 HydrophobicContact CD1-CG1 3.87Å; I511-V513 HydrophobicContact CG1-CG1 3.99Å; I511-S521 VanDerWaalsContact O-CA 3.26Å; I511-S521 WeakPolarHBondContact O-CA 3.42Å; I511-A522 PolarHBondContact N-O 3.5Å; I511-A522 PolarHBondContact O-N 2.98Å; I511-T535 HydrophobicContact CG2-CG2 3.81Å; I511-V536 HydrophobicContact CD1-CB 4.35Å; I511-V536 HydrophobicContact CD1-CG1 4.31Å; I511-V536 HydrophobicContact CD1-CG2 3.73Å; I511-A539 HydrophobicContact CG2-CB 4.1Å
512	T	98.7	Very high	95.2	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.9	165.5	-62.9	0	0	0	0	109.6	A479 E480 Y514 K519 G520 S521	A479-T512 CarbonylContact C-O 3.5Å; A479-T512 VanDerWaalsContact CA-O 3.29Å; A479-T512 WeakPolarHBondContact CA-O 3.48Å; E480-T512 PolarHBondContact N-O 3.15Å; E480-T512 PolarHBondContact O-N 3.22Å; T512-Y514 HydrophobicContact CG2-CD2 4.47Å; T512-Y514 HydrophobicContact CG2-CE1 4Å; T512-Y514 HydrophobicContact CG2-CE2 3.74Å; T512-Y514 VanDerWaalsContact CG2-CZ 3.45Å; T512-Y514 WeakPolarHBondContact CG2-OH 3.23Å; T512-K519 HydrophobicContact CG2-CD 4.03Å; T512-K519 VanDerWaalsContact CG2-CE 3.48Å; T512-K519 HydrophobicContact CG2-CG 3.76Å; T512-G520 CarbonylContact C-O 3.54Å; T512-G520 WeakPolarHBondContact CA-O 3.23Å; T512-S521 WeakPolarHBondContact CG2-OG 3.35Å; T512-S521 PolarHBondContact OG1-OG 3.33Å
513	V	98.7	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	176	-57.3	0	0	0	0	110.7	A472 A479 I511 K519 G520 A539 L540 A543	A472-V513 HydrophobicContact CB-CG1 4.14Å; A479-V513 HydrophobicContact CB-CG1 4.17Å; I511-V513 HydrophobicContact CD1-CG1 3.87Å; I511-V513 HydrophobicContact CG1-CG1 3.99Å; V513-K519 WeakPolarHBondContact O-CA 3.48Å; V513-G520 PolarHBondContact N-O 3.44Å; V513-G520 PolarHBondContact O-N 2.73Å; V513-A539 HydrophobicContact CG1-CB 4.23Å; V513-A539 VanDerWaalsContact CG2-C 3.48Å; V513-A539 HydrophobicContact CG2-CB 3.91Å; V513-A539 WeakPolarHBondContact CG2-O 3.22Å; V513-L540 HydrophobicContact CB-CD2 4.27Å; V513-L540 HydrophobicContact CG1-CD2 4.34Å; V513-L540 HydrophobicContact CG2-CD2 3.96Å; V513-L540 HydrophobicContact CG2-CG 4.29Å; V513-A543 HydrophobicContact CG2-CB 4.05Å
514	Y	98	Very high	95.5	Very high	14 Å²	14	45.7 Å²	45.7	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.2	-178.3	-57.6	-81.9	0	0	0	109.1	S476 D477 G478 E480 T512 R518 K519 A552 G553 V554	S476-Y514 CarbonylContact C-O 3.58Å; S476-Y514 WeakPolarHBondContact CB-O 3.38Å; D477-Y514 PolarHBondContact N-O 2.85Å; G478-Y514 PolarHBondContact N-O 2.91Å; G478-Y514 VanDerWaalsContact N-O 3.14Å; G478-Y514 PolarHBondContact O-N 2.96Å; E480-Y514 HydrophobicContact CG-CE2 4.34Å; E480-Y514 PolarHBondContact OE1-OH 3.46Å; T512-Y514 HydrophobicContact CG2-CD2 4.47Å; T512-Y514 HydrophobicContact CG2-CE1 4Å; T512-Y514 HydrophobicContact CG2-CE2 3.74Å; T512-Y514 VanDerWaalsContact CG2-CZ 3.45Å; T512-Y514 WeakPolarHBondContact CG2-OH 3.23Å; Y514-R518 CarbonylContact C-O 3.3Å; Y514-R518 VanDerWaalsContact CA-O 3.32Å; Y514-R518 WeakPolarHBondContact CA-O 3.33Å; Y514-K519 HydrophobicContact CD1-CB 4.18Å; Y514-K519 HydrophobicContact CD1-CG 4.34Å; Y514-K519 HydrophobicContact CE1-CB 4.14Å; Y514-K519 HydrophobicContact CE1-CD 3.91Å; Y514-K519 HydrophobicContact CE1-CG 3.91Å; Y514-A552 HydrophobicContact CD1-CB 4.19Å; Y514-A552 HydrophobicContact CE1-CB 4.09Å; Y514-G553 VanDerWaalsContact CE1-N 3.32Å; Y514-V554 HydrophobicContact CD2-CG2 3.79Å; Y514-V554 HydrophobicContact CE2-CG2 3.89Å
515	H	95.7	Very high	95.9	Very high	65 Å²	65	49.2 Å²	49.2	30%	0.301	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	123.2	175.7	-175.2	59.3	0	0	0	110.6	D477 N517 R518	D477-H515 IonicContact OD1-CE1 3.41Å; D477-H515 IonicContact OD1-ND1 2.78Å; D477-H515 PolarHBondContact OD1-ND1 2.94Å; D477-H515 WeakPolarHBondContact OD2-CA 3.29Å; D477-H515 IonicContact OD2-ND1 2.7Å; H515-N517 VanDerWaalsContact C-N 3.3Å; H515-N517 PolarHBondContact O-N 3.05Å; H515-R518 PolarHBondContact N-O 3.34Å; H515-R518 WeakPolarHBondContact O-CA 3.36Å; H515-R518 WeakPolarHBondContact O-CB 3.3Å; H515-R518 PolarHBondContact O-N 2.95Å
516	Q	92.7	Very high	96	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.584	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.7	-176.5	-58.8	179.3	-14.6	0	0	112.5	D477 R518	D477-Q516 PolarHBondContact OD2-N 3.13Å; Q516-R518 PolarHBondContact O-N 3.05Å
517	N	92.8	Very high	96	Very high	81 Å²	81	46.8 Å²	46.8	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	14.8	-173.6	-56.9	-34.2	0	0	0	114.6	H515 P548 D549	H515-N517 VanDerWaalsContact C-N 3.3Å; H515-N517 PolarHBondContact O-N 3.05Å; N517-P548 HydrophobicContact CB-CB 4.25Å; N517-P548 CarbonylContact O-C 3.55Å; N517-P548 WeakPolarHBondContact O-CA 3.43Å; N517-D549 PolarHBondContact O-N 3.36Å
518	R	97.7	Very high	96	Very high	73 Å²	73	47.9 Å²	47.9	28%	0.275	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.1	175.8	-55.7	176.8	174.3	-110.9	-14	109.7	Y514 H515 Q516 A543 R544 T546 P548	Y514-R518 CarbonylContact C-O 3.3Å; Y514-R518 VanDerWaalsContact CA-O 3.32Å; Y514-R518 WeakPolarHBondContact CA-O 3.33Å; H515-R518 PolarHBondContact N-O 3.34Å; H515-R518 WeakPolarHBondContact O-CA 3.36Å; H515-R518 WeakPolarHBondContact O-CB 3.3Å; H515-R518 PolarHBondContact O-N 2.95Å; Q516-R518 PolarHBondContact O-N 3.05Å; R518-A543 WeakPolarHBondContact CB-O 3.45Å; R518-A543 WeakPolarHBondContact CD-O 3.38Å; R518-R544 PolarHBondContact NH1-O 2.87Å; R518-T546 WeakPolarHBondContact CB-OG1 3.42Å; R518-T546 WeakPolarHBondContact CD-O 3.36Å; R518-T546 WeakPolarHBondContact CG-O 3.36Å; R518-T546 VanDerWaalsContact CZ-O 3.24Å; R518-T546 PolarHBondContact NH1-O 2.92Å; R518-P548 HydrophobicContact CG-CB 4.48Å; R518-P548 HydrophobicContact CG-CG 4.18Å
519	K	97.9	Very high	95.9	Very high	89 Å²	89	50.8 Å²	50.8	39%	0.387	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.1	-175.8	175.7	175.1	172.4	143.6	0	110.3	T512 V513 Y514 S521 T546 A552	T512-K519 HydrophobicContact CG2-CD 4.03Å; T512-K519 VanDerWaalsContact CG2-CE 3.48Å; T512-K519 HydrophobicContact CG2-CG 3.76Å; V513-K519 WeakPolarHBondContact O-CA 3.48Å; Y514-K519 HydrophobicContact CD1-CB 4.18Å; Y514-K519 HydrophobicContact CD1-CG 4.34Å; Y514-K519 HydrophobicContact CE1-CB 4.14Å; Y514-K519 HydrophobicContact CE1-CD 3.91Å; Y514-K519 HydrophobicContact CE1-CG 3.91Å; K519-S521 WeakPolarHBondContact CE-OG 3.44Å; K519-T546 PolarHBondContact N-OG1 3.33Å; K519-T546 WeakPolarHBondContact O-CG2 3.27Å; K519-T546 PolarHBondContact O-OG1 2.96Å; K519-A552 HydrophobicContact CB-CB 4.43Å
520	G	98.4	Very high	95.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140	167.3	0	0	0	0	0	110.8	T512 V513 A539	T512-G520 CarbonylContact C-O 3.54Å; T512-G520 WeakPolarHBondContact CA-O 3.23Å; V513-G520 PolarHBondContact N-O 3.44Å; V513-G520 PolarHBondContact O-N 2.73Å; G520-A539 WeakPolarHBondContact CA-O 3.41Å
521	S	98.6	Very high	95.6	Very high	52 Å²	52	56.4 Å²	56.4	36%	0.364	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.2	-177.7	-58.6	0	0	0	0	110	I511 T512 K519 I542	I511-S521 VanDerWaalsContact O-CA 3.26Å; I511-S521 WeakPolarHBondContact O-CA 3.42Å; T512-S521 WeakPolarHBondContact CG2-OG 3.35Å; T512-S521 PolarHBondContact OG1-OG 3.33Å; K519-S521 WeakPolarHBondContact CE-OG 3.44Å; S521-I542 VanDerWaalsContact O-CD1 3.25Å; S521-I542 WeakPolarHBondContact O-CD1 3.43Å
522	A	98.5	Very high	95.6	Very high	21 Å²	21	56.6 Å²	56.6	17%	0.174	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.6	173.9	0	0	0	0	0	109.5	I511 T535 A538 A539	I511-A522 PolarHBondContact N-O 3.5Å; I511-A522 PolarHBondContact O-N 2.98Å; A522-T535 HydrophobicContact CB-CG2 3.72Å; A522-T535 WeakPolarHBondContact CB-O 3.48Å; A522-A538 HydrophobicContact CB-CB 3.99Å; A522-A539 HydrophobicContact CB-CB 4.01Å
523	S	98.1	Very high	95.5	Very high	92 Å²	92	57.5 Å²	57.5	64%	0.643	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	158.1	176.5	60.8	0	0	0	0	111.6	L509	L509-S523 CarbonylContact O-C 3.45Å; L509-S523 WeakPolarHBondContact O-CA 3.19Å; L509-S523 VanDerWaalsContact O-CB 3.31Å; L509-S523 WeakPolarHBondContact O-CB 3.1Å
524	S	97.1	Very high	95.5	Very high	24 Å²	24	64.2 Å²	64.2	17%	0.168	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.9	177	176.5	0	0	0	0	110.1	A508 L509 D526 T535	A508-S524 WeakPolarHBondContact CA-O 3.11Å; L509-S524 PolarHBondContact N-O 3.22Å; L509-S524 PolarHBondContact O-N 3.21Å; S524-D526 PolarHBondContact OG-N 2.92Å; S524-D526 PolarHBondContact OG-O 2.63Å; S524-T535 VanDerWaalsContact CB-OG1 3.23Å; S524-T535 WeakPolarHBondContact CB-OG1 3.46Å
525	T	94.5	Very high	95.6	Very high	118 Å²	118	64.1 Å²	64.1	72%	0.724	35%	0.347	S	S	*	.	S	Bend	trans	-87.2	-15	167.9	53.1	0	0	0	0	112.3	G507 A508	G507-T525 WeakPolarHBondContact O-CA 3.48Å; A508-T525 HydrophobicContact CB-CG2 4.25Å
526	D	91.3	Very high	95.7	Very high	72 Å²	72	61.1 Å²	61.1	39%	0.385	33%	0.333	S	S	.	.			trans	-87.5	116	171.5	179.5	2.1	0	0	0	109.6	S524 S528 A531	S524-D526 PolarHBondContact OG-N 2.92Å; S524-D526 PolarHBondContact OG-O 2.63Å; D526-S528 VanDerWaalsContact CG-OG 3.26Å; D526-S528 WeakPolarHBondContact OD1-CB 3.45Å; D526-S528 PolarHBondContact OD1-N 3.05Å; D526-S528 PolarHBondContact OD1-OG 3.49Å; D526-S528 PolarHBondContact OD2-OG 2.72Å; D526-S528 VanDerWaalsContact OD2-OG 3.06Å; D526-A531 HydrophobicContact CB-CB 3.7Å; D526-A531 VanDerWaalsContact CG-CB 3.42Å; D526-A531 VanDerWaalsContact O-CB 3.25Å; D526-A531 WeakPolarHBondContact O-CB 3.45Å; D526-A531 WeakPolarHBondContact OD2-CB 3.38Å
527	L	88.4	Confident	96	Very high	47 Å²	47	58.6 Å²	58.6	25%	0.246	32%	0.322	C	S	.	.			trans	-94.2	10.5	179.6	-56.7	-177.5	0	0	0	112.9	L461 V483 L509 I532	L461-L527 HydrophobicContact CD2-CD1 3.42Å; L461-L527 VanDerWaalsContact CD2-CD1 3.42Å; V483-L527 HydrophobicContact CG1-CD1 4.41Å; V483-L527 HydrophobicContact CG1-CD2 4.48Å; L509-L527 HydrophobicContact CB-CD2 3.52Å; L509-L527 HydrophobicContact CD1-CD2 4.29Å; L527-I532 WeakPolarHBondContact O-CD1 3.34Å
528	S	90.4	Very high	96.3	Very high	43 Å²	43	56.7 Å²	56.7	30%	0.301	32%	0.317	S	S	.	.	S	Bend	trans	-62.4	147	173.1	69	0	0	0	0	110.9	D526 Q530 A531 I532	D526-S528 VanDerWaalsContact CG-OG 3.26Å; D526-S528 WeakPolarHBondContact OD1-CB 3.45Å; D526-S528 PolarHBondContact OD1-N 3.05Å; D526-S528 PolarHBondContact OD1-OG 3.49Å; D526-S528 PolarHBondContact OD2-OG 2.72Å; D526-S528 VanDerWaalsContact OD2-OG 3.06Å; S528-Q530 PolarHBondContact O-N 3.07Å; S528-A531 PolarHBondContact O-N 3.4Å; S528-A531 WeakPolarHBondContact OG-CB 3.42Å; S528-A531 PolarHBondContact OG-N 3.09Å; S528-I532 WeakPolarHBondContact O-CG1 3.31Å; S528-I532 PolarHBondContact O-N 2.92Å
529	P	91.9	Very high	96.3	Very high	99 Å²	99	53.2 Å²	53.2	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-53.2	-35.7	-178.3	-29.7	35.3	0	0	0	114.1	A533	P529-A533 WeakPolarHBondContact O-CB 3.44Å; P529-A533 PolarHBondContact O-N 2.86Å
530	Q	94	Very high	96.3	Very high	146 Å²	146	49.4 Å²	49.4	68%	0.682	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-39.5	177.7	-64	-176.9	1	0	0	112.5	S528 A533 R534	S528-Q530 PolarHBondContact O-N 3.07Å; Q530-A533 PolarHBondContact O-N 2.88Å; Q530-R534 WeakPolarHBondContact O-CG 3.22Å; Q530-R534 PolarHBondContact O-N 3.25Å
531	A	96.4	Very high	96.3	Very high	1 Å²	1	52 Å²	52	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-41.1	176.2	0	0	0	0	0	111.4	D526 S528 A533 R534 T535	D526-A531 HydrophobicContact CB-CB 3.7Å; D526-A531 VanDerWaalsContact CG-CB 3.42Å; D526-A531 VanDerWaalsContact O-CB 3.25Å; D526-A531 WeakPolarHBondContact O-CB 3.45Å; D526-A531 WeakPolarHBondContact OD2-CB 3.38Å; S528-A531 PolarHBondContact O-N 3.4Å; S528-A531 WeakPolarHBondContact OG-CB 3.42Å; S528-A531 PolarHBondContact OG-N 3.09Å; A531-A533 VanDerWaalsContact C-N 3.35Å; A531-A533 PolarHBondContact O-N 2.87Å; A531-R534 PolarHBondContact O-N 2.96Å; A531-T535 WeakPolarHBondContact O-CB 3.47Å; A531-T535 PolarHBondContact O-N 3.36Å; A531-T535 PolarHBondContact O-OG1 3.47Å
532	I	97.5	Very high	96.3	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-49.9	172.5	-64.2	174.7	0	0	0	110	A464 T467 A468 L471 L509 L527 S528 R534 T535 V536	A464-I532 HydrophobicContact CB-CD1 3.78Å; T467-I532 HydrophobicContact CG2-CG2 4.33Å; A468-I532 HydrophobicContact CB-CG2 3.66Å; L471-I532 HydrophobicContact CD1-CG2 4.11Å; L509-I532 HydrophobicContact CD1-CD1 4.33Å; L509-I532 HydrophobicContact CD1-CG1 4.22Å; L527-I532 WeakPolarHBondContact O-CD1 3.34Å; S528-I532 WeakPolarHBondContact O-CG1 3.31Å; S528-I532 PolarHBondContact O-N 2.92Å; I532-R534 PolarHBondContact O-N 3.28Å; I532-T535 WeakPolarHBondContact O-CB 3.25Å; I532-T535 PolarHBondContact O-N 3.4Å; I532-T535 VanDerWaalsContact O-N 3.12Å; I532-V536 HydrophobicContact CG2-CG2 4.28Å; I532-V536 VanDerWaalsContact O-CG2 3.25Å; I532-V536 WeakPolarHBondContact O-CG2 3.38Å; I532-V536 PolarHBondContact O-N 3.18Å
533	A	97.9	Very high	96.2	Very high	40 Å²	40	52.5 Å²	52.5	33%	0.331	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-42.6	179	0	0	0	0	0	113.5	L471 P529 Q530 A531 T535 Q537	L471-A533 HydrophobicContact CD1-CB 3.92Å; P529-A533 WeakPolarHBondContact O-CB 3.44Å; P529-A533 PolarHBondContact O-N 2.86Å; Q530-A533 PolarHBondContact O-N 2.88Å; A531-A533 VanDerWaalsContact C-N 3.35Å; A531-A533 PolarHBondContact O-N 2.87Å; A533-T535 VanDerWaalsContact C-N 3.34Å; A533-Q537 WeakPolarHBondContact O-CB 3.35Å; A533-Q537 PolarHBondContact O-N 3.03Å
534	R	98.4	Very high	96	Very high	141 Å²	141	55.5 Å²	55.5	53%	0.532	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.3	-72.5	-172.5	-58.4	-95.1	1.8	112	Q530 A531 I532 Q537 A538	Q530-R534 WeakPolarHBondContact O-CG 3.22Å; Q530-R534 PolarHBondContact O-N 3.25Å; A531-R534 PolarHBondContact O-N 2.96Å; I532-R534 PolarHBondContact O-N 3.28Å; R534-Q537 PolarHBondContact O-N 3.24Å; R534-A538 WeakPolarHBondContact O-CB 3.29Å; R534-A538 PolarHBondContact O-N 2.85Å
535	T	98.7	Very high	95.9	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-46	179.4	-53.1	0	0	0	0	110.7	I511 A522 S524 A531 I532 A533 Q537 A538 A539	I511-T535 HydrophobicContact CG2-CG2 3.81Å; A522-T535 HydrophobicContact CB-CG2 3.72Å; A522-T535 WeakPolarHBondContact CB-O 3.48Å; S524-T535 VanDerWaalsContact CB-OG1 3.23Å; S524-T535 WeakPolarHBondContact CB-OG1 3.46Å; A531-T535 WeakPolarHBondContact O-CB 3.47Å; A531-T535 PolarHBondContact O-N 3.36Å; A531-T535 PolarHBondContact O-OG1 3.47Å; I532-T535 WeakPolarHBondContact O-CB 3.25Å; I532-T535 PolarHBondContact O-N 3.4Å; I532-T535 VanDerWaalsContact O-N 3.12Å; A533-T535 VanDerWaalsContact C-N 3.34Å; T535-Q537 VanDerWaalsContact C-N 3.34Å; T535-Q537 PolarHBondContact O-N 3.04Å; T535-A538 PolarHBondContact O-N 3.03Å; T535-A539 PolarHBondContact O-N 3.22Å
536	V	98.7	Very high	96	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-46.7	173.8	174.8	0	0	0	0	110.6	A468 L471 A472 I511 I532 A538 A539 L540	A468-V536 HydrophobicContact CB-CG2 4.14Å; L471-V536 HydrophobicContact CB-CB 4.38Å; L471-V536 HydrophobicContact CB-CG1 4.03Å; L471-V536 HydrophobicContact CB-CG2 4.12Å; A472-V536 HydrophobicContact CB-CG1 4Å; I511-V536 HydrophobicContact CD1-CB 4.35Å; I511-V536 HydrophobicContact CD1-CG1 4.31Å; I511-V536 HydrophobicContact CD1-CG2 3.73Å; I532-V536 HydrophobicContact CG2-CG2 4.28Å; I532-V536 VanDerWaalsContact O-CG2 3.25Å; I532-V536 WeakPolarHBondContact O-CG2 3.38Å; I532-V536 PolarHBondContact O-N 3.18Å; V536-A538 PolarHBondContact O-N 3.31Å; V536-A539 PolarHBondContact O-N 3.01Å; V536-L540 HydrophobicContact CG1-CD1 4.04Å; V536-L540 WeakPolarHBondContact O-CG 3.48Å; V536-L540 PolarHBondContact O-N 3.23Å
537	Q	98.5	Very high	96.3	Very high	73 Å²	73	62.2 Å²	62.2	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-42	179	-173.3	55.5	52.7	0	0	111.9	A533 R534 T535 A539 L540 D541	A533-Q537 WeakPolarHBondContact O-CB 3.35Å; A533-Q537 PolarHBondContact O-N 3.03Å; R534-Q537 PolarHBondContact O-N 3.24Å; T535-Q537 VanDerWaalsContact C-N 3.34Å; T535-Q537 PolarHBondContact O-N 3.04Å; Q537-A539 PolarHBondContact O-N 2.98Å; Q537-L540 PolarHBondContact O-N 2.81Å; Q537-D541 VanDerWaalsContact NE2-CG 3.27Å; Q537-D541 PolarHBondContact NE2-OD1 3.45Å; Q537-D541 VanDerWaalsContact NE2-OD1 3.11Å; Q537-D541 PolarHBondContact NE2-OD2 2.94Å; Q537-D541 PolarHBondContact O-N 3.48Å
538	A	98.7	Very high	96.6	Very high	40 Å²	40	63.4 Å²	63.4	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-43.8	175.6	0	0	0	0	0	111.9	A522 R534 T535 V536 L540 D541 I542	A522-A538 HydrophobicContact CB-CB 3.99Å; R534-A538 WeakPolarHBondContact O-CB 3.29Å; R534-A538 PolarHBondContact O-N 2.85Å; T535-A538 PolarHBondContact O-N 3.03Å; V536-A538 PolarHBondContact O-N 3.31Å; A538-L540 VanDerWaalsContact C-N 3.34Å; A538-L540 PolarHBondContact O-N 3.22Å; A538-D541 PolarHBondContact O-N 3.15Å; A538-I542 WeakPolarHBondContact O-CB 3.24Å; A538-I542 WeakPolarHBondContact O-CD1 3.34Å; A538-I542 VanDerWaalsContact O-CG1 3.22Å; A538-I542 WeakPolarHBondContact O-CG1 3.19Å; A538-I542 PolarHBondContact O-N 3.05Å
539	A	98.7	Very high	96.9	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-43.1	175.3	0	0	0	0	0	111.6	I511 V513 G520 A522 T535 V536 Q537 I542 A543	I511-A539 HydrophobicContact CG2-CB 4.1Å; V513-A539 HydrophobicContact CG1-CB 4.23Å; V513-A539 VanDerWaalsContact CG2-C 3.48Å; V513-A539 HydrophobicContact CG2-CB 3.91Å; V513-A539 WeakPolarHBondContact CG2-O 3.22Å; G520-A539 WeakPolarHBondContact CA-O 3.41Å; A522-A539 HydrophobicContact CB-CB 4.01Å; T535-A539 PolarHBondContact O-N 3.22Å; V536-A539 PolarHBondContact O-N 3.01Å; Q537-A539 PolarHBondContact O-N 2.98Å; A539-I542 PolarHBondContact O-N 2.89Å; A539-A543 PolarHBondContact O-N 2.9Å
540	L	98.3	Very high	97.1	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-43.2	176.2	-70.5	167	0	0	0	112.3	K475 V513 V536 Q537 A538 A543 R544	K475-L540 HydrophobicContact CB-CD1 3.91Å; K475-L540 HydrophobicContact CB-CD2 3.95Å; K475-L540 HydrophobicContact CD-CD1 3.7Å; K475-L540 HydrophobicContact CG-CD1 4.48Å; V513-L540 HydrophobicContact CB-CD2 4.27Å; V513-L540 HydrophobicContact CG1-CD2 4.34Å; V513-L540 HydrophobicContact CG2-CD2 3.96Å; V513-L540 HydrophobicContact CG2-CG 4.29Å; V536-L540 HydrophobicContact CG1-CD1 4.04Å; V536-L540 WeakPolarHBondContact O-CG 3.48Å; V536-L540 PolarHBondContact O-N 3.23Å; Q537-L540 PolarHBondContact O-N 2.81Å; A538-L540 VanDerWaalsContact C-N 3.34Å; A538-L540 PolarHBondContact O-N 3.22Å; L540-A543 PolarHBondContact O-N 3.29Å; L540-R544 WeakPolarHBondContact O-CG 3.34Å; L540-R544 PolarHBondContact O-N 3.35Å
541	D	98	Very high	97.2	Very high	56 Å²	56	57.1 Å²	57.1	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-40.4	179.3	-71.3	-34.7	0	0	0	111.7	Q537 A538 A543 R544 Y545	Q537-D541 VanDerWaalsContact NE2-CG 3.27Å; Q537-D541 PolarHBondContact NE2-OD1 3.45Å; Q537-D541 VanDerWaalsContact NE2-OD1 3.11Å; Q537-D541 PolarHBondContact NE2-OD2 2.94Å; Q537-D541 PolarHBondContact O-N 3.48Å; A538-D541 PolarHBondContact O-N 3.15Å; D541-A543 VanDerWaalsContact C-N 3.34Å; D541-A543 PolarHBondContact O-N 3.16Å; D541-R544 WeakPolarHBondContact O-CB 3.19Å; D541-R544 PolarHBondContact O-N 3.07Å; D541-R544 IonicContact OD1-CZ 3.7Å; D541-R544 IonicContact OD1-NH1 3.02Å; D541-R544 PolarHBondContact OD1-NH1 2.95Å; D541-Y545 VanDerWaalsContact O-CD2 3.22Å; D541-Y545 WeakPolarHBondContact O-CD2 3.32Å
542	I	98.3	Very high	97.2	Very high	79 Å²	79	57.7 Å²	57.7	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-46.9	172.7	-68.1	162.9	0	0	0	110.2	S521 A538 A539 R544 Y545 T546	S521-I542 VanDerWaalsContact O-CD1 3.25Å; S521-I542 WeakPolarHBondContact O-CD1 3.43Å; A538-I542 WeakPolarHBondContact O-CB 3.24Å; A538-I542 WeakPolarHBondContact O-CD1 3.34Å; A538-I542 VanDerWaalsContact O-CG1 3.22Å; A538-I542 WeakPolarHBondContact O-CG1 3.19Å; A538-I542 PolarHBondContact O-N 3.05Å; A539-I542 PolarHBondContact O-N 2.89Å; I542-R544 PolarHBondContact O-N 3.25Å; I542-Y545 PolarHBondContact O-N 3.46Å; I542-T546 HydrophobicContact CG2-CG2 4.12Å; I542-T546 WeakPolarHBondContact O-CG2 3.49Å; I542-T546 PolarHBondContact O-N 3.47Å
543	A	97	Very high	97.1	Very high	3 Å²	3	58.2 Å²	58.2	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-55.7	-38.3	-178.7	0	0	0	0	0	112.2	V513 R518 A539 L540 D541 Y545 T546	V513-A543 HydrophobicContact CG2-CB 4.05Å; R518-A543 WeakPolarHBondContact CB-O 3.45Å; R518-A543 WeakPolarHBondContact CD-O 3.38Å; A539-A543 PolarHBondContact O-N 2.9Å; L540-A543 PolarHBondContact O-N 3.29Å; D541-A543 VanDerWaalsContact C-N 3.34Å; D541-A543 PolarHBondContact O-N 3.16Å; A543-Y545 VanDerWaalsContact C-N 3.25Å; A543-Y545 PolarHBondContact O-N 3.32Å; A543-T546 PolarHBondContact O-N 3.41Å; A543-T546 PolarHBondContact O-OG1 3.17Å; A543-T546 VanDerWaalsContact O-OG1 3.09Å
544	R	94.4	Very high	97.1	Very high	155 Å²	155	56.9 Å²	56.9	59%	0.585	30%	0.298	S	S	*	.	H	α-helix	trans	-57	-37.3	178.3	-68.6	169.1	176.3	175.3	-9.8	113	R518 L540 D541 I542	R518-R544 PolarHBondContact NH1-O 2.87Å; L540-R544 WeakPolarHBondContact O-CG 3.34Å; L540-R544 PolarHBondContact O-N 3.35Å; D541-R544 WeakPolarHBondContact O-CB 3.19Å; D541-R544 PolarHBondContact O-N 3.07Å; D541-R544 IonicContact OD1-CZ 3.7Å; D541-R544 IonicContact OD1-NH1 3.02Å; D541-R544 PolarHBondContact OD1-NH1 2.95Å; I542-R544 PolarHBondContact O-N 3.25Å
545	Y	94.2	Very high	97.1	Very high	209 Å²	209	50.2 Å²	50.2	82%	0.82	27%	0.272	S	S	*	.	H	α-helix	trans	-94.2	-5.5	-175.2	-64.6	-75.1	0	0	0	114.7	D541 I542 A543	D541-Y545 VanDerWaalsContact O-CD2 3.22Å; D541-Y545 WeakPolarHBondContact O-CD2 3.32Å; I542-Y545 PolarHBondContact O-N 3.46Å; A543-Y545 VanDerWaalsContact C-N 3.25Å; A543-Y545 PolarHBondContact O-N 3.32Å
546	T	97.3	Very high	97	Very high	43 Å²	43	52 Å²	52	26%	0.264	28%	0.282	S	S	.	.	S	Bend	trans	-84.4	154.2	176.9	61.5	0	0	0	0	112.8	R518 K519 I542 A543	R518-T546 WeakPolarHBondContact CB-OG1 3.42Å; R518-T546 WeakPolarHBondContact CD-O 3.36Å; R518-T546 WeakPolarHBondContact CG-O 3.36Å; R518-T546 VanDerWaalsContact CZ-O 3.24Å; R518-T546 PolarHBondContact NH1-O 2.92Å; K519-T546 PolarHBondContact N-OG1 3.33Å; K519-T546 WeakPolarHBondContact O-CG2 3.27Å; K519-T546 PolarHBondContact O-OG1 2.96Å; I542-T546 HydrophobicContact CG2-CG2 4.12Å; I542-T546 WeakPolarHBondContact O-CG2 3.49Å; I542-T546 PolarHBondContact O-N 3.47Å; A543-T546 PolarHBondContact O-N 3.41Å; A543-T546 PolarHBondContact O-OG1 3.17Å; A543-T546 VanDerWaalsContact O-OG1 3.09Å
547	S	96.2	Very high	97	Very high	103 Å²	103	57.2 Å²	57.2	72%	0.72	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-69.5	145	176.3	-62.3	0	0	0	0	111.7	D549	S547-D549 PolarHBondContact O-N 2.91Å
548	P	96	Very high	96.9	Very high	72 Å²	72	60.1 Å²	60.1	47%	0.468	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.6	129.8	171.6	-20.5	32.6	0	0	0	111.6	N517 R518	N517-P548 HydrophobicContact CB-CB 4.25Å; N517-P548 CarbonylContact O-C 3.55Å; N517-P548 WeakPolarHBondContact O-CA 3.43Å; R518-P548 HydrophobicContact CG-CB 4.48Å; R518-P548 HydrophobicContact CG-CG 4.18Å
549	D	96.9	Very high	96.9	Very high	35 Å²	35	60 Å²	60	19%	0.187	31%	0.311	C	S	.	.			trans	-129.3	106.7	171.1	-175.2	-4.3	0	0	0	109.5	N517 S547 C551 A552 Y775 K779	N517-D549 PolarHBondContact O-N 3.36Å; S547-D549 PolarHBondContact O-N 2.91Å; D549-C551 PolarHBondContact O-N 2.94Å; D549-C551 WeakPolarHBondContact OD1-CB 3.47Å; D549-C551 PolarHBondContact OD1-N 3.35Å; D549-C551 VanDerWaalsContact OD1-N 3.07Å; D549-A552 HydrophobicContact CB-CB 4.21Å; D549-A552 WeakPolarHBondContact O-CB 3.26Å; D549-A552 PolarHBondContact O-N 2.72Å; D549-Y775 WeakPolarHBondContact OD2-CE2 3.13Å; D549-Y775 VanDerWaalsContact OD2-CZ 3.27Å; D549-Y775 PolarHBondContact OD2-OH 3.12Å; D549-K779 IonicContact OD1-NZ 2.87Å; D549-K779 PolarHBondContact OD1-NZ 2.84Å; D549-K779 IonicContact OD2-NZ 2.84Å; D549-K779 PolarHBondContact OD2-NZ 3.18Å
550	P	94.8	Very high	96.9	Very high	103 Å²	103	60.1 Å²	60.1	67%	0.669	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.1	-179.6	-24.9	34.6	0	0	0	115.1
551	C	96.8	Very high	96.9	Very high	19 Å²	19	59.6 Å²	59.6	13%	0.128	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14	175.7	-60.8	0	0	0	0	113.2	D549 Y775 R778 K779	D549-C551 PolarHBondContact O-N 2.94Å; D549-C551 WeakPolarHBondContact OD1-CB 3.47Å; D549-C551 PolarHBondContact OD1-N 3.35Å; D549-C551 VanDerWaalsContact OD1-N 3.07Å; C551-Y775 HydrophobicContact CB-CD2 4.1Å; C551-Y775 HydrophobicContact CB-CE2 3.87Å; C551-Y775 WeakPolarHBondContact O-CD2 3.27Å; C551-R778 HydrophobicContact CB-CB 3.96Å; C551-R778 VanDerWaalsContact O-CD 3.26Å; C551-R778 WeakPolarHBondContact O-CD 3.47Å; C551-R778 PolarHBondContact O-NH1 2.85Å; C551-K779 HydrophobicContact CB-CD 4.13Å; C551-K779 HydrophobicContact CB-CG 4.17Å; C551-K779 VanDerWaalsContact SG-CD 3.6Å
552	A	95.3	Very high	96.8	Very high	12 Å²	12	60.1 Å²	60.1	10%	0.099	31%	0.309	C	S	.	.			trans	-82.1	128.4	179.1	0	0	0	0	0	111	Y514 K519 D549 Y775	Y514-A552 HydrophobicContact CD1-CB 4.19Å; Y514-A552 HydrophobicContact CE1-CB 4.09Å; K519-A552 HydrophobicContact CB-CB 4.43Å; D549-A552 HydrophobicContact CB-CB 4.21Å; D549-A552 WeakPolarHBondContact O-CB 3.26Å; D549-A552 PolarHBondContact O-N 2.72Å; A552-Y775 HydrophobicContact CB-CE2 4.45Å
553	G	96.2	Very high	96.6	Very high	17 Å²	17	62.7 Å²	62.7	18%	0.175	32%	0.323	C	S	.	.	S	Bend	trans	169.2	163.6	178	0	0	0	0	0	111.5	Y514 R778	Y514-G553 VanDerWaalsContact CE1-N 3.32Å; G553-R778 PolarHBondContact O-NH1 3.42Å
554	V	97.6	Very high	96.5	Very high	12 Å²	12	63.9 Å²	63.9	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	-55.9	147.4	173.6	-176.6	0	0	0	0	110.2	Y514 N617 R778	Y514-V554 HydrophobicContact CD2-CG2 3.79Å; Y514-V554 HydrophobicContact CE2-CG2 3.89Å; V554-N617 HydrophobicContact CG1-CB 3.85Å; V554-R778 PolarHBondContact O-NH2 3.26Å
555	A	97.8	Very high	96.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-54	147.2	176.1	0	0	0	0	0	112.9	K557 L560 H619 E752 V754 S774	A555-K557 PolarHBondContact O-N 3.49Å; A555-L560 HydrophobicContact CB-CD2 3.95Å; A555-H619 PolarHBondContact O-CD2 2.92Å; A555-E752 HydrophobicContact CB-CB 4.29Å; A555-V754 HydrophobicContact CB-CG2 3.61Å; A555-S774 WeakPolarHBondContact CA-OG 3.26Å; A555-S774 VanDerWaalsContact CB-OG 3.22Å; A555-S774 WeakPolarHBondContact CB-OG 3.26Å
556	D	97.8	Very high	96.5	Very high	49 Å²	49	55.8 Å²	55.8	26%	0.262	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.9	129.1	-176.1	-55.5	-21.6	0	0	0	110.1	E558 L559 R778	D556-E558 PolarHBondContact O-N 3.48Å; D556-E558 VanDerWaalsContact O-N 3.12Å; D556-L559 HydrophobicContact CB-CD1 4.28Å; D556-L559 HydrophobicContact CB-CG 4.36Å; D556-L559 WeakPolarHBondContact O-CB 3.44Å; D556-L559 PolarHBondContact O-N 2.9Å; D556-R778 IonicContact OD1-CZ 2.77Å; D556-R778 IonicContact OD1-NE 2.7Å; D556-R778 IonicContact OD1-NH2 3.73Å; D556-R778 PolarHBondContact OD1-NH2 3.46Å
557	K	98	Very high	96.5	Very high	111 Å²	111	54.1 Å²	54.1	48%	0.483	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55	-37.9	-168.2	-177.8	173	-179.7	174.4	0	113.2	A555 L559 L560 F562 H619	A555-K557 PolarHBondContact O-N 3.49Å; K557-L559 PolarHBondContact O-N 3.47Å; K557-L560 WeakPolarHBondContact O-CB 3.31Å; K557-L560 PolarHBondContact O-N 3.29Å; K557-F562 HydrophobicContact CG-CE2 4.04Å; K557-F562 HydrophobicContact CG-CZ 4.13Å; K557-H619 HydrophobicContact CB-CB 4.38Å; K557-H619 HydrophobicContact CD-CB 4.14Å; K557-H619 HydrophobicContact CG-CB 4.05Å
558	E	97.7	Very high	96.5	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.5	-179.5	65.2	-92.6	-149.6	0	0	114.3	D556	D556-E558 PolarHBondContact O-N 3.48Å; D556-E558 VanDerWaalsContact O-N 3.12Å
559	L	98.1	Very high	96.6	Very high	38 Å²	38	49.1 Å²	49.1	20%	0.199	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-91.9	-10.3	179.2	-57.5	-178.5	0	0	0	112.6	D556 K557 V754 R755	D556-L559 HydrophobicContact CB-CD1 4.28Å; D556-L559 HydrophobicContact CB-CG 4.36Å; D556-L559 WeakPolarHBondContact O-CB 3.44Å; D556-L559 PolarHBondContact O-N 2.9Å; K557-L559 PolarHBondContact O-N 3.47Å; L559-V754 HydrophobicContact CB-CG1 4.03Å; L559-V754 HydrophobicContact CB-CG2 4.39Å; L559-V754 WeakPolarHBondContact O-CA 3.35Å; L559-R755 PolarHBondContact O-N 3.26Å
560	L	98.6	Very high	96.5	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-72.7	145	-174.5	-64.9	177.4	0	0	0	112.9	A555 K557 F562 N617 H619 M621 G753 R755	A555-L560 HydrophobicContact CB-CD2 3.95Å; K557-L560 WeakPolarHBondContact O-CB 3.31Å; K557-L560 PolarHBondContact O-N 3.29Å; L560-F562 HydrophobicContact CB-CD2 4Å; L560-F562 HydrophobicContact CB-CE2 3.7Å; L560-F562 HydrophobicContact CB-CZ 4.39Å; L560-F562 HydrophobicContact CD1-CE2 4.06Å; L560-F562 HydrophobicContact CD1-CZ 4.02Å; L560-F562 HydrophobicContact CG-CE2 4.5Å; L560-F562 PolarHBondContact O-N 3.27Å; L560-F562 VanDerWaalsContact O-N 3.14Å; L560-N617 VanDerWaalsContact CD1-ND2 3.3Å; L560-N617 WeakPolarHBondContact CD1-ND2 3.46Å; L560-H619 HydrophobicContact CD1-CB 3.79Å; L560-M621 HydrophobicContact CB-SD 3.95Å; L560-M621 HydrophobicContact CD1-CB 4.36Å; L560-M621 HydrophobicContact CD1-SD 4.48Å; L560-M621 HydrophobicContact CD2-SD 4.01Å; L560-M621 HydrophobicContact CG-SD 4.37Å; L560-G753 WeakPolarHBondContact CA-O 3.47Å; L560-R755 PolarHBondContact O-NH2 2.49Å
561	A	97.4	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.			trans	-86.9	66.8	177.9	0	0	0	0	0	112.4	D563 M621 F749 G753 R755	A561-D563 PolarHBondContact O-N 2.88Å; A561-M621 HydrophobicContact CB-CE 4.13Å; A561-M621 WeakPolarHBondContact O-CE 3.5Å; A561-F749 HydrophobicContact CB-CB 3.7Å; A561-F749 HydrophobicContact CB-CD1 4.43Å; A561-F749 HydrophobicContact CB-CG 4.44Å; A561-G753 PolarHBondContact N-O 2.86Å; A561-R755 HydrophobicContact CB-CB 4.08Å; A561-R755 HydrophobicContact CB-CG 4.42Å
562	F	97.5	Very high	96.2	Very high	67 Å²	67	47.8 Å²	47.8	29%	0.294	25%	0.253	S	S	.	.	S	Bend	trans	-58.1	-31.5	176.8	-74.5	-83.4	0	0	0	113.5	K557 L560 H619 M621 Q623	K557-F562 HydrophobicContact CG-CE2 4.04Å; K557-F562 HydrophobicContact CG-CZ 4.13Å; L560-F562 HydrophobicContact CB-CD2 4Å; L560-F562 HydrophobicContact CB-CE2 3.7Å; L560-F562 HydrophobicContact CB-CZ 4.39Å; L560-F562 HydrophobicContact CD1-CE2 4.06Å; L560-F562 HydrophobicContact CD1-CZ 4.02Å; L560-F562 HydrophobicContact CG-CE2 4.5Å; L560-F562 PolarHBondContact O-N 3.27Å; L560-F562 VanDerWaalsContact O-N 3.14Å; F562-H619 HydrophobicContact CZ-CB 4.42Å; F562-M621 HydrophobicContact CD1-CB 4.26Å; F562-M621 HydrophobicContact CE1-CB 3.93Å; F562-M621 HydrophobicContact CZ-CB 4.38Å; F562-Q623 PolarHBondContact O-NE2 3.4Å
563	D	93.6	Very high	95.9	Very high	132 Å²	132	48.8 Å²	48.8	71%	0.706	26%	0.262	S	S	*	.	S	Bend	trans	-114.2	88.6	172.2	-54.3	-57	0	0	0	108.1	A561 R755	A561-D563 PolarHBondContact O-N 2.88Å; D563-R755 PolarHBondContact O-NH1 3.34Å; D563-R755 VanDerWaalsContact O-NH1 3.14Å
564	A	93.9	Very high	95.2	Very high	29 Å²	29	52.5 Å²	52.5	24%	0.24	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-80.8	128.9	179.4	0	0	0	0	0	110.3	Q623 P748 F749	A564-Q623 HydrophobicContact CB-CB 4.48Å; A564-Q623 HydrophobicContact CB-CG 4.18Å; A564-P748 HydrophobicContact CB-CB 4.03Å; A564-F749 HydrophobicContact CB-CD1 3.78Å; A564-F749 HydrophobicContact CB-CE1 3.97Å
565	P	94.3	Very high	94.6	Very high	50 Å²	50	53.2 Å²	53.2	33%	0.325	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70.3	148.6	179.8	28.2	-35.2	0	0	0	112.4	L567 P748	P565-L567 HydrophobicContact CB-CD2 4.02Å; P565-L567 HydrophobicContact CG-CD2 3.92Å; P565-L567 HydrophobicContact CG-CG 4.38Å; P565-P748 HydrophobicContact CG-CB 3.97Å
566	D	95.1	Very high	94.2	Very high	144 Å²	144	55.4 Å²	55.4	77%	0.77	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-78.5	122.9	163.5	-172.2	-3.5	0	0	0	109.2	D568	D566-D568 PolarHBondContact OD1-N 3.47Å
567	L	97.3	Very high	93.9	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.296	C	S	.	.			trans	-107.9	15.6	-174.8	-57.7	-178.7	0	0	0	112.4	P565 L569 H739 L741 K742 P748	P565-L567 HydrophobicContact CB-CD2 4.02Å; P565-L567 HydrophobicContact CG-CD2 3.92Å; P565-L567 HydrophobicContact CG-CG 4.38Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 HydrophobicContact CB-CD1 4.1Å; L567-L569 HydrophobicContact CB-CD2 4.02Å; L567-L569 HydrophobicContact CB-CG 3.8Å; L567-L569 WeakPolarHBondContact O-CD2 3.4Å; L567-L569 PolarHBondContact O-N 3.08Å; L567-H739 HydrophobicContact CD2-CB 3.68Å; L567-L741 WeakPolarHBondContact O-CA 3.35Å; L567-K742 PolarHBondContact O-N 3.32Å; L567-P748 HydrophobicContact CD1-CB 4.22Å
568	D	96.5	Very high	93.6	Very high	65 Å²	65	56 Å²	56	35%	0.348	31%	0.305	S	S	.	.			trans	55.1	43.7	177.9	-171.9	29.7	0	0	0	112.3	D566 H571 L741 K742	D566-D568 PolarHBondContact OD1-N 3.47Å; D568-H571 VanDerWaalsContact CG-NE2 3.33Å; D568-H571 PolarHBondContact O-CD2 2.62Å; D568-H571 PolarHBondContact O-NE2 2.7Å; D568-H571 IonicContact OD1-CE1 3.03Å; D568-H571 PolarHBondContact OD1-CE1 3.02Å; D568-H571 IonicContact OD1-NE2 3.1Å; D568-H571 PolarHBondContact OD1-NE2 2.86Å; D568-H571 IonicContact OD2-CE1 3.76Å; D568-H571 IonicContact OD2-NE2 2.59Å; D568-H571 PolarHBondContact OD2-NE2 3.5Å; D568-L741 HydrophobicContact CB-CB 4.38Å; D568-L741 HydrophobicContact CB-CD2 4.2Å; D568-K742 HydrophobicContact CB-CG 4.38Å; D568-K742 WeakPolarHBondContact O-CG 3.44Å; D568-K742 WeakPolarHBondContact OD2-CG 3.42Å
569	L	97.2	Very high	93.4	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	30%	0.296	C	S	.	.			trans	-90.4	-10.1	-172.9	-56.1	-179.7	0	0	0	113.6	L567 Y625 S627 T628	L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 HydrophobicContact CB-CD1 4.1Å; L567-L569 HydrophobicContact CB-CD2 4.02Å; L567-L569 HydrophobicContact CB-CG 3.8Å; L567-L569 WeakPolarHBondContact O-CD2 3.4Å; L567-L569 PolarHBondContact O-N 3.08Å; L569-Y625 HydrophobicContact CD1-CD2 4.26Å; L569-Y625 HydrophobicContact CD1-CE2 4.32Å; L569-S627 CarbonylContact O-C 3.56Å; L569-S627 VanDerWaalsContact O-CA 3.24Å; L569-S627 WeakPolarHBondContact O-CA 3.26Å; L569-T628 PolarHBondContact O-N 2.76Å; L569-T628 PolarHBondContact O-OG1 2.93Å
570	F	95.5	Very high	93.4	Very high	50 Å²	50	52.3 Å²	52.3	22%	0.219	29%	0.287	C	S	.	.			trans	-111.6	99.5	-167.5	-176	-118.8	0	0	0	112	I451 V454 P572 Y610 C626 T628	I451-F570 HydrophobicContact CG1-CE1 4.22Å; V454-F570 HydrophobicContact CB-CE1 4.36Å; V454-F570 HydrophobicContact CB-CE2 4.36Å; V454-F570 HydrophobicContact CB-CZ 3.66Å; V454-F570 HydrophobicContact CG1-CE1 4.25Å; V454-F570 HydrophobicContact CG1-CE2 3.86Å; V454-F570 HydrophobicContact CG1-CZ 3.55Å; V454-F570 HydrophobicContact CG2-CE2 4.27Å; V454-F570 HydrophobicContact CG2-CZ 3.77Å; F570-P572 HydrophobicContact CD1-CG 4.46Å; F570-P572 HydrophobicContact CE1-CG 3.82Å; F570-P572 HydrophobicContact CE2-CB 3.98Å; F570-P572 HydrophobicContact CE2-CG 3.99Å; F570-P572 HydrophobicContact CZ-CB 3.91Å; F570-P572 HydrophobicContact CZ-CG 3.53Å; F570-Y610 HydrophobicContact CE2-CG 4.4Å; F570-C626 HydrophobicContact CB-CB 3.91Å; F570-C626 HydrophobicContact CD1-CB 4.15Å; F570-C626 HydrophobicContact CD2-CB 3.55Å; F570-C626 HydrophobicContact CE2-CB 4.11Å; F570-C626 HydrophobicContact CG-CB 3.59Å; F570-T628 HydrophobicContact CD2-CG2 3.6Å; F570-T628 HydrophobicContact CE2-CG2 3.86Å
571	H	94.2	Very high	93.3	Very high	47 Å²	47	53.9 Å²	53.9	22%	0.218	30%	0.295	C	S	.	.			trans	-128.8	72.9	178.3	-61.5	-96.3	0	0	0	109.3	D568 T628 H630 R654 A655	D568-H571 VanDerWaalsContact CG-NE2 3.33Å; D568-H571 PolarHBondContact O-CD2 2.62Å; D568-H571 PolarHBondContact O-NE2 2.7Å; D568-H571 IonicContact OD1-CE1 3.03Å; D568-H571 PolarHBondContact OD1-CE1 3.02Å; D568-H571 IonicContact OD1-NE2 3.1Å; D568-H571 PolarHBondContact OD1-NE2 2.86Å; D568-H571 IonicContact OD2-CE1 3.76Å; D568-H571 IonicContact OD2-NE2 2.59Å; D568-H571 PolarHBondContact OD2-NE2 3.5Å; H571-T628 VanDerWaalsContact C-CG2 3.49Å; H571-T628 WeakPolarHBondContact CA-OG1 3.4Å; H571-T628 PolarHBondContact N-OG1 2.81Å; H571-T628 PolarHBondContact O-OG1 3.32Å; H571-H630 PolarHBondContact O-NE2 3.49Å; H571-R654 WeakPolarHBondContact CB-O 3.35Å; H571-A655 HydrophobicContact CB-CB 3.68Å
572	P	91.4	Very high	93.3	Very high	31 Å²	31	58.8 Å²	58.8	20%	0.201	32%	0.318	C	S	.	.			trans	-67.5	153.7	-177.5	30.9	-36.9	0	0	0	111.3	V450 I451 F570 T628	V450-P572 HydrophobicContact CG1-CB 3.82Å; V450-P572 HydrophobicContact CG1-CG 4.28Å; I451-P572 HydrophobicContact CG1-CG 3.96Å; F570-P572 HydrophobicContact CD1-CG 4.46Å; F570-P572 HydrophobicContact CE1-CG 3.82Å; F570-P572 HydrophobicContact CE2-CB 3.98Å; F570-P572 HydrophobicContact CE2-CG 3.99Å; F570-P572 HydrophobicContact CZ-CB 3.91Å; F570-P572 HydrophobicContact CZ-CG 3.53Å; P572-T628 HydrophobicContact CB-CG2 4.16Å
573	A	87.5	Confident	93.3	Very high	34 Å²	34	57.4 Å²	57.4	28%	0.281	31%	0.313	S	S	.	.			trans	-132	139.2	172.9	0	0	0	0	0	108.7	V575 M656	A573-V575 HydrophobicContact CB-CG2 3.97Å; A573-M656 HydrophobicContact CB-CG 3.51Å
