A0A087Y0P2_POEFO Loading...

Neurotrypsin

Binds to extracellular matrix proteins. Binds to pathogen-associated molecular patterns (PAMPs) present on the cell walls of Gram-positive and Gram-negative bacteria and fungi, behaving as a pattern recognition receptor (PRR). Induces bacterial and fungal aggregation and subsequent inhibition of PAMP-induced cytokine release. Does not possess intrinsic bactericidal activity. May play a role in the innate defense and homeostasis of certain epithelial surfaces. Plays a role in neuronal plasticity and the proteolytic action may subserve structural reorganizations associated with learning and memory operations.

AlphaFold DB , UniProt , Accession A0A087Y0P2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 817 aa.

						>A0A087Y0P2_POEFO|A0A087Y0P2
MQYPGRGLGDHSYCRNPDRESNPWCFFRQNSGAIGWAYCDCHQGAVRLVGSSSSDSGRVEVYLNGQWGAVCNSHWTDRDATVICRQLGLGDIGTGLQLSQFGSGSGLFHYERLGCRGDEDALSKCRSRTFVTGDCSHGNEAAVVCAPPEGSGPPLRLVGSEEDFEGRVEVFHAGRWGSVCDDQWDDRDAEVVCRQLGYGGVAKAWSWAHFGQGSGPILLDAMKCTGNELFLDQCPHSDWEQHNCDHMEDAGVSCSPYTDGVVRLVGGDTPWEGRVEVFHNGDWGTVCDDHWSQQHAEVVCRQLGYRGHAEVVVDGMFGEGVGLILLDDVHCEGSETSLLDCRHGIWGRTDCSHSEDVGVRCRGRSSQDTNEVPVIAPSTGPLVRLVGGGSRKEGRVEVYLHGDWGSICDSGWNDLNAAVVCRQLGHSGRAVAARGFGQGKGPIHLDQVRCTGKEEFLGECPSLGLNVQGCRRREDAGVKCDVEPRRSAVKTKPQDESCGMRKLVEDEGKTGSQREGSSLRTTWPWQVSVWLHSHEGSGGPLCSGTLVSPCWALTSASCLSRFGSDPSRYVVRVGASEQTLKPEQVVVHRKFKGQSGGHDLAMLRLPSAKGLCVTFEANTNAACLPAANSATGAKTGSCVVMVTTSWTGPDSVIASWVALMSSWQCKKRFGNSFSSHGTLCAGSPPDTSLLHGDGCQGNSGGGLLCQEESGRWVVAGVVAGGYGCSDPSSPALYTRVSRFRSWIDEVIDTHRRLEETRAPAATRNKPTHTDDDISHDVHFDTHQELKHKHTHTHQQPDFKNTHMFHTEDADKNKQMEV
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	39.1	Very low	171 Å²	171	139.1 Å²	139.1	84%	0.842	77%	0.769	S	S	*	*				0	140.2	0	-57.4	175.7	-169.4	0	0	107.6	P4 I34	M1-P4 HydrophobicContact CB-CG 4.3Å; M1-P4 HydrophobicContact SD-CB 4.27Å; M1-I34 HydrophobicContact CE-CD1 3.86Å; M1-I34 HydrophobicContact SD-CD1 4.49Å
2	Q	34.9	Very low	39.3	Very low	180 Å²	180	137.4 Å²	137.4	84%	0.841	78%	0.775	S	S	*	*			trans	-77.7	-28.4	169.8	-80.8	171.1	-34.9	0	0	112.3
3	Y	42.2	Very low	39.9	Very low	188 Å²	188	140.3 Å²	140.3	74%	0.737	77%	0.768	S	S	*	*	S	Bend	trans	-134.8	85.8	178.9	-56.8	-72.8	0	0	0	112.4
4	P	34.8	Very low	40.8	Very low	95 Å²	95	134.7 Å²	134.7	62%	0.617	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	147.4	169.1	-7.8	24	0	0	0	111	M1	M1-P4 HydrophobicContact CB-CG 4.3Å; M1-P4 HydrophobicContact SD-CB 4.27Å
5	G	39.7	Very low	41.4	Very low	84 Å²	84	136.8 Å²	136.8	87%	0.866	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.1	14.6	168.5	0	0	0	0	0	117.2
6	R	39.3	Very low	42.3	Very low	229 Å²	229	131.3 Å²	131.3	86%	0.864	71%	0.705	S	S	*	*			trans	-123.4	32.2	173.9	-67.9	-169.4	175.8	-167.1	-0.8	114.1
7	G	38.8	Very low	42.7	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	70%	0.698	S	S	*	*			trans	-101.8	135.5	171.4	0	0	0	0	0	111
8	L	40.3	Very low	43.5	Very low	151 Å²	151	125.7 Å²	125.7	79%	0.791	68%	0.681	S	S	*	*			trans	-118.9	111.9	179.9	-77.9	169.6	0	0	0	110.8
9	G	49.1	Very low	43.9	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.2	-159.4	154.8	0	0	0	0	0	118.3	H11	G9-H11 PolarHBondContact O-N 2.8Å
10	D	35.1	Very low	44.5	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	46.5	-167.1	-51	-65.9	0	0	0	111.6
11	H	40.6	Very low	44.9	Very low	131 Å²	131	128 Å²	128	61%	0.606	68%	0.677	S	S	*	*			trans	-128.2	113.2	-165.1	-56.5	-11.4	0	0	0	113.2	G9 Y13	G9-H11 PolarHBondContact O-N 2.8Å; H11-Y13 VanDerWaalsContact C-N 3.26Å; H11-Y13 HydrophobicContact CB-CD2 3.75Å; H11-Y13 HydrophobicContact CB-CE2 3.78Å; H11-Y13 PolarHBondContact O-N 3.23Å
12	S	41.7	Very low	45.8	Very low	119 Å²	119	123.4 Å²	123.4	83%	0.832	66%	0.656	S	S	*	*			trans	-80	37.9	-169.3	-51.9	0	0	0	0	115.8
13	Y	47	Very low	47.1	Very low	175 Å²	175	115 Å²	115	69%	0.686	62%	0.617	S	S	*	*			trans	-82.1	127.3	-173.8	-64.2	-66.6	0	0	0	113.9	H11	H11-Y13 VanDerWaalsContact C-N 3.26Å; H11-Y13 HydrophobicContact CB-CD2 3.75Å; H11-Y13 HydrophobicContact CB-CE2 3.78Å; H11-Y13 PolarHBondContact O-N 3.23Å
14	C	52.2	Low	48.2	Very low	62 Å²	62	107.9 Å²	107.9	42%	0.419	59%	0.589	S	S	.	*			trans	-61.4	144.4	175	-64.2	0	0	0	0	112.8	C39	C14-C39 HydrophobicContact CB-CB 3.89Å; C14-C39 WeakPolarHBondContact CB-SG 3.43Å; C14-C39 WeakPolarHBondContact SG-CB 3.4Å; C14-C39 CovalentContact SG-SG 2.03Å; C14-C39 PolarHBondContact SG-SG 2.79Å
15	R	50.3	Low	49.3	Very low	166 Å²	166	104.7 Å²	104.7	63%	0.626	57%	0.569	S	S	*	*	B	Isolated β-bridge	trans	-129.8	165	178.2	-65.1	-174.5	179.6	-92.9	-4.1	110.6	P23 W24	R15-P23 CarbonylContact O-C 3.5Å; R15-P23 VanDerWaalsContact O-CA 3.32Å; R15-P23 WeakPolarHBondContact O-CA 3.44Å; R15-P23 WeakPolarHBondContact O-CB 3.21Å; R15-W24 CarbonylContact C-O 3.52Å; R15-W24 PolarHBondContact N-O 3.32Å; R15-W24 VanDerWaalsContact N-O 3.08Å; R15-W24 PolarHBondContact O-N 3.14Å
16	N	54.7	Low	50.4	Low	48 Å²	48	107.2 Å²	107.2	26%	0.257	56%	0.556	S	S	.	*			trans	-141.9	74.5	170.2	-169	-16.6	0	0	0	107.9	D18 R19 E20 P23	N16-D18 PolarHBondContact OD1-OD1 2.74Å; N16-R19 WeakPolarHBondContact OD1-CA 3.08Å; N16-R19 PolarHBondContact OD1-N 2.87Å; N16-E20 PolarHBondContact ND2-O 3.38Å; N16-E20 PolarHBondContact OD1-N 2.63Å; N16-E20 PolarHBondContact OD1-O 3.23Å; N16-P23 HydrophobicContact CB-CB 4.35Å
17	P	50.1	Low	51.2	Low	90 Å²	90	100.8 Å²	100.8	58%	0.584	53%	0.534	S	S	*	.	S	Bend	trans	-79.4	-19.7	-170.7	33.7	-35.7	0	0	0	113.4	W24	P17-W24 HydrophobicContact CG-CH2 3.88Å; P17-W24 HydrophobicContact CG-CZ2 3.41Å; P17-W24 VanDerWaalsContact CG-CZ2 3.41Å
18	D	56.5	Low	52	Low	73 Å²	73	106.1 Å²	106.1	39%	0.39	53%	0.532	S	S	.	.	S	Bend	trans	-101.3	-15.4	-178.4	40.4	13.4	0	0	0	113.4	N16 E20 W24	N16-D18 PolarHBondContact OD1-OD1 2.74Å; D18-E20 HydrophobicContact CB-CG 4.37Å; D18-W24 VanDerWaalsContact CG-NE1 3.34Å; D18-W24 PolarHBondContact OD1-NE1 3.27Å; D18-W24 PolarHBondContact OD2-NE1 3.41Å
19	R	52.1	Low	52.8	Low	227 Å²	227	103.1 Å²	103.1	86%	0.857	51%	0.514	S	S	*	.			trans	70.6	24.1	-178.2	-49.8	178.6	175.7	-167.9	-3.9	114.1	N16	N16-R19 WeakPolarHBondContact OD1-CA 3.08Å; N16-R19 PolarHBondContact OD1-N 2.87Å
20	E	55.1	Low	53	Low	117 Å²	117	108.6 Å²	108.6	55%	0.547	53%	0.527	S	S	.	.			trans	-72.6	167.2	171.7	-63.9	-160.1	173	0	0	111.6	N16 D18 N22	N16-E20 PolarHBondContact ND2-O 3.38Å; N16-E20 PolarHBondContact OD1-N 2.63Å; N16-E20 PolarHBondContact OD1-O 3.23Å; D18-E20 HydrophobicContact CB-CG 4.37Å; E20-N22 PolarHBondContact O-N 3.46Å
21	S	53.3	Low	54.7	Low	80 Å²	80	105.1 Å²	105.1	56%	0.559	52%	0.516	S	S	*	.	S	Bend	trans	-66.6	-35.4	-173.2	43.3	0	0	0	0	113.8	P23 G65	S21-P23 WeakPolarHBondContact O-CD 3.11Å; S21-G65 VanDerWaalsContact O-O 3.09Å
22	N	54.8	Low	55.6	Low	76 Å²	76	100.6 Å²	100.6	41%	0.406	51%	0.505	S	S	.	.	S	Bend	trans	-99.4	113.1	177.5	-73.9	-0.7	0	0	0	110.8	E20 Y38	E20-N22 PolarHBondContact O-N 3.46Å; N22-Y38 HydrophobicContact CB-CD1 3.48Å; N22-Y38 VanDerWaalsContact CB-CD1 3.48Å; N22-Y38 HydrophobicContact CB-CE1 3.87Å; N22-Y38 HydrophobicContact CB-CG 4.14Å
23	P	61.2	Low	56.2	Low	2 Å²	2	97.1 Å²	97.1	1%	0.013	48%	0.484	C	S	.	.			trans	-56.6	147.8	168.9	-21.5	33.2	0	0	0	111.3	R15 N16 S21 Y38 C39	R15-P23 CarbonylContact O-C 3.5Å; R15-P23 VanDerWaalsContact O-CA 3.32Å; R15-P23 WeakPolarHBondContact O-CA 3.44Å; R15-P23 WeakPolarHBondContact O-CB 3.21Å; N16-P23 HydrophobicContact CB-CB 4.35Å; S21-P23 WeakPolarHBondContact O-CD 3.11Å; P23-Y38 WeakPolarHBondContact O-CA 3.41Å; P23-C39 PolarHBondContact O-N 3.19Å
24	W	64.6	Low	56.8	Low	39 Å²	39	93 Å²	93	15%	0.148	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.3	180	59.6	-95.2	0	0	0	111.9	R15 P17 D18 F26 A37 Y38	R15-W24 CarbonylContact C-O 3.52Å; R15-W24 PolarHBondContact N-O 3.32Å; R15-W24 VanDerWaalsContact N-O 3.08Å; R15-W24 PolarHBondContact O-N 3.14Å; P17-W24 HydrophobicContact CG-CH2 3.88Å; P17-W24 HydrophobicContact CG-CZ2 3.41Å; P17-W24 VanDerWaalsContact CG-CZ2 3.41Å; D18-W24 VanDerWaalsContact CG-NE1 3.34Å; D18-W24 PolarHBondContact OD1-NE1 3.27Å; D18-W24 PolarHBondContact OD2-NE1 3.41Å; W24-F26 HydrophobicContact CH2-CD2 4.12Å; W24-F26 HydrophobicContact CH2-CE1 4.16Å; W24-F26 AromaticContact CH2-CE2 3.52Å; W24-F26 HydrophobicContact CH2-CE2 3.52Å; W24-F26 AromaticContact CH2-CZ 3.53Å; W24-F26 HydrophobicContact CH2-CZ 3.53Å; W24-F26 AromaticContact CZ3-CD1 3.83Å; W24-F26 HydrophobicContact CZ3-CD1 3.83Å; W24-F26 AromaticContact CZ3-CD2 3.63Å; W24-F26 HydrophobicContact CZ3-CD2 3.63Å; W24-F26 AromaticContact CZ3-CE1 3.66Å; W24-F26 HydrophobicContact CZ3-CE1 3.66Å; W24-F26 AromaticContact CZ3-CE2 3.47Å; W24-F26 HydrophobicContact CZ3-CE2 3.47Å; W24-F26 VanDerWaalsContact CZ3-CE2 3.47Å; W24-F26 AromaticContact CZ3-CG 3.8Å; W24-F26 HydrophobicContact CZ3-CG 3.8Å; W24-F26 AromaticContact CZ3-CZ 3.46Å; W24-F26 HydrophobicContact CZ3-CZ 3.46Å; W24-F26 VanDerWaalsContact CZ3-CZ 3.46Å; W24-A37 CarbonylContact C-O 3.58Å; W24-A37 WeakPolarHBondContact CA-O 3.31Å; W24-A37 WeakPolarHBondContact CB-O 3.49Å; W24-Y38 HydrophobicContact CB-CD1 3.9Å; W24-Y38 HydrophobicContact CB-CE1 4.42Å
25	C	58.7	Low	57	Low	28 Å²	28	90.5 Å²	90.5	19%	0.189	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.8	177.2	64.7	0	0	0	0	111.3	W36 A37	C25-W36 VanDerWaalsContact O-CA 3.26Å; C25-W36 WeakPolarHBondContact O-CA 3.4Å; C25-A37 PolarHBondContact N-O 3.35Å; C25-A37 PolarHBondContact O-N 3Å; C25-A37 VanDerWaalsContact O-N 3.1Å
26	F	62.5	Low	57.7	Low	137 Å²	137	89.9 Å²	89.9	60%	0.601	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.8	159	-75.2	-49.8	0	0	0	108.6	W24 I34 G35 W36	W24-F26 HydrophobicContact CH2-CD2 4.12Å; W24-F26 HydrophobicContact CH2-CE1 4.16Å; W24-F26 AromaticContact CH2-CE2 3.52Å; W24-F26 HydrophobicContact CH2-CE2 3.52Å; W24-F26 AromaticContact CH2-CZ 3.53Å; W24-F26 HydrophobicContact CH2-CZ 3.53Å; W24-F26 AromaticContact CZ3-CD1 3.83Å; W24-F26 HydrophobicContact CZ3-CD1 3.83Å; W24-F26 AromaticContact CZ3-CD2 3.63Å; W24-F26 HydrophobicContact CZ3-CD2 3.63Å; W24-F26 AromaticContact CZ3-CE1 3.66Å; W24-F26 HydrophobicContact CZ3-CE1 3.66Å; W24-F26 AromaticContact CZ3-CE2 3.47Å; W24-F26 HydrophobicContact CZ3-CE2 3.47Å; W24-F26 VanDerWaalsContact CZ3-CE2 3.47Å; W24-F26 AromaticContact CZ3-CG 3.8Å; W24-F26 HydrophobicContact CZ3-CG 3.8Å; W24-F26 AromaticContact CZ3-CZ 3.46Å; W24-F26 HydrophobicContact CZ3-CZ 3.46Å; W24-F26 VanDerWaalsContact CZ3-CZ 3.46Å; F26-I34 HydrophobicContact CB-CG2 3.93Å; F26-I34 HydrophobicContact CD1-CG2 3.73Å; F26-I34 HydrophobicContact CG-CG2 3.96Å; F26-G35 WeakPolarHBondContact CA-O 3.33Å; F26-W36 HydrophobicContact CD1-CB 3.8Å; F26-W36 HydrophobicContact CE1-CB 3.95Å
27	F	55.8	Low	57.7	Low	94 Å²	94	89.4 Å²	89.4	41%	0.412	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.3	172.7	67	-82.4	0	0	0	110.1	Q29 I34 G35 A37	F27-Q29 HydrophobicContact CD2-CG 4.25Å; F27-Q29 HydrophobicContact CE2-CG 3.72Å; F27-Q29 HydrophobicContact CZ-CG 4.48Å; F27-I34 WeakPolarHBondContact O-CA 3.35Å; F27-G35 PolarHBondContact N-O 3.48Å; F27-G35 PolarHBondContact O-N 2.94Å; F27-A37 HydrophobicContact CE1-CB 4.06Å
28	R	56.5	Low	58	Low	186 Å²	186	90.9 Å²	90.9	70%	0.702	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	121.2	176.5	-153.6	176.1	-159.4	166.9	4.4	109.4	G32 A33	R28-G32 PolarHBondContact NE-O 3.13Å; R28-G32 VanDerWaalsContact NE-O 3.17Å; R28-A33 WeakPolarHBondContact CA-O 3.3Å
29	Q	57	Low	58	Low	87 Å²	87	88.5 Å²	88.5	41%	0.407	44%	0.441	S	S	.	.			trans	-74.4	157.9	174.2	-65	178.6	0.9	0	0	110.4	F27 S31 G32 A33	F27-Q29 HydrophobicContact CD2-CG 4.25Å; F27-Q29 HydrophobicContact CE2-CG 3.72Å; F27-Q29 HydrophobicContact CZ-CG 4.48Å; Q29-S31 WeakPolarHBondContact CB-OG 3.36Å; Q29-S31 PolarHBondContact O-N 3.02Å; Q29-S31 PolarHBondContact OE1-OG 2.76Å; Q29-G32 WeakPolarHBondContact O-CA 3.47Å; Q29-G32 PolarHBondContact O-N 2.95Å; Q29-A33 PolarHBondContact N-O 3.19Å
30	N	53.6	Low	57.9	Low	181 Å²	181	84.1 Å²	84.1	97%	0.968	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17	176.3	-63	1.5	0	0	0	113.3	G32	N30-G32 PolarHBondContact O-N 3.21Å
31	S	70.8	Confident	58	Low	89 Å²	89	79.7 Å²	79.7	62%	0.622	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.1	170.2	57.5	0	0	0	0	114.2	Q29 A33	Q29-S31 WeakPolarHBondContact CB-OG 3.36Å; Q29-S31 PolarHBondContact O-N 3.02Å; Q29-S31 PolarHBondContact OE1-OG 2.76Å; S31-A33 PolarHBondContact O-N 3.42Å; S31-A33 WeakPolarHBondContact OG-CB 3.33Å