574	E	82	Confident	93.6	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.444	28%	0.28	S	S	.	.			trans	-86.9	111.8	162.3	-106.2	178.6	-156.2	0	0	107	L446 V450	L446-E574 WeakPolarHBondContact CB-OE2 3.14Å; L446-E574 VanDerWaalsContact CD1-OE2 3.27Å; L446-E574 WeakPolarHBondContact CD1-OE2 3.47Å; L446-E574 WeakPolarHBondContact CD2-OE1 3.42Å; L446-E574 WeakPolarHBondContact CD2-OE2 3.14Å; L446-E574 VanDerWaalsContact CG-OE2 3.3Å; L446-E574 WeakPolarHBondContact CG-OE2 3.3Å; V450-E574 HydrophobicContact CG2-CG 3.65Å; V450-E574 WeakPolarHBondContact CG2-OE1 3.46Å
575	V	85.7	Confident	93.8	Very high	27 Å²	27	50.4 Å²	50.4	16%	0.164	27%	0.273	C	S	.	.			trans	-120	117.9	175.3	-173.1	0	0	0	0	106.3	A573 E579 A580 F606 M656	A573-V575 HydrophobicContact CB-CG2 3.97Å; V575-E579 HydrophobicContact CG1-CB 3.91Å; V575-A580 HydrophobicContact CG1-CB 3.92Å; V575-F606 HydrophobicContact CB-CE1 4.31Å; V575-F606 HydrophobicContact CG1-CE1 3.87Å; V575-F606 HydrophobicContact CG1-CZ 4.3Å; V575-F606 HydrophobicContact CG2-CE1 4.32Å; V575-F606 HydrophobicContact CG2-CZ 4.2Å; V575-M656 HydrophobicContact CG2-CE 4.18Å; V575-M656 HydrophobicContact CG2-SD 4.49Å
576	S	89.9	Confident	94	Very high	45 Å²	45	52.4 Å²	52.4	32%	0.315	28%	0.275	S	S	.	.			trans	-67	156.8	173.7	68.3	0	0	0	0	110.3	D578 E579 A580	S576-D578 PolarHBondContact O-N 2.85Å; S576-E579 VanDerWaalsContact CB-OE2 3.31Å; S576-E579 WeakPolarHBondContact CB-OE2 3.47Å; S576-E579 PolarHBondContact N-OE2 3.18Å; S576-E579 PolarHBondContact O-N 3.04Å; S576-E579 WeakPolarHBondContact OG-CB 3.4Å; S576-E579 VanDerWaalsContact OG-CD 3.23Å; S576-E579 WeakPolarHBondContact OG-CG 3.49Å; S576-E579 PolarHBondContact OG-N 3.4Å; S576-E579 PolarHBondContact OG-OE2 3.27Å; S576-A580 WeakPolarHBondContact O-CB 3.31Å; S576-A580 PolarHBondContact O-N 2.93Å
577	P	90.2	Very high	94.1	Very high	48 Å²	48	45.6 Å²	45.6	31%	0.312	24%	0.238	S	C	.	.	H	α-helix	trans	-56.8	-39	176.5	-27.9	38.7	0	0	0	112.7	I489 V501 F503 A580 I581	I489-P577 HydrophobicContact CD1-CB 4.19Å; I489-P577 HydrophobicContact CD1-CG 4.1Å; V501-P577 HydrophobicContact CG1-CB 4.43Å; F503-P577 HydrophobicContact CE1-CG 4.16Å; F503-P577 HydrophobicContact CZ-CB 4.49Å; F503-P577 HydrophobicContact CZ-CG 3.62Å; P577-A580 PolarHBondContact O-N 3.36Å; P577-I581 WeakPolarHBondContact O-CB 3.46Å; P577-I581 WeakPolarHBondContact O-CD1 3.25Å; P577-I581 WeakPolarHBondContact O-CG1 3.28Å; P577-I581 PolarHBondContact O-N 3.08Å
578	D	93	Very high	94.2	Very high	126 Å²	126	45.2 Å²	45.2	67%	0.674	24%	0.236	S	C	*	.	H	α-helix	trans	-67.4	-42.4	-179.4	-64.2	-27.6	0	0	0	111.7	S576 A580 I581 E582	S576-D578 PolarHBondContact O-N 2.85Å; D578-A580 PolarHBondContact O-N 2.82Å; D578-I581 PolarHBondContact O-N 2.96Å; D578-E582 WeakPolarHBondContact O-CB 3.49Å; D578-E582 PolarHBondContact O-N 3.06Å
579	E	93.6	Very high	94.3	Very high	94 Å²	94	44.8 Å²	44.8	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-41.1	173.5	-71.2	163.6	141.6	0	0	111.7	V575 S576 E582 L583	V575-E579 HydrophobicContact CG1-CB 3.91Å; S576-E579 VanDerWaalsContact CB-OE2 3.31Å; S576-E579 WeakPolarHBondContact CB-OE2 3.47Å; S576-E579 PolarHBondContact N-OE2 3.18Å; S576-E579 PolarHBondContact O-N 3.04Å; S576-E579 WeakPolarHBondContact OG-CB 3.4Å; S576-E579 VanDerWaalsContact OG-CD 3.23Å; S576-E579 WeakPolarHBondContact OG-CG 3.49Å; S576-E579 PolarHBondContact OG-N 3.4Å; S576-E579 PolarHBondContact OG-OE2 3.27Å; E579-E582 PolarHBondContact O-N 2.68Å; E579-L583 WeakPolarHBondContact O-CG 3.39Å; E579-L583 PolarHBondContact O-N 3.22Å
580	A	96.3	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-41	176.8	0	0	0	0	0	112.1	I489 V491 V575 S576 P577 D578 A584 F606	I489-A580 HydrophobicContact CD1-CB 4.26Å; V491-A580 HydrophobicContact CB-CB 4.34Å; V491-A580 HydrophobicContact CG2-CB 3.65Å; V575-A580 HydrophobicContact CG1-CB 3.92Å; S576-A580 WeakPolarHBondContact O-CB 3.31Å; S576-A580 PolarHBondContact O-N 2.93Å; P577-A580 PolarHBondContact O-N 3.36Å; D578-A580 PolarHBondContact O-N 2.82Å; A580-A584 PolarHBondContact O-N 2.94Å; A580-A584 VanDerWaalsContact O-N 3.14Å; A580-F606 HydrophobicContact CB-CD1 3.59Å; A580-F606 HydrophobicContact CB-CE1 4.03Å
581	I	97.2	Very high	94.5	Very high	34 Å²	34	43.4 Å²	43.4	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-46.1	173.1	-68.9	162	0	0	0	110	V491 T493 V498 V501 P577 D578 L583 A584 A585	V491-I581 HydrophobicContact CG1-CB 4.34Å; V491-I581 HydrophobicContact CG1-CG1 3.63Å; V491-I581 HydrophobicContact CG2-CG1 4.49Å; T493-I581 HydrophobicContact CG2-CG2 4.26Å; V498-I581 HydrophobicContact CB-CD1 4.11Å; V498-I581 HydrophobicContact CB-CG1 4.27Å; V498-I581 HydrophobicContact CB-CG2 4.34Å; V498-I581 HydrophobicContact CG2-CD1 3.87Å; V498-I581 HydrophobicContact CG2-CG1 3.95Å; V501-I581 HydrophobicContact CG2-CD1 4.13Å; V501-I581 HydrophobicContact CG2-CG1 4.34Å; P577-I581 WeakPolarHBondContact O-CB 3.46Å; P577-I581 WeakPolarHBondContact O-CD1 3.25Å; P577-I581 WeakPolarHBondContact O-CG1 3.28Å; P577-I581 PolarHBondContact O-N 3.08Å; D578-I581 PolarHBondContact O-N 2.96Å; I581-L583 PolarHBondContact O-N 2.83Å; I581-A584 PolarHBondContact O-N 2.98Å; I581-A585 WeakPolarHBondContact O-CB 3.44Å; I581-A585 PolarHBondContact O-N 2.93Å
582	E	97.7	Very high	94.7	Very high	104 Å²	104	42.5 Å²	42.5	49%	0.486	23%	0.227	S	C	.	.	H	α-helix	trans	-59.2	-46.5	179.4	-165.6	-159.7	137.6	0	0	111.6	D578 E579 A584 A585 R586	D578-E582 WeakPolarHBondContact O-CB 3.49Å; D578-E582 PolarHBondContact O-N 3.06Å; E579-E582 PolarHBondContact O-N 2.68Å; E582-A584 PolarHBondContact O-N 3.24Å; E582-A585 PolarHBondContact O-N 2.84Å; E582-R586 HydrophobicContact CG-CG 4.37Å; E582-R586 WeakPolarHBondContact O-CB 3.18Å; E582-R586 VanDerWaalsContact O-CG 3.24Å; E582-R586 WeakPolarHBondContact O-CG 3.45Å; E582-R586 PolarHBondContact O-N 2.98Å; E582-R586 WeakPolarHBondContact OE1-CD 3.45Å; E582-R586 IonicContact OE1-NH1 3.08Å; E582-R586 PolarHBondContact OE1-NH1 3.3Å; E582-R586 VanDerWaalsContact OE1-NH1 3.14Å
583	L	98	Very high	94.9	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-46.4	178.4	-71.3	171.3	0	0	0	111.9	E579 I581 A587 F606 L632 M656 P662	E579-L583 WeakPolarHBondContact O-CG 3.39Å; E579-L583 PolarHBondContact O-N 3.22Å; I581-L583 PolarHBondContact O-N 2.83Å; L583-A587 PolarHBondContact O-N 3.05Å; L583-F606 HydrophobicContact CB-CD2 4.23Å; L583-F606 HydrophobicContact CB-CG 4.4Å; L583-F606 HydrophobicContact CD1-CD2 3.92Å; L583-F606 HydrophobicContact CD1-CE2 3.72Å; L583-F606 HydrophobicContact CD1-CG 4.4Å; L583-F606 HydrophobicContact CD1-CZ 4.02Å; L583-L632 HydrophobicContact CB-CD1 4.42Å; L583-L632 WeakPolarHBondContact O-CD1 3.31Å; L583-M656 HydrophobicContact CD1-CE 3.97Å; L583-P662 HydrophobicContact CD2-CG 3.67Å
584	A	98.5	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-48	177.9	0	0	0	0	0	111.7	V491 T493 A580 I581 E582 R586 A587 E588 F606	V491-A584 HydrophobicContact CG1-CB 4.44Å; T493-A584 HydrophobicContact CG2-CB 3.72Å; A580-A584 PolarHBondContact O-N 2.94Å; A580-A584 VanDerWaalsContact O-N 3.14Å; I581-A584 PolarHBondContact O-N 2.98Å; E582-A584 PolarHBondContact O-N 3.24Å; A584-R586 PolarHBondContact O-N 2.77Å; A584-A587 PolarHBondContact O-N 2.7Å; A584-E588 PolarHBondContact O-N 3.17Å; A584-E588 VanDerWaalsContact O-N 3.11Å; A584-F606 HydrophobicContact CB-CB 4.11Å
585	A	98.5	Very high	96.1	Very high	13 Å²	13	46.7 Å²	46.7	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-40.5	-179.2	0	0	0	0	0	111.8	T493 I581 E582 E588 Q589	T493-A585 HydrophobicContact CG2-CB 4.18Å; I581-A585 WeakPolarHBondContact O-CB 3.44Å; I581-A585 PolarHBondContact O-N 2.93Å; E582-A585 PolarHBondContact O-N 2.84Å; A585-E588 PolarHBondContact O-N 3.46Å; A585-Q589 WeakPolarHBondContact O-CB 3.35Å; A585-Q589 WeakPolarHBondContact O-CG 3.47Å; A585-Q589 PolarHBondContact O-N 2.7Å
586	R	98.6	Very high	96.7	Very high	93 Å²	93	54.8 Å²	54.8	35%	0.351	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-41.4	177.7	-76.7	171.1	57.6	-174.3	-6.4	112.5	E582 A584 E588 Q589 A590 P662 E663	E582-R586 HydrophobicContact CG-CG 4.37Å; E582-R586 WeakPolarHBondContact O-CB 3.18Å; E582-R586 VanDerWaalsContact O-CG 3.24Å; E582-R586 WeakPolarHBondContact O-CG 3.45Å; E582-R586 PolarHBondContact O-N 2.98Å; E582-R586 WeakPolarHBondContact OE1-CD 3.45Å; E582-R586 IonicContact OE1-NH1 3.08Å; E582-R586 PolarHBondContact OE1-NH1 3.3Å; E582-R586 VanDerWaalsContact OE1-NH1 3.14Å; A584-R586 PolarHBondContact O-N 2.77Å; R586-E588 VanDerWaalsContact C-N 3.34Å; R586-Q589 PolarHBondContact O-N 2.65Å; R586-A590 VanDerWaalsContact O-CB 3.26Å; R586-A590 WeakPolarHBondContact O-CB 3.44Å; R586-A590 PolarHBondContact O-N 2.79Å; R586-P662 HydrophobicContact CB-CB 3.6Å; R586-P662 HydrophobicContact CB-CG 4.26Å; R586-E663 IonicContact CZ-OE1 3.85Å; R586-E663 VanDerWaalsContact CZ-OE1 3.23Å; R586-E663 IonicContact CZ-OE2 2.78Å; R586-E663 IonicContact NE-OE1 3.53Å; R586-E663 PolarHBondContact NE-OE1 2.75Å; R586-E663 IonicContact NH2-OE1 2.92Å; R586-E663 PolarHBondContact NH2-OE1 3.38Å; R586-E663 IonicContact NH2-OE2 3.07Å; R586-E663 PolarHBondContact NH2-OE2 2.7Å
587	A	98.4	Very high	97.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-38.8	176.6	0	0	0	0	0	112.1	L583 A584 A591 L632 S634 P662 V665 G666	L583-A587 PolarHBondContact O-N 3.05Å; A584-A587 PolarHBondContact O-N 2.7Å; A587-A591 PolarHBondContact O-N 3.07Å; A587-L632 HydrophobicContact CB-CD1 4.09Å; A587-L632 HydrophobicContact CB-CD2 4.25Å; A587-L632 HydrophobicContact CB-CG 4.15Å; A587-S634 PolarHBondContact O-OG 2.65Å; A587-P662 VanDerWaalsContact CA-O 3.29Å; A587-P662 WeakPolarHBondContact CA-O 3.37Å; A587-P662 HydrophobicContact CB-CB 4.05Å; A587-V665 HydrophobicContact CB-CB 4.21Å; A587-V665 HydrophobicContact CB-CG1 4.21Å; A587-G666 WeakPolarHBondContact O-CA 3.39Å
588	E	98.6	Very high	97.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-50.2	174.2	-171.4	-176.9	-158.3	0	0	112.2	T493 R494 Y495 G496 A584 A585 R586 A590 A591 L592 T601 G603 S634	T493-E588 PolarHBondContact OG1-OE2 2.84Å; R494-E588 WeakPolarHBondContact CA-OE1 3.49Å; Y495-E588 PolarHBondContact N-OE1 2.93Å; Y495-E588 PolarHBondContact N-OE2 3.36Å; G496-E588 PolarHBondContact N-OE2 2.95Å; A584-E588 PolarHBondContact O-N 3.17Å; A584-E588 VanDerWaalsContact O-N 3.11Å; A585-E588 PolarHBondContact O-N 3.46Å; R586-E588 VanDerWaalsContact C-N 3.34Å; E588-A590 PolarHBondContact O-N 3.05Å; E588-A591 WeakPolarHBondContact O-CB 3.45Å; E588-A591 PolarHBondContact O-N 3.41Å; E588-A591 VanDerWaalsContact O-N 3.11Å; E588-L592 HydrophobicContact CG-CD1 4.02Å; E588-L592 PolarHBondContact O-N 3.08Å; E588-T601 WeakPolarHBondContact CG-OG1 3.14Å; E588-T601 WeakPolarHBondContact OE1-CB 3.49Å; E588-T601 WeakPolarHBondContact OE1-CG2 3.36Å; E588-T601 PolarHBondContact OE1-OG1 2.65Å; E588-G603 WeakPolarHBondContact OE1-CA 3.45Å; E588-S634 WeakPolarHBondContact CA-OG 3.45Å
589	Q	98.4	Very high	97.6	Very high	56 Å²	56	51.7 Å²	51.7	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-39.8	-177	-73.1	-63.7	-32.5	0	0	112	Y495 A585 R586 A591 L592 Q593	Y495-Q589 PolarHBondContact O-NE2 3.45Å; Y495-Q589 VanDerWaalsContact O-NE2 3.15Å; A585-Q589 WeakPolarHBondContact O-CB 3.35Å; A585-Q589 WeakPolarHBondContact O-CG 3.47Å; A585-Q589 PolarHBondContact O-N 2.7Å; R586-Q589 PolarHBondContact O-N 2.65Å; Q589-A591 PolarHBondContact O-N 3.05Å; Q589-L592 PolarHBondContact O-N 3.32Å; Q589-Q593 WeakPolarHBondContact O-CB 3.49Å; Q589-Q593 VanDerWaalsContact O-CG 3.24Å; Q589-Q593 WeakPolarHBondContact O-CG 3.47Å; Q589-Q593 PolarHBondContact O-N 3.3Å
590	A	98.1	Very high	97.7	Very high	26 Å²	26	49.8 Å²	49.8	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-36.3	174.5	0	0	0	0	0	112	R586 E588	R586-A590 VanDerWaalsContact O-CB 3.26Å; R586-A590 WeakPolarHBondContact O-CB 3.44Å; R586-A590 PolarHBondContact O-N 2.79Å; E588-A590 PolarHBondContact O-N 3.05Å
591	A	98.3	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.6	-49.2	174	0	0	0	0	0	112.1	A587 E588 Q589 Q593 A594 I598 V636 G666 C669 A670	A587-A591 PolarHBondContact O-N 3.07Å; E588-A591 WeakPolarHBondContact O-CB 3.45Å; E588-A591 PolarHBondContact O-N 3.41Å; E588-A591 VanDerWaalsContact O-N 3.11Å; Q589-A591 PolarHBondContact O-N 3.05Å; A591-Q593 VanDerWaalsContact C-N 3.27Å; A591-Q593 PolarHBondContact O-N 3.39Å; A591-A594 WeakPolarHBondContact O-CB 3Å; A591-A594 PolarHBondContact O-N 2.8Å; A591-I598 WeakPolarHBondContact O-CD1 3.38Å; A591-V636 HydrophobicContact CB-CG1 3.54Å; A591-V636 HydrophobicContact CB-CG2 4.24Å; A591-G666 WeakPolarHBondContact CA-O 3.45Å; A591-G666 WeakPolarHBondContact CB-O 3.25Å; A591-C669 HydrophobicContact CB-CB 4.28Å; A591-A670 HydrophobicContact CB-CB 4.43Å
592	L	98.2	Very high	97.8	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-36.4	-179.9	-78.8	170.6	0	0	0	113.2	Y495 E588 Q589 A594 I598 T601	Y495-L592 HydrophobicContact CD1-CD1 3.87Å; Y495-L592 HydrophobicContact CD1-CD2 4.47Å; Y495-L592 HydrophobicContact CE1-CD1 4.45Å; Y495-L592 HydrophobicContact CE1-CD2 4.24Å; E588-L592 HydrophobicContact CG-CD1 4.02Å; E588-L592 PolarHBondContact O-N 3.08Å; Q589-L592 PolarHBondContact O-N 3.32Å; L592-A594 VanDerWaalsContact C-N 3.35Å; L592-I598 HydrophobicContact CD2-CG2 4.12Å; L592-T601 HydrophobicContact CD1-CG2 4.31Å; L592-T601 HydrophobicContact CD2-CG2 4.4Å
593	Q	97.5	Very high	97.8	Very high	150 Å²	150	48 Å²	48	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.9	-176.1	-66.6	174.5	3.6	0	0	113.6	Q589 A591	Q589-Q593 WeakPolarHBondContact O-CB 3.49Å; Q589-Q593 VanDerWaalsContact O-CG 3.24Å; Q589-Q593 WeakPolarHBondContact O-CG 3.47Å; Q589-Q593 PolarHBondContact O-N 3.3Å; A591-Q593 VanDerWaalsContact C-N 3.27Å; A591-Q593 PolarHBondContact O-N 3.39Å
594	A	96.7	Very high	97.9	Very high	58 Å²	58	46.2 Å²	46.2	48%	0.479	23%	0.233	S	C	.	.	S	Bend	trans	-71.4	-36.7	-172.9	0	0	0	0	0	113.9	A591 L592 I598 A670	A591-A594 WeakPolarHBondContact O-CB 3Å; A591-A594 PolarHBondContact O-N 2.8Å; L592-A594 VanDerWaalsContact C-N 3.35Å; A594-I598 HydrophobicContact CB-CD1 4.33Å; A594-A670 HydrophobicContact CB-CB 3.45Å; A594-A670 VanDerWaalsContact CB-CB 3.45Å
595	D	97.9	Very high	97.9	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.214	24%	0.243	C	C	.	.			trans	-153.8	138.4	179.5	-170.5	-55.3	0	0	0	110.5	R597 I598 L674	D595-R597 PolarHBondContact O-N 3.45Å; D595-R597 WeakPolarHBondContact OD1-CB 3.36Å; D595-R597 WeakPolarHBondContact OD1-CG 3.39Å; D595-R597 PolarHBondContact OD1-N 3.11Å; D595-R597 IonicContact OD1-NE 3.76Å; D595-R597 PolarHBondContact OD1-NE 2.96Å; D595-R597 VanDerWaalsContact OD1-NE 3.13Å; D595-R597 IonicContact OD1-NH2 2.83Å; D595-R597 IonicContact OD2-CZ 3.36Å; D595-R597 IonicContact OD2-NE 3.04Å; D595-R597 PolarHBondContact OD2-NE 3.49Å; D595-R597 IonicContact OD2-NH2 3.68Å; D595-R597 PolarHBondContact OD2-NH2 3.14Å; D595-I598 HydrophobicContact CB-CD1 4.49Å; D595-I598 WeakPolarHBondContact O-CB 3.43Å; D595-I598 PolarHBondContact O-N 3.4Å; D595-L674 HydrophobicContact CB-CD1 3.53Å; D595-L674 HydrophobicContact CB-CD2 3.92Å; D595-L674 HydrophobicContact CB-CG 4.34Å
596	K	97	Very high	97.9	Very high	196 Å²	196	47 Å²	47	85%	0.852	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.8	179.3	67.8	178.9	-178.3	179	0	114.7	I598	K596-I598 VanDerWaalsContact C-N 3.3Å
597	R	97.8	Very high	97.8	Very high	79 Å²	79	44.3 Å²	44.3	30%	0.298	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.7	176.2	-69.4	173.5	-68.6	169.3	7.3	112.3	D595 T599 A638 E639 E640 L674 L677	D595-R597 PolarHBondContact O-N 3.45Å; D595-R597 WeakPolarHBondContact OD1-CB 3.36Å; D595-R597 WeakPolarHBondContact OD1-CG 3.39Å; D595-R597 PolarHBondContact OD1-N 3.11Å; D595-R597 IonicContact OD1-NE 3.76Å; D595-R597 PolarHBondContact OD1-NE 2.96Å; D595-R597 VanDerWaalsContact OD1-NE 3.13Å; D595-R597 IonicContact OD1-NH2 2.83Å; D595-R597 IonicContact OD2-CZ 3.36Å; D595-R597 IonicContact OD2-NE 3.04Å; D595-R597 PolarHBondContact OD2-NE 3.49Å; D595-R597 IonicContact OD2-NH2 3.68Å; D595-R597 PolarHBondContact OD2-NH2 3.14Å; R597-T599 PolarHBondContact O-N 2.99Å; R597-T599 VanDerWaalsContact O-N 3.13Å; R597-A638 CarbonylContact O-C 3.4Å; R597-A638 WeakPolarHBondContact O-CA 3.44Å; R597-E639 PolarHBondContact O-N 2.92Å; R597-E640 WeakPolarHBondContact CD-OE1 3.5Å; R597-E640 IonicContact CZ-OE1 3.94Å; R597-E640 IonicContact NH1-OE1 3.24Å; R597-E640 PolarHBondContact NH1-OE1 2.93Å; R597-L674 HydrophobicContact CB-CD2 4.18Å; R597-L677 HydrophobicContact CB-CD1 4.24Å
598	I	98.2	Very high	97.8	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	97.9	169	-60.5	172.1	0	0	0	107	A591 L592 A594 D595 K596 V636 A638 A670 L674	A591-I598 WeakPolarHBondContact O-CD1 3.38Å; L592-I598 HydrophobicContact CD2-CG2 4.12Å; A594-I598 HydrophobicContact CB-CD1 4.33Å; D595-I598 HydrophobicContact CB-CD1 4.49Å; D595-I598 WeakPolarHBondContact O-CB 3.43Å; D595-I598 PolarHBondContact O-N 3.4Å; K596-I598 VanDerWaalsContact C-N 3.3Å; I598-V636 HydrophobicContact CD1-CG2 4.2Å; I598-V636 HydrophobicContact CG1-CG2 4.46Å; I598-V636 HydrophobicContact CG2-CB 3.71Å; I598-V636 HydrophobicContact CG2-CG1 4.31Å; I598-V636 HydrophobicContact CG2-CG2 3.74Å; I598-A638 HydrophobicContact CG1-CB 4.15Å; I598-A670 HydrophobicContact CD1-CB 3.52Å; I598-L674 HydrophobicContact CD1-CD1 4.14Å; I598-L674 HydrophobicContact CD1-CD2 4.47Å; I598-L674 HydrophobicContact CD1-CG 4.16Å; I598-L674 HydrophobicContact CG1-CD2 4.02Å; I598-L674 HydrophobicContact CG1-CG 4.2Å
599	T	95.4	Very high	97.6	Very high	65 Å²	65	46.5 Å²	46.5	40%	0.399	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-19.3	-170.9	53.3	0	0	0	0	113	R597 I637 E639	R597-T599 PolarHBondContact O-N 2.99Å; R597-T599 VanDerWaalsContact O-N 3.13Å; T599-I637 PolarHBondContact N-O 3.37Å; T599-E639 HydrophobicContact CG2-CB 4.2Å
600	N	97.3	Very high	97.5	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	169.4	-174.9	-158.2	-9.4	0	0	0	111.6	Y495 I637	Y495-N600 PolarHBondContact OH-OD1 3.22Å; N600-I637 HydrophobicContact CB-CB 4.12Å; N600-I637 HydrophobicContact CB-CD1 4.29Å; N600-I637 PolarHBondContact N-O 3.02Å; N600-I637 PolarHBondContact O-N 2.93Å
601	T	98.1	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.9	-174.2	-178.1	0	0	0	0	110.9	R494 Y495 E588 L592 G603 C635	R494-T601 HydrophobicContact CG-CG2 4.24Å; R494-T601 PolarHBondContact NH2-O 3.13Å; Y495-T601 HydrophobicContact CD1-CG2 3.74Å; Y495-T601 HydrophobicContact CD2-CG2 3.85Å; Y495-T601 HydrophobicContact CE1-CG2 3.75Å; Y495-T601 HydrophobicContact CE2-CG2 3.85Å; Y495-T601 HydrophobicContact CG-CG2 3.81Å; E588-T601 WeakPolarHBondContact CG-OG1 3.14Å; E588-T601 WeakPolarHBondContact OE1-CB 3.49Å; E588-T601 WeakPolarHBondContact OE1-CG2 3.36Å; E588-T601 PolarHBondContact OE1-OG1 2.65Å; L592-T601 HydrophobicContact CD1-CG2 4.31Å; L592-T601 HydrophobicContact CD2-CG2 4.4Å; T601-G603 WeakPolarHBondContact OG1-CA 3.23Å; T601-G603 PolarHBondContact OG1-N 3.42Å; T601-C635 PolarHBondContact OG1-O 3.37Å
602	E	97.3	Very high	97.2	Very high	91 Å²	91	44.9 Å²	44.9	43%	0.425	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-0.1	165.4	-64.4	-74.7	-166.7	0	0	111.4	C635 I637	E602-C635 HydrophobicContact CB-CB 3.98Å; E602-C635 PolarHBondContact N-O 2.75Å; E602-I637 HydrophobicContact CG-CD1 4.16Å; E602-I637 HydrophobicContact CG-CG1 4.36Å
603	G	98	Very high	97.1	Very high	8 Å²	8	48.2 Å²	48.2	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.6	166.6	168.8	0	0	0	0	0	115.5	T493 E588 T601 S634 C635	T493-G603 CarbonylContact O-C 3.49Å; T493-G603 WeakPolarHBondContact O-CA 3.4Å; E588-G603 WeakPolarHBondContact OE1-CA 3.45Å; T601-G603 WeakPolarHBondContact OG1-CA 3.23Å; T601-G603 PolarHBondContact OG1-N 3.42Å; G603-S634 WeakPolarHBondContact O-CA 3.43Å; G603-C635 PolarHBondContact N-O 3.38Å; G603-C635 PolarHBondContact O-N 3.19Å
604	G	98.4	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.9	161.5	0	0	0	0	0	110.5	S492 T493 S633	S492-G604 CarbonylContact C-O 3.58Å; S492-G604 WeakPolarHBondContact CA-O 3.36Å; T493-G604 PolarHBondContact N-O 3.37Å; T493-G604 PolarHBondContact O-N 2.96Å; T493-G604 WeakPolarHBondContact OG1-CA 3.16Å; T493-G604 PolarHBondContact OG1-N 3.18Å; T493-G604 PolarHBondContact OG1-O 3.06Å; G604-S633 CarbonylContact C-O 3.54Å; G604-S633 WeakPolarHBondContact CA-O 3.13Å
605	S	98.6	Very high	97.2	Very high	29 Å²	29	39 Å²	39	20%	0.203	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.3	175.4	179.1	0	0	0	0	112.8	V491 N607 L632 S633	V491-S605 VanDerWaalsContact O-CA 3.22Å; V491-S605 WeakPolarHBondContact O-CA 3.48Å; V491-S605 WeakPolarHBondContact O-CB 3.38Å; V491-S605 PolarHBondContact O-OG 3.09Å; S605-N607 PolarHBondContact OG-ND2 3.07Å; S605-L632 CarbonylContact O-C 3.48Å; S605-L632 WeakPolarHBondContact O-CA 3.48Å; S605-S633 PolarHBondContact N-O 3.46Å; S605-S633 PolarHBondContact O-N 2.96Å; S605-S633 PolarHBondContact O-OG 2.7Å
606	F	98.6	Very high	97.2	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.7	171.8	176.7	-97.7	0	0	0	110.1	V491 V575 A580 L583 A584 S631 L632 M656 L659	V491-F606 PolarHBondContact N-O 3.3Å; V491-F606 PolarHBondContact O-N 2.83Å; V575-F606 HydrophobicContact CB-CE1 4.31Å; V575-F606 HydrophobicContact CG1-CE1 3.87Å; V575-F606 HydrophobicContact CG1-CZ 4.3Å; V575-F606 HydrophobicContact CG2-CE1 4.32Å; V575-F606 HydrophobicContact CG2-CZ 4.2Å; A580-F606 HydrophobicContact CB-CD1 3.59Å; A580-F606 HydrophobicContact CB-CE1 4.03Å; L583-F606 HydrophobicContact CB-CD2 4.23Å; L583-F606 HydrophobicContact CB-CG 4.4Å; L583-F606 HydrophobicContact CD1-CD2 3.92Å; L583-F606 HydrophobicContact CD1-CE2 3.72Å; L583-F606 HydrophobicContact CD1-CG 4.4Å; L583-F606 HydrophobicContact CD1-CZ 4.02Å; A584-F606 HydrophobicContact CB-CB 4.11Å; F606-S631 WeakPolarHBondContact CA-O 3.08Å; F606-L632 HydrophobicContact CB-CD1 4.09Å; F606-L632 HydrophobicContact CD2-CB 4.44Å; F606-L632 HydrophobicContact CD2-CD1 4.29Å; F606-M656 HydrophobicContact CE2-CE 3.78Å; F606-M656 HydrophobicContact CE2-SD 3.92Å; F606-M656 HydrophobicContact CZ-CE 3.65Å; F606-M656 HydrophobicContact CZ-SD 3.71Å; F606-L659 HydrophobicContact CE2-CD1 4.25Å
607	N	98	Very high	97.3	Very high	36 Å²	36	27.9 Å²	27.9	19%	0.193	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.5	178	-60	-88.6	0	0	0	109.6	I489 S490 S605 H630 S631	I489-N607 WeakPolarHBondContact O-CA 3.4Å; S490-N607 VanDerWaalsContact CB-OD1 3.31Å; S490-N607 WeakPolarHBondContact CB-OD1 3.24Å; S490-N607 PolarHBondContact OG-OD1 2.97Å; S605-N607 PolarHBondContact OG-ND2 3.07Å; N607-H630 CarbonylContact O-C 3.57Å; N607-H630 VanDerWaalsContact O-CA 3.22Å; N607-H630 WeakPolarHBondContact O-CA 3.29Å; N607-S631 PolarHBondContact N-O 2.58Å; N607-S631 PolarHBondContact O-N 2.83Å
608	S	97.2	Very high	97.3	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.063	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	111.1	175.7	-178.3	0	0	0	0	109.8	G488 I489 H630	G488-S608 CarbonylContact C-O 3.32Å; G488-S608 WeakPolarHBondContact CA-O 3.42Å; I489-S608 PolarHBondContact N-O 3.02Å; I489-S608 PolarHBondContact O-N 3.3Å; S608-H630 WeakPolarHBondContact CB-ND1 3.37Å; S608-H630 PolarHBondContact OG-CE1 2.82Å; S608-H630 PolarHBondContact OG-ND1 2.84Å
609	H	95.6	Very high	97.3	Very high	37 Å²	37	29.7 Å²	29.7	17%	0.171	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.8	-173.9	-64.6	75.3	0	0	0	111.6	T486 T487 I489 S490 T628 R629	T486-H609 HydrophobicContact CG2-CB 4.24Å; T487-H609 WeakPolarHBondContact O-CA 3.47Å; I489-H609 PolarHBondContact O-CE1 3.09Å; S490-H609 PolarHBondContact OG-CE1 3.39Å; H609-T628 CarbonylContact O-C 3.51Å; H609-T628 VanDerWaalsContact O-CA 3.25Å; H609-T628 WeakPolarHBondContact O-CA 3.31Å; H609-R629 PolarHBondContact N-O 3.08Å; H609-R629 PolarHBondContact O-N 3.15Å
610	Y	95	Very high	97.3	Very high	40 Å²	40	29.4 Å²	29.4	16%	0.157	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.5	160.7	70.2	-95.5	0	0	0	110.8	V454 T486 T487 F570 S627	V454-Y610 HydrophobicContact CG1-CD2 4.28Å; V454-Y610 HydrophobicContact CG1-CE2 4.37Å; V454-Y610 HydrophobicContact CG2-CD2 3.78Å; V454-Y610 HydrophobicContact CG2-CE1 4.25Å; V454-Y610 HydrophobicContact CG2-CE2 3.45Å; V454-Y610 VanDerWaalsContact CG2-CE2 3.45Å; V454-Y610 HydrophobicContact CG2-CG 4.31Å; T486-Y610 CarbonylContact C-O 3.58Å; T486-Y610 WeakPolarHBondContact CA-O 2.92Å; T487-Y610 VanDerWaalsContact CB-CZ 3.46Å; T487-Y610 HydrophobicContact CG2-CE1 3.93Å; T487-Y610 WeakPolarHBondContact CG2-OH 3.42Å; T487-Y610 PolarHBondContact N-O 3.03Å; T487-Y610 WeakPolarHBondContact O-CD1 3.33Å; T487-Y610 PolarHBondContact O-N 3.11Å; T487-Y610 VanDerWaalsContact O-O 3.09Å; F570-Y610 HydrophobicContact CE2-CG 4.4Å; Y610-S627 CarbonylContact C-O 3.59Å; Y610-S627 VanDerWaalsContact CA-O 3.28Å; Y610-S627 WeakPolarHBondContact CA-O 3.45Å
611	G	94.2	Very high	97.4	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.3	178.4	0	0	0	0	0	111.2	K485 C626 S627	K485-G611 CarbonylContact O-C 3.49Å; K485-G611 VanDerWaalsContact O-CA 3.23Å; K485-G611 WeakPolarHBondContact O-CA 3.4Å; G611-C626 CarbonylContact O-C 3.52Å; G611-C626 WeakPolarHBondContact O-CA 3.29Å; G611-S627 PolarHBondContact N-O 2.85Å; G611-S627 PolarHBondContact O-N 3.02Å
612	V	96	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.4	171.6	-172.1	0	0	0	0	107.9	V454 R458 L461 S484 K485 V614	V454-V612 HydrophobicContact CG1-CG2 3.75Å; R458-V612 HydrophobicContact CB-CG1 3.78Å; R458-V612 HydrophobicContact CG-CG1 4Å; L461-V612 HydrophobicContact CD1-CB 3.93Å; L461-V612 HydrophobicContact CD1-CG1 3.84Å; S484-V612 WeakPolarHBondContact CA-O 3.47Å; K485-V612 PolarHBondContact N-O 3.31Å; K485-V612 PolarHBondContact O-N 3.47Å; V612-V614 HydrophobicContact CG1-CG2 4.37Å
613	K	96	Very high	97.4	Very high	98 Å²	98	27.9 Å²	27.9	43%	0.426	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.8	175	-71.3	179.2	176.5	-176.4	0	109.2	G624 Y625	K613-G624 CarbonylContact O-C 3.6Å; K613-G624 WeakPolarHBondContact O-CA 3.18Å; K613-Y625 HydrophobicContact CB-CE1 4.19Å; K613-Y625 HydrophobicContact CD-CE1 4.36Å; K613-Y625 HydrophobicContact CD-CE2 4.06Å; K613-Y625 VanDerWaalsContact CD-OH 3.28Å; K613-Y625 WeakPolarHBondContact CD-OH 3.34Å; K613-Y625 PolarHBondContact N-O 3.24Å; K613-Y625 PolarHBondContact O-N 2.85Å
614	V	98.3	Very high	97.3	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.8	174.4	-173.2	0	0	0	0	108.7	L461 E462 V465 A482 V483 V612 L622 Q623	L461-V614 HydrophobicContact CB-CB 4.42Å; L461-V614 HydrophobicContact CB-CG2 3.68Å; E462-V614 HydrophobicContact CB-CG1 4.4Å; E462-V614 HydrophobicContact CG-CG1 3.72Å; E462-V614 HydrophobicContact CG-CG2 4.03Å; V465-V614 HydrophobicContact CB-CG1 4.19Å; V465-V614 HydrophobicContact CG2-CB 4.13Å; V465-V614 HydrophobicContact CG2-CG1 3.74Å; A482-V614 WeakPolarHBondContact CA-O 3.25Å; V483-V614 PolarHBondContact N-O 3.35Å; V483-V614 PolarHBondContact O-N 3.42Å; V612-V614 HydrophobicContact CG1-CG2 4.37Å; V614-L622 HydrophobicContact CG1-CD1 3.92Å; V614-Q623 CarbonylContact C-O 3.57Å; V614-Q623 WeakPolarHBondContact CA-O 3.43Å
615	F	98.6	Very high	97.1	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141	175.9	178.6	-91.8	0	0	0	109.5	E480 V481 A482 N617 M621 L622 Q623 F749 E752	E480-F615 HydrophobicContact CB-CE2 4.31Å; E480-F615 HydrophobicContact CB-CZ 4.13Å; V481-F615 WeakPolarHBondContact O-CA 3.32Å; A482-F615 HydrophobicContact CB-CD2 4.11Å; F615-N617 HydrophobicContact CE1-CB 4.21Å; F615-N617 HydrophobicContact CZ-CB 4.35Å; F615-M621 HydrophobicContact CD1-CE 4.16Å; F615-M621 HydrophobicContact CD1-SD 4.14Å; F615-M621 HydrophobicContact CE1-SD 4.17Å; F615-L622 WeakPolarHBondContact O-CA 3.49Å; F615-Q623 PolarHBondContact N-O 3.21Å; F615-Q623 PolarHBondContact O-N 2.91Å; F615-F749 HydrophobicContact CB-CE2 3.71Å; F615-F749 HydrophobicContact CB-CZ 4.27Å; F615-F749 HydrophobicContact CG-CE2 4.4Å; F615-E752 WeakPolarHBondContact CE1-O 3.11Å; F615-E752 WeakPolarHBondContact CZ-O 3.38Å
616	G	98.6	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.2	169.7	0	0	0	0	0	112.9	E480 V481 M621	E480-G616 CarbonylContact C-O 3.45Å; E480-G616 WeakPolarHBondContact CA-O 3.34Å; V481-G616 PolarHBondContact N-O 2.88Å; V481-G616 PolarHBondContact O-N 2.88Å; G616-M621 CarbonylContact C-O 3.55Å; G616-M621 WeakPolarHBondContact CA-O 3.41Å
617	N	98.5	Very high	96.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	170.6	-179.9	68.7	29.4	0	0	0	113.1	A479 E480 V554 L560 F615 H619 G620 M621	A479-N617 CarbonylContact O-C 3.59Å; A479-N617 VanDerWaalsContact O-CA 3.24Å; A479-N617 WeakPolarHBondContact O-CA 3.5Å; A479-N617 WeakPolarHBondContact O-CB 3.22Å; E480-N617 HydrophobicContact CB-CB 4.07Å; V554-N617 HydrophobicContact CG1-CB 3.85Å; L560-N617 VanDerWaalsContact CD1-ND2 3.3Å; L560-N617 WeakPolarHBondContact CD1-ND2 3.46Å; F615-N617 HydrophobicContact CE1-CB 4.21Å; F615-N617 HydrophobicContact CZ-CB 4.35Å; N617-H619 PolarHBondContact O-N 3.23Å; N617-H619 VanDerWaalsContact O-N 3.09Å; N617-H619 WeakPolarHBondContact OD1-CB 3.39Å; N617-H619 PolarHBondContact OD1-N 2.89Å; N617-G620 PolarHBondContact O-N 2.83Å; N617-M621 PolarHBondContact N-O 3.36Å; N617-M621 PolarHBondContact OD1-N 2.87Å
618	S	97.9	Very high	96.9	Very high	58 Å²	58	28.2 Å²	28.2	41%	0.406	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.7	-177.7	57	0	0	0	0	114.8	G478 A479	G478-S618 VanDerWaalsContact CA-OG 3.28Å; G478-S618 WeakPolarHBondContact CA-OG 3.35Å; A479-S618 PolarHBondContact N-OG 3.14Å; A479-S618 PolarHBondContact O-N 3.35Å; A479-S618 PolarHBondContact O-OG 3.25Å
619	H	97.7	Very high	96.8	Very high	69 Å²	69	32.3 Å²	32.3	32%	0.319	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.6	170.5	-70.5	-41.5	0	0	0	113.4	A555 K557 L560 F562 N617	A555-H619 PolarHBondContact O-CD2 2.92Å; K557-H619 HydrophobicContact CB-CB 4.38Å; K557-H619 HydrophobicContact CD-CB 4.14Å; K557-H619 HydrophobicContact CG-CB 4.05Å; L560-H619 HydrophobicContact CD1-CB 3.79Å; F562-H619 HydrophobicContact CZ-CB 4.42Å; N617-H619 PolarHBondContact O-N 3.23Å; N617-H619 VanDerWaalsContact O-N 3.09Å; N617-H619 WeakPolarHBondContact OD1-CB 3.39Å; N617-H619 PolarHBondContact OD1-N 2.89Å
620	G	96.5	Very high	97	Very high	60 Å²	60	30.6 Å²	30.6	62%	0.619	17%	0.168	S	C	*	.	S	Bend	trans	91.6	11.1	179.2	0	0	0	0	0	113.6	N617	N617-G620 PolarHBondContact O-N 2.83Å
621	M	97.9	Very high	97.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.168	C	C	.	.			trans	-74.8	132.2	171.1	-177.1	176.5	174.9	0	0	108.7	L560 A561 F562 F615 G616 N617 Q623 F749 G753	L560-M621 HydrophobicContact CB-SD 3.95Å; L560-M621 HydrophobicContact CD1-CB 4.36Å; L560-M621 HydrophobicContact CD1-SD 4.48Å; L560-M621 HydrophobicContact CD2-SD 4.01Å; L560-M621 HydrophobicContact CG-SD 4.37Å; A561-M621 HydrophobicContact CB-CE 4.13Å; A561-M621 WeakPolarHBondContact O-CE 3.5Å; F562-M621 HydrophobicContact CD1-CB 4.26Å; F562-M621 HydrophobicContact CE1-CB 3.93Å; F562-M621 HydrophobicContact CZ-CB 4.38Å; F615-M621 HydrophobicContact CD1-CE 4.16Å; F615-M621 HydrophobicContact CD1-SD 4.14Å; F615-M621 HydrophobicContact CE1-SD 4.17Å; G616-M621 CarbonylContact C-O 3.55Å; G616-M621 WeakPolarHBondContact CA-O 3.41Å; N617-M621 PolarHBondContact N-O 3.36Å; N617-M621 PolarHBondContact OD1-N 2.87Å; M621-Q623 HydrophobicContact CE-CB 3.88Å; M621-Q623 HydrophobicContact CE-CG 3.84Å; M621-Q623 HydrophobicContact CG-CG 4.18Å; M621-F749 HydrophobicContact CE-CB 4.4Å; M621-F749 HydrophobicContact CE-CD1 4.14Å; M621-F749 HydrophobicContact CE-CD2 4.24Å; M621-F749 HydrophobicContact CE-CG 4.01Å; M621-G753 WeakPolarHBondContact CE-O 3.1Å
622	L	98.1	Very high	97.3	Very high	68 Å²	68	29.5 Å²	29.5	36%	0.356	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	106.5	166.9	178.3	62.2	0	0	0	106.9	E462 V465 V614 F615	E462-L622 HydrophobicContact CB-CD2 4.41Å; V465-L622 HydrophobicContact CB-CD1 3.91Å; V465-L622 HydrophobicContact CG1-CD1 3.46Å; V465-L622 VanDerWaalsContact CG1-CD1 3.46Å; V614-L622 HydrophobicContact CG1-CD1 3.92Å; F615-L622 WeakPolarHBondContact O-CA 3.49Å
623	Q	97.8	Very high	97.5	Very high	43 Å²	43	31.1 Å²	31.1	20%	0.201	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.5	-175.7	-75.5	-60.8	-27.5	0	0	110.7	F562 A564 V614 F615 M621 F749	F562-Q623 PolarHBondContact O-NE2 3.4Å; A564-Q623 HydrophobicContact CB-CB 4.48Å; A564-Q623 HydrophobicContact CB-CG 4.18Å; V614-Q623 CarbonylContact C-O 3.57Å; V614-Q623 WeakPolarHBondContact CA-O 3.43Å; F615-Q623 PolarHBondContact N-O 3.21Å; F615-Q623 PolarHBondContact O-N 2.91Å; M621-Q623 HydrophobicContact CE-CB 3.88Å; M621-Q623 HydrophobicContact CE-CG 3.84Å; M621-Q623 HydrophobicContact CG-CG 4.18Å; Q623-F749 HydrophobicContact CB-CD1 4.34Å; Q623-F749 HydrophobicContact CB-CE1 3.6Å; Q623-F749 HydrophobicContact CB-CZ 3.91Å
624	G	95.4	Very high	97.6	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.3	177.5	0	0	0	0	0	112.5	R458 K613	R458-G624 PolarHBondContact NH1-O 3.21Å; R458-G624 PolarHBondContact NH2-O 2.8Å; K613-G624 CarbonylContact O-C 3.6Å; K613-G624 WeakPolarHBondContact O-CA 3.18Å
625	Y	95.6	Very high	97.6	Very high	34 Å²	34	27.6 Å²	27.6	13%	0.133	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.4	175.1	64.1	-88	0	0	0	110.5	L569 K613 P748 F749	L569-Y625 HydrophobicContact CD1-CD2 4.26Å; L569-Y625 HydrophobicContact CD1-CE2 4.32Å; K613-Y625 HydrophobicContact CB-CE1 4.19Å; K613-Y625 HydrophobicContact CD-CE1 4.36Å; K613-Y625 HydrophobicContact CD-CE2 4.06Å; K613-Y625 VanDerWaalsContact CD-OH 3.28Å; K613-Y625 WeakPolarHBondContact CD-OH 3.34Å; K613-Y625 PolarHBondContact N-O 3.24Å; K613-Y625 PolarHBondContact O-N 2.85Å; Y625-P748 HydrophobicContact CD1-CG 3.62Å; Y625-P748 HydrophobicContact CE1-CG 3.81Å; Y625-P748 HydrophobicContact CG-CG 4.16Å; Y625-F749 AromaticContact CD1-CE1 3.94Å; Y625-F749 HydrophobicContact CD1-CE1 3.94Å; Y625-F749 AromaticContact CD1-CZ 3.86Å; Y625-F749 HydrophobicContact CD1-CZ 3.86Å; Y625-F749 HydrophobicContact CE1-CE1 4.16Å; Y625-F749 HydrophobicContact CE1-CE2 4.27Å; Y625-F749 AromaticContact CE1-CZ 3.84Å; Y625-F749 HydrophobicContact CE1-CZ 3.84Å
626	C	95.9	Very high	97.6	Very high	21 Å²	21	27.1 Å²	27.1	14%	0.142	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.4	173.9	-55.1	0	0	0	0	108.9	V454 F570 G611	V454-C626 HydrophobicContact CG1-CB 4.31Å; F570-C626 HydrophobicContact CB-CB 3.91Å; F570-C626 HydrophobicContact CD1-CB 4.15Å; F570-C626 HydrophobicContact CD2-CB 3.55Å; F570-C626 HydrophobicContact CE2-CB 4.11Å; F570-C626 HydrophobicContact CG-CB 3.59Å; G611-C626 CarbonylContact O-C 3.52Å; G611-C626 WeakPolarHBondContact O-CA 3.29Å
627	S	96.1	Very high	97.6	Very high	19 Å²	19	28.1 Å²	28.1	13%	0.133	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.4	173.6	64.7	0	0	0	0	110.8	L569 Y610 G611	L569-S627 CarbonylContact O-C 3.56Å; L569-S627 VanDerWaalsContact O-CA 3.24Å; L569-S627 WeakPolarHBondContact O-CA 3.26Å; Y610-S627 CarbonylContact C-O 3.59Å; Y610-S627 VanDerWaalsContact CA-O 3.28Å; Y610-S627 WeakPolarHBondContact CA-O 3.45Å; G611-S627 PolarHBondContact N-O 2.85Å; G611-S627 PolarHBondContact O-N 3.02Å
628	T	97.2	Very high	97.6	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.7	174	50.1	0	0	0	0	111.1	L569 F570 H571 P572 H609 R654	L569-T628 PolarHBondContact O-N 2.76Å; L569-T628 PolarHBondContact O-OG1 2.93Å; F570-T628 HydrophobicContact CD2-CG2 3.6Å; F570-T628 HydrophobicContact CE2-CG2 3.86Å; H571-T628 VanDerWaalsContact C-CG2 3.49Å; H571-T628 WeakPolarHBondContact CA-OG1 3.4Å; H571-T628 PolarHBondContact N-OG1 2.81Å; H571-T628 PolarHBondContact O-OG1 3.32Å; P572-T628 HydrophobicContact CB-CG2 4.16Å; H609-T628 CarbonylContact O-C 3.51Å; H609-T628 VanDerWaalsContact O-CA 3.25Å; H609-T628 WeakPolarHBondContact O-CA 3.31Å; T628-R654 WeakPolarHBondContact CB-O 3.32Å; T628-R654 WeakPolarHBondContact O-CD 3.42Å; T628-R654 PolarHBondContact O-NH1 3.31Å; T628-R654 PolarHBondContact OG1-O 2.79Å
629	R	97	Very high	97.5	Very high	95 Å²	95	29.1 Å²	29.1	36%	0.358	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	122.6	171.9	-174.4	172.6	-79.5	-106.4	5.3	108.1	H609 I652 G653 L744	H609-R629 PolarHBondContact N-O 3.08Å; H609-R629 PolarHBondContact O-N 3.15Å; R629-I652 HydrophobicContact CG-CD1 4.01Å; R629-I652 HydrophobicContact CG-CG1 4.04Å; R629-G653 WeakPolarHBondContact CA-O 3.45Å; R629-L744 PolarHBondContact NH2-O 3.32Å
630	H	98.1	Very high	97.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.2	173.5	-49.1	-70.6	0	0	0	108.4	H571 N607 S608 I652 G653 R654 M656 L659	H571-H630 PolarHBondContact O-NE2 3.49Å; N607-H630 CarbonylContact O-C 3.57Å; N607-H630 VanDerWaalsContact O-CA 3.22Å; N607-H630 WeakPolarHBondContact O-CA 3.29Å; S608-H630 WeakPolarHBondContact CB-ND1 3.37Å; S608-H630 PolarHBondContact OG-CE1 2.82Å; S608-H630 PolarHBondContact OG-ND1 2.84Å; H630-I652 WeakPolarHBondContact O-CA 3.34Å; H630-I652 WeakPolarHBondContact O-CG1 3.23Å; H630-G653 PolarHBondContact N-O 3.01Å; H630-G653 PolarHBondContact O-N 3.48Å; H630-R654 PolarHBondContact CD2-O 3.39Å; H630-R654 PolarHBondContact NE2-O 2.85Å; H630-M656 HydrophobicContact CB-SD 3.82Å; H630-L659 HydrophobicContact CB-CD1 3.86Å; H630-L659 HydrophobicContact CB-CD2 4.34Å; H630-L659 HydrophobicContact CB-CG 4.35Å; H630-L659 WeakPolarHBondContact O-CD2 3.24Å