32	G	58.8	Low	58.5	Low	37 Å²	37	82.2 Å²	82.2	38%	0.381	42%	0.419	S	S	.	.	S	Bend	trans	79.6	-12.3	-172	0	0	0	0	0	114.5	R28 Q29 N30	R28-G32 PolarHBondContact NE-O 3.13Å; R28-G32 VanDerWaalsContact NE-O 3.17Å; Q29-G32 WeakPolarHBondContact O-CA 3.47Å; Q29-G32 PolarHBondContact O-N 2.95Å; N30-G32 PolarHBondContact O-N 3.21Å
33	A	54.7	Low	59.2	Low	46 Å²	46	84.2 Å²	84.2	38%	0.38	43%	0.426	S	S	.	.			trans	-67	154	176.5	0	0	0	0	0	112	R28 Q29 S31	R28-A33 WeakPolarHBondContact CA-O 3.3Å; Q29-A33 PolarHBondContact N-O 3.19Å; S31-A33 PolarHBondContact O-N 3.42Å; S31-A33 WeakPolarHBondContact OG-CB 3.33Å
34	I	59.4	Low	59.7	Low	89 Å²	89	84.5 Å²	84.5	46%	0.456	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.6	175	-60.2	174.1	0	0	0	107.9	M1 F26 F27	M1-I34 HydrophobicContact CE-CD1 3.86Å; M1-I34 HydrophobicContact SD-CD1 4.49Å; F26-I34 HydrophobicContact CB-CG2 3.93Å; F26-I34 HydrophobicContact CD1-CG2 3.73Å; F26-I34 HydrophobicContact CG-CG2 3.96Å; F27-I34 WeakPolarHBondContact O-CA 3.35Å
35	G	57.3	Low	60.3	Low	9 Å²	9	84.1 Å²	84.1	9%	0.093	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	166.5	168.4	0	0	0	0	0	111.1	F26 F27	F26-G35 WeakPolarHBondContact CA-O 3.33Å; F27-G35 PolarHBondContact N-O 3.48Å; F27-G35 PolarHBondContact O-N 2.94Å
36	W	64.2	Low	61.5	Low	152 Å²	152	83.6 Å²	83.6	58%	0.576	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	152	170.3	64.6	-90.2	0	0	0	110.2	C25 F26 Y38	C25-W36 VanDerWaalsContact O-CA 3.26Å; C25-W36 WeakPolarHBondContact O-CA 3.4Å; F26-W36 HydrophobicContact CD1-CB 3.8Å; F26-W36 HydrophobicContact CE1-CB 3.95Å; W36-Y38 HydrophobicContact CH2-CE2 4.15Å; W36-Y38 HydrophobicContact CZ3-CD2 4.06Å; W36-Y38 HydrophobicContact CZ3-CE1 4.39Å; W36-Y38 AromaticContact CZ3-CE2 3.64Å; W36-Y38 HydrophobicContact CZ3-CE2 3.64Å; W36-Y38 AromaticContact CZ3-CZ 3.81Å
37	A	54.3	Low	62.3	Low	38 Å²	38	80.7 Å²	80.7	31%	0.314	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.2	175.3	0	0	0	0	0	110.3	W24 C25 F27	W24-A37 CarbonylContact C-O 3.58Å; W24-A37 WeakPolarHBondContact CA-O 3.31Å; W24-A37 WeakPolarHBondContact CB-O 3.49Å; C25-A37 PolarHBondContact N-O 3.35Å; C25-A37 PolarHBondContact O-N 3Å; C25-A37 VanDerWaalsContact O-N 3.1Å; F27-A37 HydrophobicContact CE1-CB 4.06Å
38	Y	56.7	Low	63.6	Low	122 Å²	122	78 Å²	78	48%	0.478	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	147.4	165.9	-65	-64.7	0	0	0	110.3	N22 P23 W24 W36	N22-Y38 HydrophobicContact CB-CD1 3.48Å; N22-Y38 VanDerWaalsContact CB-CD1 3.48Å; N22-Y38 HydrophobicContact CB-CE1 3.87Å; N22-Y38 HydrophobicContact CB-CG 4.14Å; P23-Y38 WeakPolarHBondContact O-CA 3.41Å; W24-Y38 HydrophobicContact CB-CD1 3.9Å; W24-Y38 HydrophobicContact CB-CE1 4.42Å; W36-Y38 HydrophobicContact CH2-CE2 4.15Å; W36-Y38 HydrophobicContact CZ3-CD2 4.06Å; W36-Y38 HydrophobicContact CZ3-CE1 4.39Å; W36-Y38 AromaticContact CZ3-CE2 3.64Å; W36-Y38 HydrophobicContact CZ3-CE2 3.64Å; W36-Y38 AromaticContact CZ3-CZ 3.81Å
39	C	55.9	Low	64.6	Low	23 Å²	23	71 Å²	71	16%	0.155	38%	0.383	C	S	.	.			trans	-90.9	136.1	175.1	-71	0	0	0	0	111.3	C14 P23 C41	C14-C39 HydrophobicContact CB-CB 3.89Å; C14-C39 WeakPolarHBondContact CB-SG 3.43Å; C14-C39 WeakPolarHBondContact SG-CB 3.4Å; C14-C39 CovalentContact SG-SG 2.03Å; C14-C39 PolarHBondContact SG-SG 2.79Å; P23-C39 PolarHBondContact O-N 3.19Å; C39-C41 PolarHBondContact O-N 2.84Å
40	D	51.2	Low	65.3	Low	134 Å²	134	69.2 Å²	69.2	72%	0.717	39%	0.388	S	S	*	.			trans	-79.2	111.5	165.1	-171	-10.3	0	0	0	108.4	H42	D40-H42 IonicContact OD1-CE1 2.71Å; D40-H42 PolarHBondContact OD1-CE1 3.1Å; D40-H42 IonicContact OD1-ND1 3.23Å; D40-H42 PolarHBondContact OD1-ND1 3.4Å; D40-H42 VanDerWaalsContact OD1-ND1 3.1Å; D40-H42 IonicContact OD2-CE1 3.55Å; D40-H42 IonicContact OD2-ND1 3.1Å
41	C	55.8	Low	66.1	Low	25 Å²	25	62.5 Å²	62.5	17%	0.169	36%	0.355	C	S	.	.			trans	-113.5	113.3	174.5	-67	0	0	0	0	108	C39 Y62	C39-C41 PolarHBondContact O-N 2.84Å; C41-Y62 HydrophobicContact CB-CD1 3.51Å; C41-Y62 HydrophobicContact CB-CD2 4.3Å; C41-Y62 HydrophobicContact CB-CE1 3.44Å; C41-Y62 VanDerWaalsContact CB-CE1 3.44Å; C41-Y62 HydrophobicContact CB-CE2 4.23Å; C41-Y62 HydrophobicContact CB-CG 3.92Å; C41-Y62 WeakPolarHBondContact O-CD1 3.25Å; C41-Y62 WeakPolarHBondContact O-CE1 3.39Å
42	H	64.9	Low	65.9	Low	133 Å²	133	64.7 Å²	64.7	62%	0.616	37%	0.37	S	S	*	.			trans	-72	149.8	177.4	-54.2	-22	0	0	0	111	D40 G44 A45	D40-H42 IonicContact OD1-CE1 2.71Å; D40-H42 PolarHBondContact OD1-CE1 3.1Å; D40-H42 IonicContact OD1-ND1 3.23Å; D40-H42 PolarHBondContact OD1-ND1 3.4Å; D40-H42 VanDerWaalsContact OD1-ND1 3.1Å; D40-H42 IonicContact OD2-CE1 3.55Å; D40-H42 IonicContact OD2-ND1 3.1Å; H42-G44 PolarHBondContact O-N 3.16Å; H42-A45 WeakPolarHBondContact O-CB 3.35Å; H42-A45 PolarHBondContact O-N 3.15Å
43	Q	69.6	Low	66.2	Low	117 Å²	117	65.3 Å²	65.3	55%	0.547	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	130	175.9	-68.3	-93.8	28.5	0	0	110	L63 N64	Q43-L63 HydrophobicContact CB-CD2 4.23Å; Q43-L63 VanDerWaalsContact OE1-CA 3.23Å; Q43-N64 PolarHBondContact NE2-OD1 3.24Å
44	G	71.5	Confident	67.1	Low	8 Å²	8	67.9 Å²	67.9	8%	0.082	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	6.2	-178.3	0	0	0	0	0	115.2	H42 Y62 Q86	H42-G44 PolarHBondContact O-N 3.16Å; G44-Y62 PolarHBondContact N-O 3.41Å; G44-Q86 PolarHBondContact O-NE2 3.38Å; G44-Q86 VanDerWaalsContact O-NE2 3.1Å
45	A	77.6	Confident	67.8	Low	32 Å²	32	66.7 Å²	66.7	26%	0.264	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.6	170.9	0	0	0	0	0	111.1	H42 V61 Y62 W67	H42-A45 WeakPolarHBondContact O-CB 3.35Å; H42-A45 PolarHBondContact O-N 3.15Å; A45-V61 CarbonylContact O-C 3.59Å; A45-V61 WeakPolarHBondContact O-CA 3.47Å; A45-Y62 PolarHBondContact O-N 2.79Å; A45-W67 HydrophobicContact CB-CH2 4.36Å; A45-W67 WeakPolarHBondContact O-CZ3 3.04Å
46	V	82.4	Confident	69	Low	17 Å²	17	66.8 Å²	66.8	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.6	-176.4	-174.7	0	0	0	0	110.2	V59 E60 V61 I83 L87 L122	V46-V59 HydrophobicContact CG1-CG1 4.28Å; V46-E60 CarbonylContact C-O 3.44Å; V46-E60 WeakPolarHBondContact CA-O 3.47Å; V46-V61 HydrophobicContact CG2-CG1 4.35Å; V46-V61 HydrophobicContact CG2-CG2 4.29Å; V46-I83 HydrophobicContact CG1-CD1 4.22Å; V46-I83 HydrophobicContact CG1-CG1 4.46Å; V46-I83 HydrophobicContact CG1-CG2 3.93Å; V46-L87 HydrophobicContact CB-CD2 4.18Å; V46-L87 HydrophobicContact CG1-CD2 4.43Å; V46-L87 WeakPolarHBondContact O-CD2 3.31Å; V46-L122 HydrophobicContact CG2-CD1 3.79Å; V46-L122 HydrophobicContact CG2-CG 4.35Å