631	S	98.5	Very high	97	Very high	22 Å²	22	32.7 Å²	32.7	15%	0.154	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149	175.6	60.5	0	0	0	0	111.8	F606 N607 T651	F606-S631 WeakPolarHBondContact CA-O 3.08Å; N607-S631 PolarHBondContact N-O 2.58Å; N607-S631 PolarHBondContact O-N 2.83Å; S631-T651 WeakPolarHBondContact CA-O 2.91Å; S631-T651 WeakPolarHBondContact CB-O 3.18Å
632	L	98.7	Very high	96.4	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.8	174.4	-179.7	64.2	0	0	0	108.8	L583 A587 S605 F606 Y650 T651 P662 V665	L583-L632 HydrophobicContact CB-CD1 4.42Å; L583-L632 WeakPolarHBondContact O-CD1 3.31Å; A587-L632 HydrophobicContact CB-CD1 4.09Å; A587-L632 HydrophobicContact CB-CD2 4.25Å; A587-L632 HydrophobicContact CB-CG 4.15Å; S605-L632 CarbonylContact O-C 3.48Å; S605-L632 WeakPolarHBondContact O-CA 3.48Å; F606-L632 HydrophobicContact CB-CD1 4.09Å; F606-L632 HydrophobicContact CD2-CB 4.44Å; F606-L632 HydrophobicContact CD2-CD1 4.29Å; L632-Y650 CarbonylContact O-C 3.54Å; L632-Y650 WeakPolarHBondContact O-CA 3.39Å; L632-Y650 WeakPolarHBondContact O-CB 3.25Å; L632-T651 HydrophobicContact CB-CG2 3.87Å; L632-T651 PolarHBondContact N-O 3.12Å; L632-T651 PolarHBondContact O-N 3.33Å; L632-P662 HydrophobicContact CD2-CB 3.85Å; L632-P662 HydrophobicContact CD2-CG 3.73Å; L632-V665 HydrophobicContact CD2-CG2 4.18Å; L632-V665 HydrophobicContact CG-CG2 4.24Å
633	S	98.6	Very high	95.9	Very high	33 Å²	33	35.8 Å²	35.8	23%	0.231	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.5	-178	60.5	0	0	0	0	112.1	G604 S605 A649	G604-S633 CarbonylContact C-O 3.54Å; G604-S633 WeakPolarHBondContact CA-O 3.13Å; S605-S633 PolarHBondContact N-O 3.46Å; S605-S633 PolarHBondContact O-N 2.96Å; S605-S633 PolarHBondContact O-OG 2.7Å; S633-A649 VanDerWaalsContact CA-O 3.24Å; S633-A649 WeakPolarHBondContact CA-O 3.29Å; S633-A649 WeakPolarHBondContact CB-O 3.49Å
634	S	98.7	Very high	95.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.5	173.4	-175.2	0	0	0	0	109.5	A587 E588 G603 Y648 A649 C669	A587-S634 PolarHBondContact O-OG 2.65Å; E588-S634 WeakPolarHBondContact CA-OG 3.45Å; G603-S634 WeakPolarHBondContact O-CA 3.43Å; S634-Y648 WeakPolarHBondContact O-CA 3.3Å; S634-Y648 VanDerWaalsContact O-CB 3.29Å; S634-Y648 WeakPolarHBondContact O-CB 3.34Å; S634-A649 PolarHBondContact N-O 3.29Å; S634-A649 PolarHBondContact O-N 2.82Å; S634-C669 VanDerWaalsContact C-SG 3.56Å; S634-C669 PolarHBondContact O-SG 3.09Å
635	C	98.5	Very high	95.7	Very high	27 Å²	27	40.8 Å²	40.8	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.4	174.4	-177.6	0	0	0	0	110.3	T601 E602 G603 D647	T601-C635 PolarHBondContact OG1-O 3.37Å; E602-C635 HydrophobicContact CB-CB 3.98Å; E602-C635 PolarHBondContact N-O 2.75Å; G603-C635 PolarHBondContact N-O 3.38Å; G603-C635 PolarHBondContact O-N 3.19Å; C635-D647 WeakPolarHBondContact CA-O 3.02Å; C635-D647 PolarHBondContact SG-O 3.12Å
636	V	98.6	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	167	-178.3	-57.9	0	0	0	0	112.1	A591 I598 R646 D647 T673	A591-V636 HydrophobicContact CB-CG1 3.54Å; A591-V636 HydrophobicContact CB-CG2 4.24Å; I598-V636 HydrophobicContact CD1-CG2 4.2Å; I598-V636 HydrophobicContact CG1-CG2 4.46Å; I598-V636 HydrophobicContact CG2-CB 3.71Å; I598-V636 HydrophobicContact CG2-CG1 4.31Å; I598-V636 HydrophobicContact CG2-CG2 3.74Å; V636-R646 WeakPolarHBondContact O-CA 3.29Å; V636-R646 WeakPolarHBondContact O-CB 3.36Å; V636-D647 PolarHBondContact N-O 2.95Å; V636-D647 PolarHBondContact O-N 2.88Å; V636-T673 HydrophobicContact CG2-CG2 4.12Å; V636-T673 WeakPolarHBondContact O-CG2 3.06Å
637	I	98.5	Very high	95.7	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.3	-178.2	-51.2	175	0	0	0	107.9	T599 N600 E602 M644 E645 R646	T599-I637 PolarHBondContact N-O 3.37Å; N600-I637 HydrophobicContact CB-CB 4.12Å; N600-I637 HydrophobicContact CB-CD1 4.29Å; N600-I637 PolarHBondContact N-O 3.02Å; N600-I637 PolarHBondContact O-N 2.93Å; E602-I637 HydrophobicContact CG-CD1 4.16Å; E602-I637 HydrophobicContact CG-CG1 4.36Å; I637-M644 HydrophobicContact CG2-CB 4.16Å; I637-E645 CarbonylContact C-O 3.5Å; I637-E645 WeakPolarHBondContact CA-O 3.29Å; I637-R646 HydrophobicContact CG1-CB 4.05Å
638	A	98.2	Very high	95.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.2	172.2	0	0	0	0	0	111.2	R597 I598 M644 E645 T673 L674 L677	R597-A638 CarbonylContact O-C 3.4Å; R597-A638 WeakPolarHBondContact O-CA 3.44Å; I598-A638 HydrophobicContact CG1-CB 4.15Å; A638-M644 WeakPolarHBondContact O-CA 3.24Å; A638-E645 PolarHBondContact N-O 2.81Å; A638-E645 PolarHBondContact O-N 2.98Å; A638-T673 HydrophobicContact CB-CG2 3.75Å; A638-L674 HydrophobicContact CB-CD2 4.07Å; A638-L677 HydrophobicContact CB-CD1 4.05Å; A638-L677 HydrophobicContact CB-CD2 3.82Å; A638-L677 HydrophobicContact CB-CG 4.07Å
639	E	97	Very high	95.6	Very high	81 Å²	81	51.2 Å²	51.2	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	179.3	-172.2	-176.9	167.4	0	0	111.1	R597 T599 D643 M644	R597-E639 PolarHBondContact O-N 2.92Å; T599-E639 HydrophobicContact CG2-CB 4.2Å; E639-D643 WeakPolarHBondContact CA-O 3.3Å; E639-M644 HydrophobicContact CB-CG 4.05Å; E639-M644 HydrophobicContact CG-CG 3.85Å
640	E	93.4	Very high	95.6	Very high	55 Å²	55	52.2 Å²	52.2	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	128	171.5	-168.8	171.4	-114.4	0	0	109.8	R597 G642 D643 L677 S678	R597-E640 WeakPolarHBondContact CD-OE1 3.5Å; R597-E640 IonicContact CZ-OE1 3.94Å; R597-E640 IonicContact NH1-OE1 3.24Å; R597-E640 PolarHBondContact NH1-OE1 2.93Å; E640-G642 PolarHBondContact O-N 2.83Å; E640-G642 VanDerWaalsContact O-N 3.09Å; E640-D643 PolarHBondContact N-O 3.01Å; E640-D643 PolarHBondContact O-N 3.38Å; E640-L677 HydrophobicContact CB-CB 4.49Å; E640-L677 HydrophobicContact CB-CD1 4.18Å; E640-L677 HydrophobicContact CB-CD2 3.9Å; E640-L677 HydrophobicContact CB-CG 4.44Å; E640-S678 PolarHBondContact OE2-OG 3.05Å
641	N	89.5	Confident	95.6	Very high	148 Å²	148	52.9 Å²	52.9	79%	0.791	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	25.5	-178.3	-55.9	-48	0	0	0	115.2	D643	N641-D643 VanDerWaalsContact C-N 3.31Å
642	G	84.7	Confident	95.5	Very high	48 Å²	48	54.3 Å²	54.3	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-6	-178	0	0	0	0	0	114.6	E640	E640-G642 PolarHBondContact O-N 2.83Å; E640-G642 VanDerWaalsContact O-N 3.09Å
643	D	88.4	Confident	95.4	Very high	87 Å²	87	54.4 Å²	54.4	47%	0.465	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.1	169.9	-68.3	-30.9	0	0	0	108.9	E639 E640 N641	E639-D643 WeakPolarHBondContact CA-O 3.3Å; E640-D643 PolarHBondContact N-O 3.01Å; E640-D643 PolarHBondContact O-N 3.38Å; N641-D643 VanDerWaalsContact C-N 3.31Å
644	M	93.9	Very high	95.3	Very high	124 Å²	124	53.6 Å²	53.6	61%	0.611	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.2	178.3	-70.2	-176.5	-69.7	0	0	110.2	I637 A638 E639	I637-M644 HydrophobicContact CG2-CB 4.16Å; A638-M644 WeakPolarHBondContact O-CA 3.24Å; E639-M644 HydrophobicContact CB-CG 4.05Å; E639-M644 HydrophobicContact CG-CG 3.85Å
645	E	95.3	Very high	95.1	Very high	31 Å²	31	53.9 Å²	53.9	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.9	176.3	-75.6	-70.6	154.1	0	0	110	I637 A638 T673 R676 P679	I637-E645 CarbonylContact C-O 3.5Å; I637-E645 WeakPolarHBondContact CA-O 3.29Å; A638-E645 PolarHBondContact N-O 2.81Å; A638-E645 PolarHBondContact O-N 2.98Å; E645-T673 WeakPolarHBondContact O-CG2 3.32Å; E645-R676 HydrophobicContact CB-CB 3.85Å; E645-R676 HydrophobicContact CG-CB 3.99Å; E645-R676 IonicContact OE2-CZ 2.74Å; E645-R676 IonicContact OE2-NE 3.62Å; E645-R676 PolarHBondContact OE2-NE 3.05Å; E645-R676 IonicContact OE2-NH2 3.14Å; E645-R676 PolarHBondContact OE2-NH2 3.35Å; E645-P679 HydrophobicContact CG-CG 4.44Å; E645-P679 WeakPolarHBondContact OE1-CG 3.49Å
646	R	95	Very high	94.8	Very high	140 Å²	140	55.5 Å²	55.5	53%	0.528	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.1	178.3	73.5	177.4	-177.1	-178.1	1.8	110.5	V636 I637	V636-R646 WeakPolarHBondContact O-CA 3.29Å; V636-R646 WeakPolarHBondContact O-CB 3.36Å; I637-R646 HydrophobicContact CG1-CB 4.05Å
647	D	95	Very high	94.4	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	175.4	165.4	-143.9	-29.1	0	0	0	110.1	C635 V636 R672 T673 R676	C635-D647 WeakPolarHBondContact CA-O 3.02Å; C635-D647 PolarHBondContact SG-O 3.12Å; V636-D647 PolarHBondContact N-O 2.95Å; V636-D647 PolarHBondContact O-N 2.88Å; D647-R672 HydrophobicContact CB-CB 3.93Å; D647-T673 PolarHBondContact N-OG1 3.5Å; D647-T673 PolarHBondContact O-OG1 3.21Å; D647-R676 WeakPolarHBondContact OD2-CD 3.35Å; D647-R676 IonicContact OD2-NH1 3.19Å
648	Y	95.9	Very high	94	Very high	127 Å²	127	62.6 Å²	62.6	50%	0.498	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.9	-179.1	72.7	-79.6	0	0	0	111.6	S634 Y650 R672	S634-Y648 WeakPolarHBondContact O-CA 3.3Å; S634-Y648 VanDerWaalsContact O-CB 3.29Å; S634-Y648 WeakPolarHBondContact O-CB 3.34Å; Y648-Y650 HydrophobicContact CD2-CD1 4.17Å; Y648-Y650 AromaticContact CE2-CD1 3.71Å; Y648-Y650 HydrophobicContact CE2-CD1 3.71Å; Y648-Y650 HydrophobicContact CE2-CE1 4.13Å; Y648-R672 WeakPolarHBondContact O-CD 3.38Å
649	A	97	Very high	93.8	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.017	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.4	167.1	0	0	0	0	0	109.6	S633 S634 V665 D668 C669	S633-A649 VanDerWaalsContact CA-O 3.24Å; S633-A649 WeakPolarHBondContact CA-O 3.29Å; S633-A649 WeakPolarHBondContact CB-O 3.49Å; S634-A649 PolarHBondContact N-O 3.29Å; S634-A649 PolarHBondContact O-N 2.82Å; A649-V665 HydrophobicContact CB-CG1 4.46Å; A649-D668 HydrophobicContact CB-CB 4.01Å; A649-D668 WeakPolarHBondContact CB-OD2 3.47Å; A649-C669 HydrophobicContact CB-CB 3.82Å
650	Y	96.9	Very high	93.5	Very high	115 Å²	115	61.5 Å²	61.5	45%	0.451	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.2	179.2	74.6	-78.5	0	0	0	111.9	L632 Y648 I652	L632-Y650 CarbonylContact O-C 3.54Å; L632-Y650 WeakPolarHBondContact O-CA 3.39Å; L632-Y650 WeakPolarHBondContact O-CB 3.25Å; Y648-Y650 HydrophobicContact CD2-CD1 4.17Å; Y648-Y650 AromaticContact CE2-CD1 3.71Å; Y648-Y650 HydrophobicContact CE2-CD1 3.71Å; Y648-Y650 HydrophobicContact CE2-CE1 4.13Å; Y650-I652 HydrophobicContact CD2-CB 4.42Å; Y650-I652 HydrophobicContact CD2-CG2 4.29Å; Y650-I652 HydrophobicContact CE2-CB 4.48Å; Y650-I652 HydrophobicContact CE2-CG2 3.91Å
651	T	97.8	Very high	93.6	Very high	15 Å²	15	62.4 Å²	62.4	9%	0.092	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.1	170	-176.7	0	0	0	0	109.2	S631 L632 L659 Q660 V665	S631-T651 WeakPolarHBondContact CA-O 2.91Å; S631-T651 WeakPolarHBondContact CB-O 3.18Å; L632-T651 HydrophobicContact CB-CG2 3.87Å; L632-T651 PolarHBondContact N-O 3.12Å; L632-T651 PolarHBondContact O-N 3.33Å; T651-L659 HydrophobicContact CG2-CB 4.03Å; T651-L659 HydrophobicContact CG2-CD2 4.22Å; T651-Q660 HydrophobicContact CG2-CB 4Å; T651-Q660 PolarHBondContact OG1-N 2.84Å; T651-V665 HydrophobicContact CG2-CG2 3.71Å
652	I	97.1	Very high	94	Very high	53 Å²	53	55.8 Å²	55.8	27%	0.272	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.4	-173.3	-170.6	157.3	0	0	0	111.4	R629 H630 Y650 L744	R629-I652 HydrophobicContact CG-CD1 4.01Å; R629-I652 HydrophobicContact CG-CG1 4.04Å; H630-I652 WeakPolarHBondContact O-CA 3.34Å; H630-I652 WeakPolarHBondContact O-CG1 3.23Å; Y650-I652 HydrophobicContact CD2-CB 4.42Å; Y650-I652 HydrophobicContact CD2-CG2 4.29Å; Y650-I652 HydrophobicContact CE2-CB 4.48Å; Y650-I652 HydrophobicContact CE2-CG2 3.91Å; I652-L744 HydrophobicContact CG2-CD1 3.89Å
653	G	96.4	Very high	94.7	Very high	6 Å²	6	57.2 Å²	57.2	6%	0.062	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	170.5	-175.1	0	0	0	0	0	113.5	R629 H630	R629-G653 WeakPolarHBondContact CA-O 3.45Å; H630-G653 PolarHBondContact N-O 3.01Å; H630-G653 PolarHBondContact O-N 3.48Å
654	R	96.2	Very high	95	Very high	15 Å²	15	55 Å²	55	6%	0.057	27%	0.269	C	S	.	.	S	Bend	trans	-81.3	-41	171.7	-68.4	-60.8	-171.6	-175.4	2.3	110.9	H571 T628 H630 K742 G743 L744	H571-R654 WeakPolarHBondContact CB-O 3.35Å; T628-R654 WeakPolarHBondContact CB-O 3.32Å; T628-R654 WeakPolarHBondContact O-CD 3.42Å; T628-R654 PolarHBondContact O-NH1 3.31Å; T628-R654 PolarHBondContact OG1-O 2.79Å; H630-R654 PolarHBondContact CD2-O 3.39Å; H630-R654 PolarHBondContact NE2-O 2.85Å; R654-K742 HydrophobicContact CB-CB 4.32Å; R654-K742 HydrophobicContact CG-CB 4.04Å; R654-K742 WeakPolarHBondContact CG-O 3.49Å; R654-G743 PolarHBondContact NE-O 2.98Å; R654-G743 PolarHBondContact NH2-O 3.21Å; R654-L744 PolarHBondContact NH2-O 3.46Å; R654-L744 VanDerWaalsContact NH2-O 3.08Å
655	A	94.2	Very high	95.2	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	24%	0.24	C	C	.	.	S	Bend	trans	-106.1	153.3	176	0	0	0	0	0	111.1	H571 S657 D658	H571-A655 HydrophobicContact CB-CB 3.68Å; A655-S657 PolarHBondContact O-N 3.26Å; A655-D658 WeakPolarHBondContact CB-OD2 3.37Å; A655-D658 PolarHBondContact N-OD2 2.98Å; A655-D658 WeakPolarHBondContact O-CB 3.33Å; A655-D658 PolarHBondContact O-N 3.44Å
656	M	92.5	Very high	95.3	Very high	61 Å²	61	47.6 Å²	47.6	30%	0.3	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58.9	-35.2	175.1	-75.5	-67.4	-74.1	0	0	112.1	A573 V575 L583 F606 H630 D658 L659	A573-M656 HydrophobicContact CB-CG 3.51Å; V575-M656 HydrophobicContact CG2-CE 4.18Å; V575-M656 HydrophobicContact CG2-SD 4.49Å; L583-M656 HydrophobicContact CD1-CE 3.97Å; F606-M656 HydrophobicContact CE2-CE 3.78Å; F606-M656 HydrophobicContact CE2-SD 3.92Å; F606-M656 HydrophobicContact CZ-CE 3.65Å; F606-M656 HydrophobicContact CZ-SD 3.71Å; H630-M656 HydrophobicContact CB-SD 3.82Å; M656-D658 PolarHBondContact O-N 2.89Å; M656-L659 WeakPolarHBondContact O-CB 3.31Å; M656-L659 PolarHBondContact O-N 3.48Å; M656-L659 VanDerWaalsContact O-N 3.15Å; M656-L659 HydrophobicContact SD-CD1 4.07Å
657	S	90	Very high	95.4	Very high	107 Å²	107	43.4 Å²	43.4	75%	0.748	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-68.2	-12.1	177.1	60.9	0	0	0	0	114.4	A655 L659	A655-S657 PolarHBondContact O-N 3.26Å; S657-L659 VanDerWaalsContact C-N 3.33Å
658	D	89.3	Confident	95.5	Very high	64 Å²	64	43 Å²	43	34%	0.342	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-87.3	-8.2	176.1	-53.5	-30.1	0	0	0	111.9	A655 M656 K742	A655-D658 WeakPolarHBondContact CB-OD2 3.37Å; A655-D658 PolarHBondContact N-OD2 2.98Å; A655-D658 WeakPolarHBondContact O-CB 3.33Å; A655-D658 PolarHBondContact O-N 3.44Å; M656-D658 PolarHBondContact O-N 2.89Å; D658-K742 IonicContact OD1-NZ 3.29Å; D658-K742 PolarHBondContact OD1-NZ 3.26Å; D658-K742 WeakPolarHBondContact OD2-CE 3.33Å; D658-K742 IonicContact OD2-NZ 3.91Å; D658-K742 PolarHBondContact OD2-NZ 2.95Å
659	L	93.8	Very high	95.6	Very high	28 Å²	28	36.9 Å²	36.9	15%	0.147	20%	0.202	C	C	.	.	S	Bend	trans	-81.4	147.4	179	-58.1	-173.2	0	0	0	111.2	F606 H630 T651 M656 S657	F606-L659 HydrophobicContact CE2-CD1 4.25Å; H630-L659 HydrophobicContact CB-CD1 3.86Å; H630-L659 HydrophobicContact CB-CD2 4.34Å; H630-L659 HydrophobicContact CB-CG 4.35Å; H630-L659 WeakPolarHBondContact O-CD2 3.24Å; T651-L659 HydrophobicContact CG2-CB 4.03Å; T651-L659 HydrophobicContact CG2-CD2 4.22Å; M656-L659 WeakPolarHBondContact O-CB 3.31Å; M656-L659 PolarHBondContact O-N 3.48Å; M656-L659 VanDerWaalsContact O-N 3.15Å; M656-L659 HydrophobicContact SD-CD1 4.07Å; S657-L659 VanDerWaalsContact C-N 3.33Å
660	Q	92.1	Very high	95.7	Very high	31 Å²	31	36.9 Å²	36.9	15%	0.145	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.2	158	164.2	-66.1	-68.4	14.4	0	0	111.7	T651 W664 P913 E916	T651-Q660 HydrophobicContact CG2-CB 4Å; T651-Q660 PolarHBondContact OG1-N 2.84Å; Q660-W664 HydrophobicContact CB-CB 4.23Å; Q660-W664 HydrophobicContact CB-CD2 3.73Å; Q660-W664 HydrophobicContact CB-CE3 3.31Å; Q660-W664 HydrophobicContact CB-CG 4.12Å; Q660-W664 HydrophobicContact CB-CZ3 3.96Å; Q660-W664 HydrophobicContact CG-CD2 3.77Å; Q660-W664 HydrophobicContact CG-CE3 3.53Å; Q660-W664 HydrophobicContact CG-CG 4.38Å; Q660-W664 HydrophobicContact CG-CH2 4.24Å; Q660-W664 HydrophobicContact CG-CZ2 4.44Å; Q660-W664 HydrophobicContact CG-CZ3 3.8Å; Q660-P913 VanDerWaalsContact NE2-C 3.29Å; Q660-P913 VanDerWaalsContact NE2-CB 3.25Å; Q660-P913 PolarHBondContact NE2-O 3.07Å; Q660-P913 PolarHBondContact OE1-O 3.11Å; Q660-P913 VanDerWaalsContact OE1-O 3.12Å; Q660-E916 PolarHBondContact NE2-OE2 2.97Å
661	T	95.3	Very high	95.7	Very high	74 Å²	74	37.9 Å²	37.9	45%	0.454	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-63.8	151.9	176.3	63.1	0	0	0	0	111.5	E663 W664 V665	T661-E663 PolarHBondContact O-N 3.18Å; T661-W664 WeakPolarHBondContact O-CB 3.49Å; T661-W664 PolarHBondContact O-N 3.44Å; T661-W664 VanDerWaalsContact O-N 3.13Å; T661-W664 WeakPolarHBondContact OG1-CB 3.37Å; T661-W664 PolarHBondContact OG1-N 2.98Å; T661-V665 PolarHBondContact O-N 3.19Å; T661-V665 VanDerWaalsContact O-N 3.15Å
662	P	97.9	Very high	95.6	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-53.6	-42.1	172.2	-24.6	32.9	0	0	0	113	L583 R586 A587 L632 W664 V665 G666	L583-P662 HydrophobicContact CD2-CG 3.67Å; R586-P662 HydrophobicContact CB-CB 3.6Å; R586-P662 HydrophobicContact CB-CG 4.26Å; A587-P662 VanDerWaalsContact CA-O 3.29Å; A587-P662 WeakPolarHBondContact CA-O 3.37Å; A587-P662 HydrophobicContact CB-CB 4.05Å; L632-P662 HydrophobicContact CD2-CB 3.85Å; L632-P662 HydrophobicContact CD2-CG 3.73Å; P662-W664 VanDerWaalsContact C-N 3.29Å; P662-W664 PolarHBondContact O-N 3.08Å; P662-V665 PolarHBondContact O-N 3.47Å; P662-G666 PolarHBondContact O-N 2.96Å
663	E	97.6	Very high	95.6	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-62.5	-37.1	179.7	-68.6	68.6	-147.2	0	0	112	R586 T661 G666 A667	R586-E663 IonicContact CZ-OE1 3.85Å; R586-E663 VanDerWaalsContact CZ-OE1 3.23Å; R586-E663 IonicContact CZ-OE2 2.78Å; R586-E663 IonicContact NE-OE1 3.53Å; R586-E663 PolarHBondContact NE-OE1 2.75Å; R586-E663 IonicContact NH2-OE1 2.92Å; R586-E663 PolarHBondContact NH2-OE1 3.38Å; R586-E663 IonicContact NH2-OE2 3.07Å; R586-E663 PolarHBondContact NH2-OE2 2.7Å; T661-E663 PolarHBondContact O-N 3.18Å; E663-G666 PolarHBondContact O-N 3.27Å; E663-A667 WeakPolarHBondContact O-CB 3.38Å; E663-A667 PolarHBondContact O-N 3.31Å
664	W	95.5	Very high	95.6	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-48.8	173.9	177.8	87.2	0	0	0	111.9	Q660 T661 P662 G666 A667 D668 E916	Q660-W664 HydrophobicContact CB-CB 4.23Å; Q660-W664 HydrophobicContact CB-CD2 3.73Å; Q660-W664 HydrophobicContact CB-CE3 3.31Å; Q660-W664 HydrophobicContact CB-CG 4.12Å; Q660-W664 HydrophobicContact CB-CZ3 3.96Å; Q660-W664 HydrophobicContact CG-CD2 3.77Å; Q660-W664 HydrophobicContact CG-CE3 3.53Å; Q660-W664 HydrophobicContact CG-CG 4.38Å; Q660-W664 HydrophobicContact CG-CH2 4.24Å; Q660-W664 HydrophobicContact CG-CZ2 4.44Å; Q660-W664 HydrophobicContact CG-CZ3 3.8Å; T661-W664 WeakPolarHBondContact O-CB 3.49Å; T661-W664 PolarHBondContact O-N 3.44Å; T661-W664 VanDerWaalsContact O-N 3.13Å; T661-W664 WeakPolarHBondContact OG1-CB 3.37Å; T661-W664 PolarHBondContact OG1-N 2.98Å; P662-W664 VanDerWaalsContact C-N 3.29Å; P662-W664 PolarHBondContact O-N 3.08Å; W664-G666 PolarHBondContact O-N 3.47Å; W664-A667 PolarHBondContact O-N 3Å; W664-D668 HydrophobicContact CH2-CB 4.5Å; W664-D668 HydrophobicContact CZ2-CB 4.36Å; W664-D668 WeakPolarHBondContact O-CB 3.23Å; W664-D668 PolarHBondContact O-N 3.46Å; W664-E916 HydrophobicContact CG-CB 4.35Å; W664-E916 WeakPolarHBondContact CZ2-OE2 3.19Å; W664-E916 PolarHBondContact NE1-OE2 3.47Å
665	V	97.7	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-43.2	179.4	175.6	0	0	0	0	109.9	A587 L632 A649 T651 T661 P662 C669	A587-V665 HydrophobicContact CB-CB 4.21Å; A587-V665 HydrophobicContact CB-CG1 4.21Å; L632-V665 HydrophobicContact CD2-CG2 4.18Å; L632-V665 HydrophobicContact CG-CG2 4.24Å; A649-V665 HydrophobicContact CB-CG1 4.46Å; T651-V665 HydrophobicContact CG2-CG2 3.71Å; T661-V665 PolarHBondContact O-N 3.19Å; T661-V665 VanDerWaalsContact O-N 3.15Å; P662-V665 PolarHBondContact O-N 3.47Å; V665-C669 WeakPolarHBondContact O-CB 3.42Å; V665-C669 PolarHBondContact O-N 3.01Å
666	G	98.3	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-46.5	177.6	0	0	0	0	0	113.2	A587 A591 P662 E663 W664 D668 C669 A670	A587-G666 WeakPolarHBondContact O-CA 3.39Å; A591-G666 WeakPolarHBondContact CA-O 3.45Å; A591-G666 WeakPolarHBondContact CB-O 3.25Å; P662-G666 PolarHBondContact O-N 2.96Å; E663-G666 PolarHBondContact O-N 3.27Å; W664-G666 PolarHBondContact O-N 3.47Å; G666-D668 PolarHBondContact O-N 3.12Å; G666-C669 PolarHBondContact O-N 2.86Å; G666-A670 WeakPolarHBondContact O-CB 3.48Å; G666-A670 PolarHBondContact O-N 3.4Å
667	A	97.5	Very high	95.7	Very high	52 Å²	52	38 Å²	38	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-42.1	178.4	0	0	0	0	0	112.2	E663 W664 R671	E663-A667 WeakPolarHBondContact O-CB 3.38Å; E663-A667 PolarHBondContact O-N 3.31Å; W664-A667 PolarHBondContact O-N 3Å; A667-R671 WeakPolarHBondContact O-CB 3.31Å; A667-R671 PolarHBondContact O-N 2.77Å
668	D	96.9	Very high	95.7	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-70.3	-39.6	178.2	-171.4	58.7	0	0	0	112.1	A649 W664 G666 A670 R671 R672	A649-D668 HydrophobicContact CB-CB 4.01Å; A649-D668 WeakPolarHBondContact CB-OD2 3.47Å; W664-D668 HydrophobicContact CH2-CB 4.5Å; W664-D668 HydrophobicContact CZ2-CB 4.36Å; W664-D668 WeakPolarHBondContact O-CB 3.23Å; W664-D668 PolarHBondContact O-N 3.46Å; G666-D668 PolarHBondContact O-N 3.12Å; D668-A670 PolarHBondContact O-N 2.89Å; D668-R671 PolarHBondContact O-N 2.87Å; D668-R671 IonicContact OD1-CZ 3.98Å; D668-R671 VanDerWaalsContact OD1-CZ 3.3Å; D668-R671 IonicContact OD1-NE 3.67Å; D668-R671 PolarHBondContact OD1-NE 3.44Å; D668-R671 IonicContact OD1-NH2 2.64Å; D668-R671 PolarHBondContact OD1-NH2 2.84Å; D668-R672 WeakPolarHBondContact O-CB 3.11Å; D668-R672 VanDerWaalsContact O-CG 3.27Å; D668-R672 WeakPolarHBondContact O-CG 3.34Å; D668-R672 PolarHBondContact O-N 2.85Å; D668-R672 IonicContact OD1-NH1 2.92Å; D668-R672 WeakPolarHBondContact OD2-CD 3.39Å; D668-R672 IonicContact OD2-CZ 2.79Å; D668-R672 IonicContact OD2-NE 2.78Å; D668-R672 IonicContact OD2-NH1 2.67Å; D668-R672 PolarHBondContact OD2-NH1 3.28Å
669	C	98.4	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-47.1	172.8	175.7	0	0	0	0	111.7	A591 S634 A649 V665 G666 R672 T673	A591-C669 HydrophobicContact CB-CB 4.28Å; S634-C669 VanDerWaalsContact C-SG 3.56Å; S634-C669 PolarHBondContact O-SG 3.09Å; A649-C669 HydrophobicContact CB-CB 3.82Å; V665-C669 WeakPolarHBondContact O-CB 3.42Å; V665-C669 PolarHBondContact O-N 3.01Å; G666-C669 PolarHBondContact O-N 2.86Å; C669-R672 PolarHBondContact O-N 2.88Å; C669-T673 WeakPolarHBondContact O-CB 3.39Å; C669-T673 PolarHBondContact O-N 2.68Å; C669-T673 PolarHBondContact O-OG1 2.91Å
670	A	98.5	Very high	95.9	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-47.9	176.2	0	0	0	0	0	111.8	A591 A594 I598 G666 D668 R672 T673 L674	A591-A670 HydrophobicContact CB-CB 4.43Å; A594-A670 HydrophobicContact CB-CB 3.45Å; A594-A670 VanDerWaalsContact CB-CB 3.45Å; I598-A670 HydrophobicContact CD1-CB 3.52Å; G666-A670 WeakPolarHBondContact O-CB 3.48Å; G666-A670 PolarHBondContact O-N 3.4Å; D668-A670 PolarHBondContact O-N 2.89Å; A670-R672 VanDerWaalsContact C-N 3.34Å; A670-R672 PolarHBondContact O-N 3.03Å; A670-T673 PolarHBondContact O-N 2.99Å; A670-L674 WeakPolarHBondContact O-CB 3.38Å; A670-L674 WeakPolarHBondContact O-CD1 3.04Å; A670-L674 VanDerWaalsContact O-CG 3.23Å; A670-L674 WeakPolarHBondContact O-CG 3.28Å; A670-L674 PolarHBondContact O-N 2.83Å
671	R	97.2	Very high	95.9	Very high	135 Å²	135	43.4 Å²	43.4	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-56.6	-47.8	178.2	-177.2	-167.2	65.6	75.6	-1.2	111.5	A667 D668 S675	A667-R671 WeakPolarHBondContact O-CB 3.31Å; A667-R671 PolarHBondContact O-N 2.77Å; D668-R671 PolarHBondContact O-N 2.87Å; D668-R671 IonicContact OD1-CZ 3.98Å; D668-R671 VanDerWaalsContact OD1-CZ 3.3Å; D668-R671 IonicContact OD1-NE 3.67Å; D668-R671 PolarHBondContact OD1-NE 3.44Å; D668-R671 IonicContact OD1-NH2 2.64Å; D668-R671 PolarHBondContact OD1-NH2 2.84Å; R671-S675 WeakPolarHBondContact O-CB 3.48Å; R671-S675 PolarHBondContact O-N 2.78Å; R671-S675 PolarHBondContact O-OG 3.37Å
672	R	94.8	Very high	95.8	Very high	52 Å²	52	41.8 Å²	41.8	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-50.2	178.3	-72.5	177.5	129.8	108.8	0.7	111.2	D647 Y648 D668 C669 A670 L674 S675 E694	D647-R672 HydrophobicContact CB-CB 3.93Å; Y648-R672 WeakPolarHBondContact O-CD 3.38Å; D668-R672 WeakPolarHBondContact O-CB 3.11Å; D668-R672 VanDerWaalsContact O-CG 3.27Å; D668-R672 WeakPolarHBondContact O-CG 3.34Å; D668-R672 PolarHBondContact O-N 2.85Å; D668-R672 IonicContact OD1-NH1 2.92Å; D668-R672 WeakPolarHBondContact OD2-CD 3.39Å; D668-R672 IonicContact OD2-CZ 2.79Å; D668-R672 IonicContact OD2-NE 2.78Å; D668-R672 IonicContact OD2-NH1 2.67Å; D668-R672 PolarHBondContact OD2-NH1 3.28Å; C669-R672 PolarHBondContact O-N 2.88Å; A670-R672 VanDerWaalsContact C-N 3.34Å; A670-R672 PolarHBondContact O-N 3.03Å; R672-L674 PolarHBondContact O-N 2.82Å; R672-S675 PolarHBondContact O-N 2.98Å; R672-S675 PolarHBondContact O-OG 2.96Å; R672-E694 IonicContact CZ-OE1 2.73Å; R672-E694 IonicContact NH2-OE1 3.86Å; R672-E694 PolarHBondContact NH2-OE1 2.94Å; R672-E694 IonicContact NH2-OE2 2.77Å; R672-E694 PolarHBondContact NH2-OE2 3.01Å; R672-E694 VanDerWaalsContact NH2-OE2 3.09Å
673	T	97.4	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-48.8	179.9	-54.9	0	0	0	0	112.2	V636 A638 E645 D647 C669 A670 S675 R676	V636-T673 HydrophobicContact CG2-CG2 4.12Å; V636-T673 WeakPolarHBondContact O-CG2 3.06Å; A638-T673 HydrophobicContact CB-CG2 3.75Å; E645-T673 WeakPolarHBondContact O-CG2 3.32Å; D647-T673 PolarHBondContact N-OG1 3.5Å; D647-T673 PolarHBondContact O-OG1 3.21Å; C669-T673 WeakPolarHBondContact O-CB 3.39Å; C669-T673 PolarHBondContact O-N 2.68Å; C669-T673 PolarHBondContact O-OG1 2.91Å; A670-T673 PolarHBondContact O-N 2.99Å; T673-S675 VanDerWaalsContact C-N 3.29Å; T673-S675 PolarHBondContact O-N 3.35Å; T673-R676 PolarHBondContact O-N 3.29Å
674	L	97.2	Very high	95.4	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-32.9	-179.9	-70.4	166.6	0	0	0	112.6	D595 R597 I598 A638 A670 R672 R676 L677	D595-L674 HydrophobicContact CB-CD1 3.53Å; D595-L674 HydrophobicContact CB-CD2 3.92Å; D595-L674 HydrophobicContact CB-CG 4.34Å; R597-L674 HydrophobicContact CB-CD2 4.18Å; I598-L674 HydrophobicContact CD1-CD1 4.14Å; I598-L674 HydrophobicContact CD1-CD2 4.47Å; I598-L674 HydrophobicContact CD1-CG 4.16Å; I598-L674 HydrophobicContact CG1-CD2 4.02Å; I598-L674 HydrophobicContact CG1-CG 4.2Å; A638-L674 HydrophobicContact CB-CD2 4.07Å; A670-L674 WeakPolarHBondContact O-CB 3.38Å; A670-L674 WeakPolarHBondContact O-CD1 3.04Å; A670-L674 VanDerWaalsContact O-CG 3.23Å; A670-L674 WeakPolarHBondContact O-CG 3.28Å; A670-L674 PolarHBondContact O-N 2.83Å; R672-L674 PolarHBondContact O-N 2.82Å; L674-R676 PolarHBondContact O-N 3.08Å; L674-R676 VanDerWaalsContact O-N 3.16Å; L674-L677 HydrophobicContact CD2-CD1 3.81Å; L674-L677 PolarHBondContact O-N 3.39Å
675	S	94.6	Very high	95.3	Very high	42 Å²	42	51.6 Å²	51.6	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-64.2	-18.2	178.8	72.3	0	0	0	0	113.3	R671 R672 T673 F838 P848	R671-S675 WeakPolarHBondContact O-CB 3.48Å; R671-S675 PolarHBondContact O-N 2.78Å; R671-S675 PolarHBondContact O-OG 3.37Å; R672-S675 PolarHBondContact O-N 2.98Å; R672-S675 PolarHBondContact O-OG 2.96Å; T673-S675 VanDerWaalsContact C-N 3.29Å; T673-S675 PolarHBondContact O-N 3.35Å; S675-F838 VanDerWaalsContact O-CE1 3.23Å; S675-F838 WeakPolarHBondContact O-CE1 3.32Å; S675-F838 WeakPolarHBondContact OG-CZ 3.49Å; S675-P848 WeakPolarHBondContact O-CG 3.45Å
676	R	94.8	Very high	95	Very high	20 Å²	20	61.7 Å²	61.7	8%	0.075	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.9	-178.9	-63.2	177.1	66.1	124.3	1.2	114.4	E645 D647 T673 L674 P679 E818 P848	E645-R676 HydrophobicContact CB-CB 3.85Å; E645-R676 HydrophobicContact CG-CB 3.99Å; E645-R676 IonicContact OE2-CZ 2.74Å; E645-R676 IonicContact OE2-NE 3.62Å; E645-R676 PolarHBondContact OE2-NE 3.05Å; E645-R676 IonicContact OE2-NH2 3.14Å; E645-R676 PolarHBondContact OE2-NH2 3.35Å; D647-R676 WeakPolarHBondContact OD2-CD 3.35Å; D647-R676 IonicContact OD2-NH1 3.19Å; T673-R676 PolarHBondContact O-N 3.29Å; L674-R676 PolarHBondContact O-N 3.08Å; L674-R676 VanDerWaalsContact O-N 3.16Å; R676-P679 WeakPolarHBondContact O-CD 3.32Å; R676-E818 IonicContact CZ-OE2 2.74Å; R676-E818 IonicContact NH1-OE2 2.73Å; R676-E818 PolarHBondContact NH1-OE2 2.99Å; R676-E818 IonicContact NH2-OE2 3.97Å; R676-E818 PolarHBondContact NH2-OE2 3Å; R676-P848 WeakPolarHBondContact O-CG 3.19Å
677	L	95.1	Very high	94.7	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	33%	0.328	C	S	.	.	S	Bend	trans	-56.9	146.8	-174.5	-76.2	174.8	0	0	0	113.3	R597 A638 E640 L674 P848	R597-L677 HydrophobicContact CB-CD1 4.24Å; A638-L677 HydrophobicContact CB-CD1 4.05Å; A638-L677 HydrophobicContact CB-CD2 3.82Å; A638-L677 HydrophobicContact CB-CG 4.07Å; E640-L677 HydrophobicContact CB-CB 4.49Å; E640-L677 HydrophobicContact CB-CD1 4.18Å; E640-L677 HydrophobicContact CB-CD2 3.9Å; E640-L677 HydrophobicContact CB-CG 4.44Å; L674-L677 HydrophobicContact CD2-CD1 3.81Å; L674-L677 PolarHBondContact O-N 3.39Å; L677-P848 WeakPolarHBondContact O-CG 3.4Å
678	S	90.9	Very high	94.4	Very high	43 Å²	43	64.4 Å²	64.4	30%	0.301	33%	0.33	S	S	.	.	S	Bend	trans	54.9	49.8	-178.8	-61.9	0	0	0	0	113.6	E640	E640-S678 PolarHBondContact OE2-OG 3.05Å
679	P	93.3	Very high	94.2	Very high	26 Å²	26	66.3 Å²	66.3	17%	0.169	34%	0.342	C	S	.	.			trans	-67.3	151.2	-176.8	33.8	-38.7	0	0	0	111.9	E645 R676 P848 S850	E645-P679 HydrophobicContact CG-CG 4.44Å; E645-P679 WeakPolarHBondContact OE1-CG 3.49Å; R676-P679 WeakPolarHBondContact O-CD 3.32Å; P679-P848 CarbonylContact C-O 3.49Å; P679-P848 WeakPolarHBondContact CA-O 3.35Å; P679-P848 HydrophobicContact CB-CB 4.33Å; P679-S850 WeakPolarHBondContact CB-OG 3.36Å; P679-S850 VanDerWaalsContact CG-OG 3.3Å; P679-S850 WeakPolarHBondContact CG-OG 3.43Å
680	R	93.9	Very high	93.9	Very high	141 Å²	141	67.5 Å²	67.5	53%	0.532	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-111.1	148.8	178.2	-56.2	-172.1	-169.8	168.5	2.1	111.4	Y847 P848 V849 S850	R680-Y847 HydrophobicContact CB-CD2 3.81Å; R680-Y847 HydrophobicContact CB-CE2 3.83Å; R680-Y847 HydrophobicContact CG-CD2 3.8Å; R680-Y847 HydrophobicContact CG-CE2 4.18Å; R680-Y847 HydrophobicContact CG-CG 4.34Å; R680-P848 PolarHBondContact N-O 3.39Å; R680-V849 VanDerWaalsContact O-CA 3.29Å; R680-V849 WeakPolarHBondContact O-CA 3.47Å; R680-V849 WeakPolarHBondContact O-CG1 3.34Å; R680-S850 PolarHBondContact O-N 3.14Å
681	K	91.7	Very high	93.5	Very high	135 Å²	135	69.8 Å²	69.8	59%	0.587	36%	0.357	S	S	*	.			trans	-81.8	148.4	167.7	-55.9	-169.4	-169.3	-166.3	0	110.1	E851	K681-E851 HydrophobicContact CD-CB 4.44Å; K681-E851 VanDerWaalsContact CE-CD 3.4Å; K681-E851 VanDerWaalsContact CE-OE1 3.31Å; K681-E851 WeakPolarHBondContact CE-OE1 3.42Å; K681-E851 VanDerWaalsContact CE-OE2 3.25Å; K681-E851 WeakPolarHBondContact CE-OE2 3.47Å; K681-E851 IonicContact NZ-OE1 3.81Å; K681-E851 PolarHBondContact NZ-OE1 2.82Å; K681-E851 VanDerWaalsContact NZ-OE1 3.12Å; K681-E851 IonicContact NZ-OE2 3.78Å; K681-E851 PolarHBondContact NZ-OE2 3.16Å
682	L	93.4	Very high	93.1	Very high	40 Å²	40	64 Å²	64	21%	0.209	34%	0.339	C	S	.	.			trans	-104.6	144	172.1	-62.3	177.3	0	0	0	110.8	L814 W839 Y847 V849 I852	L682-L814 HydrophobicContact CD1-CD1 4.25Å; L682-W839 HydrophobicContact CD1-CD2 4.25Å; L682-W839 HydrophobicContact CD1-CE3 3.43Å; L682-W839 VanDerWaalsContact CD1-CE3 3.43Å; L682-W839 HydrophobicContact CD1-CZ3 3.73Å; L682-W839 HydrophobicContact CD2-CD2 4.06Å; L682-W839 HydrophobicContact CD2-CE3 4.08Å; L682-W839 HydrophobicContact CD2-CG 4.31Å; L682-W839 HydrophobicContact CG-CE3 4.43Å; L682-Y847 HydrophobicContact CD2-CE2 4.24Å; L682-V849 HydrophobicContact CD1-CG1 3.76Å; L682-V849 HydrophobicContact CD1-CG2 4.08Å; L682-V849 HydrophobicContact CD2-CG2 4.17Å; L682-V849 HydrophobicContact CG-CG1 3.73Å; L682-V849 HydrophobicContact CG-CG2 4.04Å; L682-I852 HydrophobicContact CB-CG2 4.11Å; L682-I852 HydrophobicContact CG-CG2 4.41Å
683	S	92.8	Very high	92.6	Very high	88 Å²	88	66.8 Å²	66.8	62%	0.615	36%	0.357	S	S	*	.			trans	-68.6	146.5	164.7	57.4	0	0	0	0	110.2	M685	S683-M685 VanDerWaalsContact O-CE 3.28Å; S683-M685 WeakPolarHBondContact O-CE 3.49Å; S683-M685 PolarHBondContact O-N 3.41Å
684	T	93.6	Very high	91.9	Very high	152 Å²	152	70.4 Å²	70.4	93%	0.933	38%	0.375	S	S	*	.	S	Bend	trans	-55	126.3	176.3	-53.4	0	0	0	0	111.8
685	M	94.3	Very high	91.4	Very high	92 Å²	92	69.7 Å²	69.7	45%	0.453	37%	0.372	S	S	.	.			trans	-154.3	173.9	179.9	67.2	-178.8	81.1	0	0	111.8	S683 A687 W839	S683-M685 VanDerWaalsContact O-CE 3.28Å; S683-M685 WeakPolarHBondContact O-CE 3.49Å; S683-M685 PolarHBondContact O-N 3.41Å; M685-A687 HydrophobicContact CG-CB 4.39Å; M685-A687 HydrophobicContact SD-CB 4.42Å; M685-W839 HydrophobicContact CE-CH2 4.19Å; M685-W839 HydrophobicContact CE-CZ2 4.48Å; M685-W839 HydrophobicContact SD-CH2 3.41Å; M685-W839 WeakPolarHBondContact SD-CH2 3.48Å; M685-W839 HydrophobicContact SD-CZ2 4.04Å; M685-W839 HydrophobicContact SD-CZ3 4.18Å
686	K	91.2	Very high	91.1	Very high	213 Å²	213	68.1 Å²	68.1	93%	0.926	36%	0.361	S	S	*	.			trans	-101.1	126.3	163.3	-67.9	-174.5	178.7	-175.3	0	108.2
687	A	91.3	Very high	90.7	Very high	38 Å²	38	71.7 Å²	71.7	31%	0.314	39%	0.385	S	S	.	.			trans	-144.2	151.9	178.8	0	0	0	0	0	110	M685 W839	M685-A687 HydrophobicContact CG-CB 4.39Å; M685-A687 HydrophobicContact SD-CB 4.42Å; A687-W839 HydrophobicContact CB-CH2 4.11Å; A687-W839 HydrophobicContact CB-CZ3 4.3Å
688	P	91.8	Very high	90.3	Very high	71 Å²	71	72.4 Å²	72.4	46%	0.461	40%	0.395	S	S	.	.			trans	-57.2	147.1	163.4	-20.4	32.6	0	0	0	111.1	M810 T812 G813 L814	P688-M810 HydrophobicContact CB-CG 3.81Å; P688-M810 HydrophobicContact CB-SD 4.28Å; P688-M810 HydrophobicContact CG-CG 4.39Å; P688-T812 WeakPolarHBondContact CD-O 3.24Å; P688-G813 WeakPolarHBondContact O-CA 3.24Å; P688-L814 PolarHBondContact O-N 3.32Å
689	V	91.3	Very high	90.1	Very high	57 Å²	57	70.8 Å²	70.8	35%	0.345	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.9	-179.7	-177.1	0	0	0	0	109.7	F691 L814 V816	V689-F691 HydrophobicContact CB-CE2 4.47Å; V689-F691 HydrophobicContact CG1-CD2 4.23Å; V689-F691 HydrophobicContact CG1-CE2 3.87Å; V689-F691 HydrophobicContact CG1-CZ 4.12Å; V689-L814 CarbonylContact C-O 3.52Å; V689-L814 VanDerWaalsContact CA-O 3.28Å; V689-L814 WeakPolarHBondContact CA-O 3.4Å; V689-L814 HydrophobicContact CG2-CB 4.46Å; V689-V816 HydrophobicContact CG1-CB 4.46Å; V689-V816 HydrophobicContact CG1-CG2 3.54Å
690	I	91.9	Very high	89.9	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.128	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.2	168.3	-68.4	171.9	0	0	0	107.5	F803 M806 L807 M810 L814 V815 V816	I690-F803 HydrophobicContact CG2-CE2 4.42Å; I690-M806 HydrophobicContact CD1-CB 3.92Å; I690-M806 HydrophobicContact CG2-CE 4Å; I690-L807 HydrophobicContact CD1-CD2 3.98Å; I690-M810 HydrophobicContact CD1-CB 4Å; I690-M810 HydrophobicContact CD1-CE 3.92Å; I690-M810 HydrophobicContact CD1-CG 4.44Å; I690-M810 HydrophobicContact CD1-SD 3.71Å; I690-M810 HydrophobicContact CG1-SD 3.85Å; I690-L814 PolarHBondContact N-O 3.46Å; I690-V815 HydrophobicContact CB-CG2 4.28Å; I690-V815 CarbonylContact O-C 3.59Å; I690-V815 VanDerWaalsContact O-CA 3.29Å; I690-V815 WeakPolarHBondContact O-CA 3.11Å; I690-V816 PolarHBondContact O-N 2.87Å
691	F	90.4	Very high	89.8	Confident	49 Å²	49	66 Å²	66	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	171.2	-66.9	-95.8	0	0	0	108.8	V689 V695 A696 L699 V816 L819 I854	V689-F691 HydrophobicContact CB-CE2 4.47Å; V689-F691 HydrophobicContact CG1-CD2 4.23Å; V689-F691 HydrophobicContact CG1-CE2 3.87Å; V689-F691 HydrophobicContact CG1-CZ 4.12Å; F691-V695 HydrophobicContact CD1-CG1 4.11Å; F691-A696 HydrophobicContact CB-CB 4.01Å; F691-L699 HydrophobicContact CB-CD1 4.34Å; F691-L699 HydrophobicContact CD1-CD1 3.97Å; F691-L699 HydrophobicContact CD2-CD1 3.67Å; F691-L699 HydrophobicContact CE1-CD1 4.14Å; F691-L699 HydrophobicContact CE1-CD2 4.33Å; F691-L699 HydrophobicContact CE2-CD1 3.86Å; F691-L699 HydrophobicContact CG-CD1 3.72Å; F691-L699 HydrophobicContact CZ-CD1 4.08Å; F691-L699 HydrophobicContact CZ-CD2 4.31Å; F691-V816 HydrophobicContact CD1-CB 4.07Å; F691-V816 HydrophobicContact CD1-CG1 4.14Å; F691-V816 HydrophobicContact CE1-CB 4.4Å; F691-V816 HydrophobicContact CE1-CG1 4.33Å; F691-L819 HydrophobicContact CE1-CD1 4.28Å; F691-I854 HydrophobicContact CE1-CD1 3.6Å; F691-I854 HydrophobicContact CZ-CD1 3.67Å