47	R	79.8	Confident	69.7	Low	76 Å²	76	59.6 Å²	59.6	29%	0.287	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154.3	168.3	69.7	-176.5	-174.5	-166	1.4	112	V49 E60 W67	R47-V49 HydrophobicContact CG-CG2 3.7Å; R47-E60 HydrophobicContact CG-CB 3.98Å; R47-E60 IonicContact CZ-OE2 2.71Å; R47-E60 PolarHBondContact N-O 3.31Å; R47-E60 IonicContact NE-OE2 3.72Å; R47-E60 PolarHBondContact NE-OE2 3.4Å; R47-E60 IonicContact NH2-OE2 2.36Å; R47-E60 PolarHBondContact NH2-OE2 2.89Å; R47-E60 PolarHBondContact O-N 2.74Å; R47-W67 HydrophobicContact CB-CH2 4.13Å; R47-W67 HydrophobicContact CB-CZ3 3.96Å; R47-W67 HydrophobicContact CG-CD2 4.49Å; R47-W67 HydrophobicContact CG-CE3 3.76Å; R47-W67 HydrophobicContact CG-CH2 3.98Å; R47-W67 HydrophobicContact CG-CZ3 3.47Å; R47-W67 VanDerWaalsContact CG-CZ3 3.47Å; R47-W67 VanDerWaalsContact NH1-CE2 3.33Å
48	L	82.9	Confident	71.1	Confident	37 Å²	37	58.6 Å²	58.6	19%	0.194	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.9	166.9	-53.2	-173.1	0	0	0	109.8	R58 V59 I83 L87 L89 V143	L48-R58 CarbonylContact C-O 3.53Å; L48-R58 WeakPolarHBondContact CA-O 3.48Å; L48-V59 HydrophobicContact CD2-CG2 4.39Å; L48-I83 HydrophobicContact CD2-CG2 4.2Å; L48-L87 HydrophobicContact CD1-CD1 4.06Å; L48-L87 HydrophobicContact CD2-CD1 3.79Å; L48-L87 HydrophobicContact CG-CD1 3.6Å; L48-L89 HydrophobicContact CD1-CD1 3.69Å; L48-L89 HydrophobicContact CG-CD1 4.49Å; L48-V143 HydrophobicContact CD1-CG1 4.08Å; L48-V143 HydrophobicContact CD2-CG1 3.33Å; L48-V143 HydrophobicContact CG-CG1 4.37Å
49	V	79.1	Confident	72.5	Confident	40 Å²	40	52.8 Å²	52.8	24%	0.242	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.7	-176.2	-168	0	0	0	0	111.4	R47 R58 E60 F101	R47-V49 HydrophobicContact CG-CG2 3.7Å; V49-R58 VanDerWaalsContact CG1-NH2 3.28Å; V49-R58 PolarHBondContact N-O 3.13Å; V49-R58 PolarHBondContact O-N 3.02Å; V49-E60 HydrophobicContact CG2-CB 4.43Å; V49-E60 HydrophobicContact CG2-CG 4.18Å; V49-F101 VanDerWaalsContact O-CB 3.26Å; V49-F101 WeakPolarHBondContact O-CB 3.28Å
50	G	70.3	Confident	73.8	Confident	49 Å²	49	52 Å²	52	51%	0.505	31%	0.31	S	S	.	.	S	Bend	trans	92.5	-0.9	165	0	0	0	0	0	116.4
51	S	70.8	Confident	75.3	Confident	40 Å²	40	45.7 Å²	45.7	28%	0.28	28%	0.277	S	S	.	.			trans	-83.5	166	165	-164.8	0	0	0	0	111.9	S53 S56	S51-S53 WeakPolarHBondContact CB-O 3.27Å; S51-S53 PolarHBondContact OG-N 2.84Å; S51-S53 PolarHBondContact OG-OG 2.93Å; S51-S56 WeakPolarHBondContact CB-O 3.25Å; S51-S56 WeakPolarHBondContact CB-OG 3.28Å; S51-S56 PolarHBondContact OG-OG 2.87Å
52	S	66.2	Low	76.3	Confident	134 Å²	134	45.4 Å²	45.4	94%	0.937	27%	0.272	S	S	*	.	S	Bend	trans	-92	-12.9	165.3	52.4	0	0	0	0	113.4
53	S	66	Low	76.7	Confident	50 Å²	50	40.6 Å²	40.6	35%	0.35	25%	0.251	S	S	.	.	S	Bend	trans	-104.7	157.9	172.3	62	0	0	0	0	110.8	S51 D55 S56	S51-S53 WeakPolarHBondContact CB-O 3.27Å; S51-S53 PolarHBondContact OG-N 2.84Å; S51-S53 PolarHBondContact OG-OG 2.93Å; S53-D55 WeakPolarHBondContact CB-OD1 3.15Å; S53-D55 PolarHBondContact OG-OD1 2.87Å; S53-S56 PolarHBondContact OG-OG 2.91Å
54	S	73.5	Confident	76.7	Confident	100 Å²	100	41.2 Å²	41.2	70%	0.699	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-13.4	-178.8	48.6	0	0	0	0	114	L89	S54-L89 WeakPolarHBondContact O-CD1 3.45Å
55	D	74.3	Confident	76.5	Confident	64 Å²	64	42 Å²	42	34%	0.342	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.5	-179.2	54.4	21.3	0	0	0	113.5	S53 V144 C145	S53-D55 WeakPolarHBondContact CB-OD1 3.15Å; S53-D55 PolarHBondContact OG-OD1 2.87Å; D55-V144 CarbonylContact O-C 3.51Å; D55-V144 WeakPolarHBondContact O-CA 3.24Å; D55-C145 WeakPolarHBondContact O-CB 3.29Å; D55-C145 PolarHBondContact O-N 2.67Å
56	S	81	Confident	76.1	Confident	12 Å²	12	45.7 Å²	45.7	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158	-176.7	61.3	0	0	0	0	113.4	S51 S53 V143	S51-S56 WeakPolarHBondContact CB-O 3.25Å; S51-S56 WeakPolarHBondContact CB-OG 3.28Å; S51-S56 PolarHBondContact OG-OG 2.87Å; S53-S56 PolarHBondContact OG-OG 2.91Å; S56-V143 WeakPolarHBondContact CA-O 3.49Å; S56-V143 WeakPolarHBondContact CB-O 3.47Å
57	G	79.4	Confident	75.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	176.3	172.7	0	0	0	0	0	114.1	F101 A142 V143	G57-F101 VanDerWaalsContact CA-CD2 3.5Å; G57-A142 CarbonylContact O-C 3.59Å; G57-A142 VanDerWaalsContact O-CA 3.22Å; G57-A142 WeakPolarHBondContact O-CA 3.41Å; G57-A142 VanDerWaalsContact O-CB 3.29Å; G57-A142 WeakPolarHBondContact O-CB 3.35Å; G57-V143 PolarHBondContact N-O 2.65Å; G57-V143 VanDerWaalsContact N-O 3.08Å; G57-V143 PolarHBondContact O-N 3.03Å
58	R	83.9	Confident	75.9	Confident	17 Å²	17	42.8 Å²	42.8	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.5	166.3	176.4	-178.3	62.8	-95.3	-1.3	109.2	L48 V49 E60 F101 G102 E140 A141	L48-R58 CarbonylContact C-O 3.53Å; L48-R58 WeakPolarHBondContact CA-O 3.48Å; V49-R58 VanDerWaalsContact CG1-NH2 3.28Å; V49-R58 PolarHBondContact N-O 3.13Å; V49-R58 PolarHBondContact O-N 3.02Å; R58-E60 IonicContact CZ-OE1 3.36Å; R58-E60 VanDerWaalsContact CZ-OE1 3.23Å; R58-E60 IonicContact NE-OE1 3.98Å; R58-E60 PolarHBondContact NE-OE1 3.44Å; R58-E60 IonicContact NH2-OE1 3.35Å; R58-E60 PolarHBondContact NH2-OE1 3.49Å; R58-F101 HydrophobicContact CB-CB 4.18Å; R58-F101 PolarHBondContact NH1-O 3.28Å; R58-G102 PolarHBondContact NH1-O 2.92Å; R58-E140 HydrophobicContact CG-CB 3.76Å; R58-A141 WeakPolarHBondContact CA-O 3.47Å
59	V	85.4	Confident	75.8	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.9	173.6	175	0	0	0	0	109.9	V46 L48 V61 V70 W75 I83 A141 V143	V46-V59 HydrophobicContact CG1-CG1 4.28Å; L48-V59 HydrophobicContact CD2-CG2 4.39Å; V59-V61 HydrophobicContact CG1-CG2 4.3Å; V59-V70 HydrophobicContact CB-CB 4.42Å; V59-V70 HydrophobicContact CG1-CB 4.01Å; V59-V70 HydrophobicContact CG1-CG2 3.59Å; V59-W75 HydrophobicContact CG2-CH2 4.27Å; V59-W75 HydrophobicContact CG2-CZ2 4.04Å; V59-I83 HydrophobicContact CB-CD1 4.1Å; V59-I83 HydrophobicContact CG1-CD1 3.38Å; V59-I83 HydrophobicContact CG2-CD1 3.51Å; V59-A141 PolarHBondContact N-O 2.02Å; V59-V143 HydrophobicContact CG2-CG1 3.95Å