692	A	88.8	Confident	89.7	Confident	15 Å²	15	62.1 Å²	62.1	12%	0.124	36%	0.359	C	S	.	.			trans	-58.1	147.5	168	0	0	0	0	0	109.8	E694 V695 A696 V816 T817	A692-E694 VanDerWaalsContact C-N 3.28Å; A692-E694 PolarHBondContact O-N 3.08Å; A692-V695 HydrophobicContact CB-CG2 4.49Å; A692-V695 PolarHBondContact O-N 2.79Å; A692-A696 WeakPolarHBondContact O-CB 3.29Å; A692-A696 PolarHBondContact O-N 3.31Å; A692-V816 WeakPolarHBondContact CB-O 3.21Å; A692-V816 PolarHBondContact N-O 3.24Å; A692-T817 HydrophobicContact CB-CG2 4.11Å
693	N	84	Confident	89.6	Confident	109 Å²	109	61.1 Å²	61.1	58%	0.583	35%	0.354	S	S	*	.	H	α-helix	trans	-48.7	-45.6	-177.7	56.1	-11.9	0	0	0	112.7	V695 A696 T697	N693-V695 VanDerWaalsContact C-N 3.28Å; N693-V695 PolarHBondContact O-N 3.05Å; N693-A696 PolarHBondContact O-N 3.25Å; N693-T697 PolarHBondContact O-N 3.37Å
694	E	82.7	Confident	89.7	Confident	77 Å²	77	58.4 Å²	58.4	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-38.4	-179.5	-62.2	101.1	-173	0	0	112.4	R672 A692 T697	R672-E694 IonicContact CZ-OE1 2.73Å; R672-E694 IonicContact NH2-OE1 3.86Å; R672-E694 PolarHBondContact NH2-OE1 2.94Å; R672-E694 IonicContact NH2-OE2 2.77Å; R672-E694 PolarHBondContact NH2-OE2 3.01Å; R672-E694 VanDerWaalsContact NH2-OE2 3.09Å; A692-E694 VanDerWaalsContact C-N 3.28Å; A692-E694 PolarHBondContact O-N 3.08Å; E694-T697 PolarHBondContact O-OG1 2.82Å
695	V	88.1	Confident	89.7	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-81.1	-34.9	-178.7	-174.5	0	0	0	0	111.9	F691 A692 N693 T697 G698 V816 T817 L819	F691-V695 HydrophobicContact CD1-CG1 4.11Å; A692-V695 HydrophobicContact CB-CG2 4.49Å; A692-V695 PolarHBondContact O-N 2.79Å; N693-V695 VanDerWaalsContact C-N 3.28Å; N693-V695 PolarHBondContact O-N 3.05Å; V695-T697 PolarHBondContact O-N 3.08Å; V695-G698 PolarHBondContact O-N 3.46Å; V695-V816 HydrophobicContact CG1-CG1 4.23Å; V695-T817 WeakPolarHBondContact CG2-O 3.45Å; V695-L819 HydrophobicContact CG1-CB 4.3Å; V695-L819 HydrophobicContact CG1-CD1 3.22Å; V695-L819 HydrophobicContact CG1-CG 3.46Å; V695-L819 VanDerWaalsContact CG1-CG 3.46Å
696	A	87.2	Confident	89.7	Confident	9 Å²	9	48.7 Å²	48.7	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-30.7	-179.1	0	0	0	0	0	111.7	F691 A692 N693 G698 L699 F700	F691-A696 HydrophobicContact CB-CB 4.01Å; A692-A696 WeakPolarHBondContact O-CB 3.29Å; A692-A696 PolarHBondContact O-N 3.31Å; N693-A696 PolarHBondContact O-N 3.25Å; A696-G698 PolarHBondContact O-N 3.02Å; A696-G698 VanDerWaalsContact O-N 3.16Å; A696-L699 VanDerWaalsContact O-CB 3.31Å; A696-L699 WeakPolarHBondContact O-CB 3.46Å; A696-L699 PolarHBondContact O-N 3.32Å; A696-F700 VanDerWaalsContact O-CD2 3.29Å; A696-F700 WeakPolarHBondContact O-CD2 3.42Å; A696-F700 PolarHBondContact O-N 2.91Å
697	T	87.9	Confident	89.9	Confident	95 Å²	95	38.5 Å²	38.5	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-53.2	-35.5	173.6	65.3	0	0	0	0	112.9	N693 E694 V695 L699 F700 G701	N693-T697 PolarHBondContact O-N 3.37Å; E694-T697 PolarHBondContact O-OG1 2.82Å; V695-T697 PolarHBondContact O-N 3.08Å; T697-L699 VanDerWaalsContact C-N 3.32Å; T697-L699 PolarHBondContact O-N 2.81Å; T697-F700 PolarHBondContact O-N 2.77Å; T697-G701 PolarHBondContact O-N 2.62Å
698	G	86.5	Confident	90.2	Very high	26 Å²	26	38 Å²	38	27%	0.268	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-33.7	177.8	0	0	0	0	0	113.4	V695 A696 G701 H702	V695-G698 PolarHBondContact O-N 3.46Å; A696-G698 PolarHBondContact O-N 3.02Å; A696-G698 VanDerWaalsContact O-N 3.16Å; G698-G701 PolarHBondContact O-N 3.04Å; G698-H702 PolarHBondContact O-CD2 3.02Å; G698-H702 PolarHBondContact O-N 3.43Å; G698-H702 VanDerWaalsContact O-N 3.14Å
699	L	85.8	Confident	90.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-45	175.7	-64	172.1	0	0	0	111.1	F691 A696 T697 G701 H702 L703 Y831 L859 F861	F691-L699 HydrophobicContact CB-CD1 4.34Å; F691-L699 HydrophobicContact CD1-CD1 3.97Å; F691-L699 HydrophobicContact CD2-CD1 3.67Å; F691-L699 HydrophobicContact CE1-CD1 4.14Å; F691-L699 HydrophobicContact CE1-CD2 4.33Å; F691-L699 HydrophobicContact CE2-CD1 3.86Å; F691-L699 HydrophobicContact CG-CD1 3.72Å; F691-L699 HydrophobicContact CZ-CD1 4.08Å; F691-L699 HydrophobicContact CZ-CD2 4.31Å; A696-L699 VanDerWaalsContact O-CB 3.31Å; A696-L699 WeakPolarHBondContact O-CB 3.46Å; A696-L699 PolarHBondContact O-N 3.32Å; T697-L699 VanDerWaalsContact C-N 3.32Å; T697-L699 PolarHBondContact O-N 2.81Å; L699-G701 VanDerWaalsContact C-N 3.32Å; L699-H702 WeakPolarHBondContact O-CB 3.48Å; L699-H702 PolarHBondContact O-N 3.13Å; L699-L703 PolarHBondContact O-N 3.01Å; L699-Y831 HydrophobicContact CD2-CE1 4.48Å; L699-Y831 HydrophobicContact CD2-CE2 3.77Å; L699-L859 HydrophobicContact CD2-CD2 3.91Å; L699-F861 HydrophobicContact CB-CE2 4.48Å; L699-F861 HydrophobicContact CB-CZ 3.83Å; L699-F861 HydrophobicContact CD1-CE1 3.88Å; L699-F861 HydrophobicContact CD1-CZ 3.75Å; L699-F861 HydrophobicContact CD2-CZ 4.02Å; L699-F861 HydrophobicContact CG-CZ 4.07Å
700	F	89.3	Confident	90.8	Very high	26 Å²	26	33.2 Å²	33.2	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-68.4	-32.2	174.5	-62.1	-69.6	0	0	0	112.2	A696 T697 H702 L703 V704 I734 I796 F866	A696-F700 VanDerWaalsContact O-CD2 3.29Å; A696-F700 WeakPolarHBondContact O-CD2 3.42Å; A696-F700 PolarHBondContact O-N 2.91Å; T697-F700 PolarHBondContact O-N 2.77Å; F700-H702 VanDerWaalsContact C-N 3.25Å; F700-H702 PolarHBondContact O-N 3.06Å; F700-L703 HydrophobicContact CD1-CD2 4.48Å; F700-L703 WeakPolarHBondContact O-CA 3.38Å; F700-L703 WeakPolarHBondContact O-CB 3.35Å; F700-L703 PolarHBondContact O-N 3.32Å; F700-V704 WeakPolarHBondContact O-CG2 3.43Å; F700-V704 PolarHBondContact O-N 2.84Å; F700-I734 HydrophobicContact CD1-CD1 3.75Å; F700-I734 HydrophobicContact CE1-CD1 3.8Å; F700-I796 HydrophobicContact CD1-CD1 3.7Å; F700-I796 HydrophobicContact CD2-CD1 3.82Å; F700-I796 HydrophobicContact CE1-CD1 3.3Å; F700-I796 HydrophobicContact CE2-CD1 3.42Å; F700-I796 VanDerWaalsContact CE2-CD1 3.42Å; F700-I796 HydrophobicContact CG-CD1 3.93Å; F700-I796 HydrophobicContact CZ-CD1 3.12Å; F700-F866 HydrophobicContact CE1-CZ 4.49Å; F700-F866 HydrophobicContact CE2-CE1 4.22Å; F700-F866 HydrophobicContact CE2-CZ 4.11Å; F700-F866 HydrophobicContact CZ-CE1 4.02Å; F700-F866 HydrophobicContact CZ-CE2 4.08Å; F700-F866 AromaticContact CZ-CZ 3.46Å; F700-F866 HydrophobicContact CZ-CZ 3.46Å; F700-F866 VanDerWaalsContact CZ-CZ 3.46Å
701	G	91	Very high	91	Very high	41 Å²	41	33.3 Å²	33.3	42%	0.423	22%	0.216	S	C	.	.	H	α-helix	trans	-56.1	-38.9	170.1	0	0	0	0	0	113	T697 G698 L699 V704 G705	T697-G701 PolarHBondContact O-N 2.62Å; G698-G701 PolarHBondContact O-N 3.04Å; L699-G701 VanDerWaalsContact C-N 3.32Å; G701-V704 PolarHBondContact O-N 3.22Å; G701-G705 PolarHBondContact O-N 3.46Å; G701-G705 VanDerWaalsContact O-N 3.16Å
702	H	89.9	Confident	91.3	Very high	53 Å²	53	31.2 Å²	31.2	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-37.7	173.7	-61.2	-55.4	0	0	0	112.6	G698 L699 F700 G705 A706 V824 Y831 L859	G698-H702 PolarHBondContact O-CD2 3.02Å; G698-H702 PolarHBondContact O-N 3.43Å; G698-H702 VanDerWaalsContact O-N 3.14Å; L699-H702 WeakPolarHBondContact O-CB 3.48Å; L699-H702 PolarHBondContact O-N 3.13Å; F700-H702 VanDerWaalsContact C-N 3.25Å; F700-H702 PolarHBondContact O-N 3.06Å; H702-G705 PolarHBondContact O-N 3.33Å; H702-A706 WeakPolarHBondContact O-CB 3.25Å; H702-A706 PolarHBondContact O-N 2.87Å; H702-V824 HydrophobicContact CB-CG1 4.45Å; H702-Y831 AromaticContact CD2-CE2 3.71Å; H702-Y831 AromaticContact NE2-CE2 3.77Å; H702-L859 HydrophobicContact CB-CD1 3.84Å
703	L	92.4	Very high	91.6	Very high	18 Å²	18	33.3 Å²	33.3	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-49.3	172.7	177.3	62.6	0	0	0	110.7	L699 F700 G705 A706 I707 L719 I727 L728 I734 I762 W794	L699-L703 PolarHBondContact O-N 3.01Å; F700-L703 HydrophobicContact CD1-CD2 4.48Å; F700-L703 WeakPolarHBondContact O-CA 3.38Å; F700-L703 WeakPolarHBondContact O-CB 3.35Å; F700-L703 PolarHBondContact O-N 3.32Å; L703-G705 VanDerWaalsContact C-N 3.29Å; L703-G705 PolarHBondContact O-N 3.07Å; L703-A706 WeakPolarHBondContact O-CA 3.21Å; L703-A706 WeakPolarHBondContact O-CB 3.46Å; L703-A706 PolarHBondContact O-N 2.77Å; L703-I707 HydrophobicContact CD1-CG2 3.84Å; L703-I707 WeakPolarHBondContact O-CG1 3.39Å; L703-I707 PolarHBondContact O-N 2.79Å; L703-L719 HydrophobicContact CD1-CD1 3.78Å; L703-I727 HydrophobicContact CD1-CD1 3.9Å; L703-L728 HydrophobicContact CD2-CD1 4.17Å; L703-I734 HydrophobicContact CD2-CD1 3.76Å; L703-I762 HydrophobicContact CD2-CD1 4.43Å; L703-I762 HydrophobicContact CD2-CG1 4.31Å; L703-W794 HydrophobicContact CD2-CZ3 4.3Å
704	V	95.2	Very high	92.2	Very high	31 Å²	31	36.1 Å²	36.1	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-50.8	-49.6	176.3	172.5	0	0	0	0	110.7	F700 G701 A706 I707 A708 L771 I791 W794	F700-V704 WeakPolarHBondContact O-CG2 3.43Å; F700-V704 PolarHBondContact O-N 2.84Å; G701-V704 PolarHBondContact O-N 3.22Å; V704-A706 VanDerWaalsContact C-N 3.35Å; V704-A706 PolarHBondContact O-N 2.78Å; V704-I707 PolarHBondContact O-N 2.86Å; V704-A708 WeakPolarHBondContact O-CB 3.24Å; V704-A708 PolarHBondContact O-N 2.97Å; V704-L771 HydrophobicContact CB-CD1 4.35Å; V704-L771 HydrophobicContact CG1-CD1 3.83Å; V704-I791 HydrophobicContact CG1-CG2 3.91Å; V704-I791 HydrophobicContact CG2-CD1 3.86Å; V704-I791 HydrophobicContact CG2-CG1 4.48Å; V704-I791 HydrophobicContact CG2-CG2 4.03Å; V704-W794 HydrophobicContact CB-CH2 4.45Å; V704-W794 HydrophobicContact CG2-CE3 4.13Å; V704-W794 HydrophobicContact CG2-CH2 3.44Å; V704-W794 VanDerWaalsContact CG2-CH2 3.44Å; V704-W794 HydrophobicContact CG2-CZ2 3.99Å; V704-W794 HydrophobicContact CG2-CZ3 3.52Å
705	G	93.5	Very high	92.7	Very high	35 Å²	35	40.1 Å²	40.1	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-37.3	177.4	0	0	0	0	0	113.7	G701 H702 L703 S711	G701-G705 PolarHBondContact O-N 3.46Å; G701-G705 VanDerWaalsContact O-N 3.16Å; H702-G705 PolarHBondContact O-N 3.33Å; L703-G705 VanDerWaalsContact C-N 3.29Å; L703-G705 PolarHBondContact O-N 3.07Å; G705-S711 WeakPolarHBondContact O-CB 3.49Å; G705-S711 PolarHBondContact O-OG 2.92Å
706	A	93.3	Very high	93	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-33	179.8	0	0	0	0	0	113	H702 L703 V704 T717 F718 L719	H702-A706 WeakPolarHBondContact O-CB 3.25Å; H702-A706 PolarHBondContact O-N 2.87Å; L703-A706 WeakPolarHBondContact O-CA 3.21Å; L703-A706 WeakPolarHBondContact O-CB 3.46Å; L703-A706 PolarHBondContact O-N 2.77Å; V704-A706 VanDerWaalsContact C-N 3.35Å; V704-A706 PolarHBondContact O-N 2.78Å; A706-T717 VanDerWaalsContact O-CB 3.23Å; A706-T717 WeakPolarHBondContact O-CB 3.33Å; A706-T717 PolarHBondContact O-OG1 3.04Å; A706-F718 HydrophobicContact CB-CD1 4.29Å; A706-F718 HydrophobicContact CB-CE1 3.61Å; A706-F718 HydrophobicContact CB-CZ 4.06Å; A706-L719 HydrophobicContact CB-CD1 3.83Å; A706-L719 HydrophobicContact CB-CG 4.3Å
707	I	96.3	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-99	1.8	179.6	68.5	159.7	0	0	0	113.6	L703 V704 G709 L719 I761 L767 W770 L771 W794	L703-I707 HydrophobicContact CD1-CG2 3.84Å; L703-I707 WeakPolarHBondContact O-CG1 3.39Å; L703-I707 PolarHBondContact O-N 2.79Å; V704-I707 PolarHBondContact O-N 2.86Å; I707-G709 PolarHBondContact O-N 3.01Å; I707-L719 HydrophobicContact CG2-CD1 3.71Å; I707-I761 HydrophobicContact CD1-CG2 3.58Å; I707-L767 HydrophobicContact CB-CD1 4.43Å; I707-L767 HydrophobicContact CD1-CD1 4.02Å; I707-L767 HydrophobicContact CG2-CD1 3.89Å; I707-L767 HydrophobicContact CG2-CD2 3.82Å; I707-W770 HydrophobicContact CB-CE3 3.97Å; I707-W770 HydrophobicContact CB-CZ3 4.19Å; I707-W770 HydrophobicContact CG2-CE3 4.39Å; I707-W770 HydrophobicContact CG2-CZ3 4.13Å; I707-L771 HydrophobicContact CD1-CD1 3.85Å; I707-L771 HydrophobicContact CD1-CD2 3.82Å; I707-L771 HydrophobicContact CD1-CG 3.64Å; I707-L771 HydrophobicContact CG1-CD1 3.72Å; I707-L771 HydrophobicContact CG1-CD2 4.47Å; I707-L771 HydrophobicContact CG1-CG 3.74Å; I707-L771 PolarHBondContact O-N 2.89Å; I707-W794 HydrophobicContact CD1-CH2 4.01Å; I707-W794 HydrophobicContact CD1-CZ2 4.47Å
708	A	97.9	Very high	93.1	Very high	28 Å²	28	39.1 Å²	39.1	23%	0.231	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-64.2	131.9	173.4	0	0	0	0	0	111	V704 G710 S711 V712	V704-A708 WeakPolarHBondContact O-CB 3.24Å; V704-A708 PolarHBondContact O-N 2.97Å; A708-G710 PolarHBondContact O-N 3.48Å; A708-S711 WeakPolarHBondContact O-CB 3.41Å; A708-S711 PolarHBondContact O-N 3.49Å; A708-V712 WeakPolarHBondContact O-CG2 3.49Å; A708-V712 PolarHBondContact O-N 3.19Å; A708-V712 VanDerWaalsContact O-N 3.13Å
709	G	97.7	Very high	93.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-54.4	-33.1	-177.1	0	0	0	0	0	113.5	I707 V712 Y713 L771	I707-G709 PolarHBondContact O-N 3.01Å; G709-V712 PolarHBondContact O-N 2.99Å; G709-Y713 VanDerWaalsContact O-CD1 3.26Å; G709-Y713 WeakPolarHBondContact O-CD1 3.48Å; G709-Y713 PolarHBondContact O-N 3.49Å; G709-L771 PolarHBondContact N-O 3.4Å
710	G	96.5	Very high	93.5	Very high	25 Å²	25	40.2 Å²	40.2	26%	0.258	22%	0.221	S	C	.	.	H	α-helix	trans	-58.9	-42.8	173.7	0	0	0	0	0	113.8	A708 R714	A708-G710 PolarHBondContact O-N 3.48Å; G710-R714 WeakPolarHBondContact O-CB 3.37Å; G710-R714 WeakPolarHBondContact O-CD 3.37Å; G710-R714 VanDerWaalsContact O-CG 3.23Å; G710-R714 WeakPolarHBondContact O-CG 3.23Å; G710-R714 PolarHBondContact O-N 3.48Å
711	S	96.2	Very high	93.4	Very high	27 Å²	27	44.7 Å²	44.7	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-70.9	-39.2	176.6	-54.2	0	0	0	0	111.3	G705 A708 K715 S716	G705-S711 WeakPolarHBondContact O-CB 3.49Å; G705-S711 PolarHBondContact O-OG 2.92Å; A708-S711 WeakPolarHBondContact O-CB 3.41Å; A708-S711 PolarHBondContact O-N 3.49Å; S711-K715 PolarHBondContact O-N 3.11Å; S711-K715 VanDerWaalsContact O-N 3.1Å; S711-S716 WeakPolarHBondContact CA-OG 3.31Å; S711-S716 PolarHBondContact O-N 3.48Å; S711-S716 PolarHBondContact O-OG 3.43Å
712	V	96.4	Very high	93.6	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-54.5	-178.7	-179.9	0	0	0	0	111.3	A708 G709 R714 K715 T717 L720 W770 L780	A708-V712 WeakPolarHBondContact O-CG2 3.49Å; A708-V712 PolarHBondContact O-N 3.19Å; A708-V712 VanDerWaalsContact O-N 3.13Å; G709-V712 PolarHBondContact O-N 2.99Å; V712-R714 VanDerWaalsContact C-N 3.26Å; V712-R714 PolarHBondContact O-N 3.38Å; V712-K715 PolarHBondContact O-N 2.82Å; V712-T717 HydrophobicContact CG2-CG2 4.18Å; V712-L720 HydrophobicContact CG1-CD1 4.03Å; V712-L720 WeakPolarHBondContact O-CD1 3.4Å; V712-W770 HydrophobicContact CG1-CD2 4.34Å; V712-W770 HydrophobicContact CG1-CZ2 4.23Å; V712-W770 HydrophobicContact CG2-CD2 3.85Å; V712-W770 HydrophobicContact CG2-CE3 3.63Å; V712-W770 HydrophobicContact CG2-CG 4.44Å; V712-W770 HydrophobicContact CG2-CH2 4.36Å; V712-W770 HydrophobicContact CG2-CZ2 4.49Å; V712-W770 HydrophobicContact CG2-CZ3 3.89Å; V712-L780 HydrophobicContact CB-CD1 4.21Å; V712-L780 HydrophobicContact CG1-CD1 3.94Å; V712-L780 HydrophobicContact CG1-CD2 3.99Å
713	Y	96.2	Very high	93.9	Very high	59 Å²	59	44.8 Å²	44.8	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-29.2	-176.5	89.8	-103.6	0	0	0	112.7	G709 Y775 K779	G709-Y713 VanDerWaalsContact O-CD1 3.26Å; G709-Y713 WeakPolarHBondContact O-CD1 3.48Å; G709-Y713 PolarHBondContact O-N 3.49Å; Y713-Y775 HydrophobicContact CE1-CD1 4.43Å; Y713-Y775 HydrophobicContact CE1-CE1 4.2Å; Y713-Y775 AromaticContact CZ-CE1 3.99Å; Y713-K779 HydrophobicContact CD1-CB 4.28Å; Y713-K779 HydrophobicContact CD1-CG 4.46Å; Y713-K779 HydrophobicContact CD2-CB 4.09Å; Y713-K779 HydrophobicContact CD2-CD 4.41Å; Y713-K779 HydrophobicContact CD2-CG 4.08Å; Y713-K779 HydrophobicContact CE2-CG 4.31Å; Y713-K779 HydrophobicContact CG-CB 3.84Å; Y713-K779 HydrophobicContact CG-CG 4.2Å
714	R	96.6	Very high	94.1	Very high	168 Å²	168	46.5 Å²	46.5	63%	0.634	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.6	174.2	-66.7	178.3	-175.7	158.2	0.1	113.1	G710 V712 S716	G710-R714 WeakPolarHBondContact O-CB 3.37Å; G710-R714 WeakPolarHBondContact O-CD 3.37Å; G710-R714 VanDerWaalsContact O-CG 3.23Å; G710-R714 WeakPolarHBondContact O-CG 3.23Å; G710-R714 PolarHBondContact O-N 3.48Å; V712-R714 VanDerWaalsContact C-N 3.26Å; V712-R714 PolarHBondContact O-N 3.38Å; R714-S716 PolarHBondContact O-N 2.83Å
715	K	93.4	Very high	94	Very high	160 Å²	160	50.7 Å²	50.7	70%	0.696	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	36.9	-176.5	-52	-175	178.8	-174.6	0	112.6	S711 V712 L720	S711-K715 PolarHBondContact O-N 3.11Å; S711-K715 VanDerWaalsContact O-N 3.1Å; V712-K715 PolarHBondContact O-N 2.82Å; K715-L720 HydrophobicContact CB-CD1 4.46Å; K715-L720 HydrophobicContact CB-CD2 3.84Å; K715-L720 HydrophobicContact CD-CD2 4.17Å; K715-L720 HydrophobicContact CG-CD1 4.22Å; K715-L720 HydrophobicContact CG-CD2 3.83Å
716	S	92.9	Very high	93.9	Very high	44 Å²	44	54.6 Å²	54.6	31%	0.308	29%	0.287	S	S	.	.			trans	-109.3	37.1	-178.7	68.3	0	0	0	0	111.8	S711 R714	S711-S716 WeakPolarHBondContact CA-OG 3.31Å; S711-S716 PolarHBondContact O-N 3.48Å; S711-S716 PolarHBondContact O-OG 3.43Å; R714-S716 PolarHBondContact O-N 2.83Å
717	T	92	Very high	93.8	Very high	9 Å²	9	54.9 Å²	54.9	6%	0.055	29%	0.287	C	S	.	.			trans	-138	139.6	179.3	175	0	0	0	0	110.4	A706 V712 L719 L720 A826	A706-T717 VanDerWaalsContact O-CB 3.23Å; A706-T717 WeakPolarHBondContact O-CB 3.33Å; A706-T717 PolarHBondContact O-OG1 3.04Å; V712-T717 HydrophobicContact CG2-CG2 4.18Å; T717-L719 PolarHBondContact O-N 3.36Å; T717-L719 PolarHBondContact OG1-N 3.18Å; T717-L719 VanDerWaalsContact OG1-N 3.1Å; T717-L720 HydrophobicContact CG2-CB 4.17Å; T717-L720 HydrophobicContact CG2-CD1 4.37Å; T717-L720 PolarHBondContact O-N 2.98Å; T717-A826 CarbonylContact C-O 3.56Å; T717-A826 VanDerWaalsContact CA-O 3.24Å; T717-A826 WeakPolarHBondContact CA-O 3.46Å
718	F	85.5	Confident	93.5	Very high	49 Å²	49	55.3 Å²	55.3	22%	0.215	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12	171.8	68.3	-85.7	0	0	0	113.2	A706 A826 I827 L859 V860	A706-F718 HydrophobicContact CB-CD1 4.29Å; A706-F718 HydrophobicContact CB-CE1 3.61Å; A706-F718 HydrophobicContact CB-CZ 4.06Å; F718-A826 WeakPolarHBondContact CD1-O 3.45Å; F718-A826 PolarHBondContact N-O 3.25Å; F718-I827 WeakPolarHBondContact CA-O 3.38Å; F718-I827 WeakPolarHBondContact CB-O 3.36Å; F718-L859 HydrophobicContact CZ-CB 4.23Å; F718-V860 HydrophobicContact CE2-CG2 4.46Å
719	L	92.3	Very high	93	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	14.1	179.8	-64.5	-179.5	0	0	0	113.6	L703 A706 I707 T717 D721 S722 I727 W770	L703-L719 HydrophobicContact CD1-CD1 3.78Å; A706-L719 HydrophobicContact CB-CD1 3.83Å; A706-L719 HydrophobicContact CB-CG 4.3Å; I707-L719 HydrophobicContact CG2-CD1 3.71Å; T717-L719 PolarHBondContact O-N 3.36Å; T717-L719 PolarHBondContact OG1-N 3.18Å; T717-L719 VanDerWaalsContact OG1-N 3.1Å; L719-D721 PolarHBondContact O-N 2.99Å; L719-S722 VanDerWaalsContact O-CB 3.25Å; L719-S722 WeakPolarHBondContact O-CB 3.18Å; L719-S722 PolarHBondContact O-N 3.05Å; L719-S722 PolarHBondContact O-OG 3.33Å; L719-I727 HydrophobicContact CD1-CD1 4.06Å; L719-I727 HydrophobicContact CD2-CG2 4.11Å; L719-W770 VanDerWaalsContact O-CH2 3.25Å; L719-W770 WeakPolarHBondContact O-CH2 3.48Å
720	L	89.1	Confident	92.6	Very high	53 Å²	53	59.5 Å²	59.5	28%	0.277	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-41.7	-169.5	-176.4	61.4	0	0	0	114.4	V712 K715 T717	V712-L720 HydrophobicContact CG1-CD1 4.03Å; V712-L720 WeakPolarHBondContact O-CD1 3.4Å; K715-L720 HydrophobicContact CB-CD1 4.46Å; K715-L720 HydrophobicContact CB-CD2 3.84Å; K715-L720 HydrophobicContact CD-CD2 4.17Å; K715-L720 HydrophobicContact CG-CD1 4.22Å; K715-L720 HydrophobicContact CG-CD2 3.83Å; T717-L720 HydrophobicContact CG2-CB 4.17Å; T717-L720 HydrophobicContact CG2-CD1 4.37Å; T717-L720 PolarHBondContact O-N 2.98Å
721	D	88.1	Confident	92.1	Very high	120 Å²	120	61.6 Å²	61.6	64%	0.642	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	21.8	-177.4	-59	-52.2	0	0	0	112.8	L719 K725	L719-D721 PolarHBondContact O-N 2.99Å; D721-K725 WeakPolarHBondContact O-CD 3.42Å; D721-K725 WeakPolarHBondContact O-CE 3.28Å; D721-K725 PolarHBondContact O-NZ 2.86Å
722	S	94	Very high	91.8	Very high	20 Å²	20	60.4 Å²	60.4	14%	0.14	30%	0.3	C	S	.	.			trans	-96.3	-2.8	-170.2	-60.8	0	0	0	0	115.3	L719 G724 K725	L719-S722 VanDerWaalsContact O-CB 3.25Å; L719-S722 WeakPolarHBondContact O-CB 3.18Å; L719-S722 PolarHBondContact O-N 3.05Å; L719-S722 PolarHBondContact O-OG 3.33Å; S722-G724 PolarHBondContact O-N 3.2Å; S722-K725 WeakPolarHBondContact O-CB 3.49Å; S722-K725 PolarHBondContact O-N 2.93Å
723	L	96.4	Very high	91.6	Very high	76 Å²	76	61.7 Å²	61.7	40%	0.398	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	129.3	175	-171.9	67.1	0	0	0	110.6	K725 L767 T768 Q769 W770	L723-K725 PolarHBondContact O-N 2.85Å; L723-L767 HydrophobicContact CD1-CG 4.35Å; L723-T768 VanDerWaalsContact CD1-C 3.47Å; L723-T768 WeakPolarHBondContact CD1-O 3.38Å; L723-Q769 VanDerWaalsContact CD1-CA 3.47Å; L723-W770 HydrophobicContact CB-CH2 4.13Å; L723-W770 HydrophobicContact CB-CZ2 3.54Å; L723-W770 HydrophobicContact CG-CZ2 4.48Å
724	G	96.1	Very high	91.6	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	7	-175.5	0	0	0	0	0	114.4	S722 L767	S722-G724 PolarHBondContact O-N 3.2Å; G724-L767 WeakPolarHBondContact CA-O 3.32Å; G724-L767 PolarHBondContact N-O 3.16Å
725	K	94.2	Very high	91.6	Very high	118 Å²	118	53.4 Å²	53.4	51%	0.513	28%	0.279	S	S	.	.	S	Bend	trans	-105.8	152.7	176.1	-58.7	-173.5	-176.7	157.8	0	111	D721 S722 L723 I727 I766 L767	D721-K725 WeakPolarHBondContact O-CD 3.42Å; D721-K725 WeakPolarHBondContact O-CE 3.28Å; D721-K725 PolarHBondContact O-NZ 2.86Å; S722-K725 WeakPolarHBondContact O-CB 3.49Å; S722-K725 PolarHBondContact O-N 2.93Å; L723-K725 PolarHBondContact O-N 2.85Å; K725-I727 PolarHBondContact O-N 3.37Å; K725-I766 WeakPolarHBondContact O-CA 3.47Å; K725-L767 PolarHBondContact O-N 3.22Å
726	Q	91.9	Very high	91.8	Very high	118 Å²	118	45.9 Å²	45.9	55%	0.551	25%	0.246	S	C	*	.	B	Isolated β-bridge	trans	-70.5	118.1	170.9	-168.1	171.1	21.4	0	0	109.7	L728 G765 I766	Q726-L728 VanDerWaalsContact CG-O 3.23Å; Q726-L728 WeakPolarHBondContact CG-O 3.14Å; Q726-G765 WeakPolarHBondContact CA-O 3.39Å; Q726-I766 HydrophobicContact CB-CG1 4.29Å
727	I	89.6	Confident	92	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.051	24%	0.235	C	C	.	.			trans	-122.8	-10.5	179.4	61.6	157.9	0	0	0	112.8	L703 L719 K725 I762 G765 L767 V860	L703-I727 HydrophobicContact CD1-CD1 3.9Å; L719-I727 HydrophobicContact CD1-CD1 4.06Å; L719-I727 HydrophobicContact CD2-CG2 4.11Å; K725-I727 PolarHBondContact O-N 3.37Å; I727-I762 HydrophobicContact CD1-CD1 3.81Å; I727-I762 HydrophobicContact CG1-CD1 4.2Å; I727-G765 PolarHBondContact N-O 3.08Å; I727-L767 HydrophobicContact CD1-CB 3.86Å; I727-L767 HydrophobicContact CD1-CD1 4.44Å; I727-L767 HydrophobicContact CD1-CD2 4.35Å; I727-L767 HydrophobicContact CD1-CG 4.45Å; I727-L767 HydrophobicContact CG1-CB 4.05Å; I727-V860 WeakPolarHBondContact O-CG1 3.33Å
728	L	90.1	Very high	92.3	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.047	23%	0.233	C	C	.	.	S	Bend	trans	-133.7	167.7	176.7	-68.3	179.5	0	0	0	108.6	L703 Q726 L732 I734 I762 G765 F861	L703-L728 HydrophobicContact CD2-CD1 4.17Å; Q726-L728 VanDerWaalsContact CG-O 3.23Å; Q726-L728 WeakPolarHBondContact CG-O 3.14Å; L728-L732 HydrophobicContact CB-CD1 4.33Å; L728-L732 HydrophobicContact CB-CD2 4.43Å; L728-L732 HydrophobicContact CD1-CD1 4.15Å; L728-L732 HydrophobicContact CD1-CD2 3.65Å; L728-I734 HydrophobicContact CD1-CD1 4.19Å; L728-I762 HydrophobicContact CB-CG2 4.46Å; L728-I762 HydrophobicContact CD1-CD1 4.42Å; L728-I762 HydrophobicContact CD1-CG1 3.97Å; L728-I762 HydrophobicContact CD1-CG2 4.11Å; L728-G765 PolarHBondContact N-O 2.99Å; L728-G765 VanDerWaalsContact O-CA 3.25Å; L728-G765 WeakPolarHBondContact O-CA 3.48Å; L728-F861 HydrophobicContact CD2-CB 3.88Å; L728-F861 HydrophobicContact CD2-CD2 3.39Å; L728-F861 HydrophobicContact CD2-CE2 4.37Å; L728-F861 HydrophobicContact CD2-CG 4.08Å
729	P	88.1	Confident	92.9	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.071	24%	0.24	C	C	.	.			trans	-59.5	148.3	177.9	-22.6	37.2	0	0	0	111	W731 L732 G765 F861	P729-W731 HydrophobicContact CB-CG 4.32Å; P729-W731 HydrophobicContact CG-CZ2 4.47Å; P729-W731 PolarHBondContact O-N 3.5Å; P729-W731 VanDerWaalsContact O-N 3.15Å; P729-L732 WeakPolarHBondContact O-CB 3.36Å; P729-L732 PolarHBondContact O-N 3.23Å; P729-G765 WeakPolarHBondContact O-CA 3.29Å; P729-G765 PolarHBondContact O-N 3.42Å; P729-F861 WeakPolarHBondContact CD-O 3.47Å; P729-F861 VanDerWaalsContact CG-O 3.27Å; P729-F861 WeakPolarHBondContact CG-O 3.28Å
730	D	88.9	Confident	93	Very high	106 Å²	106	47.9 Å²	47.9	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.4	-176.1	56.5	0.8	0	0	0	114.7	L732 D764	D730-L732 VanDerWaalsContact C-N 3.32Å; D730-D764 WeakPolarHBondContact CA-O 3.01Å; D730-D764 CarbonylContact O-C 3.45Å; D730-D764 VanDerWaalsContact O-C 3.3Å; D730-D764 WeakPolarHBondContact O-CA 3.44Å; D730-D764 WeakPolarHBondContact O-CB 3.29Å
731	W	86.4	Confident	93.3	Very high	69 Å²	69	51 Å²	51	26%	0.261	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-14.5	175.8	66.1	-99.3	0	0	0	113.4	P729 Q799 A864 F866	P729-W731 HydrophobicContact CB-CG 4.32Å; P729-W731 HydrophobicContact CG-CZ2 4.47Å; P729-W731 PolarHBondContact O-N 3.5Å; P729-W731 VanDerWaalsContact O-N 3.15Å; W731-Q799 VanDerWaalsContact CD1-NE2 3.33Å; W731-Q799 HydrophobicContact CD2-CG 3.91Å; W731-Q799 HydrophobicContact CE3-CG 3.47Å; W731-Q799 VanDerWaalsContact CE3-CG 3.47Å; W731-Q799 HydrophobicContact CH2-CG 4.24Å; W731-Q799 HydrophobicContact CZ3-CG 3.63Å; W731-A864 VanDerWaalsContact CE2-O 3.24Å; W731-A864 HydrophobicContact CZ2-CB 4.06Å; W731-A864 WeakPolarHBondContact CZ2-O 3.48Å; W731-A864 PolarHBondContact NE1-O 3.24Å; W731-F866 AromaticContact CH2-CD2 3.3Å; W731-F866 HydrophobicContact CH2-CD2 3.3Å; W731-F866 AromaticContact CH2-CE2 3.44Å; W731-F866 HydrophobicContact CH2-CE2 3.44Å; W731-F866 VanDerWaalsContact CH2-CE2 3.44Å; W731-F866 HydrophobicContact CH2-CG 4.17Å; W731-F866 HydrophobicContact CH2-CZ 4.41Å; W731-F866 HydrophobicContact CZ2-CE2 4.38Å; W731-F866 AromaticContact CZ3-CD2 3.65Å; W731-F866 HydrophobicContact CZ3-CD2 3.65Å; W731-F866 HydrophobicContact CZ3-CE2 4.05Å
732	L	89.7	Confident	93.6	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.25	C	C	.	.			trans	-93.2	116.9	-170.3	-168.4	167.1	0	0	0	110.8	L728 P729 D730 I734 I762 G765 I796 F866	L728-L732 HydrophobicContact CB-CD1 4.33Å; L728-L732 HydrophobicContact CB-CD2 4.43Å; L728-L732 HydrophobicContact CD1-CD1 4.15Å; L728-L732 HydrophobicContact CD1-CD2 3.65Å; P729-L732 WeakPolarHBondContact O-CB 3.36Å; P729-L732 PolarHBondContact O-N 3.23Å; D730-L732 VanDerWaalsContact C-N 3.32Å; L732-I734 HydrophobicContact CD2-CD1 4.14Å; L732-I734 HydrophobicContact CD2-CG1 3.57Å; L732-I762 HydrophobicContact CD2-CG2 4.45Å; L732-G765 PolarHBondContact O-N 3.26Å; L732-I796 HydrophobicContact CD2-CG2 4.44Å; L732-I796 HydrophobicContact CG-CG2 4.42Å; L732-F866 HydrophobicContact CD1-CE2 3.53Å; L732-F866 HydrophobicContact CD1-CZ 4.02Å; L732-F866 HydrophobicContact CG-CE2 4.02Å
733	T	92.6	Very high	93.7	Very high	34 Å²	34	47.7 Å²	47.7	21%	0.209	25%	0.249	C	C	.	.			trans	-116.5	138.1	170.6	-69.8	0	0	0	0	109.4	E735 I762 D764	T733-E735 HydrophobicContact CG2-CG 3.88Å; T733-I762 CarbonylContact C-O 3.57Å; T733-I762 WeakPolarHBondContact CA-O 3.28Å; T733-I762 VanDerWaalsContact CG2-O 3.28Å; T733-I762 WeakPolarHBondContact CG2-O 3.41Å; T733-D764 PolarHBondContact OG1-N 3.36Å
734	I	95.4	Very high	93.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.6	173.4	-55.9	-175.7	0	0	0	107.4	F700 L703 L728 L732 I761 I762 W794 I796	F700-I734 HydrophobicContact CD1-CD1 3.75Å; F700-I734 HydrophobicContact CE1-CD1 3.8Å; L703-I734 HydrophobicContact CD2-CD1 3.76Å; L728-I734 HydrophobicContact CD1-CD1 4.19Å; L732-I734 HydrophobicContact CD2-CD1 4.14Å; L732-I734 HydrophobicContact CD2-CG1 3.57Å; I734-I761 HydrophobicContact CB-CB 4.48Å; I734-I761 HydrophobicContact CG2-CB 4.39Å; I734-I761 PolarHBondContact O-N 2.76Å; I734-I762 HydrophobicContact CB-CB 4.03Å; I734-I762 HydrophobicContact CB-CG1 4.11Å; I734-I762 HydrophobicContact CD1-CB 4.34Å; I734-I762 HydrophobicContact CD1-CG1 3.71Å; I734-I762 HydrophobicContact CG1-CB 3.97Å; I734-I762 HydrophobicContact CG1-CG1 3.9Å; I734-I762 PolarHBondContact N-O 3.09Å; I734-I762 PolarHBondContact O-N 2.69Å; I734-W794 HydrophobicContact CD1-CE3 4.4Å; I734-W794 HydrophobicContact CD1-CZ3 4.32Å; I734-W794 HydrophobicContact CG2-CB 4.03Å; I734-W794 HydrophobicContact CG2-CD2 3.69Å; I734-W794 HydrophobicContact CG2-CE3 3.52Å; I734-W794 HydrophobicContact CG2-CG 3.95Å; I734-W794 HydrophobicContact CG2-CZ3 4.18Å; I734-I796 HydrophobicContact CD1-CD1 4.17Å; I734-I796 HydrophobicContact CG1-CD1 4.06Å; I734-I796 HydrophobicContact CG1-CG1 4.07Å; I734-I796 HydrophobicContact CG2-CG1 4.28Å
735	E	96.8	Very high	93.6	Very high	53 Å²	53	46.4 Å²	46.4	25%	0.248	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.3	177.9	-60.5	-175.1	88.6	0	0	110.5	T733 H737 R758 R759 W794 R795	T733-E735 HydrophobicContact CG2-CG 3.88Å; E735-H737 VanDerWaalsContact CB-NE2 3.3Å; E735-H737 WeakPolarHBondContact CB-NE2 3.39Å; E735-H737 IonicContact OE1-NE2 3.57Å; E735-H737 IonicContact OE2-NE2 2.85Å; E735-R758 IonicContact OE1-CZ 3.91Å; E735-R758 IonicContact OE1-NE 2.8Å; E735-R758 IonicContact OE1-NH2 3.84Å; E735-R758 PolarHBondContact OE1-NH2 2.82Å; E735-R759 CarbonylContact C-O 3.59Å; E735-W794 CarbonylContact O-C 3.55Å; E735-W794 VanDerWaalsContact O-CA 3.28Å; E735-W794 WeakPolarHBondContact O-CA 3.22Å; E735-R795 PolarHBondContact N-O 3.36Å; E735-R795 PolarHBondContact O-N 3.39Å
736	E	98	Very high	93.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.4	173.2	-172.8	168.4	70.7	0	0	110.1	P738 R758 R759 I761 H787 H792 W794	E736-P738 WeakPolarHBondContact O-CD 3.42Å; E736-R758 VanDerWaalsContact O-CA 3.29Å; E736-R758 WeakPolarHBondContact O-CA 3.33Å; E736-R758 WeakPolarHBondContact O-CG 3.49Å; E736-R759 PolarHBondContact N-O 2.97Å; E736-R759 PolarHBondContact O-N 3.04Å; E736-I761 HydrophobicContact CB-CD1 4.04Å; E736-I761 HydrophobicContact CB-CG1 4.06Å; E736-H787 IonicContact OE1-CE1 3.79Å; E736-H787 PolarHBondContact OE1-CE1 3.03Å; E736-H787 IonicContact OE1-NE2 3.77Å; E736-H787 PolarHBondContact OE1-NE2 3.48Å; E736-H787 VanDerWaalsContact OE1-NE2 3.14Å; E736-H787 IonicContact OE2-CD2 3.29Å; E736-H787 IonicContact OE2-NE2 3.67Å; E736-H787 PolarHBondContact OE2-NE2 3.01Å; E736-H792 HydrophobicContact CG-CB 4.11Å; E736-H792 WeakPolarHBondContact CG-O 3.47Å; E736-H792 IonicContact OE1-CD2 3.54Å; E736-H792 IonicContact OE2-CD2 3.62Å; E736-H792 PolarHBondContact OE2-N 3.09Å; E736-W794 PolarHBondContact OE2-NE1 3.33Å
737	H	97.5	Very high	94	Very high	18 Å²	18	36.4 Å²	36.4	8%	0.083	19%	0.191	C	C	.	.			trans	-123.8	77.5	-176.4	-69.8	-110.2	0	0	0	111.8	E735 H739 L740 R758 H792 N793	E735-H737 VanDerWaalsContact CB-NE2 3.3Å; E735-H737 WeakPolarHBondContact CB-NE2 3.39Å; E735-H737 IonicContact OE1-NE2 3.57Å; E735-H737 IonicContact OE2-NE2 2.85Å; H737-H739 PolarHBondContact O-N 3.47Å; H737-H739 VanDerWaalsContact O-N 3.12Å; H737-L740 HydrophobicContact CB-CD1 4.03Å; H737-L740 HydrophobicContact CB-CD2 4.07Å; H737-L740 HydrophobicContact CB-CG 3.83Å; H737-R758 PolarHBondContact CE1-NE 2.87Å; H737-R758 PolarHBondContact CE1-NH2 3.05Å; H737-H792 CarbonylContact C-O 3.56Å; H737-H792 PolarHBondContact N-O 3.04Å; H737-N793 HydrophobicContact CB-CB 4.46Å; H737-N793 PolarHBondContact N-O 3.29Å; H737-N793 VanDerWaalsContact N-O 3.09Å; H737-N793 WeakPolarHBondContact O-CB 3.25Å; H737-N793 PolarHBondContact O-ND2 3.49Å
738	P	97.6	Very high	94.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18	-170.4	26.2	-34.9	0	0	0	115.1	E736 S746 T747 T756 E757 H792	E736-P738 WeakPolarHBondContact O-CD 3.42Å; P738-S746 WeakPolarHBondContact O-CA 3.45Å; P738-S746 WeakPolarHBondContact O-CB 3Å; P738-T747 PolarHBondContact O-N 2.99Å; P738-T747 VanDerWaalsContact O-N 3.09Å; P738-T756 HydrophobicContact CB-CG2 4.42Å; P738-T756 WeakPolarHBondContact CB-OG1 3.28Å; P738-E757 VanDerWaalsContact CG-C 3.48Å; P738-E757 WeakPolarHBondContact CG-O 3.22Å; P738-H792 HydrophobicContact CB-CB 3.64Å
739	H	97.7	Very high	94.7	Very high	79 Å²	79	36.2 Å²	36.2	37%	0.366	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	25.6	-169.8	-52.9	153	0	0	0	113.6	L567 H737 L741 T756	L567-H739 HydrophobicContact CD2-CB 3.68Å; H737-H739 PolarHBondContact O-N 3.47Å; H737-H739 VanDerWaalsContact O-N 3.12Å; H739-L741 PolarHBondContact O-N 2.89Å; H739-T756 PolarHBondContact CE1-O 2.95Å; H739-T756 PolarHBondContact NE2-O 2.91Å; H739-T756 VanDerWaalsContact NE2-O 3.16Å; H739-T756 PolarHBondContact NE2-OG1 2.87Å
740	L	95.6	Very high	95.2	Very high	52 Å²	52	35.9 Å²	35.9	27%	0.272	19%	0.188	S	C	.	.			trans	-63.6	125.6	172	-63.6	178.3	0	0	0	109.6	H737 K742 G743 S746 N793	H737-L740 HydrophobicContact CB-CD1 4.03Å; H737-L740 HydrophobicContact CB-CD2 4.07Å; H737-L740 HydrophobicContact CB-CG 3.83Å; L740-K742 PolarHBondContact O-N 3.44Å; L740-G743 PolarHBondContact O-N 3.38Å; L740-S746 PolarHBondContact N-OG 3.3Å; L740-S746 WeakPolarHBondContact O-CB 3.45Å; L740-S746 PolarHBondContact O-OG 2.85Å; L740-N793 HydrophobicContact CD1-CB 3.93Å
741	L	95.4	Very high	95.6	Very high	118 Å²	118	34.6 Å²	34.6	62%	0.618	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	135.3	174.1	-61.5	-176.7	0	0	0	109.7	L567 D568 H739 G743	L567-L741 WeakPolarHBondContact O-CA 3.35Å; D568-L741 HydrophobicContact CB-CB 4.38Å; D568-L741 HydrophobicContact CB-CD2 4.2Å; H739-L741 PolarHBondContact O-N 2.89Å; L741-G743 PolarHBondContact O-N 2.93Å
742	K	94.2	Very high	96.1	Very high	60 Å²	60	32.6 Å²	32.6	26%	0.261	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	9.5	-173.9	-60.8	176.5	65.7	178.3	0	115.1	L567 D568 R654 D658 L740 L744	L567-K742 PolarHBondContact O-N 3.32Å; D568-K742 HydrophobicContact CB-CG 4.38Å; D568-K742 WeakPolarHBondContact O-CG 3.44Å; D568-K742 WeakPolarHBondContact OD2-CG 3.42Å; R654-K742 HydrophobicContact CB-CB 4.32Å; R654-K742 HydrophobicContact CG-CB 4.04Å; R654-K742 WeakPolarHBondContact CG-O 3.49Å; D658-K742 IonicContact OD1-NZ 3.29Å; D658-K742 PolarHBondContact OD1-NZ 3.26Å; D658-K742 WeakPolarHBondContact OD2-CE 3.33Å; D658-K742 IonicContact OD2-NZ 3.91Å; D658-K742 PolarHBondContact OD2-NZ 2.95Å; L740-K742 PolarHBondContact O-N 3.44Å; K742-L744 PolarHBondContact O-N 3.05Å
743	G	95.4	Very high	96.5	Very high	11 Å²	11	32.5 Å²	32.5	11%	0.113	18%	0.18	C	C	.	.			trans	-62.7	138.5	-178.4	0	0	0	0	0	112.5	R654 L740 L741 A745 S746	R654-G743 PolarHBondContact NE-O 2.98Å; R654-G743 PolarHBondContact NH2-O 3.21Å; L740-G743 PolarHBondContact O-N 3.38Å; L741-G743 PolarHBondContact O-N 2.93Å; G743-A745 VanDerWaalsContact C-N 3.31Å; G743-A745 PolarHBondContact O-N 3.01Å; G743-S746 VanDerWaalsContact CA-OG 3.24Å; G743-S746 WeakPolarHBondContact CA-OG 3.49Å; G743-S746 WeakPolarHBondContact O-CB 3.42Å; G743-S746 PolarHBondContact O-N 3.37Å
744	L	94.5	Very high	96.8	Very high	64 Å²	64	31.1 Å²	31.1	34%	0.335	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.2	-176.2	-70	179.4	0	0	0	112.7	R629 I652 R654 K742	R629-L744 PolarHBondContact NH2-O 3.32Å; I652-L744 HydrophobicContact CG2-CD1 3.89Å; R654-L744 PolarHBondContact NH2-O 3.46Å; R654-L744 VanDerWaalsContact NH2-O 3.08Å; K742-L744 PolarHBondContact O-N 3.05Å
745	A	95.7	Very high	96.9	Very high	41 Å²	41	35 Å²	35	34%	0.339	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	17.8	175.2	0	0	0	0	0	112.6	G743 H792 N793	G743-A745 VanDerWaalsContact C-N 3.31Å; G743-A745 PolarHBondContact O-N 3.01Å; A745-H792 WeakPolarHBondContact O-CA 3.46Å; A745-N793 VanDerWaalsContact C-OD1 3.29Å; A745-N793 WeakPolarHBondContact CA-OD1 3.3Å; A745-N793 WeakPolarHBondContact CB-OD1 3.4Å; A745-N793 PolarHBondContact N-OD1 3.45Å
746	S	98.1	Very high	97	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	18%	0.175	C	C	.	.			trans	-69.4	133.4	173.1	-66.9	0	0	0	0	111.2	P738 L740 G743 N793	P738-S746 WeakPolarHBondContact O-CA 3.45Å; P738-S746 WeakPolarHBondContact O-CB 3Å; L740-S746 PolarHBondContact N-OG 3.3Å; L740-S746 WeakPolarHBondContact O-CB 3.45Å; L740-S746 PolarHBondContact O-OG 2.85Å; G743-S746 VanDerWaalsContact CA-OG 3.24Å; G743-S746 WeakPolarHBondContact CA-OG 3.49Å; G743-S746 WeakPolarHBondContact O-CB 3.42Å; G743-S746 PolarHBondContact O-N 3.37Å; S746-N793 VanDerWaalsContact CA-ND2 3.34Å; S746-N793 WeakPolarHBondContact CA-ND2 3.45Å; S746-N793 PolarHBondContact N-ND2 2.92Å; S746-N793 PolarHBondContact N-OD1 3.03Å; S746-N793 PolarHBondContact OG-ND2 3.46Å
747	T	96.1	Very high	96.9	Very high	23 Å²	23	36.7 Å²	36.7	14%	0.141	19%	0.194	C	C	.	.			trans	-143.8	133.9	178.2	60.9	0	0	0	0	109.6	P738 T756 H792	P738-T747 PolarHBondContact O-N 2.99Å; P738-T747 VanDerWaalsContact O-N 3.09Å; T747-T756 PolarHBondContact O-OG1 3.46Å; T747-H792 PolarHBondContact OG1-CE1 3.35Å; T747-H792 PolarHBondContact OG1-ND1 3.36Å