60	E	85.3	Confident	76	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138	164.5	-67	177.3	-175	0	0	109.9	V46 R47 V49 R58 W67 G68	V46-E60 CarbonylContact C-O 3.44Å; V46-E60 WeakPolarHBondContact CA-O 3.47Å; R47-E60 HydrophobicContact CG-CB 3.98Å; R47-E60 IonicContact CZ-OE2 2.71Å; R47-E60 PolarHBondContact N-O 3.31Å; R47-E60 IonicContact NE-OE2 3.72Å; R47-E60 PolarHBondContact NE-OE2 3.4Å; R47-E60 IonicContact NH2-OE2 2.36Å; R47-E60 PolarHBondContact NH2-OE2 2.89Å; R47-E60 PolarHBondContact O-N 2.74Å; V49-E60 HydrophobicContact CG2-CB 4.43Å; V49-E60 HydrophobicContact CG2-CG 4.18Å; R58-E60 IonicContact CZ-OE1 3.36Å; R58-E60 VanDerWaalsContact CZ-OE1 3.23Å; R58-E60 IonicContact NE-OE1 3.98Å; R58-E60 PolarHBondContact NE-OE1 3.44Å; R58-E60 IonicContact NH2-OE1 3.35Å; R58-E60 PolarHBondContact NH2-OE1 3.49Å; E60-W67 HydrophobicContact CB-CE3 4.02Å; E60-W67 WeakPolarHBondContact O-CZ3 3.43Å; E60-G68 CarbonylContact C-O 3.55Å; E60-G68 WeakPolarHBondContact CA-O 3.5Å
61	V	82.2	Confident	76.4	Confident	1 Å²	1	37 Å²	37	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145	177.6	-166.7	0	0	0	0	109	A45 V46 V59 L63 W67 G68 V70 H109 Y110 L122	A45-V61 CarbonylContact O-C 3.59Å; A45-V61 WeakPolarHBondContact O-CA 3.47Å; V46-V61 HydrophobicContact CG2-CG1 4.35Å; V46-V61 HydrophobicContact CG2-CG2 4.29Å; V59-V61 HydrophobicContact CG1-CG2 4.3Å; V61-L63 HydrophobicContact CG1-CD1 4.48Å; V61-L63 HydrophobicContact CG1-CG 4.27Å; V61-W67 WeakPolarHBondContact O-CA 3.41Å; V61-G68 PolarHBondContact N-O 2.79Å; V61-G68 PolarHBondContact O-N 2.99Å; V61-V70 HydrophobicContact CG2-CG2 3.85Å; V61-H109 PolarHBondContact O-CD2 2.88Å; V61-Y110 HydrophobicContact CB-CE2 4.46Å; V61-Y110 HydrophobicContact CG1-CE2 4.27Å; V61-Y110 HydrophobicContact CG2-CD2 4.35Å; V61-Y110 HydrophobicContact CG2-CE2 4.31Å; V61-L122 HydrophobicContact CG2-CD1 3.8Å
62	Y	76.7	Confident	76.5	Confident	19 Å²	19	36.1 Å²	36.1	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	108.1	174.9	-170.1	-105.3	0	0	0	110.5	C41 G44 A45 G65 Q66 W67	C41-Y62 HydrophobicContact CB-CD1 3.51Å; C41-Y62 HydrophobicContact CB-CD2 4.3Å; C41-Y62 HydrophobicContact CB-CE1 3.44Å; C41-Y62 VanDerWaalsContact CB-CE1 3.44Å; C41-Y62 HydrophobicContact CB-CE2 4.23Å; C41-Y62 HydrophobicContact CB-CG 3.92Å; C41-Y62 WeakPolarHBondContact O-CD1 3.25Å; C41-Y62 WeakPolarHBondContact O-CE1 3.39Å; G44-Y62 PolarHBondContact N-O 3.41Å; A45-Y62 PolarHBondContact O-N 2.79Å; Y62-G65 VanDerWaalsContact CE2-C 3.48Å; Y62-G65 WeakPolarHBondContact OH-CA 3.44Å; Y62-Q66 WeakPolarHBondContact CA-O 3.24Å; Y62-W67 AromaticContact CD2-CD1 3.63Å; Y62-W67 AromaticContact CD2-CD2 3.9Å; Y62-W67 HydrophobicContact CD2-CD2 3.9Å; Y62-W67 AromaticContact CD2-CE2 3.61Å; Y62-W67 AromaticContact CD2-CG 3.95Å; Y62-W67 HydrophobicContact CD2-CG 3.95Å; Y62-W67 HydrophobicContact CD2-CZ2 4.18Å; Y62-W67 AromaticContact CD2-NE1 3.4Å; Y62-W67 AromaticContact CE2-NE1 3.88Å; Y62-W67 HydrophobicContact CG-CD2 4.43Å; Y62-W67 HydrophobicContact CG-CZ2 4.28Å
63	L	72.6	Confident	76.3	Confident	31 Å²	31	32.5 Å²	32.5	16%	0.162	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.5	173.4	-69.5	172	0	0	0	110.7	Q43 V61 G65 Q66 H109 Y110	Q43-L63 HydrophobicContact CB-CD2 4.23Å; Q43-L63 VanDerWaalsContact OE1-CA 3.23Å; V61-L63 HydrophobicContact CG1-CD1 4.48Å; V61-L63 HydrophobicContact CG1-CG 4.27Å; L63-G65 PolarHBondContact O-N 2.65Å; L63-G65 VanDerWaalsContact O-N 3.12Å; L63-Q66 PolarHBondContact N-O 2.86Å; L63-Q66 PolarHBondContact O-N 3.48Å; L63-H109 HydrophobicContact CD1-CB 4.01Å; L63-H109 PolarHBondContact N-NE2 3.47Å; L63-H109 PolarHBondContact O-CE1 2.87Å; L63-H109 VanDerWaalsContact O-CE1 3.29Å; L63-H109 PolarHBondContact O-NE2 2.97Å; L63-Y110 HydrophobicContact CD1-CE2 3.73Å
64	N	70.6	Confident	76.2	Confident	130 Å²	130	34.3 Å²	34.3	70%	0.695	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.9	177.6	-60.7	-33.4	0	0	0	114.6	Q43	Q43-N64 PolarHBondContact NE2-OD1 3.24Å
65	G	66.3	Low	76.4	Confident	25 Å²	25	29.9 Å²	29.9	26%	0.258	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	9.2	179.8	0	0	0	0	0	114.9	S21 Y62 L63	S21-G65 VanDerWaalsContact O-O 3.09Å; Y62-G65 VanDerWaalsContact CE2-C 3.48Å; Y62-G65 WeakPolarHBondContact OH-CA 3.44Å; L63-G65 PolarHBondContact O-N 2.65Å; L63-G65 VanDerWaalsContact O-N 3.12Å
66	Q	70.2	Confident	76.4	Confident	110 Å²	110	28.3 Å²	28.3	51%	0.514	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.9	-177.5	-65.9	-169.8	-31.3	0	0	113	Y62 L63 L107 H109	Y62-Q66 WeakPolarHBondContact CA-O 3.24Å; L63-Q66 PolarHBondContact N-O 2.86Å; L63-Q66 PolarHBondContact O-N 3.48Å; Q66-L107 HydrophobicContact CB-CD2 3.72Å; Q66-H109 PolarHBondContact O-NE2 2.88Å
67	W	78.2	Confident	76.4	Confident	31 Å²	31	31.9 Å²	31.9	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.8	170.9	-68.9	93.1	0	0	0	110.1	A45 R47 E60 V61 Y62 S105	A45-W67 HydrophobicContact CB-CH2 4.36Å; A45-W67 WeakPolarHBondContact O-CZ3 3.04Å; R47-W67 HydrophobicContact CB-CH2 4.13Å; R47-W67 HydrophobicContact CB-CZ3 3.96Å; R47-W67 HydrophobicContact CG-CD2 4.49Å; R47-W67 HydrophobicContact CG-CE3 3.76Å; R47-W67 HydrophobicContact CG-CH2 3.98Å; R47-W67 HydrophobicContact CG-CZ3 3.47Å; R47-W67 VanDerWaalsContact CG-CZ3 3.47Å; R47-W67 VanDerWaalsContact NH1-CE2 3.33Å; E60-W67 HydrophobicContact CB-CE3 4.02Å; E60-W67 WeakPolarHBondContact O-CZ3 3.43Å; V61-W67 WeakPolarHBondContact O-CA 3.41Å; Y62-W67 AromaticContact CD2-CD1 3.63Å; Y62-W67 AromaticContact CD2-CD2 3.9Å; Y62-W67 HydrophobicContact CD2-CD2 3.9Å; Y62-W67 AromaticContact CD2-CE2 3.61Å; Y62-W67 AromaticContact CD2-CG 3.95Å; Y62-W67 HydrophobicContact CD2-CG 3.95Å; Y62-W67 HydrophobicContact CD2-CZ2 4.18Å; Y62-W67 AromaticContact CD2-NE1 3.4Å; Y62-W67 AromaticContact CE2-NE1 3.88Å; Y62-W67 HydrophobicContact CG-CD2 4.43Å; Y62-W67 HydrophobicContact CG-CZ2 4.28Å; W67-S105 PolarHBondContact O-OG 3.45Å