748	P	97.1	Very high	96.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.013	22%	0.218	C	C	.	.	S	Bend	trans	-76.6	-26	179	28.4	-33.2	0	0	0	112.9	A564 P565 L567 Y625 T756	A564-P748 HydrophobicContact CB-CB 4.03Å; P565-P748 HydrophobicContact CG-CB 3.97Å; L567-P748 HydrophobicContact CD1-CB 4.22Å; Y625-P748 HydrophobicContact CD1-CG 3.62Å; Y625-P748 HydrophobicContact CE1-CG 3.81Å; Y625-P748 HydrophobicContact CG-CG 4.16Å; P748-T756 PolarHBondContact O-OG1 2.96Å
749	F	98.4	Very high	96.9	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-152.9	156	176.6	54.2	-95	0	0	0	110	A561 A564 F615 M621 Q623 Y625 V754	A561-F749 HydrophobicContact CB-CB 3.7Å; A561-F749 HydrophobicContact CB-CD1 4.43Å; A561-F749 HydrophobicContact CB-CG 4.44Å; A564-F749 HydrophobicContact CB-CD1 3.78Å; A564-F749 HydrophobicContact CB-CE1 3.97Å; F615-F749 HydrophobicContact CB-CE2 3.71Å; F615-F749 HydrophobicContact CB-CZ 4.27Å; F615-F749 HydrophobicContact CG-CE2 4.4Å; M621-F749 HydrophobicContact CE-CB 4.4Å; M621-F749 HydrophobicContact CE-CD1 4.14Å; M621-F749 HydrophobicContact CE-CD2 4.24Å; M621-F749 HydrophobicContact CE-CG 4.01Å; Q623-F749 HydrophobicContact CB-CD1 4.34Å; Q623-F749 HydrophobicContact CB-CE1 3.6Å; Q623-F749 HydrophobicContact CB-CZ 3.91Å; Y625-F749 AromaticContact CD1-CE1 3.94Å; Y625-F749 HydrophobicContact CD1-CE1 3.94Å; Y625-F749 AromaticContact CD1-CZ 3.86Å; Y625-F749 HydrophobicContact CD1-CZ 3.86Å; Y625-F749 HydrophobicContact CE1-CE1 4.16Å; Y625-F749 HydrophobicContact CE1-CE2 4.27Å; Y625-F749 AromaticContact CE1-CZ 3.84Å; Y625-F749 HydrophobicContact CE1-CZ 3.84Å; F749-V754 CarbonylContact C-O 3.59Å; F749-V754 VanDerWaalsContact CA-O 3.25Å; F749-V754 WeakPolarHBondContact CA-O 3.31Å; F749-V754 WeakPolarHBondContact CB-O 3.29Å
750	D	98.1	Very high	96.8	Very high	5 Å²	5	44 Å²	44	3%	0.027	22%	0.221	C	C	.	.			trans	-80	-177.4	-179.8	86.4	-10.3	0	0	0	112.3	E752 G753 V754 T756 G786 H787 A788	D750-E752 PolarHBondContact O-N 2.98Å; D750-E752 VanDerWaalsContact O-N 3.12Å; D750-E752 WeakPolarHBondContact OD1-CA 3.5Å; D750-E752 PolarHBondContact OD1-N 2.91Å; D750-G753 PolarHBondContact O-N 2.99Å; D750-G753 PolarHBondContact OD1-N 3.43Å; D750-G753 VanDerWaalsContact OD1-N 3.11Å; D750-V754 PolarHBondContact N-O 3.17Å; D750-V754 WeakPolarHBondContact OD1-CB 3.34Å; D750-V754 PolarHBondContact OD1-N 3.05Å; D750-T756 HydrophobicContact CB-CG2 4.49Å; D750-G786 WeakPolarHBondContact CB-O 3.47Å; D750-G786 VanDerWaalsContact OD2-CA 3.26Å; D750-G786 WeakPolarHBondContact OD2-CA 3.22Å; D750-H787 PolarHBondContact OD2-N 3.37Å; D750-A788 HydrophobicContact CB-CB 4.28Å; D750-A788 WeakPolarHBondContact CB-O 3.44Å; D750-A788 WeakPolarHBondContact OD2-CB 3.44Å; D750-A788 PolarHBondContact OD2-N 3.5Å
751	S	97	Very high	96.9	Very high	78 Å²	78	41.5 Å²	41.5	55%	0.545	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.1	-176.8	-56.5	0	0	0	0	114.8	A788 G789	S751-A788 WeakPolarHBondContact CB-O 3.34Å; S751-A788 PolarHBondContact N-O 3.47Å; S751-A788 PolarHBondContact OG-O 3.47Å; S751-A788 VanDerWaalsContact OG-O 3.14Å; S751-G789 WeakPolarHBondContact OG-CA 3.37Å
752	E	97.9	Very high	97	Very high	28 Å²	28	35.9 Å²	35.9	13%	0.131	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	5	173.3	-69	175	146.3	0	0	111.4	A555 F615 D750 V754 S774 A788	A555-E752 HydrophobicContact CB-CB 4.29Å; F615-E752 WeakPolarHBondContact CE1-O 3.11Å; F615-E752 WeakPolarHBondContact CZ-O 3.38Å; D750-E752 PolarHBondContact O-N 2.98Å; D750-E752 VanDerWaalsContact O-N 3.12Å; D750-E752 WeakPolarHBondContact OD1-CA 3.5Å; D750-E752 PolarHBondContact OD1-N 2.91Å; E752-V754 VanDerWaalsContact C-N 3.32Å; E752-V754 HydrophobicContact CB-CG2 4.46Å; E752-S774 WeakPolarHBondContact OE2-CB 3.37Å; E752-S774 PolarHBondContact OE2-N 3.49Å; E752-A788 HydrophobicContact CB-CB 4.02Å; E752-A788 HydrophobicContact CG-CB 3.54Å
753	G	98.1	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	80.7	7.5	-178.2	0	0	0	0	0	114.4	L560 A561 M621 D750	L560-G753 WeakPolarHBondContact CA-O 3.47Å; A561-G753 PolarHBondContact N-O 2.86Å; M621-G753 WeakPolarHBondContact CE-O 3.1Å; D750-G753 PolarHBondContact O-N 2.99Å; D750-G753 PolarHBondContact OD1-N 3.43Å; D750-G753 VanDerWaalsContact OD1-N 3.11Å
754	V	98.6	Very high	97	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-73.3	137.6	178.3	175.3	0	0	0	0	109.7	A555 L559 F749 D750 E752 T756	A555-V754 HydrophobicContact CB-CG2 3.61Å; L559-V754 HydrophobicContact CB-CG1 4.03Å; L559-V754 HydrophobicContact CB-CG2 4.39Å; L559-V754 WeakPolarHBondContact O-CA 3.35Å; F749-V754 CarbonylContact C-O 3.59Å; F749-V754 VanDerWaalsContact CA-O 3.25Å; F749-V754 WeakPolarHBondContact CA-O 3.31Å; F749-V754 WeakPolarHBondContact CB-O 3.29Å; D750-V754 PolarHBondContact N-O 3.17Å; D750-V754 WeakPolarHBondContact OD1-CB 3.34Å; D750-V754 PolarHBondContact OD1-N 3.05Å; E752-V754 VanDerWaalsContact C-N 3.32Å; E752-V754 HydrophobicContact CB-CG2 4.46Å; V754-T756 PolarHBondContact O-N 3.45Å
755	R	98	Very high	96.9	Very high	83 Å²	83	38.2 Å²	38.2	31%	0.313	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-61.4	129.7	177.7	-169.4	-177	-51.9	-76.9	-2.4	110.8	L559 L560 A561 D563	L559-R755 PolarHBondContact O-N 3.26Å; L560-R755 PolarHBondContact O-NH2 2.49Å; A561-R755 HydrophobicContact CB-CB 4.08Å; A561-R755 HydrophobicContact CB-CG 4.42Å; D563-R755 PolarHBondContact O-NH1 3.34Å; D563-R755 VanDerWaalsContact O-NH1 3.14Å
756	T	98.2	Very high	96.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-81.2	142.9	170.3	55.5	0	0	0	0	109.8	P738 H739 T747 P748 D750 V754 H792	P738-T756 HydrophobicContact CB-CG2 4.42Å; P738-T756 WeakPolarHBondContact CB-OG1 3.28Å; H739-T756 PolarHBondContact CE1-O 2.95Å; H739-T756 PolarHBondContact NE2-O 2.91Å; H739-T756 VanDerWaalsContact NE2-O 3.16Å; H739-T756 PolarHBondContact NE2-OG1 2.87Å; T747-T756 PolarHBondContact O-OG1 3.46Å; P748-T756 PolarHBondContact O-OG1 2.96Å; D750-T756 HydrophobicContact CB-CG2 4.49Å; V754-T756 PolarHBondContact O-N 3.45Å; T756-H792 WeakPolarHBondContact CG2-NE2 3.44Å
757	E	96.8	Very high	96.8	Very high	88 Å²	88	39.4 Å²	39.4	41%	0.411	19%	0.186	S	C	.	.			trans	-133.9	152.4	-176.3	-63.8	-179.4	168.2	0	0	110.3	P738 R759	P738-E757 VanDerWaalsContact CG-C 3.48Å; P738-E757 WeakPolarHBondContact CG-O 3.22Å; E757-R759 HydrophobicContact CB-CG 4.38Å; E757-R759 VanDerWaalsContact CD-NH2 3.33Å; E757-R759 PolarHBondContact O-N 3.14Å; E757-R759 IonicContact OE2-CZ 3.89Å; E757-R759 IonicContact OE2-NH1 3.17Å; E757-R759 PolarHBondContact OE2-NH1 2.72Å; E757-R759 IonicContact OE2-NH2 2.92Å; E757-R759 PolarHBondContact OE2-NH2 2.92Å
758	R	97.3	Very high	96.9	Very high	157 Å²	157	41.1 Å²	41.1	59%	0.592	20%	0.197	S	C	*	.			trans	-66.1	131.9	168.2	179.7	177.7	179.1	169	1.7	109.4	E735 E736 H737	E735-R758 IonicContact OE1-CZ 3.91Å; E735-R758 IonicContact OE1-NE 2.8Å; E735-R758 IonicContact OE1-NH2 3.84Å; E735-R758 PolarHBondContact OE1-NH2 2.82Å; E736-R758 VanDerWaalsContact O-CA 3.29Å; E736-R758 WeakPolarHBondContact O-CA 3.33Å; E736-R758 WeakPolarHBondContact O-CG 3.49Å; H737-R758 PolarHBondContact CE1-NE 2.87Å; H737-R758 PolarHBondContact CE1-NH2 3.05Å
759	R	96.2	Very high	96.8	Very high	51 Å²	51	42.7 Å²	42.7	19%	0.192	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.5	-177.3	-58.2	-176.8	-170.1	-67.8	1.1	111.2	E735 E736 E757 I761 T785	E735-R759 CarbonylContact C-O 3.59Å; E736-R759 PolarHBondContact N-O 2.97Å; E736-R759 PolarHBondContact O-N 3.04Å; E757-R759 HydrophobicContact CB-CG 4.38Å; E757-R759 VanDerWaalsContact CD-NH2 3.33Å; E757-R759 PolarHBondContact O-N 3.14Å; E757-R759 IonicContact OE2-CZ 3.89Å; E757-R759 IonicContact OE2-NH1 3.17Å; E757-R759 PolarHBondContact OE2-NH1 2.72Å; E757-R759 IonicContact OE2-NH2 2.92Å; E757-R759 PolarHBondContact OE2-NH2 2.92Å; R759-I761 HydrophobicContact CB-CD1 4.18Å; R759-T785 PolarHBondContact NE-O 3.24Å
760	D	96.5	Very high	96.8	Very high	42 Å²	42	43 Å²	43	23%	0.225	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.6	162.5	-58.2	-13.6	0	0	0	106.5	K763 T768	D760-K763 HydrophobicContact CB-CB 4.14Å; D760-K763 WeakPolarHBondContact OD2-CD 3.29Å; D760-K763 IonicContact OD2-NZ 2.67Å; D760-K763 PolarHBondContact OD2-NZ 3.1Å; D760-T768 PolarHBondContact O-OG1 3.29Å
761	I	97.7	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-43	177.6	-52.4	-56.5	0	0	0	110.1	I707 I734 E736 R759 T768 Q769 L771 W794	I707-I761 HydrophobicContact CD1-CG2 3.58Å; I734-I761 HydrophobicContact CB-CB 4.48Å; I734-I761 HydrophobicContact CG2-CB 4.39Å; I734-I761 PolarHBondContact O-N 2.76Å; E736-I761 HydrophobicContact CB-CD1 4.04Å; E736-I761 HydrophobicContact CB-CG1 4.06Å; R759-I761 HydrophobicContact CB-CD1 4.18Å; I761-T768 PolarHBondContact O-N 3.01Å; I761-T768 VanDerWaalsContact O-N 3.16Å; I761-T768 PolarHBondContact O-OG1 3.19Å; I761-Q769 HydrophobicContact CD1-CG 4.35Å; I761-L771 HydrophobicContact CD1-CD2 4.15Å; I761-L771 HydrophobicContact CG2-CD2 4.21Å; I761-W794 HydrophobicContact CB-CZ2 4.2Å; I761-W794 HydrophobicContact CD1-CZ2 4.46Å; I761-W794 HydrophobicContact CG1-CZ2 3.83Å; I761-W794 HydrophobicContact CG2-CH2 3.8Å; I761-W794 HydrophobicContact CG2-CZ2 3.67Å
762	I	96.3	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.8	168.3	-54	-63	0	0	0	106.1	L703 I727 L728 L732 T733 I734 I766 L767	L703-I762 HydrophobicContact CD2-CD1 4.43Å; L703-I762 HydrophobicContact CD2-CG1 4.31Å; I727-I762 HydrophobicContact CD1-CD1 3.81Å; I727-I762 HydrophobicContact CG1-CD1 4.2Å; L728-I762 HydrophobicContact CB-CG2 4.46Å; L728-I762 HydrophobicContact CD1-CD1 4.42Å; L728-I762 HydrophobicContact CD1-CG1 3.97Å; L728-I762 HydrophobicContact CD1-CG2 4.11Å; L732-I762 HydrophobicContact CD2-CG2 4.45Å; T733-I762 CarbonylContact C-O 3.57Å; T733-I762 WeakPolarHBondContact CA-O 3.28Å; T733-I762 VanDerWaalsContact CG2-O 3.28Å; T733-I762 WeakPolarHBondContact CG2-O 3.41Å; I734-I762 HydrophobicContact CB-CB 4.03Å; I734-I762 HydrophobicContact CB-CG1 4.11Å; I734-I762 HydrophobicContact CD1-CB 4.34Å; I734-I762 HydrophobicContact CD1-CG1 3.71Å; I734-I762 HydrophobicContact CG1-CB 3.97Å; I734-I762 HydrophobicContact CG1-CG1 3.9Å; I734-I762 PolarHBondContact N-O 3.09Å; I734-I762 PolarHBondContact O-N 2.69Å; I762-I766 CarbonylContact C-O 3.6Å; I762-I766 VanDerWaalsContact CA-O 3.3Å; I762-I766 WeakPolarHBondContact CA-O 3.45Å; I762-L767 HydrophobicContact CD1-CB 4.11Å; I762-L767 HydrophobicContact CD1-CD1 3.62Å; I762-L767 HydrophobicContact CD1-CG 4.49Å
763	K	96.3	Very high	97	Very high	98 Å²	98	40.4 Å²	40.4	43%	0.426	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122	172.8	-171.2	170.4	-162.5	121.4	0	109.6	D760 G765 I766 T768	D760-K763 HydrophobicContact CB-CB 4.14Å; D760-K763 WeakPolarHBondContact OD2-CD 3.29Å; D760-K763 IonicContact OD2-NZ 2.67Å; D760-K763 PolarHBondContact OD2-NZ 3.1Å; K763-G765 PolarHBondContact O-N 2.97Å; K763-I766 PolarHBondContact N-O 3.14Å; K763-I766 WeakPolarHBondContact O-CA 3.47Å; K763-I766 VanDerWaalsContact O-CB 3.29Å; K763-I766 WeakPolarHBondContact O-CB 3.35Å; K763-I766 PolarHBondContact O-N 3.41Å; K763-T768 HydrophobicContact CB-CG2 3.72Å
764	D	93.7	Very high	97	Very high	86 Å²	86	40.5 Å²	40.5	46%	0.46	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	46.5	-178.8	-50.9	-38.8	0	0	0	112.1	D730 T733 I766	D730-D764 WeakPolarHBondContact CA-O 3.01Å; D730-D764 CarbonylContact O-C 3.45Å; D730-D764 VanDerWaalsContact O-C 3.3Å; D730-D764 WeakPolarHBondContact O-CA 3.44Å; D730-D764 WeakPolarHBondContact O-CB 3.29Å; T733-D764 PolarHBondContact OG1-N 3.36Å; D764-I766 PolarHBondContact O-N 3.03Å
765	G	92.1	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-6.4	-177.4	0	0	0	0	0	116.1	Q726 I727 L728 P729 L732 K763	Q726-G765 WeakPolarHBondContact CA-O 3.39Å; I727-G765 PolarHBondContact N-O 3.08Å; L728-G765 PolarHBondContact N-O 2.99Å; L728-G765 VanDerWaalsContact O-CA 3.25Å; L728-G765 WeakPolarHBondContact O-CA 3.48Å; P729-G765 WeakPolarHBondContact O-CA 3.29Å; P729-G765 PolarHBondContact O-N 3.42Å; L732-G765 PolarHBondContact O-N 3.26Å; K763-G765 PolarHBondContact O-N 2.97Å
766	I	96	Very high	96.9	Very high	68 Å²	68	39.7 Å²	39.7	35%	0.349	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.9	-176.7	-60.1	171.8	0	0	0	110.7	K725 Q726 I762 K763 D764 T768	K725-I766 WeakPolarHBondContact O-CA 3.47Å; Q726-I766 HydrophobicContact CB-CG1 4.29Å; I762-I766 CarbonylContact C-O 3.6Å; I762-I766 VanDerWaalsContact CA-O 3.3Å; I762-I766 WeakPolarHBondContact CA-O 3.45Å; K763-I766 PolarHBondContact N-O 3.14Å; K763-I766 WeakPolarHBondContact O-CA 3.47Å; K763-I766 VanDerWaalsContact O-CB 3.29Å; K763-I766 WeakPolarHBondContact O-CB 3.35Å; K763-I766 PolarHBondContact O-N 3.41Å; D764-I766 PolarHBondContact O-N 3.03Å; I766-T768 PolarHBondContact O-N 2.92Å
767	L	96.5	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.4	172	179.6	62.4	0	0	0	110.7	I707 L723 G724 K725 I727 I762 Q769 W770	I707-L767 HydrophobicContact CB-CD1 4.43Å; I707-L767 HydrophobicContact CD1-CD1 4.02Å; I707-L767 HydrophobicContact CG2-CD1 3.89Å; I707-L767 HydrophobicContact CG2-CD2 3.82Å; L723-L767 HydrophobicContact CD1-CG 4.35Å; G724-L767 WeakPolarHBondContact CA-O 3.32Å; G724-L767 PolarHBondContact N-O 3.16Å; K725-L767 PolarHBondContact O-N 3.22Å; I727-L767 HydrophobicContact CD1-CB 3.86Å; I727-L767 HydrophobicContact CD1-CD1 4.44Å; I727-L767 HydrophobicContact CD1-CD2 4.35Å; I727-L767 HydrophobicContact CD1-CG 4.45Å; I727-L767 HydrophobicContact CG1-CB 4.05Å; I762-L767 HydrophobicContact CD1-CB 4.11Å; I762-L767 HydrophobicContact CD1-CD1 3.62Å; I762-L767 HydrophobicContact CD1-CG 4.49Å; L767-Q769 WeakPolarHBondContact CD1-O 3.2Å; L767-W770 HydrophobicContact CD2-CE3 4.06Å; L767-W770 HydrophobicContact CD2-CH2 3.8Å; L767-W770 HydrophobicContact CD2-CZ3 3.4Å
768	T	98	Very high	97	Very high	59 Å²	59	38.5 Å²	38.5	36%	0.362	18%	0.177	S	C	.	.			trans	-94.4	-25.2	-172.7	63.3	0	0	0	0	113	L723 D760 I761 K763 I766	L723-T768 VanDerWaalsContact CD1-C 3.47Å; L723-T768 WeakPolarHBondContact CD1-O 3.38Å; D760-T768 PolarHBondContact O-OG1 3.29Å; I761-T768 PolarHBondContact O-N 3.01Å; I761-T768 VanDerWaalsContact O-N 3.16Å; I761-T768 PolarHBondContact O-OG1 3.19Å; K763-T768 HydrophobicContact CB-CG2 3.72Å; I766-T768 PolarHBondContact O-N 2.92Å
769	Q	96.1	Very high	97.1	Very high	36 Å²	36	34.8 Å²	34.8	17%	0.168	17%	0.166	C	C	.	.			trans	-159.5	162.1	-172.5	62.4	-177.1	44.6	0	0	113.6	L723 I761 L767	L723-Q769 VanDerWaalsContact CD1-CA 3.47Å; I761-Q769 HydrophobicContact CD1-CG 4.35Å; L767-Q769 WeakPolarHBondContact CD1-O 3.2Å
770	W	98	Very high	97.1	Very high	20 Å²	20	35 Å²	35	8%	0.076	17%	0.17	C	C	.	.			trans	-91.5	157.3	168.3	-56.3	125.6	0	0	0	111.4	I707 V712 L719 L723 L767 L772 T785	I707-W770 HydrophobicContact CB-CE3 3.97Å; I707-W770 HydrophobicContact CB-CZ3 4.19Å; I707-W770 HydrophobicContact CG2-CE3 4.39Å; I707-W770 HydrophobicContact CG2-CZ3 4.13Å; V712-W770 HydrophobicContact CG1-CD2 4.34Å; V712-W770 HydrophobicContact CG1-CZ2 4.23Å; V712-W770 HydrophobicContact CG2-CD2 3.85Å; V712-W770 HydrophobicContact CG2-CE3 3.63Å; V712-W770 HydrophobicContact CG2-CG 4.44Å; V712-W770 HydrophobicContact CG2-CH2 4.36Å; V712-W770 HydrophobicContact CG2-CZ2 4.49Å; V712-W770 HydrophobicContact CG2-CZ3 3.89Å; L719-W770 VanDerWaalsContact O-CH2 3.25Å; L719-W770 WeakPolarHBondContact O-CH2 3.48Å; L723-W770 HydrophobicContact CB-CH2 4.13Å; L723-W770 HydrophobicContact CB-CZ2 3.54Å; L723-W770 HydrophobicContact CG-CZ2 4.48Å; L767-W770 HydrophobicContact CD2-CE3 4.06Å; L767-W770 HydrophobicContact CD2-CH2 3.8Å; L767-W770 HydrophobicContact CD2-CZ3 3.4Å; W770-L772 HydrophobicContact CB-CD1 4.27Å; W770-L772 HydrophobicContact CB-CD2 3.56Å; W770-L772 HydrophobicContact CB-CG 3.77Å; W770-L772 HydrophobicContact CG-CD2 4.43Å; W770-L772 PolarHBondContact O-N 3.09Å; W770-T785 PolarHBondContact O-OG1 2.89Å
771	L	98.5	Very high	97.1	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-92.4	98.4	173.1	-45.4	176.8	0	0	0	108.9	V704 I707 G709 I761 H787 I791 W794	V704-L771 HydrophobicContact CB-CD1 4.35Å; V704-L771 HydrophobicContact CG1-CD1 3.83Å; I707-L771 HydrophobicContact CD1-CD1 3.85Å; I707-L771 HydrophobicContact CD1-CD2 3.82Å; I707-L771 HydrophobicContact CD1-CG 3.64Å; I707-L771 HydrophobicContact CG1-CD1 3.72Å; I707-L771 HydrophobicContact CG1-CD2 4.47Å; I707-L771 HydrophobicContact CG1-CG 3.74Å; I707-L771 PolarHBondContact O-N 2.89Å; G709-L771 PolarHBondContact N-O 3.4Å; I761-L771 HydrophobicContact CD1-CD2 4.15Å; I761-L771 HydrophobicContact CG2-CD2 4.21Å; L771-H787 HydrophobicContact CB-CB 3.98Å; L771-H787 VanDerWaalsContact CD2-CD2 3.47Å; L771-H787 WeakPolarHBondContact CD2-CD2 3.38Å; L771-H787 VanDerWaalsContact CD2-NE2 3.3Å; L771-H787 WeakPolarHBondContact CD2-NE2 3.39Å; L771-I791 HydrophobicContact CD1-CG2 3.74Å; L771-W794 HydrophobicContact CD1-CH2 4.19Å; L771-W794 HydrophobicContact CD1-CZ2 3.86Å; L771-W794 HydrophobicContact CD2-CZ2 3.91Å
772	L	98.6	Very high	97	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.214	C	C	.	.			trans	-110.6	126.8	-165.8	-58.4	179.3	0	0	0	112	W770 A777 L780 L782 K783 S784 T785 H787	W770-L772 HydrophobicContact CB-CD1 4.27Å; W770-L772 HydrophobicContact CB-CD2 3.56Å; W770-L772 HydrophobicContact CB-CG 3.77Å; W770-L772 HydrophobicContact CG-CD2 4.43Å; W770-L772 PolarHBondContact O-N 3.09Å; L772-A777 HydrophobicContact CB-CB 4.17Å; L772-A777 HydrophobicContact CD1-CB 4.25Å; L772-L780 HydrophobicContact CD2-CD1 3.8Å; L772-L782 HydrophobicContact CD1-CB 3.84Å; L772-L782 HydrophobicContact CD1-CD1 3.88Å; L772-K783 VanDerWaalsContact CD1-O 3.24Å; L772-K783 WeakPolarHBondContact CD1-O 3.36Å; L772-S784 PolarHBondContact O-OG 3.4Å; L772-S784 VanDerWaalsContact O-OG 3.07Å; L772-T785 HydrophobicContact CB-CG2 4.25Å; L772-T785 HydrophobicContact CD1-CG2 4.24Å; L772-T785 HydrophobicContact CG-CG2 4.3Å; L772-T785 PolarHBondContact N-OG1 2.8Å; L772-T785 PolarHBondContact O-N 3.12Å; L772-T785 VanDerWaalsContact O-N 3.11Å; L772-H787 PolarHBondContact O-N 3.37Å
773	T	98.5	Very high	97.1	Very high	41 Å²	41	46.3 Å²	46.3	25%	0.252	24%	0.24	S	C	.	.			trans	-75.9	163.7	154.3	66.9	0	0	0	0	110	Y775 S776 A777 A788	T773-Y775 VanDerWaalsContact C-N 3.26Å; T773-Y775 PolarHBondContact O-N 3.04Å; T773-S776 PolarHBondContact N-OG 2.81Å; T773-S776 PolarHBondContact O-N 3.16Å; T773-S776 PolarHBondContact O-OG 3.37Å; T773-S776 VanDerWaalsContact O-OG 3.05Å; T773-S776 PolarHBondContact OG1-N 3.22Å; T773-S776 VanDerWaalsContact OG1-N 3.1Å; T773-S776 PolarHBondContact OG1-OG 3.27Å; T773-A777 WeakPolarHBondContact O-CB 3.42Å; T773-A777 PolarHBondContact O-N 3.46Å; T773-A788 HydrophobicContact CG2-CB 4.05Å
774	S	98.3	Very high	97.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-40	173.4	-74.5	0	0	0	0	112.6	A555 E752 R778	A555-S774 WeakPolarHBondContact CA-OG 3.26Å; A555-S774 VanDerWaalsContact CB-OG 3.22Å; A555-S774 WeakPolarHBondContact CB-OG 3.26Å; E752-S774 WeakPolarHBondContact OE2-CB 3.37Å; E752-S774 PolarHBondContact OE2-N 3.49Å; S774-R778 WeakPolarHBondContact O-CG 3.4Å; S774-R778 PolarHBondContact O-N 2.98Å; S774-R778 VanDerWaalsContact O-N 3.14Å
775	Y	97.9	Very high	97.4	Very high	67 Å²	67	38.9 Å²	38.9	26%	0.263	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-50.6	177.9	-177.2	-91.8	0	0	0	112.6	D549 C551 A552 Y713 T773 A777 R778 K779	D549-Y775 WeakPolarHBondContact OD2-CE2 3.13Å; D549-Y775 VanDerWaalsContact OD2-CZ 3.27Å; D549-Y775 PolarHBondContact OD2-OH 3.12Å; C551-Y775 HydrophobicContact CB-CD2 4.1Å; C551-Y775 HydrophobicContact CB-CE2 3.87Å; C551-Y775 WeakPolarHBondContact O-CD2 3.27Å; A552-Y775 HydrophobicContact CB-CE2 4.45Å; Y713-Y775 HydrophobicContact CE1-CD1 4.43Å; Y713-Y775 HydrophobicContact CE1-CE1 4.2Å; Y713-Y775 AromaticContact CZ-CE1 3.99Å; T773-Y775 VanDerWaalsContact C-N 3.26Å; T773-Y775 PolarHBondContact O-N 3.04Å; Y775-A777 VanDerWaalsContact C-N 3.29Å; Y775-A777 PolarHBondContact O-N 2.97Å; Y775-R778 PolarHBondContact O-N 2.84Å; Y775-K779 HydrophobicContact CD1-CG 4.27Å; Y775-K779 HydrophobicContact CE1-CD 4.49Å; Y775-K779 HydrophobicContact CE1-CG 3.83Å; Y775-K779 PolarHBondContact O-N 3.18Å; Y775-K779 VanDerWaalsContact O-N 3.1Å; Y775-K779 WeakPolarHBondContact OH-CE 3.3Å
776	S	98.4	Very high	97.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-34.6	179.8	51.9	0	0	0	0	112.2	T773 K779 L780	T773-S776 PolarHBondContact N-OG 2.81Å; T773-S776 PolarHBondContact O-N 3.16Å; T773-S776 PolarHBondContact O-OG 3.37Å; T773-S776 VanDerWaalsContact O-OG 3.05Å; T773-S776 PolarHBondContact OG1-N 3.22Å; T773-S776 VanDerWaalsContact OG1-N 3.1Å; T773-S776 PolarHBondContact OG1-OG 3.27Å; S776-K779 PolarHBondContact O-N 2.84Å; S776-L780 WeakPolarHBondContact O-CG 3.39Å; S776-L780 PolarHBondContact O-N 2.78Å; S776-L780 VanDerWaalsContact O-N 3.17Å
777	A	98.5	Very high	97.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-49.8	174.9	0	0	0	0	0	111	L772 T773 Y775 K779 L780 G781 L782	L772-A777 HydrophobicContact CB-CB 4.17Å; L772-A777 HydrophobicContact CD1-CB 4.25Å; T773-A777 WeakPolarHBondContact O-CB 3.42Å; T773-A777 PolarHBondContact O-N 3.46Å; Y775-A777 VanDerWaalsContact C-N 3.29Å; Y775-A777 PolarHBondContact O-N 2.97Å; A777-K779 PolarHBondContact O-N 2.8Å; A777-L780 CarbonylContact O-C 3.39Å; A777-L780 PolarHBondContact O-N 2.81Å; A777-G781 PolarHBondContact O-N 2.97Å; A777-L782 CarbonylContact C-O 3.47Å; A777-L782 WeakPolarHBondContact CB-O 3.47Å; A777-L782 PolarHBondContact O-N 3.34Å
778	R	98.1	Very high	97.8	Very high	62 Å²	62	36.4 Å²	36.4	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-39.9	177.8	-69.8	169.5	-170.7	146	3.4	113	C551 G553 V554 D556 S774 Y775 L780 G781	C551-R778 HydrophobicContact CB-CB 3.96Å; C551-R778 VanDerWaalsContact O-CD 3.26Å; C551-R778 WeakPolarHBondContact O-CD 3.47Å; C551-R778 PolarHBondContact O-NH1 2.85Å; G553-R778 PolarHBondContact O-NH1 3.42Å; V554-R778 PolarHBondContact O-NH2 3.26Å; D556-R778 IonicContact OD1-CZ 2.77Å; D556-R778 IonicContact OD1-NE 2.7Å; D556-R778 IonicContact OD1-NH2 3.73Å; D556-R778 PolarHBondContact OD1-NH2 3.46Å; S774-R778 WeakPolarHBondContact O-CG 3.4Å; S774-R778 PolarHBondContact O-N 2.98Å; S774-R778 VanDerWaalsContact O-N 3.14Å; Y775-R778 PolarHBondContact O-N 2.84Å; R778-L780 PolarHBondContact O-N 2.8Å; R778-G781 PolarHBondContact O-N 3.42Å; R778-G781 VanDerWaalsContact O-N 3.14Å
779	K	98	Very high	97.7	Very high	80 Å²	80	37.2 Å²	37.2	35%	0.348	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-30.3	174.4	-75.2	-69.1	179.8	-154.9	0	112.9	D549 C551 Y713 Y775 S776 A777	D549-K779 IonicContact OD1-NZ 2.87Å; D549-K779 PolarHBondContact OD1-NZ 2.84Å; D549-K779 IonicContact OD2-NZ 2.84Å; D549-K779 PolarHBondContact OD2-NZ 3.18Å; C551-K779 HydrophobicContact CB-CD 4.13Å; C551-K779 HydrophobicContact CB-CG 4.17Å; C551-K779 VanDerWaalsContact SG-CD 3.6Å; Y713-K779 HydrophobicContact CD1-CB 4.28Å; Y713-K779 HydrophobicContact CD1-CG 4.46Å; Y713-K779 HydrophobicContact CD2-CB 4.09Å; Y713-K779 HydrophobicContact CD2-CD 4.41Å; Y713-K779 HydrophobicContact CD2-CG 4.08Å; Y713-K779 HydrophobicContact CE2-CG 4.31Å; Y713-K779 HydrophobicContact CG-CB 3.84Å; Y713-K779 HydrophobicContact CG-CG 4.2Å; Y775-K779 HydrophobicContact CD1-CG 4.27Å; Y775-K779 HydrophobicContact CE1-CD 4.49Å; Y775-K779 HydrophobicContact CE1-CG 3.83Å; Y775-K779 PolarHBondContact O-N 3.18Å; Y775-K779 VanDerWaalsContact O-N 3.1Å; Y775-K779 WeakPolarHBondContact OH-CE 3.3Å; S776-K779 PolarHBondContact O-N 2.84Å; A777-K779 PolarHBondContact O-N 2.8Å
780	L	97	Very high	97.6	Very high	56 Å²	56	37.1 Å²	37.1	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-95.9	-3	179.4	-66.3	170.1	0	0	0	113.2	V712 L772 S776 A777 R778 L782	V712-L780 HydrophobicContact CB-CD1 4.21Å; V712-L780 HydrophobicContact CG1-CD1 3.94Å; V712-L780 HydrophobicContact CG1-CD2 3.99Å; L772-L780 HydrophobicContact CD2-CD1 3.8Å; S776-L780 WeakPolarHBondContact O-CG 3.39Å; S776-L780 PolarHBondContact O-N 2.78Å; S776-L780 VanDerWaalsContact O-N 3.17Å; A777-L780 CarbonylContact O-C 3.39Å; A777-L780 PolarHBondContact O-N 2.81Å; R778-L780 PolarHBondContact O-N 2.8Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 HydrophobicContact CB-CB 4.5Å; L780-L782 HydrophobicContact CB-CD1 4.01Å; L780-L782 HydrophobicContact CB-CG 4.09Å
781	G	96.4	Very high	97.6	Very high	69 Å²	69	38.9 Å²	38.9	71%	0.711	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	28.7	-173.4	0	0	0	0	0	113.9	A777 R778	A777-G781 PolarHBondContact O-N 2.97Å; R778-G781 PolarHBondContact O-N 3.42Å; R778-G781 VanDerWaalsContact O-N 3.14Å
782	L	97	Very high	97.5	Very high	82 Å²	82	38.7 Å²	38.7	43%	0.429	23%	0.233	S	C	.	.			trans	-116.2	-178.8	-178.7	-61.9	176.7	0	0	0	111.1	L772 A777 L780	L772-L782 HydrophobicContact CD1-CB 3.84Å; L772-L782 HydrophobicContact CD1-CD1 3.88Å; A777-L782 CarbonylContact C-O 3.47Å; A777-L782 WeakPolarHBondContact CB-O 3.47Å; A777-L782 PolarHBondContact O-N 3.34Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 HydrophobicContact CB-CB 4.5Å; L780-L782 HydrophobicContact CB-CD1 4.01Å; L780-L782 HydrophobicContact CB-CG 4.09Å
783	K	97.1	Very high	97.3	Very high	127 Å²	127	39.6 Å²	39.6	55%	0.552	24%	0.237	S	C	*	.			trans	-100.4	152.6	171.8	-66.5	-166.9	175.7	-161.4	0	111.4	L772	L772-K783 VanDerWaalsContact CD1-O 3.24Å; L772-K783 WeakPolarHBondContact CD1-O 3.36Å
784	S	98.3	Very high	97.2	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	23%	0.232	C	C	.	.			trans	-58.8	145.3	172.9	-175.9	0	0	0	0	110.3	L772 G786	L772-S784 PolarHBondContact O-OG 3.4Å; L772-S784 VanDerWaalsContact O-OG 3.07Å; S784-G786 PolarHBondContact OG-N 3.45Å
785	T	97.9	Very high	96.9	Very high	18 Å²	18	42.7 Å²	42.7	11%	0.11	24%	0.244	C	C	.	.			trans	-106.9	8.3	175.2	58.4	0	0	0	0	112.2	R759 W770 L772 H787	R759-T785 PolarHBondContact NE-O 3.24Å; W770-T785 PolarHBondContact O-OG1 2.89Å; L772-T785 HydrophobicContact CB-CG2 4.25Å; L772-T785 HydrophobicContact CD1-CG2 4.24Å; L772-T785 HydrophobicContact CG-CG2 4.3Å; L772-T785 PolarHBondContact N-OG1 2.8Å; L772-T785 PolarHBondContact O-N 3.12Å; L772-T785 VanDerWaalsContact O-N 3.11Å; T785-H787 PolarHBondContact O-CE1 3.46Å; T785-H787 PolarHBondContact O-ND1 2.91Å; T785-H787 PolarHBondContact OG1-ND1 3.23Å
786	G	97.8	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	77.9	37.2	178.5	0	0	0	0	0	113.7	D750 S784 H792	D750-G786 WeakPolarHBondContact CB-O 3.47Å; D750-G786 VanDerWaalsContact OD2-CA 3.26Å; D750-G786 WeakPolarHBondContact OD2-CA 3.22Å; S784-G786 PolarHBondContact OG-N 3.45Å; G786-H792 PolarHBondContact O-NE2 3.46Å
787	H	98.2	Very high	95.5	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.051	27%	0.266	C	S	.	.			trans	-115.2	16.3	-174.3	-73.4	71.5	0	0	0	113.5	E736 D750 L771 L772 T785 G789 G790	E736-H787 IonicContact OE1-CE1 3.79Å; E736-H787 PolarHBondContact OE1-CE1 3.03Å; E736-H787 IonicContact OE1-NE2 3.77Å; E736-H787 PolarHBondContact OE1-NE2 3.48Å; E736-H787 VanDerWaalsContact OE1-NE2 3.14Å; E736-H787 IonicContact OE2-CD2 3.29Å; E736-H787 IonicContact OE2-NE2 3.67Å; E736-H787 PolarHBondContact OE2-NE2 3.01Å; D750-H787 PolarHBondContact OD2-N 3.37Å; L771-H787 HydrophobicContact CB-CB 3.98Å; L771-H787 VanDerWaalsContact CD2-CD2 3.47Å; L771-H787 WeakPolarHBondContact CD2-CD2 3.38Å; L771-H787 VanDerWaalsContact CD2-NE2 3.3Å; L771-H787 WeakPolarHBondContact CD2-NE2 3.39Å; L772-H787 PolarHBondContact O-N 3.37Å; T785-H787 PolarHBondContact O-CE1 3.46Å; T785-H787 PolarHBondContact O-ND1 2.91Å; T785-H787 PolarHBondContact OG1-ND1 3.23Å; H787-G789 PolarHBondContact O-N 2.96Å; H787-G790 WeakPolarHBondContact CA-O 3.5Å; H787-G790 PolarHBondContact O-N 2.86Å; H787-G790 VanDerWaalsContact O-N 3.15Å
788	A	97.6	Very high	94.3	Very high	6 Å²	6	45.2 Å²	45.2	5%	0.05	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	121.7	169.9	0	0	0	0	0	110.2	D750 S751 E752 T773	D750-A788 HydrophobicContact CB-CB 4.28Å; D750-A788 WeakPolarHBondContact CB-O 3.44Å; D750-A788 WeakPolarHBondContact OD2-CB 3.44Å; D750-A788 PolarHBondContact OD2-N 3.5Å; S751-A788 WeakPolarHBondContact CB-O 3.34Å; S751-A788 PolarHBondContact N-O 3.47Å; S751-A788 PolarHBondContact OG-O 3.47Å; S751-A788 VanDerWaalsContact OG-O 3.14Å; E752-A788 HydrophobicContact CB-CB 4.02Å; E752-A788 HydrophobicContact CG-CB 3.54Å; T773-A788 HydrophobicContact CG2-CB 4.05Å
789	G	94.9	Very high	93.3	Very high	76 Å²	76	46.1 Å²	46.1	78%	0.784	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-3.2	-175.7	0	0	0	0	0	115.2	S751 H787	S751-G789 WeakPolarHBondContact OG-CA 3.37Å; H787-G789 PolarHBondContact O-N 2.96Å
790	G	95.6	Very high	92	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	29%	0.287	S	S	.	.			trans	128.5	-159.3	170.4	0	0	0	0	0	114.7	H787 H792	H787-G790 WeakPolarHBondContact CA-O 3.5Å; H787-G790 PolarHBondContact O-N 2.86Å; H787-G790 VanDerWaalsContact O-N 3.15Å; G790-H792 PolarHBondContact O-NE2 3.09Å
791	I	97	Very high	91.2	Very high	57 Å²	57	43.4 Å²	43.4	29%	0.292	28%	0.282	S	S	.	.			trans	-101.6	163.9	-177	58.8	158.4	0	0	0	111.8	V704 L771 W794	V704-I791 HydrophobicContact CG1-CG2 3.91Å; V704-I791 HydrophobicContact CG2-CD1 3.86Å; V704-I791 HydrophobicContact CG2-CG1 4.48Å; V704-I791 HydrophobicContact CG2-CG2 4.03Å; L771-I791 HydrophobicContact CD1-CG2 3.74Å; I791-W794 HydrophobicContact CB-CZ2 4.36Å; I791-W794 HydrophobicContact CD1-CB 4.33Å; I791-W794 HydrophobicContact CD1-CD2 3.68Å; I791-W794 HydrophobicContact CD1-CE3 4.17Å; I791-W794 HydrophobicContact CD1-CG 3.73Å; I791-W794 HydrophobicContact CG2-CD2 4.5Å; I791-W794 HydrophobicContact CG2-CH2 4.45Å; I791-W794 HydrophobicContact CG2-CZ2 3.55Å
792	H	96.7	Very high	90.5	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.032	25%	0.254	C	S	.	.			trans	-131.8	93.3	-168.2	-44.9	-67.7	0	0	0	113.6	E736 H737 P738 A745 T747 T756 G786 G790	E736-H792 HydrophobicContact CG-CB 4.11Å; E736-H792 WeakPolarHBondContact CG-O 3.47Å; E736-H792 IonicContact OE1-CD2 3.54Å; E736-H792 IonicContact OE2-CD2 3.62Å; E736-H792 PolarHBondContact OE2-N 3.09Å; H737-H792 CarbonylContact C-O 3.56Å; H737-H792 PolarHBondContact N-O 3.04Å; P738-H792 HydrophobicContact CB-CB 3.64Å; A745-H792 WeakPolarHBondContact O-CA 3.46Å; T747-H792 PolarHBondContact OG1-CE1 3.35Å; T747-H792 PolarHBondContact OG1-ND1 3.36Å; T756-H792 WeakPolarHBondContact CG2-NE2 3.44Å; G786-H792 PolarHBondContact O-NE2 3.46Å; G790-H792 PolarHBondContact O-NE2 3.09Å
793	N	95.2	Very high	89.9	Confident	23 Å²	23	41.1 Å²	41.1	12%	0.123	25%	0.251	C	S	.	.			trans	49.3	67.5	-177.8	-49.3	-57.2	0	0	0	113.3	H737 L740 A745 S746 R795	H737-N793 HydrophobicContact CB-CB 4.46Å; H737-N793 PolarHBondContact N-O 3.29Å; H737-N793 VanDerWaalsContact N-O 3.09Å; H737-N793 WeakPolarHBondContact O-CB 3.25Å; H737-N793 PolarHBondContact O-ND2 3.49Å; L740-N793 HydrophobicContact CD1-CB 3.93Å; A745-N793 VanDerWaalsContact C-OD1 3.29Å; A745-N793 WeakPolarHBondContact CA-OD1 3.3Å; A745-N793 WeakPolarHBondContact CB-OD1 3.4Å; A745-N793 PolarHBondContact N-OD1 3.45Å; S746-N793 VanDerWaalsContact CA-ND2 3.34Å; S746-N793 WeakPolarHBondContact CA-ND2 3.45Å; S746-N793 PolarHBondContact N-ND2 2.92Å; S746-N793 PolarHBondContact N-OD1 3.03Å; S746-N793 PolarHBondContact OG-ND2 3.46Å; N793-R795 PolarHBondContact O-N 3.14Å
794	W	95.2	Very high	89.4	Confident	39 Å²	39	41 Å²	41	15%	0.148	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.3	168	-75.4	15.1	0	0	0	110.1	L703 V704 I707 I734 E735 E736 I761 L771 I791	L703-W794 HydrophobicContact CD2-CZ3 4.3Å; V704-W794 HydrophobicContact CB-CH2 4.45Å; V704-W794 HydrophobicContact CG2-CE3 4.13Å; V704-W794 HydrophobicContact CG2-CH2 3.44Å; V704-W794 VanDerWaalsContact CG2-CH2 3.44Å; V704-W794 HydrophobicContact CG2-CZ2 3.99Å; V704-W794 HydrophobicContact CG2-CZ3 3.52Å; I707-W794 HydrophobicContact CD1-CH2 4.01Å; I707-W794 HydrophobicContact CD1-CZ2 4.47Å; I734-W794 HydrophobicContact CD1-CE3 4.4Å; I734-W794 HydrophobicContact CD1-CZ3 4.32Å; I734-W794 HydrophobicContact CG2-CB 4.03Å; I734-W794 HydrophobicContact CG2-CD2 3.69Å; I734-W794 HydrophobicContact CG2-CE3 3.52Å; I734-W794 HydrophobicContact CG2-CG 3.95Å; I734-W794 HydrophobicContact CG2-CZ3 4.18Å; E735-W794 CarbonylContact O-C 3.55Å; E735-W794 VanDerWaalsContact O-CA 3.28Å; E735-W794 WeakPolarHBondContact O-CA 3.22Å; E736-W794 PolarHBondContact OE2-NE1 3.33Å; I761-W794 HydrophobicContact CB-CZ2 4.2Å; I761-W794 HydrophobicContact CD1-CZ2 4.46Å; I761-W794 HydrophobicContact CG1-CZ2 3.83Å; I761-W794 HydrophobicContact CG2-CH2 3.8Å; I761-W794 HydrophobicContact CG2-CZ2 3.67Å; L771-W794 HydrophobicContact CD1-CH2 4.19Å; L771-W794 HydrophobicContact CD1-CZ2 3.86Å; L771-W794 HydrophobicContact CD2-CZ2 3.91Å; I791-W794 HydrophobicContact CB-CZ2 4.36Å; I791-W794 HydrophobicContact CD1-CB 4.33Å; I791-W794 HydrophobicContact CD1-CD2 3.68Å; I791-W794 HydrophobicContact CD1-CE3 4.17Å; I791-W794 HydrophobicContact CD1-CG 3.73Å; I791-W794 HydrophobicContact CG2-CD2 4.5Å; I791-W794 HydrophobicContact CG2-CH2 4.45Å; I791-W794 HydrophobicContact CG2-CZ2 3.55Å
795	R	91.8	Very high	88.9	Confident	69 Å²	69	44.1 Å²	44.1	26%	0.26	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.1	174	-69.3	-155.5	169.1	-147	-13.4	109.8	E735 N793 E871 E875	E735-R795 PolarHBondContact N-O 3.36Å; E735-R795 PolarHBondContact O-N 3.39Å; N793-R795 PolarHBondContact O-N 3.14Å; R795-E871 IonicContact CZ-OE2 3.86Å; R795-E871 IonicContact NH1-OE2 2.72Å; R795-E871 IonicContact NH2-OE2 3.76Å; R795-E871 PolarHBondContact NH2-OE2 3.38Å; R795-E871 VanDerWaalsContact NH2-OE2 3.07Å; R795-E875 IonicContact NH1-OE2 2.87Å; R795-E875 PolarHBondContact NH1-OE2 2.9Å
796	I	87.2	Confident	88.5	Confident	37 Å²	37	44 Å²	44	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	112.4	-176.9	-50.4	-177.3	0	0	0	105.7	F700 L732 I734 G798 F866	F700-I796 HydrophobicContact CD1-CD1 3.7Å; F700-I796 HydrophobicContact CD2-CD1 3.82Å; F700-I796 HydrophobicContact CE1-CD1 3.3Å; F700-I796 HydrophobicContact CE2-CD1 3.42Å; F700-I796 VanDerWaalsContact CE2-CD1 3.42Å; F700-I796 HydrophobicContact CG-CD1 3.93Å; F700-I796 HydrophobicContact CZ-CD1 3.12Å; L732-I796 HydrophobicContact CD2-CG2 4.44Å; L732-I796 HydrophobicContact CG-CG2 4.42Å; I734-I796 HydrophobicContact CD1-CD1 4.17Å; I734-I796 HydrophobicContact CG1-CD1 4.06Å; I734-I796 HydrophobicContact CG1-CG1 4.07Å; I734-I796 HydrophobicContact CG2-CG1 4.28Å; I796-G798 PolarHBondContact O-N 2.94Å; I796-F866 HydrophobicContact CG2-CD2 3.74Å; I796-F866 HydrophobicContact CG2-CE2 3.73Å
797	A	79.5	Confident	88.2	Confident	66 Å²	66	44.5 Å²	44.5	55%	0.545	27%	0.267	S	S	.	.			trans	-68.4	134	178.9	0	0	0	0	0	110.4
798	G	73	Confident	88	Confident	22 Å²	22	50.5 Å²	50.5	23%	0.227	29%	0.293	C	S	.	.			trans	-65.4	169.3	169	0	0	0	0	0	113	I796	I796-G798 PolarHBondContact O-N 2.94Å
799	Q	77	Confident	87.7	Confident	80 Å²	80	56.4 Å²	56.4	37%	0.374	32%	0.32	S	S	.	.			trans	-88.7	11.3	171.3	-66.2	-169.2	-51.3	0	0	112.9	W731 L801 S865 F866	W731-Q799 VanDerWaalsContact CD1-NE2 3.33Å; W731-Q799 HydrophobicContact CD2-CG 3.91Å; W731-Q799 HydrophobicContact CE3-CG 3.47Å; W731-Q799 VanDerWaalsContact CE3-CG 3.47Å; W731-Q799 HydrophobicContact CH2-CG 4.24Å; W731-Q799 HydrophobicContact CZ3-CG 3.63Å; Q799-L801 VanDerWaalsContact C-N 3.28Å; Q799-L801 PolarHBondContact O-N 3.15Å; Q799-S865 PolarHBondContact OE1-OG 2.94Å; Q799-F866 PolarHBondContact N-O 3.14Å; Q799-F866 VanDerWaalsContact N-O 3.16Å
800	G	71.8	Confident	87.5	Confident	44 Å²	44	54 Å²	54	45%	0.454	29%	0.289	S	S	.	.	S	Bend	trans	75	13	-177.2	0	0	0	0	0	114.5
801	L	80.6	Confident	87.5	Confident	35 Å²	35	53.5 Å²	53.5	18%	0.183	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-84.8	139.4	172.5	-63.5	174.4	0	0	0	109.8	Q799 Q805 M806 E809 A867 A868	Q799-L801 VanDerWaalsContact C-N 3.28Å; Q799-L801 PolarHBondContact O-N 3.15Å; L801-Q805 HydrophobicContact CB-CB 4.26Å; L801-Q805 HydrophobicContact CD2-CB 4.14Å; L801-M806 HydrophobicContact CB-CG 3.87Å; L801-M806 HydrophobicContact CD1-CG 4.2Å; L801-E809 WeakPolarHBondContact CD1-OE2 3.4Å; L801-A867 CarbonylContact O-C 3.54Å; L801-A867 WeakPolarHBondContact O-CA 2.96Å; L801-A867 VanDerWaalsContact O-CB 3.29Å; L801-A867 WeakPolarHBondContact O-CB 3.15Å; L801-A868 PolarHBondContact O-N 3.19Å
802	S	80.8	Confident	87.5	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	29%	0.289	C	S	.	.			trans	-76.4	164.6	166.1	80.4	0	0	0	0	111	E804 Q805 M806 D906	S802-E804 VanDerWaalsContact C-N 3.29Å; S802-E804 PolarHBondContact O-N 3.48Å; S802-Q805 WeakPolarHBondContact O-CB 3.4Å; S802-Q805 PolarHBondContact O-N 3.38Å; S802-Q805 WeakPolarHBondContact OG-CG 3.37Å; S802-Q805 PolarHBondContact OG-N 3.22Å; S802-M806 WeakPolarHBondContact O-CG 3.36Å; S802-M806 PolarHBondContact O-N 3.34Å; S802-D906 WeakPolarHBondContact CB-OD1 3.5Å
803	F	84.9	Confident	87.5	Confident	86 Å²	86	53.6 Å²	53.6	38%	0.377	29%	0.287	S	S	.	.	H	α-helix	trans	-54	-46.6	174	179.2	-115.9	0	0	0	112	I690 Q805 M806 L807 V815 I845	I690-F803 HydrophobicContact CG2-CE2 4.42Å; F803-Q805 VanDerWaalsContact C-N 3.31Å; F803-Q805 PolarHBondContact O-N 2.86Å; F803-M806 HydrophobicContact CD2-CE 3.95Å; F803-M806 WeakPolarHBondContact O-CB 3.28Å; F803-M806 PolarHBondContact O-N 3.38Å; F803-L807 HydrophobicContact CD1-CD1 4.32Å; F803-L807 HydrophobicContact CE1-CD1 3.84Å; F803-L807 HydrophobicContact CE1-CD2 4.44Å; F803-L807 HydrophobicContact CE1-CG 4.27Å; F803-L807 HydrophobicContact CE2-CD2 3.98Å; F803-L807 HydrophobicContact CE2-CG 4.42Å; F803-L807 HydrophobicContact CZ-CD1 4.08Å; F803-L807 HydrophobicContact CZ-CD2 3.89Å; F803-L807 HydrophobicContact CZ-CG 4.19Å; F803-L807 WeakPolarHBondContact O-CG 3.4Å; F803-L807 PolarHBondContact O-N 3.23Å; F803-V815 HydrophobicContact CE2-CG1 4.19Å; F803-V815 HydrophobicContact CE2-CG2 4.32Å; F803-V815 HydrophobicContact CZ-CG1 4.14Å; F803-V815 HydrophobicContact CZ-CG2 4.17Å; F803-I845 HydrophobicContact CE1-CD1 4.06Å; F803-I845 HydrophobicContact CZ-CD1 4.21Å
804	E	86.6	Confident	87.5	Confident	125 Å²	125	52.9 Å²	52.9	58%	0.584	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-37.3	176	-66.6	-176.6	177.2	0	0	113.1	S802 L807 K808	S802-E804 VanDerWaalsContact C-N 3.29Å; S802-E804 PolarHBondContact O-N 3.48Å; E804-L807 PolarHBondContact O-N 2.93Å; E804-K808 WeakPolarHBondContact O-CG 3.41Å; E804-K808 PolarHBondContact O-N 2.65Å
805	Q	88.4	Confident	87.6	Confident	75 Å²	75	51.1 Å²	51.1	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-39.8	176.8	-72.9	173	-27.8	0	0	111.4	L801 S802 F803 L807 K808 E809	L801-Q805 HydrophobicContact CB-CB 4.26Å; L801-Q805 HydrophobicContact CD2-CB 4.14Å; S802-Q805 WeakPolarHBondContact O-CB 3.4Å; S802-Q805 PolarHBondContact O-N 3.38Å; S802-Q805 WeakPolarHBondContact OG-CG 3.37Å; S802-Q805 PolarHBondContact OG-N 3.22Å; F803-Q805 VanDerWaalsContact C-N 3.31Å; F803-Q805 PolarHBondContact O-N 2.86Å; Q805-L807 VanDerWaalsContact C-N 3.31Å; Q805-L807 PolarHBondContact O-N 3.49Å; Q805-K808 PolarHBondContact O-N 3.32Å; Q805-E809 PolarHBondContact O-N 3.16Å
806	M	88.7	Confident	87.7	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-39.2	173.1	-65	-164	-52.3	0	0	111.8	I690 L801 S802 F803 E809 M810 A867	I690-M806 HydrophobicContact CD1-CB 3.92Å; I690-M806 HydrophobicContact CG2-CE 4Å; L801-M806 HydrophobicContact CB-CG 3.87Å; L801-M806 HydrophobicContact CD1-CG 4.2Å; S802-M806 WeakPolarHBondContact O-CG 3.36Å; S802-M806 PolarHBondContact O-N 3.34Å; F803-M806 HydrophobicContact CD2-CE 3.95Å; F803-M806 WeakPolarHBondContact O-CB 3.28Å; F803-M806 PolarHBondContact O-N 3.38Å; M806-E809 PolarHBondContact O-N 2.95Å; M806-M810 VanDerWaalsContact O-CB 3.32Å; M806-M810 WeakPolarHBondContact O-CB 3.29Å; M806-M810 PolarHBondContact O-N 3.23Å; M806-A867 HydrophobicContact CE-CB 3.38Å; M806-A867 HydrophobicContact CG-CB 4.32Å; M806-A867 HydrophobicContact SD-CB 3.69Å; M806-A867 PolarHBondContact SD-N 3.42Å
807	L	92.2	Very high	88	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-46.1	174.4	-61.7	-171.8	0	0	0	111	I690 F803 E804 Q805 E809 M810 G811 V815 V840 G843 I845	I690-L807 HydrophobicContact CD1-CD2 3.98Å; F803-L807 HydrophobicContact CD1-CD1 4.32Å; F803-L807 HydrophobicContact CE1-CD1 3.84Å; F803-L807 HydrophobicContact CE1-CD2 4.44Å; F803-L807 HydrophobicContact CE1-CG 4.27Å; F803-L807 HydrophobicContact CE2-CD2 3.98Å; F803-L807 HydrophobicContact CE2-CG 4.42Å; F803-L807 HydrophobicContact CZ-CD1 4.08Å; F803-L807 HydrophobicContact CZ-CD2 3.89Å; F803-L807 HydrophobicContact CZ-CG 4.19Å; F803-L807 WeakPolarHBondContact O-CG 3.4Å; F803-L807 PolarHBondContact O-N 3.23Å; E804-L807 PolarHBondContact O-N 2.93Å; Q805-L807 VanDerWaalsContact C-N 3.31Å; Q805-L807 PolarHBondContact O-N 3.49Å; L807-E809 VanDerWaalsContact C-N 3.34Å; L807-E809 PolarHBondContact O-N 3.32Å; L807-M810 HydrophobicContact CD2-CE 3.96Å; L807-M810 WeakPolarHBondContact O-CB 3.42Å; L807-M810 PolarHBondContact O-N 3.32Å; L807-G811 PolarHBondContact O-N 2.97Å; L807-V815 HydrophobicContact CD2-CG2 3.54Å; L807-V840 HydrophobicContact CB-CG1 4.46Å; L807-V840 HydrophobicContact CD2-CG2 4.14Å; L807-G843 VanDerWaalsContact CB-O 3.24Å; L807-G843 WeakPolarHBondContact CB-O 3.26Å; L807-G843 WeakPolarHBondContact O-CA 3.35Å; L807-I845 HydrophobicContact CD1-CD1 4.18Å; L807-I845 HydrophobicContact CD1-CG1 3.95Å
808	K	93.4	Very high	88.6	Confident	137 Å²	137	47.3 Å²	47.3	60%	0.596	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-41	177.2	-73.5	173.2	-178.5	169.5	0	112.8	E804 Q805 G811	E804-K808 WeakPolarHBondContact O-CG 3.41Å; E804-K808 PolarHBondContact O-N 2.65Å; Q805-K808 PolarHBondContact O-N 3.32Å; K808-G811 PolarHBondContact O-N 2.96Å
809	E	90.8	Very high	89.5	Confident	131 Å²	131	47.4 Å²	47.4	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-39.3	176	-174.2	170	175.6	0	0	112.1	L801 Q805 M806 L807 G811	L801-E809 WeakPolarHBondContact CD1-OE2 3.4Å; Q805-E809 PolarHBondContact O-N 3.16Å; M806-E809 PolarHBondContact O-N 2.95Å; L807-E809 VanDerWaalsContact C-N 3.34Å; L807-E809 PolarHBondContact O-N 3.32Å; E809-G811 VanDerWaalsContact C-N 3.29Å; E809-G811 PolarHBondContact O-N 3.11Å
810	M	91.7	Very high	90	Very high	25 Å²	25	48.8 Å²	48.8	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-37.3	174.8	179.8	172.8	65.5	0	0	112.2	P688 I690 M806 L807 T812 V815 V840	P688-M810 HydrophobicContact CB-CG 3.81Å; P688-M810 HydrophobicContact CB-SD 4.28Å; P688-M810 HydrophobicContact CG-CG 4.39Å; I690-M810 HydrophobicContact CD1-CB 4Å; I690-M810 HydrophobicContact CD1-CE 3.92Å; I690-M810 HydrophobicContact CD1-CG 4.44Å; I690-M810 HydrophobicContact CD1-SD 3.71Å; I690-M810 HydrophobicContact CG1-SD 3.85Å; M806-M810 VanDerWaalsContact O-CB 3.32Å; M806-M810 WeakPolarHBondContact O-CB 3.29Å; M806-M810 PolarHBondContact O-N 3.23Å; L807-M810 HydrophobicContact CD2-CE 3.96Å; L807-M810 WeakPolarHBondContact O-CB 3.42Å; L807-M810 PolarHBondContact O-N 3.32Å; M810-T812 PolarHBondContact O-N 2.92Å; M810-V815 HydrophobicContact CE-CG2 4.29Å; M810-V840 HydrophobicContact CE-CB 3.39Å; M810-V840 HydrophobicContact CE-CG1 3.54Å; M810-V840 HydrophobicContact CE-CG2 3.56Å
811	G	95.2	Very high	90.7	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	26%	0.259	C	S	.	.			trans	69.4	-71	-178.4	0	0	0	0	0	112.5	L807 K808 E809 E841 N842 G843	L807-G811 PolarHBondContact O-N 2.97Å; K808-G811 PolarHBondContact O-N 2.96Å; E809-G811 VanDerWaalsContact C-N 3.29Å; E809-G811 PolarHBondContact O-N 3.11Å; G811-E841 CarbonylContact O-C 3.52Å; G811-N842 CarbonylContact O-C 3.55Å; G811-N842 WeakPolarHBondContact O-CA 3.38Å; G811-N842 PolarHBondContact O-N 2.83Å; G811-G843 PolarHBondContact O-N 2.88Å
812	T	97.1	Very high	90.6	Very high	66 Å²	66	56.1 Å²	56.1	41%	0.405	29%	0.291	S	S	.	.	S	Bend	trans	-135.3	127.2	175	-61	0	0	0	0	109.9	P688 M810 W839 V840 E841	P688-T812 WeakPolarHBondContact CD-O 3.24Å; M810-T812 PolarHBondContact O-N 2.92Å; T812-W839 HydrophobicContact CG2-CH2 4.4Å; T812-W839 HydrophobicContact CG2-CZ2 3.69Å; T812-V840 VanDerWaalsContact CA-O 3.25Å; T812-V840 WeakPolarHBondContact CA-O 3.45Å; T812-V840 WeakPolarHBondContact CG2-O 3.29Å; T812-E841 HydrophobicContact CG2-CG 4.34Å
813	G	96.2	Very high	90.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-161.6	-176.4	0	0	0	0	0	113.6	P688 V840	P688-G813 WeakPolarHBondContact O-CA 3.24Å; G813-V840 PolarHBondContact N-O 3.12Å; G813-V840 PolarHBondContact O-N 3.46Å
814	L	95.9	Very high	90.4	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.5	-173.9	179.9	72.5	0	0	0	110.6	L682 P688 V689 I690 V816 W839 V849 I852 I854	L682-L814 HydrophobicContact CD1-CD1 4.25Å; P688-L814 PolarHBondContact O-N 3.32Å; V689-L814 CarbonylContact C-O 3.52Å; V689-L814 VanDerWaalsContact CA-O 3.28Å; V689-L814 WeakPolarHBondContact CA-O 3.4Å; V689-L814 HydrophobicContact CG2-CB 4.46Å; I690-L814 PolarHBondContact N-O 3.46Å; L814-V816 HydrophobicContact CD2-CG2 3.67Å; L814-V816 HydrophobicContact CG-CG2 3.99Å; L814-W839 HydrophobicContact CB-CE3 4.36Å; L814-W839 HydrophobicContact CB-CZ3 4.28Å; L814-W839 HydrophobicContact CD1-CE3 4.45Å; L814-V849 HydrophobicContact CD1-CB 4.41Å; L814-V849 HydrophobicContact CD1-CG1 4.44Å; L814-I852 HydrophobicContact CD1-CD1 3.89Å; L814-I852 HydrophobicContact CD2-CD1 3.44Å; L814-I852 VanDerWaalsContact CD2-CD1 3.44Å; L814-I852 HydrophobicContact CG-CD1 4.33Å; L814-I854 HydrophobicContact CD2-CG2 3.93Å
815	V	95.8	Very high	90.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.5	162.5	178.4	0	0	0	0	107.8	I690 F803 L807 M810 T817 G837 F838 V840	I690-V815 HydrophobicContact CB-CG2 4.28Å; I690-V815 CarbonylContact O-C 3.59Å; I690-V815 VanDerWaalsContact O-CA 3.29Å; I690-V815 WeakPolarHBondContact O-CA 3.11Å; F803-V815 HydrophobicContact CE2-CG1 4.19Å; F803-V815 HydrophobicContact CE2-CG2 4.32Å; F803-V815 HydrophobicContact CZ-CG1 4.14Å; F803-V815 HydrophobicContact CZ-CG2 4.17Å; L807-V815 HydrophobicContact CD2-CG2 3.54Å; M810-V815 HydrophobicContact CE-CG2 4.29Å; V815-T817 HydrophobicContact CG1-CG2 4.22Å; V815-G837 CarbonylContact O-C 3.5Å; V815-G837 VanDerWaalsContact O-CA 3.24Å; V815-G837 WeakPolarHBondContact O-CA 3.28Å; V815-F838 HydrophobicContact CB-CB 4.33Å; V815-F838 PolarHBondContact N-O 3.05Å; V815-F838 PolarHBondContact O-N 3.11Å; V815-V840 HydrophobicContact CG2-CG2 3.8Å
816	V	94.8	Very high	90	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.8	178.7	176.2	0	0	0	0	109.2	V689 I690 F691 A692 V695 L814 E818 L819 A835 I854	V689-V816 HydrophobicContact CG1-CB 4.46Å; V689-V816 HydrophobicContact CG1-CG2 3.54Å; I690-V816 PolarHBondContact O-N 2.87Å; F691-V816 HydrophobicContact CD1-CB 4.07Å; F691-V816 HydrophobicContact CD1-CG1 4.14Å; F691-V816 HydrophobicContact CE1-CB 4.4Å; F691-V816 HydrophobicContact CE1-CG1 4.33Å; A692-V816 WeakPolarHBondContact CB-O 3.21Å; A692-V816 PolarHBondContact N-O 3.24Å; V695-V816 HydrophobicContact CG1-CG1 4.23Å; L814-V816 HydrophobicContact CD2-CG2 3.67Å; L814-V816 HydrophobicContact CG-CG2 3.99Å; V816-E818 WeakPolarHBondContact CG1-O 3.22Å; V816-L819 HydrophobicContact CG1-CD2 3.82Å; V816-L819 HydrophobicContact CG1-CG 4Å; V816-A835 HydrophobicContact CG1-CB 4.2Å; V816-I854 HydrophobicContact CG2-CD1 4.41Å; V816-I854 HydrophobicContact CG2-CG2 4.47Å
817	T	92.7	Very high	89.8	Confident	38 Å²	38	55.2 Å²	55.2	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-9.4	179.3	60.8	0	0	0	0	113.1	A692 V695 V815 A836 G837 F838	A692-T817 HydrophobicContact CB-CG2 4.11Å; V695-T817 WeakPolarHBondContact CG2-O 3.45Å; V815-T817 HydrophobicContact CG1-CG2 4.22Å; T817-A836 PolarHBondContact N-O 2.8Å; T817-G837 VanDerWaalsContact OG1-CA 3.32Å; T817-G837 WeakPolarHBondContact OG1-CA 3.1Å; T817-F838 HydrophobicContact CG2-CD2 3.9Å; T817-F838 HydrophobicContact CG2-CE2 3.86Å
818	E	92.2	Very high	89.2	Confident	55 Å²	55	58 Å²	58	26%	0.257	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.3	172.6	-171.6	179.1	172.2	0	0	111.1	R676 V816 M820 A835 A836	R676-E818 IonicContact CZ-OE2 2.74Å; R676-E818 IonicContact NH1-OE2 2.73Å; R676-E818 PolarHBondContact NH1-OE2 2.99Å; R676-E818 IonicContact NH2-OE2 3.97Å; R676-E818 PolarHBondContact NH2-OE2 3Å; V816-E818 WeakPolarHBondContact CG1-O 3.22Å; E818-M820 HydrophobicContact CG-CG 4.48Å; E818-A835 VanDerWaalsContact O-CA 3.29Å; E818-A835 WeakPolarHBondContact O-CA 3.49Å; E818-A836 HydrophobicContact CB-CB 4.23Å; E818-A836 PolarHBondContact N-O 2.86Å; E818-A836 VanDerWaalsContact N-O 3.13Å; E818-A836 PolarHBondContact O-N 3.23Å
819	L	92.2	Very high	88.7	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.12	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.1	173.3	-69	170.3	0	0	0	111.8	F691 V695 V816 Y831 R833 G834 A835 I854	F691-L819 HydrophobicContact CE1-CD1 4.28Å; V695-L819 HydrophobicContact CG1-CB 4.3Å; V695-L819 HydrophobicContact CG1-CD1 3.22Å; V695-L819 HydrophobicContact CG1-CG 3.46Å; V695-L819 VanDerWaalsContact CG1-CG 3.46Å; V816-L819 HydrophobicContact CG1-CD2 3.82Å; V816-L819 HydrophobicContact CG1-CG 4Å; L819-Y831 WeakPolarHBondContact CD1-OH 3.07Å; L819-R833 VanDerWaalsContact CB-CZ 3.46Å; L819-R833 VanDerWaalsContact CB-NH1 3.31Å; L819-R833 HydrophobicContact CD2-CB 4.12Å; L819-R833 PolarHBondContact O-NH2 2.99Å; L819-R833 VanDerWaalsContact O-NH2 3.08Å; L819-G834 CarbonylContact C-O 3.59Å; L819-G834 WeakPolarHBondContact CA-O 3.2Å; L819-A835 HydrophobicContact CD2-CB 3.95Å; L819-I854 HydrophobicContact CD2-CD1 3.66Å; L819-I854 HydrophobicContact CD2-CG1 4.2Å
820	M	88.2	Confident	88.3	Confident	109 Å²	109	48.9 Å²	48.9	54%	0.537	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.1	-175.6	-53.5	178.4	94.9	0	0	111.5	E818 R833 G834	E818-M820 HydrophobicContact CG-CG 4.48Å; M820-R833 WeakPolarHBondContact O-CB 3.39Å; M820-G834 PolarHBondContact N-O 3.5Å; M820-G834 PolarHBondContact O-N 3.48Å
821	G	85.5	Confident	88	Confident	51 Å²	51	48 Å²	48	53%	0.526	29%	0.291	S	S	.	.	S	Bend	trans	80.6	-180	177.1	0	0	0	0	0	115.3	R833	G821-R833 PolarHBondContact O-NE 3.27Å; G821-R833 PolarHBondContact O-NH2 3.13Å; G821-R833 VanDerWaalsContact O-NH2 3.1Å
822	Q	80	Confident	87.7	Confident	182 Å²	182	49.3 Å²	49.3	85%	0.85	30%	0.296	S	S	*	.			trans	-117.1	21.3	-167.9	-68.2	-70.4	-20.8	0	0	113.9	V824	Q822-V824 PolarHBondContact O-N 2.89Å
823	G	78.5	Confident	87.5	Confident	39 Å²	39	48.3 Å²	48.3	40%	0.402	29%	0.285	S	S	.	.			trans	-78.5	45.6	-167.7	0	0	0	0	0	115.8	S832	G823-S832 CarbonylContact C-O 3.58Å; G823-S832 WeakPolarHBondContact CA-O 3.42Å; G823-S832 PolarHBondContact O-N 3.23Å; G823-S832 VanDerWaalsContact O-O 3.07Å
824	V	82.6	Confident	87.3	Confident	36 Å²	36	49.4 Å²	49.4	22%	0.218	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-111.9	120.2	174.9	-173.7	0	0	0	0	110	H702 Q822 D830 Y831 R833 L859	H702-V824 HydrophobicContact CB-CG1 4.45Å; Q822-V824 PolarHBondContact O-N 2.89Å; V824-D830 WeakPolarHBondContact CA-O 3.4Å; V824-Y831 HydrophobicContact CB-CD2 4.33Å; V824-Y831 HydrophobicContact CG1-CD2 4.08Å; V824-Y831 HydrophobicContact CG2-CD2 3.37Å; V824-Y831 HydrophobicContact CG2-CE2 3.5Å; V824-Y831 HydrophobicContact CG2-CG 4.25Å; V824-R833 HydrophobicContact CG2-CG 4.31Å; V824-L859 HydrophobicContact CG1-CD1 3.65Å
825	S	84.2	Confident	87.2	Confident	41 Å²	41	49.2 Å²	49.2	29%	0.287	30%	0.296	S	S	.	.			trans	-89.9	113.5	179.4	173.2	0	0	0	0	110.8	I827 T828 G829 D830	S825-I827 PolarHBondContact O-N 3.16Å; S825-I827 PolarHBondContact OG-N 3.25Å; S825-T828 WeakPolarHBondContact CB-OG1 3.43Å; S825-T828 PolarHBondContact OG-N 3.2Å; S825-T828 VanDerWaalsContact OG-N 3.16Å; S825-T828 PolarHBondContact OG-OG1 3.42Å; S825-G829 VanDerWaalsContact O-CA 3.28Å; S825-G829 WeakPolarHBondContact O-CA 3.41Å; S825-G829 PolarHBondContact O-N 3.46Å; S825-D830 PolarHBondContact N-O 3.04Å
826	A	83.3	Confident	87.1	Confident	59 Å²	59	49.4 Å²	49.4	49%	0.488	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.1	175	0	0	0	0	0	113.2	T717 F718	T717-A826 CarbonylContact C-O 3.56Å; T717-A826 VanDerWaalsContact CA-O 3.24Å; T717-A826 WeakPolarHBondContact CA-O 3.46Å; F718-A826 WeakPolarHBondContact CD1-O 3.45Å; F718-A826 PolarHBondContact N-O 3.25Å
827	I	83.6	Confident	87.2	Confident	126 Å²	126	49.6 Å²	49.6	65%	0.646	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-40.9	-176.7	-61.4	175.6	0	0	0	111.4	F718 S825	F718-I827 WeakPolarHBondContact CA-O 3.38Å; F718-I827 WeakPolarHBondContact CB-O 3.36Å; S825-I827 PolarHBondContact O-N 3.16Å; S825-I827 PolarHBondContact OG-N 3.25Å
828	T	80	Confident	87.4	Confident	68 Å²	68	49 Å²	49	42%	0.417	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-20.4	-174.2	58.6	0	0	0	0	113.1	S825 D830	S825-T828 WeakPolarHBondContact CB-OG1 3.43Å; S825-T828 PolarHBondContact OG-N 3.2Å; S825-T828 VanDerWaalsContact OG-N 3.16Å; S825-T828 PolarHBondContact OG-OG1 3.42Å; T828-D830 VanDerWaalsContact CB-OD2 3.3Å; T828-D830 WeakPolarHBondContact CB-OD2 3.25Å; T828-D830 PolarHBondContact O-N 2.92Å; T828-D830 VanDerWaalsContact OG1-CG 3.25Å; T828-D830 PolarHBondContact OG1-N 2.83Å; T828-D830 PolarHBondContact OG1-OD2 2.77Å
829	G	82.5	Confident	87.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.284	C	S	.	.			trans	77.9	3.7	-172.3	0	0	0	0	0	113.5	S825 Y831 S858 L859	S825-G829 VanDerWaalsContact O-CA 3.28Å; S825-G829 WeakPolarHBondContact O-CA 3.41Å; S825-G829 PolarHBondContact O-N 3.46Å; G829-Y831 PolarHBondContact O-N 2.8Å; G829-S858 CarbonylContact O-C 3.55Å; G829-S858 WeakPolarHBondContact O-CA 3.46Å; G829-L859 PolarHBondContact O-N 2.88Å
830	D	83.1	Confident	87.9	Confident	76 Å²	76	46 Å²	46	41%	0.406	28%	0.278	S	S	.	.			trans	-59.4	131.5	174.7	-67.8	-47.6	0	0	0	109.8	V824 S825 T828 S857	V824-D830 WeakPolarHBondContact CA-O 3.4Å; S825-D830 PolarHBondContact N-O 3.04Å; T828-D830 VanDerWaalsContact CB-OD2 3.3Å; T828-D830 WeakPolarHBondContact CB-OD2 3.25Å; T828-D830 PolarHBondContact O-N 2.92Å; T828-D830 VanDerWaalsContact OG1-CG 3.25Å; T828-D830 PolarHBondContact OG1-N 2.83Å; T828-D830 PolarHBondContact OG1-OD2 2.77Å; D830-S857 VanDerWaalsContact OD1-O 3.1Å
831	Y	85.3	Confident	88.4	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.3	-178.3	-171.1	-86.4	0	0	0	109.2	L699 H702 L819 V824 G829 R833 I854 A855 V856 L859	L699-Y831 HydrophobicContact CD2-CE1 4.48Å; L699-Y831 HydrophobicContact CD2-CE2 3.77Å; H702-Y831 AromaticContact CD2-CE2 3.71Å; H702-Y831 AromaticContact NE2-CE2 3.77Å; L819-Y831 WeakPolarHBondContact CD1-OH 3.07Å; V824-Y831 HydrophobicContact CB-CD2 4.33Å; V824-Y831 HydrophobicContact CG1-CD2 4.08Å; V824-Y831 HydrophobicContact CG2-CD2 3.37Å; V824-Y831 HydrophobicContact CG2-CE2 3.5Å; V824-Y831 HydrophobicContact CG2-CG 4.25Å; G829-Y831 PolarHBondContact O-N 2.8Å; Y831-R833 HydrophobicContact CE1-CB 4.32Å; Y831-R833 HydrophobicContact CE1-CG 4.11Å; Y831-R833 WeakPolarHBondContact OH-CD 3.46Å; Y831-I854 HydrophobicContact CE1-CD1 3.97Å; Y831-I854 HydrophobicContact CE1-CG1 4.21Å; Y831-A855 CarbonylContact O-C 3.57Å; Y831-A855 WeakPolarHBondContact O-CA 3.45Å; Y831-V856 PolarHBondContact N-O 3.36Å; Y831-V856 PolarHBondContact O-N 2.83Å; Y831-L859 HydrophobicContact CD2-CD1 3.57Å; Y831-L859 HydrophobicContact CD2-CD2 4.11Å; Y831-L859 HydrophobicContact CD2-CG 3.76Å; Y831-L859 HydrophobicContact CE2-CD1 4.31Å; Y831-L859 HydrophobicContact CE2-CD2 4.46Å; Y831-L859 HydrophobicContact CG-CD1 4.41Å; Y831-L859 HydrophobicContact CG-CG 4.27Å
832	S	88.9	Confident	88.9	Confident	50 Å²	50	48.6 Å²	48.6	35%	0.35	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	120	172.4	-173	0	0	0	0	110.9	G823 T853 I854	G823-S832 CarbonylContact C-O 3.58Å; G823-S832 WeakPolarHBondContact CA-O 3.42Å; G823-S832 PolarHBondContact O-N 3.23Å; G823-S832 VanDerWaalsContact O-O 3.07Å; S832-T853 WeakPolarHBondContact OG-CG2 3.48Å; S832-I854 VanDerWaalsContact CA-O 3.28Å; S832-I854 WeakPolarHBondContact CA-O 3.34Å
833	R	91.3	Very high	89.5	Confident	45 Å²	45	40.2 Å²	40.2	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.6	-178.8	-65.3	-171.1	74.8	-157.5	-6.9	110.2	L819 M820 G821 V824 Y831 T853 I854	L819-R833 VanDerWaalsContact CB-CZ 3.46Å; L819-R833 VanDerWaalsContact CB-NH1 3.31Å; L819-R833 HydrophobicContact CD2-CB 4.12Å; L819-R833 PolarHBondContact O-NH2 2.99Å; L819-R833 VanDerWaalsContact O-NH2 3.08Å; M820-R833 WeakPolarHBondContact O-CB 3.39Å; G821-R833 PolarHBondContact O-NE 3.27Å; G821-R833 PolarHBondContact O-NH2 3.13Å; G821-R833 VanDerWaalsContact O-NH2 3.1Å; V824-R833 HydrophobicContact CG2-CG 4.31Å; Y831-R833 HydrophobicContact CE1-CB 4.32Å; Y831-R833 HydrophobicContact CE1-CG 4.11Å; Y831-R833 WeakPolarHBondContact OH-CD 3.46Å; R833-T853 WeakPolarHBondContact O-CA 3.44Å; R833-T853 WeakPolarHBondContact O-CG2 3.36Å; R833-I854 PolarHBondContact N-O 3.09Å; R833-I854 VanDerWaalsContact N-O 3.08Å; R833-I854 PolarHBondContact O-N 3.06Å
834	G	93	Very high	90.4	Very high	22 Å²	22	44.7 Å²	44.7	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	144.4	164.9	0	0	0	0	0	108.5	L819 M820 I852	L819-G834 CarbonylContact C-O 3.59Å; L819-G834 WeakPolarHBondContact CA-O 3.2Å; M820-G834 PolarHBondContact N-O 3.5Å; M820-G834 PolarHBondContact O-N 3.48Å; G834-I852 CarbonylContact C-O 3.58Å; G834-I852 WeakPolarHBondContact CA-O 3.28Å
835	A	93.1	Very high	90.9	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.8	-176.9	0	0	0	0	0	111.2	V816 E818 L819 I852 I854	V816-A835 HydrophobicContact CG1-CB 4.2Å; E818-A835 VanDerWaalsContact O-CA 3.29Å; E818-A835 WeakPolarHBondContact O-CA 3.49Å; L819-A835 HydrophobicContact CD2-CB 3.95Å; A835-I852 HydrophobicContact CB-CD1 4.29Å; A835-I852 HydrophobicContact CB-CG1 4.14Å; A835-I852 PolarHBondContact N-O 3.3Å; A835-I852 WeakPolarHBondContact O-CG1 3.4Å; A835-I854 HydrophobicContact CB-CD1 4.5Å; A835-I854 HydrophobicContact CB-CG1 4.27Å; A835-I854 HydrophobicContact CB-CG2 4.02Å
836	A	94.5	Very high	91.5	Very high	6 Å²	6	48.7 Å²	48.7	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.8	165.7	0	0	0	0	0	109.5	T817 E818 V849	T817-A836 PolarHBondContact N-O 2.8Å; E818-A836 HydrophobicContact CB-CB 4.23Å; E818-A836 PolarHBondContact N-O 2.86Å; E818-A836 VanDerWaalsContact N-O 3.13Å; E818-A836 PolarHBondContact O-N 3.23Å; A836-V849 CarbonylContact C-O 3.56Å; A836-V849 VanDerWaalsContact CA-O 3.29Å; A836-V849 WeakPolarHBondContact CA-O 3.35Å; A836-V849 WeakPolarHBondContact CB-O 3.47Å
837	G	95.7	Very high	92.1	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-130.7	178	0	0	0	0	0	112.2	V815 T817 P848 V849	V815-G837 CarbonylContact O-C 3.5Å; V815-G837 VanDerWaalsContact O-CA 3.24Å; V815-G837 WeakPolarHBondContact O-CA 3.28Å; T817-G837 VanDerWaalsContact OG1-CA 3.32Å; T817-G837 WeakPolarHBondContact OG1-CA 3.1Å; G837-P848 CarbonylContact O-C 3.35Å; G837-P848 VanDerWaalsContact O-CA 3.3Å; G837-P848 WeakPolarHBondContact O-CA 3.4Å; G837-V849 PolarHBondContact N-O 3.38Å; G837-V849 PolarHBondContact O-N 2.89Å
838	F	97.2	Very high	92.7	Very high	25 Å²	25	42.8 Å²	42.8	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.9	-169.1	-63.5	-85.3	0	0	0	112.6	S675 V815 T817 I845 P848	S675-F838 VanDerWaalsContact O-CE1 3.23Å; S675-F838 WeakPolarHBondContact O-CE1 3.32Å; S675-F838 WeakPolarHBondContact OG-CZ 3.49Å; V815-F838 HydrophobicContact CB-CB 4.33Å; V815-F838 PolarHBondContact N-O 3.05Å; V815-F838 PolarHBondContact O-N 3.11Å; T817-F838 HydrophobicContact CG2-CD2 3.9Å; T817-F838 HydrophobicContact CG2-CE2 3.86Å; F838-I845 HydrophobicContact CB-CG1 4.32Å; F838-I845 HydrophobicContact CB-CG2 3.88Å; F838-I845 HydrophobicContact CD1-CG2 3.69Å; F838-I845 HydrophobicContact CG-CG2 4.02Å; F838-P848 HydrophobicContact CD1-CB 4.18Å; F838-P848 HydrophobicContact CE1-CB 3.93Å
839	W	97.9	Very high	93.5	Very high	16 Å²	16	39.7 Å²	39.7	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.9	169	-167.6	-113.1	0	0	0	110.6	L682 M685 A687 T812 L814 E841 Q846 Y847 V849	L682-W839 HydrophobicContact CD1-CD2 4.25Å; L682-W839 HydrophobicContact CD1-CE3 3.43Å; L682-W839 VanDerWaalsContact CD1-CE3 3.43Å; L682-W839 HydrophobicContact CD1-CZ3 3.73Å; L682-W839 HydrophobicContact CD2-CD2 4.06Å; L682-W839 HydrophobicContact CD2-CE3 4.08Å; L682-W839 HydrophobicContact CD2-CG 4.31Å; L682-W839 HydrophobicContact CG-CE3 4.43Å; M685-W839 HydrophobicContact CE-CH2 4.19Å; M685-W839 HydrophobicContact CE-CZ2 4.48Å; M685-W839 HydrophobicContact SD-CH2 3.41Å; M685-W839 WeakPolarHBondContact SD-CH2 3.48Å; M685-W839 HydrophobicContact SD-CZ2 4.04Å; M685-W839 HydrophobicContact SD-CZ3 4.18Å; A687-W839 HydrophobicContact CB-CH2 4.11Å; A687-W839 HydrophobicContact CB-CZ3 4.3Å; T812-W839 HydrophobicContact CG2-CH2 4.4Å; T812-W839 HydrophobicContact CG2-CZ2 3.69Å; L814-W839 HydrophobicContact CB-CE3 4.36Å; L814-W839 HydrophobicContact CB-CZ3 4.28Å; L814-W839 HydrophobicContact CD1-CE3 4.45Å; W839-E841 PolarHBondContact NE1-OE1 3.23Å; W839-Q846 PolarHBondContact O-N 2.89Å; W839-Y847 HydrophobicContact CB-CD2 3.96Å; W839-Y847 HydrophobicContact CB-CE1 4.3Å; W839-Y847 HydrophobicContact CB-CE2 3.55Å; W839-Y847 AromaticContact CD1-CE1 3.82Å; W839-Y847 AromaticContact CD1-CZ 3.49Å; W839-Y847 VanDerWaalsContact CD1-CZ 3.49Å; W839-Y847 HydrophobicContact CG-CE1 4.38Å; W839-Y847 HydrophobicContact CG-CE2 4.04Å; W839-Y847 AromaticContact CG-CZ 3.77Å; W839-Y847 PolarHBondContact N-O 2.89Å; W839-V849 HydrophobicContact CB-CG2 3.77Å
840	V	97.9	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.7	-178	178.5	0	0	0	0	109.4	L807 M810 T812 G813 V815 E844 I845	L807-V840 HydrophobicContact CB-CG1 4.46Å; L807-V840 HydrophobicContact CD2-CG2 4.14Å; M810-V840 HydrophobicContact CE-CB 3.39Å; M810-V840 HydrophobicContact CE-CG1 3.54Å; M810-V840 HydrophobicContact CE-CG2 3.56Å; T812-V840 VanDerWaalsContact CA-O 3.25Å; T812-V840 WeakPolarHBondContact CA-O 3.45Å; T812-V840 WeakPolarHBondContact CG2-O 3.29Å; G813-V840 PolarHBondContact N-O 3.12Å; G813-V840 PolarHBondContact O-N 3.46Å; V815-V840 HydrophobicContact CG2-CG2 3.8Å; V840-E844 WeakPolarHBondContact CA-O 3.45Å; V840-E844 WeakPolarHBondContact CG1-O 3.3Å; V840-I845 HydrophobicContact CG2-CG1 3.93Å
841	E	97.5	Very high	94.3	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.6	174.6	-63	179.9	179.4	0	0	109.2	G811 T812 W839 G843 E844 Q846	G811-E841 CarbonylContact O-C 3.52Å; T812-E841 HydrophobicContact CG2-CG 4.34Å; W839-E841 PolarHBondContact NE1-OE1 3.23Å; E841-G843 PolarHBondContact O-N 2.96Å; E841-E844 PolarHBondContact N-O 3.15Å; E841-E844 PolarHBondContact O-N 3.14Å; E841-Q846 HydrophobicContact CB-CG 3.69Å; E841-Q846 HydrophobicContact CG-CG 3.81Å
842	N	95.9	Very high	94.7	Very high	144 Å²	144	44.3 Å²	44.3	77%	0.77	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	30.3	-174.4	-53.6	-54.1	0	0	0	114.9	G811	G811-N842 CarbonylContact O-C 3.55Å; G811-N842 WeakPolarHBondContact O-CA 3.38Å; G811-N842 PolarHBondContact O-N 2.83Å
843	G	94.3	Very high	94.9	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	14.5	-179.4	0	0	0	0	0	115.8	L807 G811 E841	L807-G843 VanDerWaalsContact CB-O 3.24Å; L807-G843 WeakPolarHBondContact CB-O 3.26Å; L807-G843 WeakPolarHBondContact O-CA 3.35Å; G811-G843 PolarHBondContact O-N 2.88Å; E841-G843 PolarHBondContact O-N 2.96Å
844	E	95.7	Very high	94.9	Very high	133 Å²	133	45.3 Å²	45.3	62%	0.621	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124	136.9	177.5	-65.1	-179.7	178.5	0	0	110.8	V840 E841 Q846	V840-E844 WeakPolarHBondContact CA-O 3.45Å; V840-E844 WeakPolarHBondContact CG1-O 3.3Å; E841-E844 PolarHBondContact N-O 3.15Å; E841-E844 PolarHBondContact O-N 3.14Å; E844-Q846 PolarHBondContact O-N 2.89Å; E844-Q846 PolarHBondContact O-NE2 3.46Å
845	I	94.8	Very high	94.6	Very high	73 Å²	73	47.8 Å²	47.8	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	127.9	174.1	-70.2	169.5	0	0	0	109.2	F803 L807 F838 V840	F803-I845 HydrophobicContact CE1-CD1 4.06Å; F803-I845 HydrophobicContact CZ-CD1 4.21Å; L807-I845 HydrophobicContact CD1-CD1 4.18Å; L807-I845 HydrophobicContact CD1-CG1 3.95Å; F838-I845 HydrophobicContact CB-CG1 4.32Å; F838-I845 HydrophobicContact CB-CG2 3.88Å; F838-I845 HydrophobicContact CD1-CG2 3.69Å; F838-I845 HydrophobicContact CG-CG2 4.02Å; V840-I845 HydrophobicContact CG2-CG1 3.93Å
846	Q	96.5	Very high	94	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-51.8	-176.8	-60.4	-56.9	-54.9	0	0	112.5	W839 E841 E844	W839-Q846 PolarHBondContact O-N 2.89Å; E841-Q846 HydrophobicContact CB-CG 3.69Å; E841-Q846 HydrophobicContact CG-CG 3.81Å; E844-Q846 PolarHBondContact O-N 2.89Å; E844-Q846 PolarHBondContact O-NE2 3.46Å
847	Y	95.5	Very high	92.6	Very high	42 Å²	42	56 Å²	56	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	154.3	-176.2	49.6	-95.4	0	0	0	111.8	R680 L682 W839 V849	R680-Y847 HydrophobicContact CB-CD2 3.81Å; R680-Y847 HydrophobicContact CB-CE2 3.83Å; R680-Y847 HydrophobicContact CG-CD2 3.8Å; R680-Y847 HydrophobicContact CG-CE2 4.18Å; R680-Y847 HydrophobicContact CG-CG 4.34Å; L682-Y847 HydrophobicContact CD2-CE2 4.24Å; W839-Y847 HydrophobicContact CB-CD2 3.96Å; W839-Y847 HydrophobicContact CB-CE1 4.3Å; W839-Y847 HydrophobicContact CB-CE2 3.55Å; W839-Y847 AromaticContact CD1-CE1 3.82Å; W839-Y847 AromaticContact CD1-CZ 3.49Å; W839-Y847 VanDerWaalsContact CD1-CZ 3.49Å; W839-Y847 HydrophobicContact CG-CE1 4.38Å; W839-Y847 HydrophobicContact CG-CE2 4.04Å; W839-Y847 AromaticContact CG-CZ 3.77Å; W839-Y847 PolarHBondContact N-O 2.89Å; Y847-V849 HydrophobicContact CD2-CG2 4.04Å; Y847-V849 HydrophobicContact CE2-CG2 3.96Å
848	P	96.7	Very high	91.1	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	151	172.7	25.4	-29.8	0	0	0	111.8	S675 R676 L677 P679 R680 G837 F838	S675-P848 WeakPolarHBondContact O-CG 3.45Å; R676-P848 WeakPolarHBondContact O-CG 3.19Å; L677-P848 WeakPolarHBondContact O-CG 3.4Å; P679-P848 CarbonylContact C-O 3.49Å; P679-P848 WeakPolarHBondContact CA-O 3.35Å; P679-P848 HydrophobicContact CB-CB 4.33Å; R680-P848 PolarHBondContact N-O 3.39Å; G837-P848 CarbonylContact O-C 3.35Å; G837-P848 VanDerWaalsContact O-CA 3.3Å; G837-P848 WeakPolarHBondContact O-CA 3.4Å; F838-P848 HydrophobicContact CD1-CB 4.18Å; F838-P848 HydrophobicContact CE1-CB 3.93Å
849	V	96.2	Very high	89.2	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.4	-177.8	174.1	0	0	0	0	109.2	R680 L682 L814 A836 G837 W839 Y847 I852	R680-V849 VanDerWaalsContact O-CA 3.29Å; R680-V849 WeakPolarHBondContact O-CA 3.47Å; R680-V849 WeakPolarHBondContact O-CG1 3.34Å; L682-V849 HydrophobicContact CD1-CG1 3.76Å; L682-V849 HydrophobicContact CD1-CG2 4.08Å; L682-V849 HydrophobicContact CD2-CG2 4.17Å; L682-V849 HydrophobicContact CG-CG1 3.73Å; L682-V849 HydrophobicContact CG-CG2 4.04Å; L814-V849 HydrophobicContact CD1-CB 4.41Å; L814-V849 HydrophobicContact CD1-CG1 4.44Å; A836-V849 CarbonylContact C-O 3.56Å; A836-V849 VanDerWaalsContact CA-O 3.29Å; A836-V849 WeakPolarHBondContact CA-O 3.35Å; A836-V849 WeakPolarHBondContact CB-O 3.47Å; G837-V849 PolarHBondContact N-O 3.38Å; G837-V849 PolarHBondContact O-N 2.89Å; W839-V849 HydrophobicContact CB-CG2 3.77Å; Y847-V849 HydrophobicContact CD2-CG2 4.04Å; Y847-V849 HydrophobicContact CE2-CG2 3.96Å; V849-I852 HydrophobicContact CG1-CB 4.48Å; V849-I852 HydrophobicContact CG1-CD1 3.72Å; V849-I852 HydrophobicContact CG1-CG1 4Å; V849-I852 HydrophobicContact CG1-CG2 3.66Å
850	S	93	Very high	87.2	Confident	17 Å²	17	59.5 Å²	59.5	12%	0.119	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.4	175.5	71.6	0	0	0	0	110.9	P679 R680 I852	P679-S850 WeakPolarHBondContact CB-OG 3.36Å; P679-S850 VanDerWaalsContact CG-OG 3.3Å; P679-S850 WeakPolarHBondContact CG-OG 3.43Å; R680-S850 PolarHBondContact O-N 3.14Å; S850-I852 VanDerWaalsContact C-N 3.31Å; S850-I852 PolarHBondContact O-N 2.82Å
851	E	89.3	Confident	85.3	Confident	144 Å²	144	61.8 Å²	61.8	67%	0.673	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	36.8	-178.7	-60.1	-171.5	-133.7	0	0	115	K681	K681-E851 HydrophobicContact CD-CB 4.44Å; K681-E851 VanDerWaalsContact CE-CD 3.4Å; K681-E851 VanDerWaalsContact CE-OE1 3.31Å; K681-E851 WeakPolarHBondContact CE-OE1 3.42Å; K681-E851 VanDerWaalsContact CE-OE2 3.25Å; K681-E851 WeakPolarHBondContact CE-OE2 3.47Å; K681-E851 IonicContact NZ-OE1 3.81Å; K681-E851 PolarHBondContact NZ-OE1 2.82Å; K681-E851 VanDerWaalsContact NZ-OE1 3.12Å; K681-E851 IonicContact NZ-OE2 3.78Å; K681-E851 PolarHBondContact NZ-OE2 3.16Å
852	I	93.9	Very high	83	Confident	20 Å²	20	63.6 Å²	63.6	10%	0.103	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	162.3	174.4	60.2	162.9	0	0	0	111.2	L682 L814 G834 A835 V849 S850	L682-I852 HydrophobicContact CB-CG2 4.11Å; L682-I852 HydrophobicContact CG-CG2 4.41Å; L814-I852 HydrophobicContact CD1-CD1 3.89Å; L814-I852 HydrophobicContact CD2-CD1 3.44Å; L814-I852 VanDerWaalsContact CD2-CD1 3.44Å; L814-I852 HydrophobicContact CG-CD1 4.33Å; G834-I852 CarbonylContact C-O 3.58Å; G834-I852 WeakPolarHBondContact CA-O 3.28Å; A835-I852 HydrophobicContact CB-CD1 4.29Å; A835-I852 HydrophobicContact CB-CG1 4.14Å; A835-I852 PolarHBondContact N-O 3.3Å; A835-I852 WeakPolarHBondContact O-CG1 3.4Å; V849-I852 HydrophobicContact CG1-CB 4.48Å; V849-I852 HydrophobicContact CG1-CD1 3.72Å; V849-I852 HydrophobicContact CG1-CG1 4Å; V849-I852 HydrophobicContact CG1-CG2 3.66Å; S850-I852 VanDerWaalsContact C-N 3.31Å; S850-I852 PolarHBondContact O-N 2.82Å
853	T	93	Very high	80.9	Confident	97 Å²	97	61.7 Å²	61.7	60%	0.595	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	128.7	171.2	-62.1	0	0	0	0	108.3	S832 R833	S832-T853 WeakPolarHBondContact OG-CG2 3.48Å; R833-T853 WeakPolarHBondContact O-CA 3.44Å; R833-T853 WeakPolarHBondContact O-CG2 3.36Å
854	I	90.9	Very high	78.8	Confident	18 Å²	18	62.6 Å²	62.6	9%	0.092	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.5	167.6	63.1	173.9	0	0	0	109	F691 L814 V816 L819 Y831 S832 R833 A835	F691-I854 HydrophobicContact CE1-CD1 3.6Å; F691-I854 HydrophobicContact CZ-CD1 3.67Å; L814-I854 HydrophobicContact CD2-CG2 3.93Å; V816-I854 HydrophobicContact CG2-CD1 4.41Å; V816-I854 HydrophobicContact CG2-CG2 4.47Å; L819-I854 HydrophobicContact CD2-CD1 3.66Å; L819-I854 HydrophobicContact CD2-CG1 4.2Å; Y831-I854 HydrophobicContact CE1-CD1 3.97Å; Y831-I854 HydrophobicContact CE1-CG1 4.21Å; S832-I854 VanDerWaalsContact CA-O 3.28Å; S832-I854 WeakPolarHBondContact CA-O 3.34Å; R833-I854 PolarHBondContact N-O 3.09Å; R833-I854 VanDerWaalsContact N-O 3.08Å; R833-I854 PolarHBondContact O-N 3.06Å; A835-I854 HydrophobicContact CB-CD1 4.5Å; A835-I854 HydrophobicContact CB-CG1 4.27Å; A835-I854 HydrophobicContact CB-CG2 4.02Å
855	A	86.7	Confident	76.5	Confident	74 Å²	74	58.3 Å²	58.3	61%	0.612	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.6	178.7	0	0	0	0	0	111.4	Y831	Y831-A855 CarbonylContact O-C 3.57Å; Y831-A855 WeakPolarHBondContact O-CA 3.45Å
856	V	80.1	Confident	74.5	Confident	83 Å²	83	57.1 Å²	57.1	50%	0.503	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.9	174.8	-169.4	0	0	0	0	108.6	Y831 S858	Y831-V856 PolarHBondContact N-O 3.36Å; Y831-V856 PolarHBondContact O-N 2.83Å; V856-S858 WeakPolarHBondContact CG1-O 3.35Å; V856-S858 PolarHBondContact O-N 3.37Å
857	S	65.5	Low	72.2	Confident	100 Å²	100	54.4 Å²	54.4	70%	0.699	34%	0.339	S	S	*	.	S	Bend	trans	-71.2	-11	-177.2	54.7	0	0	0	0	114.3	D830	D830-S857 VanDerWaalsContact OD1-O 3.1Å
858	S	63.9	Low	70	Confident	37 Å²	37	53.1 Å²	53.1	26%	0.259	34%	0.336	S	S	.	.			trans	-163.4	136.2	172.3	-171.7	0	0	0	0	109.5	G829 V856 V860	G829-S858 CarbonylContact O-C 3.55Å; G829-S858 WeakPolarHBondContact O-CA 3.46Å; V856-S858 WeakPolarHBondContact CG1-O 3.35Å; V856-S858 PolarHBondContact O-N 3.37Å; S858-V860 PolarHBondContact O-N 3.46Å; S858-V860 WeakPolarHBondContact OG-CG2 3.37Å
859	L	58.2	Low	68.5	Low	17 Å²	17	56.3 Å²	56.3	9%	0.089	35%	0.352	C	S	.	.	S	Bend	trans	-65.6	3.5	172.2	-107.3	156.9	0	0	0	114.4	L699 H702 F718 V824 G829 Y831 F861	L699-L859 HydrophobicContact CD2-CD2 3.91Å; H702-L859 HydrophobicContact CB-CD1 3.84Å; F718-L859 HydrophobicContact CZ-CB 4.23Å; V824-L859 HydrophobicContact CG1-CD1 3.65Å; G829-L859 PolarHBondContact O-N 2.88Å; Y831-L859 HydrophobicContact CD2-CD1 3.57Å; Y831-L859 HydrophobicContact CD2-CD2 4.11Å; Y831-L859 HydrophobicContact CD2-CG 3.76Å; Y831-L859 HydrophobicContact CE2-CD1 4.31Å; Y831-L859 HydrophobicContact CE2-CD2 4.46Å; Y831-L859 HydrophobicContact CG-CD1 4.41Å; Y831-L859 HydrophobicContact CG-CG 4.27Å; L859-F861 HydrophobicContact CD2-CE2 3.85Å; L859-F861 HydrophobicContact CD2-CZ 3.62Å; L859-F861 WeakPolarHBondContact O-CD2 3.44Å; L859-F861 VanDerWaalsContact O-CE2 3.25Å; L859-F861 WeakPolarHBondContact O-CE2 3.49Å; L859-F861 PolarHBondContact O-N 2.93Å; L859-F861 VanDerWaalsContact O-N 3.12Å
860	V	56.5	Low	66.9	Low	65 Å²	65	57.9 Å²	57.9	39%	0.394	36%	0.36	S	S	.	.			trans	-70.9	103.8	173	175.7	0	0	0	0	108.6	F718 I727 S858 S862	F718-V860 HydrophobicContact CE2-CG2 4.46Å; I727-V860 WeakPolarHBondContact O-CG1 3.33Å; S858-V860 PolarHBondContact O-N 3.46Å; S858-V860 WeakPolarHBondContact OG-CG2 3.37Å; V860-S862 PolarHBondContact O-N 2.87Å; V860-S862 VanDerWaalsContact O-N 3.12Å
861	F	56.6	Low	65.7	Low	48 Å²	48	60.8 Å²	60.8	21%	0.211	37%	0.372	C	S	.	.			trans	-71.3	102.2	178.3	-59.6	-84.5	0	0	0	109.2	L699 L728 P729 L859 A864	L699-F861 HydrophobicContact CB-CE2 4.48Å; L699-F861 HydrophobicContact CB-CZ 3.83Å; L699-F861 HydrophobicContact CD1-CE1 3.88Å; L699-F861 HydrophobicContact CD1-CZ 3.75Å; L699-F861 HydrophobicContact CD2-CZ 4.02Å; L699-F861 HydrophobicContact CG-CZ 4.07Å; L728-F861 HydrophobicContact CD2-CB 3.88Å; L728-F861 HydrophobicContact CD2-CD2 3.39Å; L728-F861 HydrophobicContact CD2-CE2 4.37Å; L728-F861 HydrophobicContact CD2-CG 4.08Å; P729-F861 WeakPolarHBondContact CD-O 3.47Å; P729-F861 VanDerWaalsContact CG-O 3.27Å; P729-F861 WeakPolarHBondContact CG-O 3.28Å; L859-F861 HydrophobicContact CD2-CE2 3.85Å; L859-F861 HydrophobicContact CD2-CZ 3.62Å; L859-F861 WeakPolarHBondContact O-CD2 3.44Å; L859-F861 VanDerWaalsContact O-CE2 3.25Å; L859-F861 WeakPolarHBondContact O-CE2 3.49Å; L859-F861 PolarHBondContact O-N 2.93Å; L859-F861 VanDerWaalsContact O-N 3.12Å; F861-A864 HydrophobicContact CB-CB 4.47Å