68	G	79.3	Confident	76.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.7	176.4	0	0	0	0	0	111.1	E60 V61 L107 H109	E60-G68 CarbonylContact C-O 3.55Å; E60-G68 WeakPolarHBondContact CA-O 3.5Å; V61-G68 PolarHBondContact N-O 2.79Å; V61-G68 PolarHBondContact O-N 2.99Å; G68-L107 CarbonylContact C-O 3.49Å; G68-L107 WeakPolarHBondContact CA-O 3.36Å; G68-H109 VanDerWaalsContact CA-CD2 3.41Å; G68-H109 WeakPolarHBondContact CA-CD2 3.46Å; G68-H109 PolarHBondContact N-CD2 2.84Å; G68-H109 VanDerWaalsContact N-CD2 3.34Å; G68-H109 PolarHBondContact N-NE2 3.01Å
69	A	81.3	Confident	76.5	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	162	-179.7	0	0	0	0	0	112.7	L107 F108 H109 E140	A69-L107 PolarHBondContact N-O 3.48Å; A69-F108 HydrophobicContact CB-CD1 3.81Å; A69-F108 HydrophobicContact CB-CE1 3.84Å; A69-F108 HydrophobicContact CB-CG 4.46Å; A69-F108 HydrophobicContact CB-CZ 4.5Å; A69-F108 WeakPolarHBondContact O-CA 3.45Å; A69-H109 PolarHBondContact O-N 2.73Å; A69-E140 HydrophobicContact CB-CB 3.93Å; A69-E140 HydrophobicContact CB-CG 3.51Å
70	V	82.1	Confident	76.6	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.7	158.2	170.5	0	0	0	0	107.9	V59 V61 W75 Y110 L113 E140 A141	V59-V70 HydrophobicContact CB-CB 4.42Å; V59-V70 HydrophobicContact CG1-CB 4.01Å; V59-V70 HydrophobicContact CG1-CG2 3.59Å; V61-V70 HydrophobicContact CG2-CG2 3.85Å; V70-W75 HydrophobicContact CG1-CE3 3.75Å; V70-W75 HydrophobicContact CG1-CZ3 3.88Å; V70-Y110 HydrophobicContact CG2-CD2 4.14Å; V70-L113 HydrophobicContact CG1-CD1 3.64Å; V70-L113 HydrophobicContact CG1-CG 4.49Å; V70-L113 HydrophobicContact CG2-CD1 3.98Å; V70-E140 WeakPolarHBondContact O-CA 2.89Å; V70-A141 HydrophobicContact CB-CB 4.02Å; V70-A141 HydrophobicContact CG1-CB 3.8Å; V70-A141 WeakPolarHBondContact O-CB 3.49Å; V70-A141 PolarHBondContact O-N 3.18Å
71	C	78.9	Confident	76.6	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.027	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-84.8	144.1	177.4	-163.9	0	0	0	0	112	F108 Y110 C135 N139	C71-F108 HydrophobicContact CB-CD1 3.86Å; C71-F108 HydrophobicContact CB-CE1 4.06Å; C71-Y110 WeakPolarHBondContact CB-O 3.19Å; C71-Y110 PolarHBondContact N-O 3.45Å; C71-C135 HydrophobicContact CB-CB 3.88Å; C71-C135 WeakPolarHBondContact CB-SG 3.5Å; C71-C135 WeakPolarHBondContact SG-CB 3.24Å; C71-C135 CovalentContact SG-SG 2.04Å; C71-C135 PolarHBondContact SG-SG 2.71Å; C71-N139 CarbonylContact C-O 3.53Å; C71-N139 WeakPolarHBondContact CA-O 3.45Å
72	N	73.3	Confident	76.9	Confident	21 Å²	21	32.4 Å²	32.4	11%	0.112	17%	0.173	C	C	.	.	S	Bend	trans	-80.2	-10.8	-175.3	67.1	-11	0	0	0	114.9	H74 W75 Q97 N139	N72-H74 PolarHBondContact O-N 2.84Å; N72-H74 VanDerWaalsContact O-N 3.09Å; N72-W75 WeakPolarHBondContact O-CB 3.31Å; N72-W75 PolarHBondContact O-N 2.97Å; N72-W75 VanDerWaalsContact O-N 3.13Å; N72-Q97 HydrophobicContact CB-CB 4.45Å; N72-Q97 WeakPolarHBondContact CB-O 3.33Å; N72-Q97 PolarHBondContact ND2-O 3.17Å; N72-N139 WeakPolarHBondContact CB-O 3.28Å; N72-N139 PolarHBondContact N-O 2.71Å; N72-N139 VanDerWaalsContact OD1-CB 3.28Å; N72-N139 WeakPolarHBondContact OD1-CB 3.36Å; N72-N139 PolarHBondContact OD1-O 3.43Å
73	S	61	Low	77.4	Confident	58 Å²	58	31.5 Å²	31.5	41%	0.406	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24	-165.8	53.6	0	0	0	0	114.9	E111	S73-E111 PolarHBondContact OG-O 3.38Å
74	H	65.8	Low	78	Confident	88 Å²	88	30 Å²	30	41%	0.407	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	33.6	174.2	-64.6	-79.5	0	0	0	111.4	N72 T76 R112	N72-H74 PolarHBondContact O-N 2.84Å; N72-H74 VanDerWaalsContact O-N 3.09Å; H74-T76 PolarHBondContact O-N 2.89Å; H74-R112 HydrophobicContact CB-CG 3.93Å; H74-R112 PolarHBondContact CD2-NE 3.04Å; H74-R112 PolarHBondContact CE1-NH2 2.81Å; H74-R112 PolarHBondContact NE2-NE 3Å; H74-R112 PolarHBondContact NE2-NH2 2.7Å
75	W	76.1	Confident	78.7	Confident	6 Å²	6	26.5 Å²	26.5	2%	0.023	14%	0.139	C	C	.	.			trans	-83	116.1	-173.8	-178	-114.1	0	0	0	111.6	V59 V70 N72 D79 A80 I83 G95 Q97 L113 A141 A142 V143	V59-W75 HydrophobicContact CG2-CH2 4.27Å; V59-W75 HydrophobicContact CG2-CZ2 4.04Å; V70-W75 HydrophobicContact CG1-CE3 3.75Å; V70-W75 HydrophobicContact CG1-CZ3 3.88Å; N72-W75 WeakPolarHBondContact O-CB 3.31Å; N72-W75 PolarHBondContact O-N 2.97Å; N72-W75 VanDerWaalsContact O-N 3.13Å; W75-D79 HydrophobicContact CD2-CB 4.42Å; W75-D79 HydrophobicContact CE3-CB 3.64Å; W75-D79 HydrophobicContact CH2-CB 3.66Å; W75-D79 HydrophobicContact CZ2-CB 4.5Å; W75-D79 HydrophobicContact CZ3-CB 3.21Å; W75-A80 HydrophobicContact CH2-CB 4.35Å; W75-A80 HydrophobicContact CZ2-CB 3.67Å; W75-I83 HydrophobicContact CH2-CD1 3.4Å; W75-I83 HydrophobicContact CH2-CG1 4.11Å; W75-I83 HydrophobicContact CZ2-CD1 4.16Å; W75-I83 HydrophobicContact CZ3-CD1 4.22Å; W75-G95 VanDerWaalsContact NE1-CA 3.34Å; W75-Q97 PolarHBondContact O-NE2 2.86Å; W75-L113 HydrophobicContact CE3-CD1 4.41Å; W75-L113 HydrophobicContact CZ3-CD1 3.81Å; W75-A141 HydrophobicContact CB-CB 4.27Å; W75-A141 HydrophobicContact CD2-CB 3.6Å; W75-A141 HydrophobicContact CE3-CB 4.01Å; W75-A141 HydrophobicContact CG-CB 3.69Å; W75-A142 PolarHBondContact NE1-O 3.28Å; W75-V143 HydrophobicContact CZ2-CB 4.43Å
76	T	75.1	Confident	79.6	Confident	31 Å²	31	28.1 Å²	28.1	19%	0.19	14%	0.139	C	C	.	.			trans	-109.7	168	-174.7	71.9	0	0	0	0	113.3	H74 R78 D79 A80	H74-T76 PolarHBondContact O-N 2.89Å; T76-R78 PolarHBondContact O-N 3.13Å; T76-R78 WeakPolarHBondContact OG1-CB 3.48Å; T76-R78 PolarHBondContact OG1-N 3.18Å; T76-D79 WeakPolarHBondContact CB-OD2 3.48Å; T76-D79 PolarHBondContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 2.02Å; T76-D79 VanDerWaalsContact OG1-CG 3.3Å; T76-D79 PolarHBondContact OG1-N 3.08Å; T76-D79 VanDerWaalsContact OG1-N 3.12Å; T76-D79 PolarHBondContact OG1-OD2 2.86Å; T76-A80 WeakPolarHBondContact O-CB 3.42Å; T76-A80 PolarHBondContact O-N 3.49Å; T76-A80 VanDerWaalsContact O-N 3.09Å
77	D	80.2	Confident	80.1	Confident	87 Å²	87	25.4 Å²	25.4	47%	0.465	13%	0.128	S	C	.	.	H	α-helix	trans	-65.9	-23.6	168.3	-77.3	3.3	0	0	0	112.5	T81 G93 T94 G95	D77-T81 WeakPolarHBondContact O-CB 3.39Å; D77-T81 PolarHBondContact O-N 2.66Å; D77-T81 PolarHBondContact O-OG1 2.76Å; D77-G93 VanDerWaalsContact O-O 3.08Å; D77-T94 WeakPolarHBondContact OD1-CA 3.4Å; D77-G95 PolarHBondContact OD1-N 3.49Å
78	R	81.4	Confident	80.3	Confident	26 Å²	26	27.2 Å²	27.2	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-51	173.3	-68.3	172.4	166.8	169.6	-9.8	110.7	T76 A80 T81 V82 C115 L157 E162 D163 E165	T76-R78 PolarHBondContact O-N 3.13Å; T76-R78 WeakPolarHBondContact OG1-CB 3.48Å; T76-R78 PolarHBondContact OG1-N 3.18Å; R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 2.84Å; R78-T81 PolarHBondContact O-N 3.06Å; R78-V82 PolarHBondContact O-N 3.43Å; R78-C115 WeakPolarHBondContact CB-O 3.47Å; R78-L157 PolarHBondContact NE-O 2.97Å; R78-L157 PolarHBondContact NH2-O 2.88Å; R78-E162 VanDerWaalsContact NH1-C 3.27Å; R78-E162 PolarHBondContact NH1-O 3.44Å; R78-E162 PolarHBondContact NH2-O 3.26Å; R78-D163 IonicContact CZ-OD1 2.84Å; R78-D163 IonicContact NE-OD1 3.97Å; R78-D163 IonicContact NH1-OD1 2.84Å; R78-D163 PolarHBondContact NH1-OD1 3.4Å; R78-E165 PolarHBondContact NH2-O 2.92Å
79	D	85.4	Confident	80.2	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-42.4	177.6	-48.3	-71.1	0	0	0	111.5	W75 T76 T81 V82 I83 L113 G114 C115	W75-D79 HydrophobicContact CD2-CB 4.42Å; W75-D79 HydrophobicContact CE3-CB 3.64Å; W75-D79 HydrophobicContact CH2-CB 3.66Å; W75-D79 HydrophobicContact CZ2-CB 4.5Å; W75-D79 HydrophobicContact CZ3-CB 3.21Å; T76-D79 WeakPolarHBondContact CB-OD2 3.48Å; T76-D79 PolarHBondContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 2.02Å; T76-D79 VanDerWaalsContact OG1-CG 3.3Å; T76-D79 PolarHBondContact OG1-N 3.08Å; T76-D79 VanDerWaalsContact OG1-N 3.12Å; T76-D79 PolarHBondContact OG1-OD2 2.86Å; D79-T81 VanDerWaalsContact C-N 3.33Å; D79-T81 PolarHBondContact O-N 2.91Å; D79-V82 PolarHBondContact O-N 3.27Å; D79-I83 PolarHBondContact O-N 3.06Å; D79-I83 VanDerWaalsContact O-N 3.17Å; D79-L113 WeakPolarHBondContact OD1-CB 3.47Å; D79-G114 PolarHBondContact OD1-N 2.96Å; D79-C115 HydrophobicContact CB-CB 4.4Å; D79-C115 WeakPolarHBondContact OD1-CB 3.43Å; D79-C115 PolarHBondContact OD1-N 2.85Å; D79-C115 PolarHBondContact OD1-SG 3.14Å; D79-C115 VanDerWaalsContact OD1-SG 3.41Å
80	A	86.1	Confident	80.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-40.1	176.4	0	0	0	0	0	112.3	W75 T76 R78 I83 C84 G93 V143	W75-A80 HydrophobicContact CH2-CB 4.35Å; W75-A80 HydrophobicContact CZ2-CB 3.67Å; T76-A80 WeakPolarHBondContact O-CB 3.42Å; T76-A80 PolarHBondContact O-N 3.49Å; T76-A80 VanDerWaalsContact O-N 3.09Å; R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 2.84Å; A80-I83 PolarHBondContact O-N 3.01Å; A80-C84 PolarHBondContact O-N 2.9Å; A80-C84 PolarHBondContact O-SG 3.16Å; A80-C84 VanDerWaalsContact O-SG 3.41Å; A80-G93 WeakPolarHBondContact CB-O 3.43Å; A80-V143 HydrophobicContact CB-CB 4.29Å; A80-V143 HydrophobicContact CB-CG2 3.73Å
81	T	85.4	Confident	80	Confident	10 Å²	10	35.3 Å²	35.3	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-36.2	176.5	-69.4	0	0	0	0	112.8	D77 R78 D79 I83 R85 D91 G93	D77-T81 WeakPolarHBondContact O-CB 3.39Å; D77-T81 PolarHBondContact O-N 2.66Å; D77-T81 PolarHBondContact O-OG1 2.76Å; R78-T81 PolarHBondContact O-N 3.06Å; D79-T81 VanDerWaalsContact C-N 3.33Å; D79-T81 PolarHBondContact O-N 2.91Å; T81-I83 VanDerWaalsContact C-N 3.33Å; T81-R85 PolarHBondContact O-N 3.01Å; T81-D91 VanDerWaalsContact CG2-O 3.3Å; T81-D91 WeakPolarHBondContact CG2-O 3.43Å; T81-G93 PolarHBondContact OG1-N 3.05Å; T81-G93 PolarHBondContact OG1-O 2.78Å; T81-G93 VanDerWaalsContact OG1-O 3.11Å
82	V	88.3	Confident	79.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-42.2	170.8	170.9	0	0	0	0	111	R78 D79 R85 Q86 C115 E119 L122	R78-V82 PolarHBondContact O-N 3.43Å; D79-V82 PolarHBondContact O-N 3.27Å; V82-R85 PolarHBondContact O-N 3.19Å; V82-Q86 WeakPolarHBondContact O-CB 3.46Å; V82-Q86 PolarHBondContact O-N 3.42Å; V82-C115 HydrophobicContact CB-CB 4.49Å; V82-C115 HydrophobicContact CG2-CB 3.77Å; V82-E119 HydrophobicContact CG1-CB 4.26Å; V82-E119 WeakPolarHBondContact CG1-O 3.48Å; V82-E119 HydrophobicContact CG2-CB 4.03Å; V82-E119 WeakPolarHBondContact CG2-O 3.22Å; V82-L122 HydrophobicContact CG1-CD2 4.13Å
83	I	87.4	Confident	80.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-47.1	177.7	-68.8	-171.2	0	0	0	112.5	V46 L48 V59 W75 D79 A80 T81 R85 Q86 L87 L122 V143	V46-I83 HydrophobicContact CG1-CD1 4.22Å; V46-I83 HydrophobicContact CG1-CG1 4.46Å; V46-I83 HydrophobicContact CG1-CG2 3.93Å; L48-I83 HydrophobicContact CD2-CG2 4.2Å; V59-I83 HydrophobicContact CB-CD1 4.1Å; V59-I83 HydrophobicContact CG1-CD1 3.38Å; V59-I83 HydrophobicContact CG2-CD1 3.51Å; W75-I83 HydrophobicContact CH2-CD1 3.4Å; W75-I83 HydrophobicContact CH2-CG1 4.11Å; W75-I83 HydrophobicContact CZ2-CD1 4.16Å; W75-I83 HydrophobicContact CZ3-CD1 4.22Å; D79-I83 PolarHBondContact O-N 3.06Å; D79-I83 VanDerWaalsContact O-N 3.17Å; A80-I83 PolarHBondContact O-N 3.01Å; T81-I83 VanDerWaalsContact C-N 3.33Å; I83-R85 PolarHBondContact O-N 3.24Å; I83-Q86 PolarHBondContact O-N 2.71Å; I83-L87 HydrophobicContact CG2-CD1 3.58Å; I83-L87 HydrophobicContact CG2-CG 4.17Å; I83-L87 WeakPolarHBondContact O-CB 3.5Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.04Å; I83-L87 PolarHBondContact O-N 3.01Å; I83-L122 HydrophobicContact CD1-CD1 3.78Å; I83-L122 HydrophobicContact CD1-CD2 4.18Å; I83-L122 HydrophobicContact CD1-CG 4.3Å; I83-L122 HydrophobicContact CG1-CD1 3.86Å; I83-L122 HydrophobicContact CG1-CD2 3.7Å; I83-L122 HydrophobicContact CG1-CG 3.83Å; I83-V143 HydrophobicContact CG2-CG1 4.19Å
84	C	86.3	Confident	81	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-34.4	-178.1	-68.7	0	0	0	0	112.5	A80 G88 L89 G90 G93 V143 C145	A80-C84 PolarHBondContact O-N 2.9Å; A80-C84 PolarHBondContact O-SG 3.16Å; A80-C84 VanDerWaalsContact O-SG 3.41Å; C84-G88 PolarHBondContact O-N 2.9Å; C84-L89 PolarHBondContact O-N 3.39Å; C84-G90 CarbonylContact C-O 3.5Å; C84-G90 WeakPolarHBondContact CB-O 3.43Å; C84-G90 PolarHBondContact O-N 3.21Å; C84-G93 WeakPolarHBondContact SG-CA 3.33Å; C84-V143 WeakPolarHBondContact SG-CG2 3.04Å; C84-C145 WeakPolarHBondContact CA-SG 3.49Å; C84-C145 HydrophobicContact CB-CB 3.64Å; C84-C145 WeakPolarHBondContact CB-SG 3.13Å; C84-C145 WeakPolarHBondContact SG-CA 3.49Å; C84-C145 WeakPolarHBondContact SG-CB 3.38Å; C84-C145 CovalentContact SG-SG 2.03Å; C84-C145 PolarHBondContact SG-SG 2.88Å