862	S	49	Very low	64.6	Low	109 Å²	109	55.5 Å²	55.5	76%	0.762	35%	0.349	S	S	*	.	S	Bend	trans	-82.5	-20.1	173.4	59.6	0	0	0	0	112.9	V860	V860-S862 PolarHBondContact O-N 2.87Å; V860-S862 VanDerWaalsContact O-N 3.12Å
863	S	51.8	Low	63.6	Low	103 Å²	103	54.8 Å²	54.8	72%	0.72	35%	0.345	S	S	*	.	S	Bend	trans	-151.3	109	179.7	55.5	0	0	0	0	109.1
864	A	50.7	Low	62.8	Low	24 Å²	24	50.9 Å²	50.9	20%	0.198	32%	0.32	C	S	.	.			trans	-136	164.4	170.4	0	0	0	0	0	108	W731 F861	W731-A864 VanDerWaalsContact CE2-O 3.24Å; W731-A864 HydrophobicContact CZ2-CB 4.06Å; W731-A864 WeakPolarHBondContact CZ2-O 3.48Å; W731-A864 PolarHBondContact NE1-O 3.24Å; F861-A864 HydrophobicContact CB-CB 4.47Å
865	S	48.5	Very low	62	Low	44 Å²	44	53.2 Å²	53.2	31%	0.308	33%	0.331	S	S	.	.			trans	-142.4	143.6	165.9	-66.1	0	0	0	0	106.9	Q799	Q799-S865 PolarHBondContact OE1-OG 2.94Å
866	F	51.9	Low	61.5	Low	48 Å²	48	52.2 Å²	52.2	21%	0.211	32%	0.317	C	S	.	.			trans	-112.7	139.4	172.8	-62.1	-59.9	0	0	0	109.5	F700 W731 L732 I796 Q799	F700-F866 HydrophobicContact CE1-CZ 4.49Å; F700-F866 HydrophobicContact CE2-CE1 4.22Å; F700-F866 HydrophobicContact CE2-CZ 4.11Å; F700-F866 HydrophobicContact CZ-CE1 4.02Å; F700-F866 HydrophobicContact CZ-CE2 4.08Å; F700-F866 AromaticContact CZ-CZ 3.46Å; F700-F866 HydrophobicContact CZ-CZ 3.46Å; F700-F866 VanDerWaalsContact CZ-CZ 3.46Å; W731-F866 AromaticContact CH2-CD2 3.3Å; W731-F866 HydrophobicContact CH2-CD2 3.3Å; W731-F866 AromaticContact CH2-CE2 3.44Å; W731-F866 HydrophobicContact CH2-CE2 3.44Å; W731-F866 VanDerWaalsContact CH2-CE2 3.44Å; W731-F866 HydrophobicContact CH2-CG 4.17Å; W731-F866 HydrophobicContact CH2-CZ 4.41Å; W731-F866 HydrophobicContact CZ2-CE2 4.38Å; W731-F866 AromaticContact CZ3-CD2 3.65Å; W731-F866 HydrophobicContact CZ3-CD2 3.65Å; W731-F866 HydrophobicContact CZ3-CE2 4.05Å; L732-F866 HydrophobicContact CD1-CE2 3.53Å; L732-F866 HydrophobicContact CD1-CZ 4.02Å; L732-F866 HydrophobicContact CG-CE2 4.02Å; I796-F866 HydrophobicContact CG2-CD2 3.74Å; I796-F866 HydrophobicContact CG2-CE2 3.73Å; Q799-F866 PolarHBondContact N-O 3.14Å; Q799-F866 VanDerWaalsContact N-O 3.16Å
867	A	47.5	Very low	61.6	Low	31 Å²	31	48.5 Å²	48.5	26%	0.256	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-72.6	145.9	170	0	0	0	0	0	110	L801 M806	L801-A867 CarbonylContact O-C 3.54Å; L801-A867 WeakPolarHBondContact O-CA 2.96Å; L801-A867 VanDerWaalsContact O-CB 3.29Å; L801-A867 WeakPolarHBondContact O-CB 3.15Å; M806-A867 HydrophobicContact CE-CB 3.38Å; M806-A867 HydrophobicContact CG-CB 4.32Å; M806-A867 HydrophobicContact SD-CB 3.69Å; M806-A867 PolarHBondContact SD-N 3.42Å
868	A	49.8	Very low	62.5	Low	14 Å²	14	46.2 Å²	46.2	12%	0.116	27%	0.274	C	S	.	.			trans	-77.4	137.9	166.7	0	0	0	0	0	109.5	L801 D872	L801-A868 PolarHBondContact O-N 3.19Å; A868-D872 WeakPolarHBondContact CA-OD2 3.49Å; A868-D872 HydrophobicContact CB-CB 4.08Å
869	D	64.6	Low	63.4	Low	86 Å²	86	47.7 Å²	47.7	46%	0.46	28%	0.279	S	S	.	.			trans	-94.1	-178.4	164.9	74.5	25.8	0	0	0	112.1	E871 D872 N873	D869-E871 VanDerWaalsContact C-N 3.32Å; D869-E871 PolarHBondContact O-N 3.16Å; D869-E871 WeakPolarHBondContact OD1-CA 3.22Å; D869-E871 WeakPolarHBondContact OD1-CB 3.46Å; D869-E871 PolarHBondContact OD1-N 3.06Å; D869-D872 PolarHBondContact N-OD2 2.96Å; D869-D872 PolarHBondContact O-N 3.14Å; D869-D872 PolarHBondContact OD1-N 3.21Å; D869-N873 PolarHBondContact O-N 2.86Å; D869-N873 PolarHBondContact O-ND2 3.25Å
870	L	64.4	Low	64.8	Low	36 Å²	36	48 Å²	48	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-37.4	178.5	179.3	59.9	0	0	0	111.8	N873 M874 A907 A910 P912	L870-N873 PolarHBondContact O-N 2.76Å; L870-M874 HydrophobicContact CD1-CG 4.33Å; L870-M874 WeakPolarHBondContact O-CG 3.46Å; L870-M874 PolarHBondContact O-N 2.92Å; L870-A907 HydrophobicContact CD1-CB 3.53Å; L870-A910 HydrophobicContact CB-CB 4.05Å; L870-A910 HydrophobicContact CD1-CB 4Å; L870-A910 HydrophobicContact CD2-CB 4.32Å; L870-A910 HydrophobicContact CG-CB 4.34Å; L870-P912 HydrophobicContact CD2-CB 3.94Å
871	E	67.5	Low	66.3	Low	78 Å²	78	45.1 Å²	45.1	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-70.5	-38.6	-179.9	-155.6	169.7	-130.7	0	0	110.6	R795 D869 N873 M874 E875 R973	R795-E871 IonicContact CZ-OE2 3.86Å; R795-E871 IonicContact NH1-OE2 2.72Å; R795-E871 IonicContact NH2-OE2 3.76Å; R795-E871 PolarHBondContact NH2-OE2 3.38Å; R795-E871 VanDerWaalsContact NH2-OE2 3.07Å; D869-E871 VanDerWaalsContact C-N 3.32Å; D869-E871 PolarHBondContact O-N 3.16Å; D869-E871 WeakPolarHBondContact OD1-CA 3.22Å; D869-E871 WeakPolarHBondContact OD1-CB 3.46Å; D869-E871 PolarHBondContact OD1-N 3.06Å; E871-N873 VanDerWaalsContact C-N 3.35Å; E871-N873 PolarHBondContact O-N 3.26Å; E871-M874 PolarHBondContact O-N 2.76Å; E871-E875 WeakPolarHBondContact O-CB 3.44Å; E871-E875 PolarHBondContact O-N 3.32Å; E871-R973 IonicContact OE1-CZ 3.65Å; E871-R973 IonicContact OE1-NH2 2.69Å; E871-R973 PolarHBondContact OE1-NH2 2.73Å
872	D	66.3	Low	67.7	Low	34 Å²	34	47 Å²	47	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-44.4	171.3	-68.2	-36.2	0	0	0	111.7	A868 D869 M874 E875 T876	A868-D872 WeakPolarHBondContact CA-OD2 3.49Å; A868-D872 HydrophobicContact CB-CB 4.08Å; D869-D872 PolarHBondContact N-OD2 2.96Å; D869-D872 PolarHBondContact O-N 3.14Å; D869-D872 PolarHBondContact OD1-N 3.21Å; D872-M874 VanDerWaalsContact C-N 3.32Å; D872-M874 PolarHBondContact O-N 3.47Å; D872-E875 PolarHBondContact O-N 3.5Å; D872-T876 VanDerWaalsContact O-CB 3.29Å; D872-T876 WeakPolarHBondContact O-CB 3.14Å; D872-T876 PolarHBondContact O-N 3.2Å; D872-T876 PolarHBondContact O-OG1 3.14Å
873	N	72.7	Confident	69.6	Low	4 Å²	4	45 Å²	45	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-39.6	177.1	-79	-49.3	0	0	0	111.3	D869 L870 E871 T876 L877 A903 D906 A907	D869-N873 PolarHBondContact O-N 2.86Å; D869-N873 PolarHBondContact O-ND2 3.25Å; L870-N873 PolarHBondContact O-N 2.76Å; E871-N873 VanDerWaalsContact C-N 3.35Å; E871-N873 PolarHBondContact O-N 3.26Å; N873-T876 PolarHBondContact O-N 3.19Å; N873-L877 WeakPolarHBondContact O-CG 3.28Å; N873-L877 PolarHBondContact O-N 3.13Å; N873-A903 HydrophobicContact CB-CB 4.27Å; N873-A903 WeakPolarHBondContact OD1-CA 3.45Å; N873-D906 PolarHBondContact ND2-OD2 3.47Å; N873-A907 HydrophobicContact CB-CB 3.9Å
874	M	76.1	Confident	71.4	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-35.3	177.1	-67.8	-57.3	-83.1	0	0	112.8	L870 E871 D872 L877 N878 F932 R965 H969	L870-M874 HydrophobicContact CD1-CG 4.33Å; L870-M874 WeakPolarHBondContact O-CG 3.46Å; L870-M874 PolarHBondContact O-N 2.92Å; E871-M874 PolarHBondContact O-N 2.76Å; D872-M874 VanDerWaalsContact C-N 3.32Å; D872-M874 PolarHBondContact O-N 3.47Å; M874-L877 HydrophobicContact SD-CD1 3.78Å; M874-N878 PolarHBondContact O-N 3.43Å; M874-N878 VanDerWaalsContact O-N 3.11Å; M874-F932 HydrophobicContact SD-CE1 4.23Å; M874-F932 HydrophobicContact SD-CZ 3.87Å; M874-R965 HydrophobicContact CE-CG 3.64Å; M874-H969 HydrophobicContact CE-CB 3.39Å; M874-H969 WeakPolarHBondContact CE-ND1 3.16Å
875	E	73.5	Confident	73.2	Confident	68 Å²	68	43.3 Å²	43.3	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-68.8	-44.1	173.2	-171.4	155	-151.1	0	0	110.8	R795 E871 D872 L877 N878 D879	R795-E875 IonicContact NH1-OE2 2.87Å; R795-E875 PolarHBondContact NH1-OE2 2.9Å; E871-E875 WeakPolarHBondContact O-CB 3.44Å; E871-E875 PolarHBondContact O-N 3.32Å; D872-E875 PolarHBondContact O-N 3.5Å; E875-L877 VanDerWaalsContact C-N 3.3Å; E875-L877 PolarHBondContact O-N 2.73Å; E875-N878 WeakPolarHBondContact O-CA 3.47Å; E875-N878 WeakPolarHBondContact O-CB 3.32Å; E875-N878 PolarHBondContact O-N 2.83Å; E875-D879 PolarHBondContact O-N 2.77Å
876	T	76.3	Confident	75.1	Confident	53 Å²	53	49 Å²	49	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-43.4	173.6	-61.9	0	0	0	0	111.6	D872 N873 N878 N880 A903	D872-T876 VanDerWaalsContact O-CB 3.29Å; D872-T876 WeakPolarHBondContact O-CB 3.14Å; D872-T876 PolarHBondContact O-N 3.2Å; D872-T876 PolarHBondContact O-OG1 3.14Å; N873-T876 PolarHBondContact O-N 3.19Å; T876-N878 VanDerWaalsContact C-N 3.34Å; T876-N878 PolarHBondContact O-N 3.23Å; T876-N880 WeakPolarHBondContact O-CB 3.4Å; T876-N880 PolarHBondContact O-N 2.91Å; T876-N880 VanDerWaalsContact O-N 3.09Å; T876-N880 PolarHBondContact O-ND2 3.35Å; T876-A903 HydrophobicContact CG2-CB 3.82Å
877	L	82.6	Confident	76.9	Confident	5 Å²	5	47 Å²	47	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-43.4	173.4	-78.9	168.1	0	0	0	111.8	N873 M874 E875 L881 M900 A903 A904 F932 L935 I939	N873-L877 WeakPolarHBondContact O-CG 3.28Å; N873-L877 PolarHBondContact O-N 3.13Å; M874-L877 HydrophobicContact SD-CD1 3.78Å; E875-L877 VanDerWaalsContact C-N 3.3Å; E875-L877 PolarHBondContact O-N 2.73Å; L877-L881 VanDerWaalsContact O-CB 3.26Å; L877-L881 WeakPolarHBondContact O-CB 3.41Å; L877-L881 PolarHBondContact O-N 3.48Å; L877-L881 VanDerWaalsContact O-N 3.09Å; L877-M900 HydrophobicContact CD2-CB 3.85Å; L877-M900 HydrophobicContact CD2-CE 4.34Å; L877-M900 HydrophobicContact CD2-CG 4.28Å; L877-M900 VanDerWaalsContact CD2-O 3.31Å; L877-M900 WeakPolarHBondContact CD2-O 3.39Å; L877-A903 HydrophobicContact CG-CB 4.21Å; L877-A904 HydrophobicContact CD2-CB 4.22Å; L877-F932 HydrophobicContact CD1-CE1 4.35Å; L877-L935 HydrophobicContact CD1-CD2 3.88Å; L877-L935 HydrophobicContact CD2-CD2 4.2Å; L877-I939 HydrophobicContact CD2-CD1 4.31Å
878	N	83.2	Confident	78.8	Confident	51 Å²	51	52.6 Å²	52.6	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-69.1	-43.9	-178.1	-170.1	50	0	0	0	112.8	M874 E875 T876 L881 K882 R965	M874-N878 PolarHBondContact O-N 3.43Å; M874-N878 VanDerWaalsContact O-N 3.11Å; E875-N878 WeakPolarHBondContact O-CA 3.47Å; E875-N878 WeakPolarHBondContact O-CB 3.32Å; E875-N878 PolarHBondContact O-N 2.83Å; T876-N878 VanDerWaalsContact C-N 3.34Å; T876-N878 PolarHBondContact O-N 3.23Å; N878-L881 PolarHBondContact O-N 2.98Å; N878-K882 PolarHBondContact ND2-NZ 3.45Å; N878-K882 WeakPolarHBondContact O-CG 3.41Å; N878-K882 PolarHBondContact O-N 3.46Å; N878-R965 PolarHBondContact OD1-NH1 3.16Å
879	D	83.3	Confident	80.8	Confident	69 Å²	69	55.1 Å²	55.1	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-73.3	-40	-176.7	-77.1	-13.7	0	0	0	112	E875 L881 K882 V883	E875-D879 PolarHBondContact O-N 2.77Å; D879-L881 VanDerWaalsContact C-N 3.31Å; D879-L881 PolarHBondContact O-N 3.33Å; D879-K882 WeakPolarHBondContact O-CB 3.26Å; D879-K882 PolarHBondContact O-N 3.1Å; D879-K882 IonicContact OD1-NZ 3.94Å; D879-K882 PolarHBondContact OD1-NZ 3.27Å; D879-V883 WeakPolarHBondContact O-CG2 3.3Å; D879-V883 PolarHBondContact O-N 2.67Å; D879-V883 VanDerWaalsContact O-N 3.13Å
880	N	87.3	Confident	81.9	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-70.5	-28.6	174.8	-73.5	-82.6	0	0	0	112.3	T876 K882 V883 V884 A896 K899 M900	T876-N880 WeakPolarHBondContact O-CB 3.4Å; T876-N880 PolarHBondContact O-N 2.91Å; T876-N880 VanDerWaalsContact O-N 3.09Å; T876-N880 PolarHBondContact O-ND2 3.35Å; N880-K882 VanDerWaalsContact C-N 3.34Å; N880-K882 PolarHBondContact O-N 2.92Å; N880-V883 WeakPolarHBondContact O-CB 3.48Å; N880-V883 PolarHBondContact O-N 2.95Å; N880-V883 VanDerWaalsContact O-N 3.14Å; N880-V884 WeakPolarHBondContact O-CG2 3.22Å; N880-V884 PolarHBondContact O-N 3.27Å; N880-A896 HydrophobicContact CB-CB 4.2Å; N880-K899 WeakPolarHBondContact OD1-CD 3.49Å; N880-M900 HydrophobicContact CB-CG 3.4Å; N880-M900 HydrophobicContact CB-SD 3.97Å
881	L	88	Confident	83.1	Confident	6 Å²	6	54 Å²	54	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-43.8	170.5	-176.4	66.4	0	0	0	111.2	L877 N878 D879 V883 V884 E885 M900 A958 L961 K962	L877-L881 VanDerWaalsContact O-CB 3.26Å; L877-L881 WeakPolarHBondContact O-CB 3.41Å; L877-L881 PolarHBondContact O-N 3.48Å; L877-L881 VanDerWaalsContact O-N 3.09Å; N878-L881 PolarHBondContact O-N 2.98Å; D879-L881 VanDerWaalsContact C-N 3.31Å; D879-L881 PolarHBondContact O-N 3.33Å; L881-V883 VanDerWaalsContact C-N 3.26Å; L881-V883 PolarHBondContact O-N 3.49Å; L881-V884 PolarHBondContact O-N 2.99Å; L881-E885 WeakPolarHBondContact O-CG 3.4Å; L881-E885 PolarHBondContact O-N 3.23Å; L881-M900 HydrophobicContact CB-CE 3.95Å; L881-M900 HydrophobicContact CB-SD 4.43Å; L881-M900 HydrophobicContact CD1-CE 4.03Å; L881-A958 HydrophobicContact CD1-CB 4.21Å; L881-A958 WeakPolarHBondContact CD1-O 3.42Å; L881-L961 HydrophobicContact CD1-CB 4.46Å; L881-L961 HydrophobicContact CD1-CD1 4.35Å; L881-K962 HydrophobicContact CD2-CB 4.02Å; L881-K962 HydrophobicContact CD2-CG 4.3Å
882	K	86.7	Confident	84.2	Confident	86 Å²	86	54.4 Å²	54.4	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-32.7	174.4	-62.7	167.9	-164.3	154.8	0	112.4	N878 D879 N880 K886	N878-K882 PolarHBondContact ND2-NZ 3.45Å; N878-K882 WeakPolarHBondContact O-CG 3.41Å; N878-K882 PolarHBondContact O-N 3.46Å; D879-K882 WeakPolarHBondContact O-CB 3.26Å; D879-K882 PolarHBondContact O-N 3.1Å; D879-K882 IonicContact OD1-NZ 3.94Å; D879-K882 PolarHBondContact OD1-NZ 3.27Å; N880-K882 VanDerWaalsContact C-N 3.34Å; N880-K882 PolarHBondContact O-N 2.92Å; K882-K886 WeakPolarHBondContact O-CG 3.48Å; K882-K886 PolarHBondContact O-N 3.37Å
883	V	88	Confident	85.4	Confident	68 Å²	68	52.8 Å²	52.8	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-45.6	174.5	175.8	0	0	0	0	110.2	D879 N880 L881 E885 K886 A887 A896	D879-V883 WeakPolarHBondContact O-CG2 3.3Å; D879-V883 PolarHBondContact O-N 2.67Å; D879-V883 VanDerWaalsContact O-N 3.13Å; N880-V883 WeakPolarHBondContact O-CB 3.48Å; N880-V883 PolarHBondContact O-N 2.95Å; N880-V883 VanDerWaalsContact O-N 3.14Å; L881-V883 VanDerWaalsContact C-N 3.26Å; L881-V883 PolarHBondContact O-N 3.49Å; V883-E885 VanDerWaalsContact C-N 3.34Å; V883-E885 PolarHBondContact O-N 3.36Å; V883-K886 CarbonylContact O-C 3.43Å; V883-K886 PolarHBondContact O-N 2.93Å; V883-K886 VanDerWaalsContact O-N 3.14Å; V883-A887 WeakPolarHBondContact O-CB 3.14Å; V883-A887 PolarHBondContact O-N 3.5Å; V883-A896 HydrophobicContact CB-CB 4.07Å; V883-A896 HydrophobicContact CG1-CB 3.84Å
884	V	89.9	Confident	86.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-47.7	176.2	173.7	0	0	0	0	110.8	N880 L881 K886 A887 V893 A896 L897 M900 Q955 A958	N880-V884 WeakPolarHBondContact O-CG2 3.22Å; N880-V884 PolarHBondContact O-N 3.27Å; L881-V884 PolarHBondContact O-N 2.99Å; V884-K886 PolarHBondContact O-N 3.38Å; V884-K886 VanDerWaalsContact O-N 3.14Å; V884-A887 PolarHBondContact O-N 3.03Å; V884-V893 HydrophobicContact CG1-CG1 4.2Å; V884-A896 HydrophobicContact CG2-CB 3.64Å; V884-L897 HydrophobicContact CG2-CD2 3.96Å; V884-L897 HydrophobicContact CG2-CG 3.91Å; V884-M900 HydrophobicContact CG2-SD 4.18Å; V884-Q955 HydrophobicContact CG1-CG 4.23Å; V884-Q955 WeakPolarHBondContact O-CG 3.3Å; V884-Q955 PolarHBondContact O-NE2 3.49Å; V884-A958 HydrophobicContact CG1-CB 3.62Å
885	E	88.5	Confident	86.8	Confident	92 Å²	92	60.5 Å²	60.5	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-56.9	-28.6	178.4	-72.8	172.8	175.7	0	0	113.2	L881 V883	L881-E885 WeakPolarHBondContact O-CG 3.4Å; L881-E885 PolarHBondContact O-N 3.23Å; V883-E885 VanDerWaalsContact C-N 3.34Å; V883-E885 PolarHBondContact O-N 3.36Å
886	K	89.6	Confident	87.6	Confident	164 Å²	164	57.2 Å²	57.2	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-109.1	-1.7	-175.4	-65.2	179.5	-177.1	179	0	114.6	K882 V883 V884	K882-K886 WeakPolarHBondContact O-CG 3.48Å; K882-K886 PolarHBondContact O-N 3.37Å; V883-K886 CarbonylContact O-C 3.43Å; V883-K886 PolarHBondContact O-N 2.93Å; V883-K886 VanDerWaalsContact O-N 3.14Å; V884-K886 PolarHBondContact O-N 3.38Å; V884-K886 VanDerWaalsContact O-N 3.14Å
887	A	89.8	Confident	88.3	Confident	6 Å²	6	54.7 Å²	54.7	5%	0.05	29%	0.287	C	S	.	.			trans	-70.1	139	-174.8	0	0	0	0	0	112.3	V883 V884 Q892 V893 Q955	V883-A887 WeakPolarHBondContact O-CB 3.14Å; V883-A887 PolarHBondContact O-N 3.5Å; V884-A887 PolarHBondContact O-N 3.03Å; A887-Q892 HydrophobicContact CB-CB 3.74Å; A887-V893 HydrophobicContact CB-CG2 3.52Å; A887-Q955 PolarHBondContact O-NE2 2.63Å
888	D	86.8	Confident	88.6	Confident	147 Å²	147	58 Å²	58	79%	0.786	31%	0.307	S	S	*	.	S	Bend	trans	-93.9	-14.3	-177.9	-67.7	-43.3	0	0	0	113.1	Q892	D888-Q892 VanDerWaalsContact N-OE1 3.07Å
889	N	91	Very high	88.7	Confident	68 Å²	68	60.2 Å²	60.2	36%	0.364	31%	0.314	S	S	.	.	S	Bend	trans	-147	161.8	-174.5	64.4	70.3	0	0	0	112.8	A891 Q892 V893	N889-A891 VanDerWaalsContact C-N 3.27Å; N889-A891 PolarHBondContact O-N 3.26Å; N889-A891 WeakPolarHBondContact OD1-CB 3.28Å; N889-A891 PolarHBondContact OD1-N 3.22Å; N889-A891 VanDerWaalsContact OD1-N 3.16Å; N889-Q892 PolarHBondContact O-N 3.02Å; N889-Q892 PolarHBondContact OD1-N 3.48Å; N889-V893 PolarHBondContact O-N 2.96Å
890	A	88.9	Confident	88.9	Confident	27 Å²	27	57 Å²	57	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-28.5	-175.8	0	0	0	0	0	113.7	K894 V951	A890-K894 VanDerWaalsContact O-CB 3.25Å; A890-K894 WeakPolarHBondContact O-CB 3.4Å; A890-K894 PolarHBondContact O-N 3.34Å; A890-V951 HydrophobicContact CB-CG2 3.9Å; A890-V951 VanDerWaalsContact N-CG2 3.34Å
891	A	89.4	Confident	89.1	Confident	71 Å²	71	60.1 Å²	60.1	59%	0.587	31%	0.307	S	S	*	.	H	α-helix	trans	-68.8	-43.2	179.9	0	0	0	0	0	111.6	N889 K894 D895	N889-A891 VanDerWaalsContact C-N 3.27Å; N889-A891 PolarHBondContact O-N 3.26Å; N889-A891 WeakPolarHBondContact OD1-CB 3.28Å; N889-A891 PolarHBondContact OD1-N 3.22Å; N889-A891 VanDerWaalsContact OD1-N 3.16Å; A891-K894 PolarHBondContact O-N 2.87Å; A891-D895 PolarHBondContact O-N 3.07Å
892	Q	89.7	Confident	88.7	Confident	86 Å²	86	62.7 Å²	62.7	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-45.2	174.8	-75.8	176.9	-20.4	0	0	112	A887 D888 N889 K894 D895 A896	A887-Q892 HydrophobicContact CB-CB 3.74Å; D888-Q892 VanDerWaalsContact N-OE1 3.07Å; N889-Q892 PolarHBondContact O-N 3.02Å; N889-Q892 PolarHBondContact OD1-N 3.48Å; Q892-K894 VanDerWaalsContact C-N 3.32Å; Q892-K894 PolarHBondContact O-N 3.48Å; Q892-D895 PolarHBondContact O-N 3.34Å; Q892-A896 WeakPolarHBondContact O-CB 3.46Å; Q892-A896 PolarHBondContact O-N 2.94Å; Q892-A896 VanDerWaalsContact O-N 3.08Å
893	V	91.7	Very high	88.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-45.3	176.2	175.2	0	0	0	0	110.7	V884 A887 N889 A896 L897 A946 V951 A954	V884-V893 HydrophobicContact CG1-CG1 4.2Å; A887-V893 HydrophobicContact CB-CG2 3.52Å; N889-V893 PolarHBondContact O-N 2.96Å; V893-A896 PolarHBondContact O-N 3.34Å; V893-L897 HydrophobicContact CG1-CD1 3.58Å; V893-L897 HydrophobicContact CG1-CG 4.15Å; V893-L897 WeakPolarHBondContact O-CB 3.49Å; V893-L897 VanDerWaalsContact O-CG 3.28Å; V893-L897 WeakPolarHBondContact O-CG 3.47Å; V893-L897 PolarHBondContact O-N 2.73Å; V893-A946 HydrophobicContact CB-CB 4.42Å; V893-A946 HydrophobicContact CG1-CB 3.86Å; V893-V951 HydrophobicContact CG2-CG1 4.05Å; V893-A954 HydrophobicContact CG1-CB 3.95Å
894	K	90	Very high	88.3	Confident	96 Å²	96	55.6 Å²	55.6	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-45.3	179.8	-179.5	174.9	177.9	163.1	0	112.4	A890 A891 Q892 T898 L943 N947	A890-K894 VanDerWaalsContact O-CB 3.25Å; A890-K894 WeakPolarHBondContact O-CB 3.4Å; A890-K894 PolarHBondContact O-N 3.34Å; A891-K894 PolarHBondContact O-N 2.87Å; Q892-K894 VanDerWaalsContact C-N 3.32Å; Q892-K894 PolarHBondContact O-N 3.48Å; K894-T898 WeakPolarHBondContact O-CB 3.38Å; K894-T898 PolarHBondContact O-N 3.3Å; K894-T898 PolarHBondContact O-OG1 3.23Å; K894-L943 HydrophobicContact CG-CD2 4.22Å; K894-N947 WeakPolarHBondContact CD-OD1 3.24Å; K894-N947 WeakPolarHBondContact CE-OD1 3.23Å; K894-N947 PolarHBondContact NZ-OD1 3.17Å
895	D	88.4	Confident	88	Confident	85 Å²	85	58.1 Å²	58.1	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-49.1	178.4	-176.6	64.8	0	0	0	111.2	A891 Q892 T898 K899	A891-D895 PolarHBondContact O-N 3.07Å; Q892-D895 PolarHBondContact O-N 3.34Å; D895-T898 PolarHBondContact O-N 3.47Å; D895-K899 PolarHBondContact O-N 3.04Å; D895-K899 VanDerWaalsContact O-N 3.1Å; D895-K899 IonicContact OD1-NZ 3.55Å; D895-K899 WeakPolarHBondContact OD2-CE 3.33Å; D895-K899 IonicContact OD2-NZ 2.8Å; D895-K899 PolarHBondContact OD2-NZ 3.27Å
896	A	89.5	Confident	87.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-47.5	179.2	0	0	0	0	0	112.3	N880 V883 V884 Q892 V893 T898 K899 M900	N880-A896 HydrophobicContact CB-CB 4.2Å; V883-A896 HydrophobicContact CB-CB 4.07Å; V883-A896 HydrophobicContact CG1-CB 3.84Å; V884-A896 HydrophobicContact CG2-CB 3.64Å; Q892-A896 WeakPolarHBondContact O-CB 3.46Å; Q892-A896 PolarHBondContact O-N 2.94Å; Q892-A896 VanDerWaalsContact O-N 3.08Å; V893-A896 PolarHBondContact O-N 3.34Å; A896-T898 VanDerWaalsContact C-N 3.29Å; A896-T898 PolarHBondContact O-N 3.21Å; A896-K899 PolarHBondContact O-N 3.19Å; A896-M900 VanDerWaalsContact O-CG 3.3Å; A896-M900 WeakPolarHBondContact O-CG 3.25Å; A896-M900 PolarHBondContact O-N 3.09Å
897	L	92.2	Very high	86.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-34.2	177.5	-71.4	173.2	0	0	0	112.5	V884 V893 M900 R901 I939 A942 L943 A946 A958	V884-L897 HydrophobicContact CG2-CD2 3.96Å; V884-L897 HydrophobicContact CG2-CG 3.91Å; V893-L897 HydrophobicContact CG1-CD1 3.58Å; V893-L897 HydrophobicContact CG1-CG 4.15Å; V893-L897 WeakPolarHBondContact O-CB 3.49Å; V893-L897 VanDerWaalsContact O-CG 3.28Å; V893-L897 WeakPolarHBondContact O-CG 3.47Å; V893-L897 PolarHBondContact O-N 2.73Å; L897-M900 HydrophobicContact CD2-SD 4.09Å; L897-M900 PolarHBondContact O-N 3.47Å; L897-R901 WeakPolarHBondContact O-CB 3.33Å; L897-R901 PolarHBondContact O-N 3.33Å; L897-I939 HydrophobicContact CB-CG2 4.34Å; L897-I939 HydrophobicContact CD2-CG2 4.38Å; L897-I939 WeakPolarHBondContact O-CG2 3.3Å; L897-A942 HydrophobicContact CD1-CB 3.67Å; L897-A942 HydrophobicContact CD2-CB 3.98Å; L897-L943 HydrophobicContact CB-CD1 4.46Å; L897-L943 HydrophobicContact CB-CD2 3.59Å; L897-L943 HydrophobicContact CB-CG 3.72Å; L897-L943 HydrophobicContact CD1-CD2 4.22Å; L897-L943 HydrophobicContact CD1-CG 4.14Å; L897-A946 HydrophobicContact CD1-CB 4.43Å; L897-A958 HydrophobicContact CD2-CB 4.41Å
898	T	88.9	Confident	86.5	Confident	73 Å²	73	48.2 Å²	48.2	45%	0.448	26%	0.263	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.4	-57.7	0	0	0	0	110.9	K894 D895 A896 R901 A902	K894-T898 WeakPolarHBondContact O-CB 3.38Å; K894-T898 PolarHBondContact O-N 3.3Å; K894-T898 PolarHBondContact O-OG1 3.23Å; D895-T898 PolarHBondContact O-N 3.47Å; A896-T898 VanDerWaalsContact C-N 3.29Å; A896-T898 PolarHBondContact O-N 3.21Å; T898-R901 PolarHBondContact O-N 3.3Å; T898-A902 PolarHBondContact O-N 3.14Å; T898-A902 VanDerWaalsContact O-N 3.14Å
899	K	84.4	Confident	86	Confident	98 Å²	98	48.3 Å²	48.3	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-44.2	174.3	-70.7	167.8	176.8	164.4	0	111.8	N880 D895 A896 R901 A902 A903	N880-K899 WeakPolarHBondContact OD1-CD 3.49Å; D895-K899 PolarHBondContact O-N 3.04Å; D895-K899 VanDerWaalsContact O-N 3.1Å; D895-K899 IonicContact OD1-NZ 3.55Å; D895-K899 WeakPolarHBondContact OD2-CE 3.33Å; D895-K899 IonicContact OD2-NZ 2.8Å; D895-K899 PolarHBondContact OD2-NZ 3.27Å; A896-K899 PolarHBondContact O-N 3.19Å; K899-R901 VanDerWaalsContact C-N 3.29Å; K899-R901 PolarHBondContact O-N 3.31Å; K899-A902 PolarHBondContact O-N 2.77Å; K899-A903 PolarHBondContact O-N 3.41Å
900	M	88.7	Confident	85.2	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-43.6	174.8	-69.7	174.3	71.7	0	0	111.7	L877 N880 L881 V884 A896 L897 A902 A903 A904 I939 L961	L877-M900 HydrophobicContact CD2-CB 3.85Å; L877-M900 HydrophobicContact CD2-CE 4.34Å; L877-M900 HydrophobicContact CD2-CG 4.28Å; L877-M900 VanDerWaalsContact CD2-O 3.31Å; L877-M900 WeakPolarHBondContact CD2-O 3.39Å; N880-M900 HydrophobicContact CB-CG 3.4Å; N880-M900 HydrophobicContact CB-SD 3.97Å; L881-M900 HydrophobicContact CB-CE 3.95Å; L881-M900 HydrophobicContact CB-SD 4.43Å; L881-M900 HydrophobicContact CD1-CE 4.03Å; V884-M900 HydrophobicContact CG2-SD 4.18Å; A896-M900 VanDerWaalsContact O-CG 3.3Å; A896-M900 WeakPolarHBondContact O-CG 3.25Å; A896-M900 PolarHBondContact O-N 3.09Å; L897-M900 HydrophobicContact CD2-SD 4.09Å; L897-M900 PolarHBondContact O-N 3.47Å; M900-A902 PolarHBondContact O-N 2.8Å; M900-A903 PolarHBondContact O-N 2.61Å; M900-A904 WeakPolarHBondContact O-CB 3.28Å; M900-A904 PolarHBondContact O-N 3.06Å; M900-I939 HydrophobicContact CB-CD1 3.99Å; M900-L961 HydrophobicContact CE-CD1 3.58Å
901	R	91	Very high	84.4	Confident	86 Å²	86	48.1 Å²	48.1	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-44.7	179.6	-163.7	-176.9	-174.3	-87.9	-3.6	112.2	L897 T898 K899 A904 L905 I939 D940	L897-R901 WeakPolarHBondContact O-CB 3.33Å; L897-R901 PolarHBondContact O-N 3.33Å; T898-R901 PolarHBondContact O-N 3.3Å; K899-R901 VanDerWaalsContact C-N 3.29Å; K899-R901 PolarHBondContact O-N 3.31Å; R901-A904 PolarHBondContact O-N 3.37Å; R901-L905 HydrophobicContact CG-CD1 4.28Å; R901-L905 WeakPolarHBondContact O-CB 3.27Å; R901-L905 WeakPolarHBondContact O-CG 3.15Å; R901-L905 PolarHBondContact O-N 3.1Å; R901-I939 HydrophobicContact CB-CG2 3.75Å; R901-I939 HydrophobicContact CG-CG2 4.17Å; R901-D940 WeakPolarHBondContact CD-OD1 3.34Å; R901-D940 IonicContact CZ-OD1 3.23Å; R901-D940 IonicContact CZ-OD2 2.75Å; R901-D940 IonicContact NE-OD1 2.86Å; R901-D940 PolarHBondContact NE-OD1 2.94Å; R901-D940 IonicContact NE-OD2 3Å; R901-D940 PolarHBondContact NE-OD2 3.23Å; R901-D940 IonicContact NH2-OD1 3.6Å; R901-D940 IonicContact NH2-OD2 3.14Å; R901-D940 PolarHBondContact NH2-OD2 2.96Å
902	A	80.2	Confident	83.5	Confident	61 Å²	61	44.8 Å²	44.8	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-47.2	177.6	0	0	0	0	0	111	T898 K899 M900 A904 L905 D906	T898-A902 PolarHBondContact O-N 3.14Å; T898-A902 VanDerWaalsContact O-N 3.14Å; K899-A902 PolarHBondContact O-N 2.77Å; M900-A902 PolarHBondContact O-N 2.8Å; A902-A904 PolarHBondContact O-N 2.82Å; A902-L905 PolarHBondContact O-N 2.79Å; A902-D906 PolarHBondContact O-N 3.29Å
903	A	80.4	Confident	82.3	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-40.8	177.8	0	0	0	0	0	112.8	N873 T876 L877 K899 M900 D906 A907	N873-A903 HydrophobicContact CB-CB 4.27Å; N873-A903 WeakPolarHBondContact OD1-CA 3.45Å; T876-A903 HydrophobicContact CG2-CB 3.82Å; L877-A903 HydrophobicContact CG-CB 4.21Å; K899-A903 PolarHBondContact O-N 3.41Å; M900-A903 PolarHBondContact O-N 2.61Å; A903-D906 PolarHBondContact O-N 3.02Å; A903-A907 VanDerWaalsContact O-CB 3.23Å; A903-A907 WeakPolarHBondContact O-CB 3.44Å; A903-A907 PolarHBondContact O-N 2.86Å
904	A	85.1	Confident	81.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-42.6	176.6	0	0	0	0	0	112.6	L877 M900 R901 A902 D906 Q908 F932 L935 V936 I939	L877-A904 HydrophobicContact CD2-CB 4.22Å; M900-A904 WeakPolarHBondContact O-CB 3.28Å; M900-A904 PolarHBondContact O-N 3.06Å; R901-A904 PolarHBondContact O-N 3.37Å; A902-A904 PolarHBondContact O-N 2.82Å; A904-D906 VanDerWaalsContact C-N 3.3Å; A904-D906 PolarHBondContact O-N 3.29Å; A904-Q908 WeakPolarHBondContact O-CB 2.88Å; A904-Q908 PolarHBondContact O-N 3.5Å; A904-F932 HydrophobicContact CB-CD1 4.24Å; A904-F932 WeakPolarHBondContact O-CD1 3.49Å; A904-L935 HydrophobicContact CB-CD2 4.07Å; A904-V936 HydrophobicContact CB-CG2 3.82Å; A904-I939 HydrophobicContact CB-CD1 4.06Å
905	L	83.5	Confident	80.3	Confident	54 Å²	54	44.8 Å²	44.8	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-31.1	177.5	-76	169	0	0	0	112.7	R901 A902 V936	R901-L905 HydrophobicContact CG-CD1 4.28Å; R901-L905 WeakPolarHBondContact O-CB 3.27Å; R901-L905 WeakPolarHBondContact O-CG 3.15Å; R901-L905 PolarHBondContact O-N 3.1Å; A902-L905 PolarHBondContact O-N 2.79Å; L905-V936 HydrophobicContact CD2-CG1 4.29Å; L905-V936 HydrophobicContact CD2-CG2 3.97Å; L905-V936 HydrophobicContact CG-CG2 4.05Å
906	D	75.9	Confident	79.2	Confident	20 Å²	20	43.9 Å²	43.9	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-75.8	-47.6	175.4	-163.9	54.4	0	0	0	111.2	S802 N873 A902 A903 A904 Q908 K909 A910	S802-D906 WeakPolarHBondContact CB-OD1 3.5Å; N873-D906 PolarHBondContact ND2-OD2 3.47Å; A902-D906 PolarHBondContact O-N 3.29Å; A903-D906 PolarHBondContact O-N 3.02Å; A904-D906 VanDerWaalsContact C-N 3.3Å; A904-D906 PolarHBondContact O-N 3.29Å; D906-Q908 PolarHBondContact O-N 3.24Å; D906-K909 WeakPolarHBondContact O-CB 3.06Å; D906-K909 PolarHBondContact O-N 2.76Å; D906-A910 PolarHBondContact O-N 3.22Å
907	A	79.7	Confident	78.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-34.3	173.7	0	0	0	0	0	113.2	L870 N873 A903 K909 A910 F932	L870-A907 HydrophobicContact CD1-CB 3.53Å; N873-A907 HydrophobicContact CB-CB 3.9Å; A903-A907 VanDerWaalsContact O-CB 3.23Å; A903-A907 WeakPolarHBondContact O-CB 3.44Å; A903-A907 PolarHBondContact O-N 2.86Å; A907-K909 PolarHBondContact O-N 2.79Å; A907-A910 WeakPolarHBondContact O-CB 3.37Å; A907-A910 PolarHBondContact O-N 3.31Å; A907-A910 VanDerWaalsContact O-N 3.12Å; A907-F932 HydrophobicContact CB-CD1 4.12Å; A907-F932 HydrophobicContact CB-CE1 3.38Å; A907-F932 HydrophobicContact CB-CE2 4.37Å; A907-F932 HydrophobicContact CB-CZ 3.53Å
908	Q	81.1	Confident	77	Confident	34 Å²	34	52.5 Å²	52.5	16%	0.159	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.5	175.4	-174.3	177.5	46.5	0	0	113.2	A904 D906 R929 F932 D933	A904-Q908 WeakPolarHBondContact O-CB 2.88Å; A904-Q908 PolarHBondContact O-N 3.5Å; D906-Q908 PolarHBondContact O-N 3.24Å; Q908-R929 HydrophobicContact CG-CB 4.33Å; Q908-R929 HydrophobicContact CG-CG 4.3Å; Q908-R929 PolarHBondContact NE2-O 3.04Å; Q908-F932 HydrophobicContact CB-CB 3.73Å; Q908-F932 HydrophobicContact CB-CG 4.08Å; Q908-F932 HydrophobicContact CG-CB 3.83Å; Q908-D933 VanDerWaalsContact NE2-CG 3.29Å; Q908-D933 PolarHBondContact NE2-OD1 2.94Å
909	K	76.2	Confident	76.3	Confident	148 Å²	148	52.1 Å²	52.1	64%	0.643	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.6	178.6	-60.9	171.1	-170	169.2	0	112	D906 A907	D906-K909 WeakPolarHBondContact O-CB 3.06Å; D906-K909 PolarHBondContact O-N 2.76Å; A907-K909 PolarHBondContact O-N 2.79Å
910	A	73.7	Confident	75.8	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	30%	0.295	C	S	.	.	S	Bend	trans	-67.7	151.1	174.4	0	0	0	0	0	110.1	L870 D906 A907 F928	L870-A910 HydrophobicContact CB-CB 4.05Å; L870-A910 HydrophobicContact CD1-CB 4Å; L870-A910 HydrophobicContact CD2-CB 4.32Å; L870-A910 HydrophobicContact CG-CB 4.34Å; D906-A910 PolarHBondContact O-N 3.22Å; A907-A910 WeakPolarHBondContact O-CB 3.37Å; A907-A910 PolarHBondContact O-N 3.31Å; A907-A910 VanDerWaalsContact O-N 3.12Å; A910-F928 WeakPolarHBondContact O-CE1 3.4Å
911	T	72.1	Confident	75.3	Confident	63 Å²	63	56.6 Å²	56.6	39%	0.387	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-96.6	119.3	165	-57.2	0	0	0	0	106.4	L915 E916 M925	T911-L915 HydrophobicContact CG2-CB 4.39Å; T911-E916 HydrophobicContact CG2-CB 4.3Å; T911-E916 HydrophobicContact CG2-CG 3.69Å; T911-M925 HydrophobicContact CG2-CE 4.08Å; T911-M925 HydrophobicContact CG2-SD 3.91Å
912	P	70.7	Confident	75	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.2	179.2	32.1	-36.4	0	0	0	109.3	L870 K914 L915 E916 F928 Y972	L870-P912 HydrophobicContact CD2-CB 3.94Å; P912-K914 VanDerWaalsContact C-N 3.27Å; P912-K914 PolarHBondContact O-N 3.16Å; P912-K914 VanDerWaalsContact O-N 3.07Å; P912-L915 HydrophobicContact CG-CB 3.94Å; P912-L915 HydrophobicContact CG-CD1 3.74Å; P912-L915 HydrophobicContact CG-CG 3.82Å; P912-L915 PolarHBondContact O-N 3.26Å; P912-E916 PolarHBondContact O-N 2.86Å; P912-F928 HydrophobicContact CB-CD2 4.16Å; P912-F928 HydrophobicContact CB-CE2 3.65Å; P912-F928 HydrophobicContact CB-CZ 3.92Å; P912-F928 HydrophobicContact CG-CD1 4.03Å; P912-F928 HydrophobicContact CG-CD2 3.58Å; P912-F928 HydrophobicContact CG-CE1 4.04Å; P912-F928 HydrophobicContact CG-CE2 3.52Å; P912-F928 HydrophobicContact CG-CG 3.81Å; P912-F928 HydrophobicContact CG-CZ 3.76Å; P912-Y972 WeakPolarHBondContact CB-O 3.25Å
913	P	63.9	Low	75.2	Confident	52 Å²	52	55 Å²	55	34%	0.338	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-44.1	-47.7	-175.6	-34	37.6	0	0	0	114.2	Q660 L915 E916	Q660-P913 VanDerWaalsContact NE2-C 3.29Å; Q660-P913 VanDerWaalsContact NE2-CB 3.25Å; Q660-P913 PolarHBondContact NE2-O 3.07Å; Q660-P913 PolarHBondContact OE1-O 3.11Å; Q660-P913 VanDerWaalsContact OE1-O 3.12Å; P913-L915 PolarHBondContact O-N 2.89Å; P913-E916 PolarHBondContact O-N 2.76Å
914	K	67.5	Low	75.3	Confident	122 Å²	122	57.8 Å²	57.8	53%	0.53	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64	-19.8	-179.2	-86.7	-175.2	176.4	136.9	0	116.4	P912 K971 R973	P912-K914 VanDerWaalsContact C-N 3.27Å; P912-K914 PolarHBondContact O-N 3.16Å; P912-K914 VanDerWaalsContact O-N 3.07Å; K914-K971 PolarHBondContact NZ-O 3.48Å; K914-R973 VanDerWaalsContact CD-O 3.26Å; K914-R973 WeakPolarHBondContact CD-O 3.34Å; K914-R973 WeakPolarHBondContact CE-O 3.47Å; K914-R973 PolarHBondContact NZ-O 2.92Å
915	L	73.4	Confident	75.2	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.047	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-108.3	4.4	-175.5	-58.2	-174.9	0	0	0	112.8	T911 P912 P913 G917 K918 E924 M925 F928 Y972	T911-L915 HydrophobicContact CG2-CB 4.39Å; P912-L915 HydrophobicContact CG-CB 3.94Å; P912-L915 HydrophobicContact CG-CD1 3.74Å; P912-L915 HydrophobicContact CG-CG 3.82Å; P912-L915 PolarHBondContact O-N 3.26Å; P913-L915 PolarHBondContact O-N 2.89Å; L915-G917 PolarHBondContact O-N 3.45Å; L915-K918 VanDerWaalsContact O-CB 3.26Å; L915-K918 WeakPolarHBondContact O-CB 3.33Å; L915-K918 PolarHBondContact O-N 2.98Å; L915-K918 VanDerWaalsContact O-N 3.11Å; L915-E924 HydrophobicContact CD1-CB 4.27Å; L915-E924 WeakPolarHBondContact CD1-O 3.43Å; L915-E924 HydrophobicContact CD2-CB 3.53Å; L915-E924 HydrophobicContact CD2-CG 4.42Å; L915-M925 HydrophobicContact CB-CG 4.22Å; L915-M925 HydrophobicContact CB-SD 3.51Å; L915-M925 VanDerWaalsContact CB-SD 3.51Å; L915-M925 HydrophobicContact CD1-CG 4.22Å; L915-M925 HydrophobicContact CD1-SD 3.6Å; L915-M925 HydrophobicContact CG-SD 4.23Å; L915-F928 HydrophobicContact CD1-CB 3.64Å; L915-F928 HydrophobicContact CD1-CG 4.23Å; L915-Y972 HydrophobicContact CD1-CD1 3.57Å; L915-Y972 HydrophobicContact CD1-CE1 3.74Å; L915-Y972 HydrophobicContact CD1-CG 4.27Å; L915-Y972 HydrophobicContact CD2-CD1 3.92Å; L915-Y972 HydrophobicContact CD2-CE1 3.94Å; L915-Y972 HydrophobicContact CG-CD1 3.76Å; L915-Y972 HydrophobicContact CG-CE1 4.15Å
916	E	66	Low	75.4	Confident	66 Å²	66	60.9 Å²	60.9	31%	0.308	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	136	177.1	-62.5	-178.2	125	0	0	110.8	Q660 W664 T911 P912 P913 K918	Q660-E916 PolarHBondContact NE2-OE2 2.97Å; W664-E916 HydrophobicContact CG-CB 4.35Å; W664-E916 WeakPolarHBondContact CZ2-OE2 3.19Å; W664-E916 PolarHBondContact NE1-OE2 3.47Å; T911-E916 HydrophobicContact CG2-CB 4.3Å; T911-E916 HydrophobicContact CG2-CG 3.69Å; P912-E916 PolarHBondContact O-N 2.86Å; P913-E916 PolarHBondContact O-N 2.76Å; E916-K918 VanDerWaalsContact C-N 3.28Å; E916-K918 PolarHBondContact O-N 2.99Å
917	G	65.1	Low	75.8	Confident	79 Å²	79	62.1 Å²	62.1	81%	0.814	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-16	-171.4	0	0	0	0	0	114.5	L915	L915-G917 PolarHBondContact O-N 3.45Å
918	K	68.9	Low	76	Confident	101 Å²	101	62.4 Å²	62.4	44%	0.439	35%	0.349	S	S	.	.	S	Bend	trans	-69.4	142.6	167.6	-64.2	-79	179.9	158.7	0	109.1	L915 E916 E924 M925	L915-K918 VanDerWaalsContact O-CB 3.26Å; L915-K918 WeakPolarHBondContact O-CB 3.33Å; L915-K918 PolarHBondContact O-N 2.98Å; L915-K918 VanDerWaalsContact O-N 3.11Å; E916-K918 VanDerWaalsContact C-N 3.28Å; E916-K918 PolarHBondContact O-N 2.99Å; K918-E924 IonicContact NZ-OE1 3.73Å; K918-E924 PolarHBondContact NZ-OE1 3.42Å; K918-M925 HydrophobicContact CB-CG 4.33Å
919	S	74.3	Confident	76.2	Confident	66 Å²	66	63.9 Å²	63.9	46%	0.462	35%	0.353	S	S	.	.			trans	-52.5	140.8	171.1	169.9	0	0	0	0	109.5	D921 S922	S919-D921 PolarHBondContact O-N 2.93Å; S919-D921 PolarHBondContact OG-N 3.18Å; S919-D921 VanDerWaalsContact OG-N 3.15Å; S919-S922 VanDerWaalsContact O-CB 3.29Å; S919-S922 WeakPolarHBondContact O-CB 3.48Å; S919-S922 PolarHBondContact O-N 3.4Å; S919-S922 PolarHBondContact O-OG 3Å
920	P	73.7	Confident	76.8	Confident	86 Å²	86	61.4 Å²	61.4	56%	0.558	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-27.5	170.5	-26.8	34.1	0	0	0	112.2	R929	P920-R929 VanDerWaalsContact O-CZ 3.27Å; P920-R929 PolarHBondContact O-NH1 3.21Å; P920-R929 VanDerWaalsContact O-NH1 3.08Å; P920-R929 PolarHBondContact O-NH2 2.92Å
921	D	79.9	Confident	77.4	Confident	109 Å²	109	60.2 Å²	60.2	58%	0.583	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6.1	-179.2	-67.4	-45.1	0	0	0	115.6	S919 K926	S919-D921 PolarHBondContact O-N 2.93Å; S919-D921 PolarHBondContact OG-N 3.18Å; S919-D921 VanDerWaalsContact OG-N 3.15Å; D921-K926 VanDerWaalsContact O-CE 3.23Å; D921-K926 WeakPolarHBondContact O-CE 3.4Å; D921-K926 PolarHBondContact O-NZ 3.42Å
922	S	83.2	Confident	78	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.084	32%	0.318	C	S	.	.	S	Bend	trans	-59.3	149.2	178.4	60.5	0	0	0	0	112.2	S919 E924 M925 K926	S919-S922 VanDerWaalsContact O-CB 3.29Å; S919-S922 WeakPolarHBondContact O-CB 3.48Å; S919-S922 PolarHBondContact O-N 3.4Å; S919-S922 PolarHBondContact O-OG 3Å; S922-E924 PolarHBondContact O-N 2.99Å; S922-M925 PolarHBondContact O-N 3.12Å; S922-M925 VanDerWaalsContact OG-CB 3.3Å; S922-M925 WeakPolarHBondContact OG-CB 3.41Å; S922-M925 WeakPolarHBondContact OG-CG 2.95Å; S922-M925 PolarHBondContact OG-N 2.99Å; S922-K926 WeakPolarHBondContact O-CB 3.41Å; S922-K926 WeakPolarHBondContact O-CG 3.17Å; S922-K926 PolarHBondContact O-N 2.71Å
923	P	85.1	Confident	78.9	Confident	102 Å²	102	61.8 Å²	61.8	66%	0.662	34%	0.34	S	S	*	.	H	α-helix	trans	-51.5	-38.1	174.2	-26.8	34.5	0	0	0	113.2	K926 D927	P923-K926 PolarHBondContact O-N 3.4Å; P923-D927 WeakPolarHBondContact O-CB 3.49Å; P923-D927 PolarHBondContact O-N 3.48Å
924	E	83	Confident	80.1	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.29	34%	0.338	S	S	.	.	H	α-helix	trans	-73.2	-42.4	-178.2	-54.2	94.5	133.7	0	0	112.3	L915 K918 S922 K926 D927 F928 Y972	L915-E924 HydrophobicContact CD1-CB 4.27Å; L915-E924 WeakPolarHBondContact CD1-O 3.43Å; L915-E924 HydrophobicContact CD2-CB 3.53Å; L915-E924 HydrophobicContact CD2-CG 4.42Å; K918-E924 IonicContact NZ-OE1 3.73Å; K918-E924 PolarHBondContact NZ-OE1 3.42Å; S922-E924 PolarHBondContact O-N 2.99Å; E924-K926 VanDerWaalsContact C-N 3.3Å; E924-K926 PolarHBondContact O-N 2.82Å; E924-D927 PolarHBondContact O-N 3.49Å; E924-F928 PolarHBondContact O-N 3.27Å; E924-Y972 HydrophobicContact CB-CE1 4.47Å
925	M	83.2	Confident	81.1	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-36.2	172.6	-79.7	-62.4	-69.7	0	0	111.9	T911 L915 K918 S922 R929	T911-M925 HydrophobicContact CG2-CE 4.08Å; T911-M925 HydrophobicContact CG2-SD 3.91Å; L915-M925 HydrophobicContact CB-CG 4.22Å; L915-M925 HydrophobicContact CB-SD 3.51Å; L915-M925 VanDerWaalsContact CB-SD 3.51Å; L915-M925 HydrophobicContact CD1-CG 4.22Å; L915-M925 HydrophobicContact CD1-SD 3.6Å; L915-M925 HydrophobicContact CG-SD 4.23Å; K918-M925 HydrophobicContact CB-CG 4.33Å; S922-M925 PolarHBondContact O-N 3.12Å; S922-M925 VanDerWaalsContact OG-CB 3.3Å; S922-M925 WeakPolarHBondContact OG-CB 3.41Å; S922-M925 WeakPolarHBondContact OG-CG 2.95Å; S922-M925 PolarHBondContact OG-N 2.99Å; M925-R929 WeakPolarHBondContact O-CB 3.26Å; M925-R929 WeakPolarHBondContact O-CG 3.4Å; M925-R929 PolarHBondContact O-N 3.07Å
926	K	85.9	Confident	81.9	Confident	112 Å²	112	56.9 Å²	56.9	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-44	173.2	-77	171.4	174.4	152.8	0	111.2	D921 S922 P923 E924 R929 H930	D921-K926 VanDerWaalsContact O-CE 3.23Å; D921-K926 WeakPolarHBondContact O-CE 3.4Å; D921-K926 PolarHBondContact O-NZ 3.42Å; S922-K926 WeakPolarHBondContact O-CB 3.41Å; S922-K926 WeakPolarHBondContact O-CG 3.17Å; S922-K926 PolarHBondContact O-N 2.71Å; P923-K926 PolarHBondContact O-N 3.4Å; E924-K926 VanDerWaalsContact C-N 3.3Å; E924-K926 PolarHBondContact O-N 2.82Å; K926-R929 PolarHBondContact O-N 3.12Å; K926-H930 WeakPolarHBondContact O-CB 3.23Å; K926-H930 PolarHBondContact O-N 2.87Å
927	D	85.9	Confident	83.1	Confident	46 Å²	46	55.3 Å²	55.3	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-42.3	177.7	-173	74.6	0	0	0	112.4	P923 E924 H930 G931 Y968 K971 Y972	P923-D927 WeakPolarHBondContact O-CB 3.49Å; P923-D927 PolarHBondContact O-N 3.48Å; E924-D927 PolarHBondContact O-N 3.49Å; D927-H930 PolarHBondContact O-N 2.72Å; D927-G931 PolarHBondContact O-N 3.08Å; D927-Y968 VanDerWaalsContact O-CE1 3.29Å; D927-Y968 WeakPolarHBondContact O-CE1 3.37Å; D927-K971 IonicContact OD2-NZ 3.58Å; D927-K971 PolarHBondContact OD2-NZ 2.91Å; D927-Y972 VanDerWaalsContact CB-OH 3.31Å; D927-Y972 WeakPolarHBondContact CB-OH 3.06Å; D927-Y972 VanDerWaalsContact CG-OH 3.27Å; D927-Y972 WeakPolarHBondContact OD2-CE2 3.29Å; D927-Y972 PolarHBondContact OD2-OH 3.31Å
928	F	83.6	Confident	84.4	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-51.9	173.2	171	-100.4	0	0	0	112.1	A910 P912 L915 E924 H930 G931 F932 Y972	A910-F928 WeakPolarHBondContact O-CE1 3.4Å; P912-F928 HydrophobicContact CB-CD2 4.16Å; P912-F928 HydrophobicContact CB-CE2 3.65Å; P912-F928 HydrophobicContact CB-CZ 3.92Å; P912-F928 HydrophobicContact CG-CD1 4.03Å; P912-F928 HydrophobicContact CG-CD2 3.58Å; P912-F928 HydrophobicContact CG-CE1 4.04Å; P912-F928 HydrophobicContact CG-CE2 3.52Å; P912-F928 HydrophobicContact CG-CG 3.81Å; P912-F928 HydrophobicContact CG-CZ 3.76Å; L915-F928 HydrophobicContact CD1-CB 3.64Å; L915-F928 HydrophobicContact CD1-CG 4.23Å; E924-F928 PolarHBondContact O-N 3.27Å; F928-H930 VanDerWaalsContact C-N 3.3Å; F928-H930 PolarHBondContact O-N 2.91Å; F928-G931 PolarHBondContact O-N 3.31Å; F928-G931 VanDerWaalsContact O-N 3.14Å; F928-F932 HydrophobicContact CD2-CE2 4.21Å; F928-F932 HydrophobicContact CE1-CD2 4.07Å; F928-F932 HydrophobicContact CE1-CE2 4Å; F928-F932 HydrophobicContact CE2-CD2 4.12Å; F928-F932 AromaticContact CE2-CE2 3.47Å; F928-F932 HydrophobicContact CE2-CE2 3.47Å; F928-F932 VanDerWaalsContact CE2-CE2 3.47Å; F928-F932 AromaticContact CZ-CD2 3.87Å; F928-F932 HydrophobicContact CZ-CD2 3.87Å; F928-F932 AromaticContact CZ-CE2 3.33Å; F928-F932 HydrophobicContact CZ-CE2 3.33Å; F928-F932 HydrophobicContact CZ-CZ 4.33Å; F928-F932 PolarHBondContact O-N 3.37Å; F928-Y972 HydrophobicContact CB-CD1 4.47Å; F928-Y972 HydrophobicContact CB-CD2 3.83Å; F928-Y972 HydrophobicContact CB-CE2 3.86Å; F928-Y972 HydrophobicContact CB-CG 4.14Å; F928-Y972 AromaticContact CD2-CD2 3.62Å; F928-Y972 HydrophobicContact CD2-CD2 3.62Å; F928-Y972 HydrophobicContact CD2-CE2 4.47Å; F928-Y972 AromaticContact CD2-CG 3.75Å; F928-Y972 HydrophobicContact CD2-CG 3.75Å; F928-Y972 HydrophobicContact CG-CD2 4.22Å; F928-Y972 HydrophobicContact CG-CG 4.39Å
929	R	86.1	Confident	85.6	Confident	64 Å²	64	48.3 Å²	48.3	24%	0.242	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-33	-179.5	-69.9	-169.6	-60	-110.5	-8.9	112.4	Q908 P920 M925 K926 G931 F932 D933	Q908-R929 HydrophobicContact CG-CB 4.33Å; Q908-R929 HydrophobicContact CG-CG 4.3Å; Q908-R929 PolarHBondContact NE2-O 3.04Å; P920-R929 VanDerWaalsContact O-CZ 3.27Å; P920-R929 PolarHBondContact O-NH1 3.21Å; P920-R929 VanDerWaalsContact O-NH1 3.08Å; P920-R929 PolarHBondContact O-NH2 2.92Å; M925-R929 WeakPolarHBondContact O-CB 3.26Å; M925-R929 WeakPolarHBondContact O-CG 3.4Å; M925-R929 PolarHBondContact O-N 3.07Å; K926-R929 PolarHBondContact O-N 3.12Å; R929-G931 VanDerWaalsContact C-N 3.31Å; R929-G931 PolarHBondContact O-N 3.45Å; R929-F932 PolarHBondContact O-N 2.82Å; R929-D933 PolarHBondContact O-N 2.98Å
930	H	87.2	Confident	86.6	Confident	96 Å²	96	48 Å²	48	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-38	172.6	-176.6	56	0	0	0	111.9	K926 D927 F928 F932 D933 I934	K926-H930 WeakPolarHBondContact O-CB 3.23Å; K926-H930 PolarHBondContact O-N 2.87Å; D927-H930 PolarHBondContact O-N 2.72Å; F928-H930 VanDerWaalsContact C-N 3.3Å; F928-H930 PolarHBondContact O-N 2.91Å; H930-F932 VanDerWaalsContact C-N 3.28Å; H930-F932 PolarHBondContact O-N 3.14Å; H930-D933 WeakPolarHBondContact O-CB 3.26Å; H930-D933 PolarHBondContact O-N 3.14Å; H930-D933 VanDerWaalsContact O-N 3.13Å; H930-I934 WeakPolarHBondContact O-CG1 3.39Å; H930-I934 PolarHBondContact O-N 3.45Å
931	G	86.1	Confident	87.5	Confident	3 Å²	3	49 Å²	49	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-40.3	172.4	0	0	0	0	0	113.4	D927 F928 R929 L935 Y968	D927-G931 PolarHBondContact O-N 3.08Å; F928-G931 PolarHBondContact O-N 3.31Å; F928-G931 VanDerWaalsContact O-N 3.14Å; R929-G931 VanDerWaalsContact C-N 3.31Å; R929-G931 PolarHBondContact O-N 3.45Å; G931-L935 PolarHBondContact O-N 3.4Å; G931-L935 VanDerWaalsContact O-N 3.08Å; G931-Y968 VanDerWaalsContact CA-CD2 3.49Å; G931-Y968 VanDerWaalsContact CA-CE1 3.47Å; G931-Y968 VanDerWaalsContact CA-CE2 3.43Å; G931-Y968 VanDerWaalsContact CA-CZ 3.41Å
932	F	85.9	Confident	88.2	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.044	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-33.2	173.5	-80.6	-79.4	0	0	0	113.4	M874 L877 A904 A907 Q908 F928 R929 H930 I934 L935 V936	M874-F932 HydrophobicContact SD-CE1 4.23Å; M874-F932 HydrophobicContact SD-CZ 3.87Å; L877-F932 HydrophobicContact CD1-CE1 4.35Å; A904-F932 HydrophobicContact CB-CD1 4.24Å; A904-F932 WeakPolarHBondContact O-CD1 3.49Å; A907-F932 HydrophobicContact CB-CD1 4.12Å; A907-F932 HydrophobicContact CB-CE1 3.38Å; A907-F932 HydrophobicContact CB-CE2 4.37Å; A907-F932 HydrophobicContact CB-CZ 3.53Å; Q908-F932 HydrophobicContact CB-CB 3.73Å; Q908-F932 HydrophobicContact CB-CG 4.08Å; Q908-F932 HydrophobicContact CG-CB 3.83Å; F928-F932 HydrophobicContact CD2-CE2 4.21Å; F928-F932 HydrophobicContact CE1-CD2 4.07Å; F928-F932 HydrophobicContact CE1-CE2 4Å; F928-F932 HydrophobicContact CE2-CD2 4.12Å; F928-F932 AromaticContact CE2-CE2 3.47Å; F928-F932 HydrophobicContact CE2-CE2 3.47Å; F928-F932 VanDerWaalsContact CE2-CE2 3.47Å; F928-F932 AromaticContact CZ-CD2 3.87Å; F928-F932 HydrophobicContact CZ-CD2 3.87Å; F928-F932 AromaticContact CZ-CE2 3.33Å; F928-F932 HydrophobicContact CZ-CE2 3.33Å; F928-F932 HydrophobicContact CZ-CZ 4.33Å; F928-F932 PolarHBondContact O-N 3.37Å; R929-F932 PolarHBondContact O-N 2.82Å; H930-F932 VanDerWaalsContact C-N 3.28Å; H930-F932 PolarHBondContact O-N 3.14Å; F932-I934 VanDerWaalsContact C-N 3.31Å; F932-I934 PolarHBondContact O-N 2.95Å; F932-L935 HydrophobicContact CD1-CD2 4.1Å; F932-L935 HydrophobicContact CE1-CD2 4.16Å; F932-L935 PolarHBondContact O-N 2.94Å; F932-V936 WeakPolarHBondContact O-CB 3.22Å; F932-V936 VanDerWaalsContact O-CG2 3.31Å; F932-V936 WeakPolarHBondContact O-CG2 3.44Å; F932-V936 PolarHBondContact O-N 3.3Å
933	D	88.2	Confident	88.6	Confident	88 Å²	88	44 Å²	44	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-44	171.9	-73.5	-39.8	0	0	0	111.3	Q908 R929 H930 V936 G937	Q908-D933 VanDerWaalsContact NE2-CG 3.29Å; Q908-D933 PolarHBondContact NE2-OD1 2.94Å; R929-D933 PolarHBondContact O-N 2.98Å; H930-D933 WeakPolarHBondContact O-CB 3.26Å; H930-D933 PolarHBondContact O-N 3.14Å; H930-D933 VanDerWaalsContact O-N 3.13Å; D933-V936 PolarHBondContact O-N 2.99Å; D933-G937 PolarHBondContact O-N 3.37Å
934	I	89.4	Confident	89.1	Confident	58 Å²	58	45.4 Å²	45.4	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-46.6	175.1	-62.5	166.7	0	0	0	109.9	H930 F932 V936 G937 Q938 T964 Y968	H930-I934 WeakPolarHBondContact O-CG1 3.39Å; H930-I934 PolarHBondContact O-N 3.45Å; F932-I934 VanDerWaalsContact C-N 3.31Å; F932-I934 PolarHBondContact O-N 2.95Å; I934-V936 PolarHBondContact O-N 3.36Å; I934-G937 PolarHBondContact O-N 3.28Å; I934-Q938 HydrophobicContact CG2-CG 4.44Å; I934-Q938 WeakPolarHBondContact O-CG 3.45Å; I934-Q938 PolarHBondContact O-N 3.39Å; I934-T964 HydrophobicContact CB-CG2 4.11Å; I934-T964 HydrophobicContact CG2-CG2 3.72Å; I934-Y968 HydrophobicContact CD1-CE2 4.2Å
935	L	88.9	Confident	89.6	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-44	-179	-164.5	74.5	0	0	0	111.8	L877 A904 G931 F932 Q938 I939 L961 T964 R965	L877-L935 HydrophobicContact CD1-CD2 3.88Å; L877-L935 HydrophobicContact CD2-CD2 4.2Å; A904-L935 HydrophobicContact CB-CD2 4.07Å; G931-L935 PolarHBondContact O-N 3.4Å; G931-L935 VanDerWaalsContact O-N 3.08Å; F932-L935 HydrophobicContact CD1-CD2 4.1Å; F932-L935 HydrophobicContact CE1-CD2 4.16Å; F932-L935 PolarHBondContact O-N 2.94Å; L935-Q938 PolarHBondContact O-N 3.14Å; L935-I939 HydrophobicContact CG-CD1 4.34Å; L935-I939 VanDerWaalsContact O-CG1 3.27Å; L935-I939 WeakPolarHBondContact O-CG1 3.3Å; L935-I939 PolarHBondContact O-N 3.06Å; L935-L961 HydrophobicContact CD1-CB 4.11Å; L935-L961 HydrophobicContact CD1-CD2 3.68Å; L935-L961 HydrophobicContact CG-CD2 4.22Å; L935-T964 HydrophobicContact CD1-CG2 4.38Å; L935-R965 HydrophobicContact CD1-CB 4.23Å
936	V	91.3	Very high	90	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-43.5	176.5	171.6	0	0	0	0	110.9	A904 L905 F932 D933 I934 Q938 I939 D940	A904-V936 HydrophobicContact CB-CG2 3.82Å; L905-V936 HydrophobicContact CD2-CG1 4.29Å; L905-V936 HydrophobicContact CD2-CG2 3.97Å; L905-V936 HydrophobicContact CG-CG2 4.05Å; F932-V936 WeakPolarHBondContact O-CB 3.22Å; F932-V936 VanDerWaalsContact O-CG2 3.31Å; F932-V936 WeakPolarHBondContact O-CG2 3.44Å; F932-V936 PolarHBondContact O-N 3.3Å; D933-V936 PolarHBondContact O-N 2.99Å; I934-V936 PolarHBondContact O-N 3.36Å; V936-Q938 PolarHBondContact O-N 2.87Å; V936-I939 PolarHBondContact O-N 2.99Å; V936-D940 PolarHBondContact O-N 3.42Å
937	G	90.9	Very high	90.3	Very high	33 Å²	33	43.6 Å²	43.6	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-44.5	175.6	0	0	0	0	0	112.8	D933 I934 I939 D940 D941	D933-G937 PolarHBondContact O-N 3.37Å; I934-G937 PolarHBondContact O-N 3.28Å; G937-I939 VanDerWaalsContact C-N 3.34Å; G937-I939 PolarHBondContact O-N 2.91Å; G937-D940 PolarHBondContact O-N 3.41Å; G937-D941 PolarHBondContact O-N 3.41Å
938	Q	92.7	Very high	90.7	Very high	33 Å²	33	46.3 Å²	46.3	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-38.1	176.1	-72.2	178.1	-44.1	0	0	112.4	I934 L935 V936 A942 L961 T964	I934-Q938 HydrophobicContact CG2-CG 4.44Å; I934-Q938 WeakPolarHBondContact O-CG 3.45Å; I934-Q938 PolarHBondContact O-N 3.39Å; L935-Q938 PolarHBondContact O-N 3.14Å; V936-Q938 PolarHBondContact O-N 2.87Å; Q938-A942 PolarHBondContact O-N 2.67Å; Q938-A942 VanDerWaalsContact O-N 3.16Å; Q938-L961 HydrophobicContact CB-CD2 3.29Å; Q938-L961 HydrophobicContact CB-CG 4.28Å; Q938-L961 HydrophobicContact CG-CD2 4.37Å; Q938-T964 PolarHBondContact NE2-OG1 2.87Å; Q938-T964 PolarHBondContact OE1-OG1 2.67Å
939	I	93.5	Very high	91	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-40.5	175	-66.7	163.8	0	0	0	110.7	L877 L897 M900 R901 A904 L935 V936 G937 A942 L943 L961	L877-I939 HydrophobicContact CD2-CD1 4.31Å; L897-I939 HydrophobicContact CB-CG2 4.34Å; L897-I939 HydrophobicContact CD2-CG2 4.38Å; L897-I939 WeakPolarHBondContact O-CG2 3.3Å; M900-I939 HydrophobicContact CB-CD1 3.99Å; R901-I939 HydrophobicContact CB-CG2 3.75Å; R901-I939 HydrophobicContact CG-CG2 4.17Å; A904-I939 HydrophobicContact CB-CD1 4.06Å; L935-I939 HydrophobicContact CG-CD1 4.34Å; L935-I939 VanDerWaalsContact O-CG1 3.27Å; L935-I939 WeakPolarHBondContact O-CG1 3.3Å; L935-I939 PolarHBondContact O-N 3.06Å; V936-I939 PolarHBondContact O-N 2.99Å; G937-I939 VanDerWaalsContact C-N 3.34Å; G937-I939 PolarHBondContact O-N 2.91Å; I939-A942 PolarHBondContact O-N 3.36Å; I939-L943 HydrophobicContact CG2-CD1 4.02Å; I939-L943 HydrophobicContact CG2-CG 4.43Å; I939-L943 WeakPolarHBondContact O-CB 3.48Å; I939-L943 WeakPolarHBondContact O-CG 3.24Å; I939-L943 PolarHBondContact O-N 3.02Å; I939-L961 HydrophobicContact CG1-CD1 3.89Å; I939-L961 HydrophobicContact CG1-CD2 3.66Å; I939-L961 HydrophobicContact CG1-CG 4.48Å
940	D	94.7	Very high	91.3	Very high	59 Å²	59	49.1 Å²	49.1	32%	0.316	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-39.8	178.8	-81.4	-24.2	0	0	0	112.5	R901 V936 G937 L943 K944	R901-D940 WeakPolarHBondContact CD-OD1 3.34Å; R901-D940 IonicContact CZ-OD1 3.23Å; R901-D940 IonicContact CZ-OD2 2.75Å; R901-D940 IonicContact NE-OD1 2.86Å; R901-D940 PolarHBondContact NE-OD1 2.94Å; R901-D940 IonicContact NE-OD2 3Å; R901-D940 PolarHBondContact NE-OD2 3.23Å; R901-D940 IonicContact NH2-OD1 3.6Å; R901-D940 IonicContact NH2-OD2 3.14Å; R901-D940 PolarHBondContact NH2-OD2 2.96Å; V936-D940 PolarHBondContact O-N 3.42Å; G937-D940 PolarHBondContact O-N 3.41Å; D940-L943 PolarHBondContact O-N 2.69Å; D940-K944 PolarHBondContact O-N 2.92Å
941	D	93.6	Very high	91.5	Very high	106 Å²	106	45.9 Å²	45.9	57%	0.567	25%	0.252	S	S	*	.	H	α-helix	trans	-63.2	-43.9	173.6	-76	-24	0	0	0	111.9	G937 L943 K944 L945	G937-D941 PolarHBondContact O-N 3.41Å; D941-L943 PolarHBondContact O-N 3.29Å; D941-K944 WeakPolarHBondContact O-CB 3.34Å; D941-K944 PolarHBondContact O-N 3.21Å; D941-L945 PolarHBondContact O-N 2.77Å
942	A	93.2	Very high	91.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-39.6	175.4	0	0	0	0	0	111.9	L897 Q938 I939 K944 L945 A946 A954 A957	L897-A942 HydrophobicContact CD1-CB 3.67Å; L897-A942 HydrophobicContact CD2-CB 3.98Å; Q938-A942 PolarHBondContact O-N 2.67Å; Q938-A942 VanDerWaalsContact O-N 3.16Å; I939-A942 PolarHBondContact O-N 3.36Å; A942-K944 VanDerWaalsContact C-N 3.34Å; A942-K944 PolarHBondContact O-N 2.57Å; A942-L945 PolarHBondContact O-N 2.81Å; A942-A946 WeakPolarHBondContact O-CB 3.49Å; A942-A946 PolarHBondContact O-N 3.34Å; A942-A954 WeakPolarHBondContact O-CB 3.46Å; A942-A957 HydrophobicContact CB-CB 4.04Å
943	L	93.4	Very high	92	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-39.6	175.8	-86.2	168.4	0	0	0	112	K894 L897 I939 D940 D941 A946 N947	K894-L943 HydrophobicContact CG-CD2 4.22Å; L897-L943 HydrophobicContact CB-CD1 4.46Å; L897-L943 HydrophobicContact CB-CD2 3.59Å; L897-L943 HydrophobicContact CB-CG 3.72Å; L897-L943 HydrophobicContact CD1-CD2 4.22Å; L897-L943 HydrophobicContact CD1-CG 4.14Å; I939-L943 HydrophobicContact CG2-CD1 4.02Å; I939-L943 HydrophobicContact CG2-CG 4.43Å; I939-L943 WeakPolarHBondContact O-CB 3.48Å; I939-L943 WeakPolarHBondContact O-CG 3.24Å; I939-L943 PolarHBondContact O-N 3.02Å; D940-L943 PolarHBondContact O-N 2.69Å; D941-L943 PolarHBondContact O-N 3.29Å; L943-A946 PolarHBondContact O-N 3.36Å; L943-N947 WeakPolarHBondContact O-CB 3.49Å; L943-N947 VanDerWaalsContact O-CG 3.29Å; L943-N947 PolarHBondContact O-N 3.42Å; L943-N947 PolarHBondContact O-ND2 3.05Å
944	K	94	Very high	92.1	Very high	131 Å²	131	54.2 Å²	54.2	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-60.7	-47.1	176.3	-174	-179	176.1	-175.4	0	111.3	D940 D941 A942 A946 N947 E948	D940-K944 PolarHBondContact O-N 2.92Å; D941-K944 WeakPolarHBondContact O-CB 3.34Å; D941-K944 PolarHBondContact O-N 3.21Å; A942-K944 VanDerWaalsContact C-N 3.34Å; A942-K944 PolarHBondContact O-N 2.57Å; K944-A946 VanDerWaalsContact C-N 3.35Å; K944-A946 PolarHBondContact O-N 3.28Å; K944-N947 PolarHBondContact O-N 2.88Å; K944-E948 PolarHBondContact O-N 2.94Å; K944-E948 VanDerWaalsContact O-N 3.07Å
945	L	94.7	Very high	92.2	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-41.7	176.6	-66.8	168	0	0	0	111.8	D941 A942 N947 E948 G949 K950 E953 A954 A957	D941-L945 PolarHBondContact O-N 2.77Å; A942-L945 PolarHBondContact O-N 2.81Å; L945-N947 PolarHBondContact O-N 2.95Å; L945-E948 PolarHBondContact O-N 3.29Å; L945-G949 PolarHBondContact O-N 2.84Å; L945-K950 HydrophobicContact CD2-CD 4.29Å; L945-K950 WeakPolarHBondContact O-CB 3.33Å; L945-K950 PolarHBondContact O-N 2.71Å; L945-E953 HydrophobicContact CD1-CB 4.09Å; L945-E953 HydrophobicContact CD2-CB 4.23Å; L945-A954 HydrophobicContact CB-CB 3.92Å; L945-A957 HydrophobicContact CD1-CB 4Å
946	A	91.7	Very high	92.2	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-40.3	175.2	0	0	0	0	0	112.1	V893 L897 A942 L943 K944 E948 G949 A954	V893-A946 HydrophobicContact CB-CB 4.42Å; V893-A946 HydrophobicContact CG1-CB 3.86Å; L897-A946 HydrophobicContact CD1-CB 4.43Å; A942-A946 WeakPolarHBondContact O-CB 3.49Å; A942-A946 PolarHBondContact O-N 3.34Å; L943-A946 PolarHBondContact O-N 3.36Å; K944-A946 VanDerWaalsContact C-N 3.35Å; K944-A946 PolarHBondContact O-N 3.28Å; A946-E948 VanDerWaalsContact C-N 3.28Å; A946-E948 PolarHBondContact O-N 3.46Å; A946-G949 PolarHBondContact O-N 3.41Å; A946-A954 HydrophobicContact CB-CB 4.09Å
947	N	91.5	Very high	92.1	Very high	98 Å²	98	56.4 Å²	56.4	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-28.6	175.9	-75.1	-45.4	0	0	0	113	K894 L943 K944 L945 G949	K894-N947 WeakPolarHBondContact CD-OD1 3.24Å; K894-N947 WeakPolarHBondContact CE-OD1 3.23Å; K894-N947 PolarHBondContact NZ-OD1 3.17Å; L943-N947 WeakPolarHBondContact O-CB 3.49Å; L943-N947 VanDerWaalsContact O-CG 3.29Å; L943-N947 PolarHBondContact O-N 3.42Å; L943-N947 PolarHBondContact O-ND2 3.05Å; K944-N947 PolarHBondContact O-N 2.88Å; L945-N947 PolarHBondContact O-N 2.95Å; N947-G949 PolarHBondContact O-N 3.33Å
948	E	94.1	Very high	91.9	Very high	102 Å²	102	54.9 Å²	54.9	48%	0.477	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.4	171.7	-68.1	175.1	-168.4	0	0	112.8	K944 L945 A946 K950	K944-E948 PolarHBondContact O-N 2.94Å; K944-E948 VanDerWaalsContact O-N 3.07Å; L945-E948 PolarHBondContact O-N 3.29Å; A946-E948 VanDerWaalsContact C-N 3.28Å; A946-E948 PolarHBondContact O-N 3.46Å; E948-K950 VanDerWaalsContact C-N 3.31Å; E948-K950 HydrophobicContact CB-CD 4.41Å; E948-K950 HydrophobicContact CB-CG 4.06Å; E948-K950 WeakPolarHBondContact OE2-CE 3.44Å; E948-K950 IonicContact OE2-NZ 3.13Å; E948-K950 PolarHBondContact OE2-NZ 3.1Å
949	G	89.9	Confident	91.5	Very high	49 Å²	49	59.6 Å²	59.6	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	9.5	-178.2	0	0	0	0	0	114.4	L945 A946 N947 V951	L945-G949 PolarHBondContact O-N 2.84Å; A946-G949 PolarHBondContact O-N 3.41Å; N947-G949 PolarHBondContact O-N 3.33Å; G949-V951 PolarHBondContact O-N 3.32Å; G949-V951 VanDerWaalsContact O-N 3.14Å
950	K	92.6	Very high	91	Very high	81 Å²	81	65.3 Å²	65.3	35%	0.352	34%	0.339	S	S	.	.			trans	-90.1	71.3	-174.5	-54.2	-170.9	-169.3	154	0	112	L945 E948 K952 E953 A954	L945-K950 HydrophobicContact CD2-CD 4.29Å; L945-K950 WeakPolarHBondContact O-CB 3.33Å; L945-K950 PolarHBondContact O-N 2.71Å; E948-K950 VanDerWaalsContact C-N 3.31Å; E948-K950 HydrophobicContact CB-CD 4.41Å; E948-K950 HydrophobicContact CB-CG 4.06Å; E948-K950 WeakPolarHBondContact OE2-CE 3.44Å; E948-K950 IonicContact OE2-NZ 3.13Å; E948-K950 PolarHBondContact OE2-NZ 3.1Å; K950-K952 PolarHBondContact O-N 3.14Å; K950-E953 HydrophobicContact CB-CB 4.1Å; K950-E953 HydrophobicContact CB-CG 4.37Å; K950-E953 WeakPolarHBondContact CD-OE2 3.42Å; K950-E953 IonicContact NZ-OE2 2.84Å; K950-E953 PolarHBondContact O-N 2.94Å; K950-A954 PolarHBondContact O-N 3.38Å
951	V	91.1	Very high	90.5	Very high	29 Å²	29	62.7 Å²	62.7	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-53.4	-52.3	-173.4	-179.1	0	0	0	0	113.2	A890 V893 G949 E953 A954 Q955	A890-V951 HydrophobicContact CB-CG2 3.9Å; A890-V951 VanDerWaalsContact N-CG2 3.34Å; V893-V951 HydrophobicContact CG2-CG1 4.05Å; G949-V951 PolarHBondContact O-N 3.32Å; G949-V951 VanDerWaalsContact O-N 3.14Å; V951-E953 VanDerWaalsContact C-N 3.31Å; V951-E953 PolarHBondContact O-N 3.32Å; V951-A954 PolarHBondContact O-N 2.87Å; V951-Q955 WeakPolarHBondContact O-CG 3.48Å; V951-Q955 PolarHBondContact O-N 2.97Å
952	K	90.7	Very high	89.9	Confident	175 Å²	175	62.2 Å²	62.2	76%	0.761	32%	0.318	S	S	*	.	H	α-helix	trans	-64.6	-35.5	-177	-68.2	-170.7	177.3	-174.5	0	113.1	K950 Q955 A956	K950-K952 PolarHBondContact O-N 3.14Å; K952-Q955 PolarHBondContact O-N 3.31Å; K952-A956 PolarHBondContact O-N 3.41Å
953	E	92	Very high	89.4	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-71.8	-40.4	178.3	-65	169.9	-149.1	0	0	110.5	L945 K950 V951 Q955 A956 A957	L945-E953 HydrophobicContact CD1-CB 4.09Å; L945-E953 HydrophobicContact CD2-CB 4.23Å; K950-E953 HydrophobicContact CB-CB 4.1Å; K950-E953 HydrophobicContact CB-CG 4.37Å; K950-E953 WeakPolarHBondContact CD-OE2 3.42Å; K950-E953 IonicContact NZ-OE2 2.84Å; K950-E953 PolarHBondContact O-N 2.94Å; V951-E953 VanDerWaalsContact C-N 3.31Å; V951-E953 PolarHBondContact O-N 3.32Å; E953-Q955 VanDerWaalsContact C-N 3.34Å; E953-Q955 PolarHBondContact O-N 3.13Å; E953-A956 PolarHBondContact O-N 3.12Å; E953-A957 WeakPolarHBondContact O-CB 3.39Å; E953-A957 PolarHBondContact O-N 2.97Å
954	A	90.6	Very high	88.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-40	173.2	0	0	0	0	0	112.1	V893 A942 L945 A946 K950 V951 A957 A958	V893-A954 HydrophobicContact CG1-CB 3.95Å; A942-A954 WeakPolarHBondContact O-CB 3.46Å; L945-A954 HydrophobicContact CB-CB 3.92Å; A946-A954 HydrophobicContact CB-CB 4.09Å; K950-A954 PolarHBondContact O-N 3.38Å; V951-A954 PolarHBondContact O-N 2.87Å; A954-A957 PolarHBondContact O-N 3.1Å; A954-A958 WeakPolarHBondContact O-CB 3.36Å; A954-A958 PolarHBondContact O-N 3.31Å
955	Q	91.4	Very high	88.1	Confident	45 Å²	45	62.4 Å²	62.4	21%	0.21	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-46.7	174.4	-75.2	173.5	-35	0	0	112.1	V884 A887 V951 K952 E953 A957 A958 E959	V884-Q955 HydrophobicContact CG1-CG 4.23Å; V884-Q955 WeakPolarHBondContact O-CG 3.3Å; V884-Q955 PolarHBondContact O-NE2 3.49Å; A887-Q955 PolarHBondContact O-NE2 2.63Å; V951-Q955 WeakPolarHBondContact O-CG 3.48Å; V951-Q955 PolarHBondContact O-N 2.97Å; K952-Q955 PolarHBondContact O-N 3.31Å; E953-Q955 VanDerWaalsContact C-N 3.34Å; E953-Q955 PolarHBondContact O-N 3.13Å; Q955-A957 VanDerWaalsContact C-N 3.34Å; Q955-A957 PolarHBondContact O-N 2.88Å; Q955-A958 PolarHBondContact O-N 3.04Å; Q955-E959 PolarHBondContact O-N 2.65Å; Q955-E959 VanDerWaalsContact O-N 3.15Å
956	A	89.5	Confident	87.3	Confident	55 Å²	55	63.3 Å²	63.3	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-38	177.3	0	0	0	0	0	112.4	K952 E953 E959	K952-A956 PolarHBondContact O-N 3.41Å; E953-A956 PolarHBondContact O-N 3.12Å; A956-E959 WeakPolarHBondContact O-CB 3.14Å; A956-E959 PolarHBondContact O-N 3.48Å
957	A	88.4	Confident	86.5	Confident	25 Å²	25	65.8 Å²	65.8	21%	0.207	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-41	173.9	0	0	0	0	0	111.7	A942 L945 E953 A954 Q955 E959 Q960	A942-A957 HydrophobicContact CB-CB 4.04Å; L945-A957 HydrophobicContact CD1-CB 4Å; E953-A957 WeakPolarHBondContact O-CB 3.39Å; E953-A957 PolarHBondContact O-N 2.97Å; A954-A957 PolarHBondContact O-N 3.1Å; Q955-A957 VanDerWaalsContact C-N 3.34Å; Q955-A957 PolarHBondContact O-N 2.88Å; A957-E959 VanDerWaalsContact C-N 3.26Å; A957-E959 PolarHBondContact O-N 3.04Å; A957-Q960 PolarHBondContact O-N 2.84Å
958	A	87.1	Confident	85.5	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-26.2	178.4	0	0	0	0	0	113.3	L881 V884 L897 A954 Q955 Q960 L961	L881-A958 HydrophobicContact CD1-CB 4.21Å; L881-A958 WeakPolarHBondContact CD1-O 3.42Å; V884-A958 HydrophobicContact CG1-CB 3.62Å; L897-A958 HydrophobicContact CD2-CB 4.41Å; A954-A958 WeakPolarHBondContact O-CB 3.36Å; A954-A958 PolarHBondContact O-N 3.31Å; Q955-A958 PolarHBondContact O-N 3.04Å; A958-Q960 PolarHBondContact O-N 3.16Å; A958-L961 HydrophobicContact CB-CD1 3.96Å; A958-L961 WeakPolarHBondContact O-CB 3.25Å; A958-L961 WeakPolarHBondContact O-CD1 3.43Å; A958-L961 VanDerWaalsContact O-CG 3.28Å; A958-L961 WeakPolarHBondContact O-CG 3.23Å; A958-L961 PolarHBondContact O-N 3.3Å
959	E	84.4	Confident	84.2	Confident	132 Å²	132	61 Å²	61	62%	0.617	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-32	179.2	-160.6	169.7	-172.4	0	0	112.4	Q955 A956 A957 L961 K962	Q955-E959 PolarHBondContact O-N 2.65Å; Q955-E959 VanDerWaalsContact O-N 3.15Å; A956-E959 WeakPolarHBondContact O-CB 3.14Å; A956-E959 PolarHBondContact O-N 3.48Å; A957-E959 VanDerWaalsContact C-N 3.26Å; A957-E959 PolarHBondContact O-N 3.04Å; E959-L961 PolarHBondContact O-N 2.95Å; E959-K962 WeakPolarHBondContact O-CB 3.34Å; E959-K962 PolarHBondContact O-N 2.85Å
960	Q	82.6	Confident	83.1	Confident	121 Å²	121	65.9 Å²	65.9	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-67.3	-23.4	176.6	-61.8	-170.5	-1.7	0	0	113.4	A957 A958 K962 T963 T964	A957-Q960 PolarHBondContact O-N 2.84Å; A958-Q960 PolarHBondContact O-N 3.16Å; Q960-K962 PolarHBondContact O-N 3.36Å; Q960-T963 PolarHBondContact O-N 3.05Å; Q960-T964 PolarHBondContact O-N 2.93Å; Q960-T964 PolarHBondContact O-OG1 3.15Å
961	L	84.5	Confident	82	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-34	178.4	-63.1	168.4	0	0	0	111.6	L881 M900 L935 Q938 I939 A958 E959 T963 T964 R965	L881-L961 HydrophobicContact CD1-CB 4.46Å; L881-L961 HydrophobicContact CD1-CD1 4.35Å; M900-L961 HydrophobicContact CE-CD1 3.58Å; L935-L961 HydrophobicContact CD1-CB 4.11Å; L935-L961 HydrophobicContact CD1-CD2 3.68Å; L935-L961 HydrophobicContact CG-CD2 4.22Å; Q938-L961 HydrophobicContact CB-CD2 3.29Å; Q938-L961 HydrophobicContact CB-CG 4.28Å; Q938-L961 HydrophobicContact CG-CD2 4.37Å; I939-L961 HydrophobicContact CG1-CD1 3.89Å; I939-L961 HydrophobicContact CG1-CD2 3.66Å; I939-L961 HydrophobicContact CG1-CG 4.48Å; A958-L961 HydrophobicContact CB-CD1 3.96Å; A958-L961 WeakPolarHBondContact O-CB 3.25Å; A958-L961 WeakPolarHBondContact O-CD1 3.43Å; A958-L961 VanDerWaalsContact O-CG 3.28Å; A958-L961 WeakPolarHBondContact O-CG 3.23Å; A958-L961 PolarHBondContact O-N 3.3Å; E959-L961 PolarHBondContact O-N 2.95Å; L961-T963 VanDerWaalsContact C-N 3.32Å; L961-T963 PolarHBondContact O-N 2.58Å; L961-T964 PolarHBondContact O-N 3.02Å; L961-R965 WeakPolarHBondContact O-CB 3.44Å; L961-R965 PolarHBondContact O-N 3.34Å
962	K	81	Confident	80.8	Confident	95 Å²	95	66.7 Å²	66.7	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-41.2	-178.7	-164.8	174.1	-177.1	172.8	0	111.6	L881 E959 Q960 N966	L881-K962 HydrophobicContact CD2-CB 4.02Å; L881-K962 HydrophobicContact CD2-CG 4.3Å; E959-K962 WeakPolarHBondContact O-CB 3.34Å; E959-K962 PolarHBondContact O-N 2.85Å; Q960-K962 PolarHBondContact O-N 3.36Å; K962-N966 VanDerWaalsContact O-CB 3.29Å; K962-N966 WeakPolarHBondContact O-CB 3.48Å; K962-N966 PolarHBondContact O-N 3.07Å; K962-N966 PolarHBondContact O-ND2 3.1Å; K962-N966 PolarHBondContact O-OD1 2.96Å
963	T	81.9	Confident	79.4	Confident	103 Å²	103	66.1 Å²	66.1	63%	0.632	33%	0.329	S	S	*	.	H	α-helix	trans	-68.5	-51	-179.8	-54	0	0	0	0	110.8	Q960 L961 R965 N966 A967	Q960-T963 PolarHBondContact O-N 3.05Å; L961-T963 VanDerWaalsContact C-N 3.32Å; L961-T963 PolarHBondContact O-N 2.58Å; T963-R965 PolarHBondContact O-N 3.24Å; T963-N966 PolarHBondContact O-N 2.99Å; T963-A967 WeakPolarHBondContact O-CB 3.34Å; T963-A967 PolarHBondContact O-N 3.14Å
964	T	81.5	Confident	78.7	Confident	18 Å²	18	64.4 Å²	64.4	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-50.7	177.5	-50	0	0	0	0	110.7	I934 L935 Q938 Q960 L961 N966 A967 Y968	I934-T964 HydrophobicContact CB-CG2 4.11Å; I934-T964 HydrophobicContact CG2-CG2 3.72Å; L935-T964 HydrophobicContact CD1-CG2 4.38Å; Q938-T964 PolarHBondContact NE2-OG1 2.87Å; Q938-T964 PolarHBondContact OE1-OG1 2.67Å; Q960-T964 PolarHBondContact O-N 2.93Å; Q960-T964 PolarHBondContact O-OG1 3.15Å; L961-T964 PolarHBondContact O-N 3.02Å; T964-N966 PolarHBondContact O-N 2.87Å; T964-A967 PolarHBondContact O-N 3.17Å; T964-Y968 HydrophobicContact CG2-CD2 3.95Å; T964-Y968 HydrophobicContact CG2-CE2 4.06Å; T964-Y968 WeakPolarHBondContact O-CD2 3.05Å; T964-Y968 PolarHBondContact O-N 2.97Å; T964-Y968 VanDerWaalsContact O-N 3.11Å
965	R	78.7	Confident	78.1	Confident	33 Å²	33	67.7 Å²	67.7	13%	0.125	34%	0.339	C	S	.	.	H	α-helix	trans	-56.3	-49.8	177.9	-177.4	-153.7	66.1	-175.8	0.2	111.3	M874 N878 L935 L961 T963 A967 Y968 H969	M874-R965 HydrophobicContact CE-CG 3.64Å; N878-R965 PolarHBondContact OD1-NH1 3.16Å; L935-R965 HydrophobicContact CD1-CB 4.23Å; L961-R965 WeakPolarHBondContact O-CB 3.44Å; L961-R965 PolarHBondContact O-N 3.34Å; T963-R965 PolarHBondContact O-N 3.24Å; R965-A967 VanDerWaalsContact C-N 3.33Å; R965-A967 PolarHBondContact O-N 3.02Å; R965-Y968 PolarHBondContact O-N 3.27Å; R965-H969 WeakPolarHBondContact O-CA 3.19Å; R965-H969 WeakPolarHBondContact O-CB 3.25Å; R965-H969 PolarHBondContact O-N 3.05Å
966	N	77.4	Confident	77.4	Confident	58 Å²	58	69 Å²	69	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-41.8	-178.3	-75.1	-7.2	0	0	0	111.9	K962 T963 T964 Q970	K962-N966 VanDerWaalsContact O-CB 3.29Å; K962-N966 WeakPolarHBondContact O-CB 3.48Å; K962-N966 PolarHBondContact O-N 3.07Å; K962-N966 PolarHBondContact O-ND2 3.1Å; K962-N966 PolarHBondContact O-OD1 2.96Å; T963-N966 PolarHBondContact O-N 2.99Å; T964-N966 PolarHBondContact O-N 2.87Å; N966-Q970 VanDerWaalsContact O-CB 3.24Å; N966-Q970 WeakPolarHBondContact O-CB 3.25Å; N966-Q970 WeakPolarHBondContact O-CG 3.36Å; N966-Q970 PolarHBondContact O-N 3.41Å
967	A	76.5	Confident	76.7	Confident	56 Å²	56	69.8 Å²	69.8	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-48	179.4	0	0	0	0	0	112	T963 T964 R965 K971	T963-A967 WeakPolarHBondContact O-CB 3.34Å; T963-A967 PolarHBondContact O-N 3.14Å; T964-A967 PolarHBondContact O-N 3.17Å; R965-A967 VanDerWaalsContact C-N 3.33Å; R965-A967 PolarHBondContact O-N 3.02Å; A967-K971 VanDerWaalsContact O-CB 3.29Å; A967-K971 WeakPolarHBondContact O-CB 3.42Å; A967-K971 PolarHBondContact O-N 2.83Å
968	Y	70.6	Confident	75.9	Confident	44 Å²	44	72.6 Å²	72.6	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-81.2	-37.1	-178.2	-72.8	-81.9	0	0	0	113.1	D927 G931 I934 T964 R965 K971 Y972	D927-Y968 VanDerWaalsContact O-CE1 3.29Å; D927-Y968 WeakPolarHBondContact O-CE1 3.37Å; G931-Y968 VanDerWaalsContact CA-CD2 3.49Å; G931-Y968 VanDerWaalsContact CA-CE1 3.47Å; G931-Y968 VanDerWaalsContact CA-CE2 3.43Å; G931-Y968 VanDerWaalsContact CA-CZ 3.41Å; I934-Y968 HydrophobicContact CD1-CE2 4.2Å; T964-Y968 HydrophobicContact CG2-CD2 3.95Å; T964-Y968 HydrophobicContact CG2-CE2 4.06Å; T964-Y968 WeakPolarHBondContact O-CD2 3.05Å; T964-Y968 PolarHBondContact O-N 2.97Å; T964-Y968 VanDerWaalsContact O-N 3.11Å; R965-Y968 PolarHBondContact O-N 3.27Å; Y968-K971 PolarHBondContact O-N 3.03Å; Y968-Y972 HydrophobicContact CD1-CD2 4.41Å; Y968-Y972 HydrophobicContact CD1-CE2 4.02Å; Y968-Y972 VanDerWaalsContact O-CD2 3.31Å; Y968-Y972 WeakPolarHBondContact O-CD2 3.46Å; Y968-Y972 PolarHBondContact O-N 3.41Å; Y968-Y972 VanDerWaalsContact O-N 3.08Å
969	H	66.4	Low	75.2	Confident	55 Å²	55	77.4 Å²	77.4	26%	0.255	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-48.6	176.5	-171.8	-159.9	0	0	0	111.3	M874 R965 K971 Y972 R973	M874-H969 HydrophobicContact CE-CB 3.39Å; M874-H969 WeakPolarHBondContact CE-ND1 3.16Å; R965-H969 WeakPolarHBondContact O-CA 3.19Å; R965-H969 WeakPolarHBondContact O-CB 3.25Å; R965-H969 PolarHBondContact O-N 3.05Å; H969-K971 PolarHBondContact O-N 3.37Å; H969-Y972 PolarHBondContact O-N 2.96Å; H969-R973 WeakPolarHBondContact O-CB 3.38Å; H969-R973 PolarHBondContact O-N 2.78Å
970	Q	66.5	Low	74.5	Confident	152 Å²	152	73.5 Å²	73.5	71%	0.71	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-33	178.9	-75	-177.1	-32.8	0	0	112.4	N966	N966-Q970 VanDerWaalsContact O-CB 3.24Å; N966-Q970 WeakPolarHBondContact O-CB 3.25Å; N966-Q970 WeakPolarHBondContact O-CG 3.36Å; N966-Q970 PolarHBondContact O-N 3.41Å
971	K	69	Low	73.9	Confident	113 Å²	113	69.8 Å²	69.8	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-42.9	178.9	-170.4	174.1	179.6	-174.1	0	111.9	K914 D927 A967 Y968 H969	K914-K971 PolarHBondContact NZ-O 3.48Å; D927-K971 IonicContact OD2-NZ 3.58Å; D927-K971 PolarHBondContact OD2-NZ 2.91Å; A967-K971 VanDerWaalsContact O-CB 3.29Å; A967-K971 WeakPolarHBondContact O-CB 3.42Å; A967-K971 PolarHBondContact O-N 2.83Å; Y968-K971 PolarHBondContact O-N 3.03Å; H969-K971 PolarHBondContact O-N 3.37Å
972	Y	66.1	Low	73	Confident	14 Å²	14	75.3 Å²	75.3	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-110.5	-6.9	-169.5	-63.8	-62.1	0	0	0	116.2	P912 L915 E924 D927 F928 Y968 H969	P912-Y972 WeakPolarHBondContact CB-O 3.25Å; L915-Y972 HydrophobicContact CD1-CD1 3.57Å; L915-Y972 HydrophobicContact CD1-CE1 3.74Å; L915-Y972 HydrophobicContact CD1-CG 4.27Å; L915-Y972 HydrophobicContact CD2-CD1 3.92Å; L915-Y972 HydrophobicContact CD2-CE1 3.94Å; L915-Y972 HydrophobicContact CG-CD1 3.76Å; L915-Y972 HydrophobicContact CG-CE1 4.15Å; E924-Y972 HydrophobicContact CB-CE1 4.47Å; D927-Y972 VanDerWaalsContact CB-OH 3.31Å; D927-Y972 WeakPolarHBondContact CB-OH 3.06Å; D927-Y972 VanDerWaalsContact CG-OH 3.27Å; D927-Y972 WeakPolarHBondContact OD2-CE2 3.29Å; D927-Y972 PolarHBondContact OD2-OH 3.31Å; F928-Y972 HydrophobicContact CB-CD1 4.47Å; F928-Y972 HydrophobicContact CB-CD2 3.83Å; F928-Y972 HydrophobicContact CB-CE2 3.86Å; F928-Y972 HydrophobicContact CB-CG 4.14Å; F928-Y972 AromaticContact CD2-CD2 3.62Å; F928-Y972 HydrophobicContact CD2-CD2 3.62Å; F928-Y972 HydrophobicContact CD2-CE2 4.47Å; F928-Y972 AromaticContact CD2-CG 3.75Å; F928-Y972 HydrophobicContact CD2-CG 3.75Å; F928-Y972 HydrophobicContact CG-CD2 4.22Å; F928-Y972 HydrophobicContact CG-CG 4.39Å; Y968-Y972 HydrophobicContact CD1-CD2 4.41Å; Y968-Y972 HydrophobicContact CD1-CE2 4.02Å; Y968-Y972 VanDerWaalsContact O-CD2 3.31Å; Y968-Y972 WeakPolarHBondContact O-CD2 3.46Å; Y968-Y972 PolarHBondContact O-N 3.41Å; Y968-Y972 VanDerWaalsContact O-N 3.08Å; H969-Y972 PolarHBondContact O-N 2.96Å
973	R	60.6	Low	72.3	Confident	163 Å²	163	73.5 Å²	73.5	62%	0.615	36%	0.358	S	S	*	.			trans	-58.6	0	170	-168.2	179.5	-167.3	-159.7	3.9	111.3	E871 K914 H969	E871-R973 IonicContact OE1-CZ 3.65Å; E871-R973 IonicContact OE1-NH2 2.69Å; E871-R973 PolarHBondContact OE1-NH2 2.73Å; K914-R973 VanDerWaalsContact CD-O 3.26Å; K914-R973 WeakPolarHBondContact CD-O 3.34Å; K914-R973 WeakPolarHBondContact CE-O 3.47Å; K914-R973 PolarHBondContact NZ-O 2.92Å; H969-R973 WeakPolarHBondContact O-CB 3.38Å; H969-R973 PolarHBondContact O-N 2.78Å

Retrieved 973 of 973 residues in 1690.4 ms (Link to these results)

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