85	R	85.1	Confident	81.5	Confident	57 Å²	57	30.7 Å²	30.7	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-72.2	-46.9	172.9	-157.6	-170.8	-35.5	147	16.1	112.4	T81 V82 I83 L87 G88 G90 G117 D118 E119	T81-R85 PolarHBondContact O-N 3.01Å; V82-R85 PolarHBondContact O-N 3.19Å; I83-R85 PolarHBondContact O-N 3.24Å; R85-L87 PolarHBondContact O-N 3.17Å; R85-G88 PolarHBondContact O-N 3.44Å; R85-G90 PolarHBondContact N-O 2.03Å; R85-G117 PolarHBondContact NH2-O 2.73Å; R85-D118 VanDerWaalsContact NH1-C 3.3Å; R85-D118 PolarHBondContact NH1-O 2.92Å; R85-E119 PolarHBondContact NH1-O 3.47Å
86	Q	85.3	Confident	81	Confident	58 Å²	58	32.3 Å²	32.3	27%	0.271	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-29.7	177.1	-169.4	-176.5	-15.3	0	0	112.2	G44 V82 I83 A121	G44-Q86 PolarHBondContact O-NE2 3.38Å; G44-Q86 VanDerWaalsContact O-NE2 3.1Å; V82-Q86 WeakPolarHBondContact O-CB 3.46Å; V82-Q86 PolarHBondContact O-N 3.42Å; I83-Q86 PolarHBondContact O-N 2.71Å; Q86-A121 HydrophobicContact CG-CB 4.04Å
87	L	81.1	Confident	80.1	Confident	53 Å²	53	36.2 Å²	36.2	28%	0.277	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.6	175.7	-66.5	174.8	0	0	0	114.4	V46 L48 I83 R85 L89	V46-L87 HydrophobicContact CB-CD2 4.18Å; V46-L87 HydrophobicContact CG1-CD2 4.43Å; V46-L87 WeakPolarHBondContact O-CD2 3.31Å; L48-L87 HydrophobicContact CD1-CD1 4.06Å; L48-L87 HydrophobicContact CD2-CD1 3.79Å; L48-L87 HydrophobicContact CG-CD1 3.6Å; I83-L87 HydrophobicContact CG2-CD1 3.58Å; I83-L87 HydrophobicContact CG2-CG 4.17Å; I83-L87 WeakPolarHBondContact O-CB 3.5Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.04Å; I83-L87 PolarHBondContact O-N 3.01Å; R85-L87 PolarHBondContact O-N 3.17Å; L87-L89 VanDerWaalsContact C-N 3.28Å; L87-L89 HydrophobicContact CB-CD1 3.8Å; L87-L89 HydrophobicContact CB-CG 3.85Å; L87-L89 HydrophobicContact CD1-CD1 3.81Å; L87-L89 HydrophobicContact CG-CD1 4.48Å; L87-L89 PolarHBondContact O-N 3.26Å
88	G	81.7	Confident	78.7	Confident	69 Å²	69	34.1 Å²	34.1	71%	0.711	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	26.3	-175.1	0	0	0	0	0	114.2	C84 R85	C84-G88 PolarHBondContact O-N 2.9Å; R85-G88 PolarHBondContact O-N 3.44Å
89	L	78.1	Confident	77.2	Confident	70 Å²	70	35.6 Å²	35.6	37%	0.366	21%	0.213	S	C	.	.	S	Bend	trans	-92	-27.5	-178.8	-66	172.4	0	0	0	112.7	L48 S54 C84 L87 C145	L48-L89 HydrophobicContact CD1-CD1 3.69Å; L48-L89 HydrophobicContact CG-CD1 4.49Å; S54-L89 WeakPolarHBondContact O-CD1 3.45Å; C84-L89 PolarHBondContact O-N 3.39Å; L87-L89 VanDerWaalsContact C-N 3.28Å; L87-L89 HydrophobicContact CB-CD1 3.8Å; L87-L89 HydrophobicContact CB-CG 3.85Å; L87-L89 HydrophobicContact CD1-CD1 3.81Å; L87-L89 HydrophobicContact CG-CD1 4.48Å; L87-L89 PolarHBondContact O-N 3.26Å; L89-C145 HydrophobicContact CB-CB 3.7Å; L89-C145 HydrophobicContact CD1-CB 4.41Å
90	G	78.9	Confident	75.7	Confident	28 Å²	28	41.9 Å²	41.9	29%	0.289	24%	0.242	S	C	.	.			trans	160.6	162.5	174.7	0	0	0	0	0	112.5	C84 R85 I92	C84-G90 CarbonylContact C-O 3.5Å; C84-G90 WeakPolarHBondContact CB-O 3.43Å; C84-G90 PolarHBondContact O-N 3.21Å; R85-G90 PolarHBondContact N-O 2.03Å; G90-I92 VanDerWaalsContact C-N 3.26Å; G90-I92 PolarHBondContact O-N 3.47Å
91	D	78.4	Confident	74.6	Confident	74 Å²	74	43.4 Å²	43.4	40%	0.396	25%	0.249	S	C	.	.	S	Bend	trans	-85.2	7.1	-177.3	-55.2	-67.8	0	0	0	114.3	T81 W176	T81-D91 VanDerWaalsContact CG2-O 3.3Å; T81-D91 WeakPolarHBondContact CG2-O 3.43Å; D91-W176 PolarHBondContact O-NE1 3.01Å
92	I	77.4	Confident	73.2	Confident	13 Å²	13	44.7 Å²	44.7	7%	0.067	26%	0.264	C	S	.	.			trans	-123.1	127.6	173.3	-55.6	-173.8	0	0	0	108.1	G90 C145 A146 P147 P154 F171 W176	G90-I92 VanDerWaalsContact C-N 3.26Å; G90-I92 PolarHBondContact O-N 3.47Å; I92-C145 CarbonylContact O-C 3.57Å; I92-C145 WeakPolarHBondContact O-CA 3.39Å; I92-A146 WeakPolarHBondContact CG2-O 3.48Å; I92-A146 PolarHBondContact O-N 3.37Å; I92-P147 HydrophobicContact CD1-CB 3.93Å; I92-P147 HydrophobicContact CD1-CG 4.16Å; I92-P154 HydrophobicContact CD1-CB 4.39Å; I92-P154 HydrophobicContact CD1-CG 4.39Å; I92-F171 HydrophobicContact CD1-CB 4.37Å; I92-F171 HydrophobicContact CD1-CD1 3.83Å; I92-F171 HydrophobicContact CD1-CD2 3.75Å; I92-F171 HydrophobicContact CD1-CE1 3.92Å; I92-F171 HydrophobicContact CD1-CE2 3.84Å; I92-F171 HydrophobicContact CD1-CG 3.73Å; I92-F171 HydrophobicContact CD1-CZ 3.91Å; I92-F171 HydrophobicContact CG1-CD2 4.16Å; I92-F171 HydrophobicContact CG1-CE2 4.08Å; I92-F171 HydrophobicContact CG1-CZ 4.45Å; I92-W176 HydrophobicContact CD1-CZ2 3.97Å; I92-W176 HydrophobicContact CG1-CZ2 3.74Å
93	G	79.1	Confident	71.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	29%	0.289	C	S	.	.			trans	-130.9	126.6	169.2	0	0	0	0	0	111.2	D77 A80 T81 C84 V144	D77-G93 VanDerWaalsContact O-O 3.08Å; A80-G93 WeakPolarHBondContact CB-O 3.43Å; T81-G93 PolarHBondContact OG1-N 3.05Å; T81-G93 PolarHBondContact OG1-O 2.78Å; T81-G93 VanDerWaalsContact OG1-O 3.11Å; C84-G93 WeakPolarHBondContact SG-CA 3.33Å; G93-V144 CarbonylContact C-O 3.57Å; G93-V144 WeakPolarHBondContact CA-O 3.34Å
94	T	79.1	Confident	70.7	Confident	45 Å²	45	49.1 Å²	49.1	28%	0.276	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.7	173	-58.9	0	0	0	0	110.3	D77 L96 V143 V144	D77-T94 WeakPolarHBondContact OD1-CA 3.4Å; T94-L96 PolarHBondContact O-N 3.37Å; T94-V143 WeakPolarHBondContact O-CA 3.5Å; T94-V144 PolarHBondContact N-O 2.92Å; T94-V144 PolarHBondContact O-N 3.16Å; T94-V144 VanDerWaalsContact O-N 3.12Å
95	G	75	Confident	69.7	Low	16 Å²	16	52.6 Å²	52.6	17%	0.165	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	107.9	-179.3	0	0	0	0	0	112.4	W75 D77	W75-G95 VanDerWaalsContact NE1-CA 3.34Å; D77-G95 PolarHBondContact OD1-N 3.49Å
96	L	67.4	Low	68.7	Low	39 Å²	39	51.5 Å²	51.5	20%	0.204	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.2	171.8	-64.7	-175	0	0	0	110.4	T94 L98 F101 A142 V144	T94-L96 PolarHBondContact O-N 3.37Å; L96-L98 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact O-N 3.09Å; L96-F101 HydrophobicContact CD1-CE2 3.86Å; L96-F101 HydrophobicContact CD1-CZ 4.11Å; L96-A142 WeakPolarHBondContact CA-O 3.17Å; L96-A142 HydrophobicContact CB-CB 3.9Å; L96-A142 PolarHBondContact N-O 3.34Å; L96-A142 PolarHBondContact O-N 3.47Å; L96-V144 HydrophobicContact CD1-CG2 3.52Å; L96-V144 HydrophobicContact CG-CG2 4.06Å
97	Q	54.4	Low	68.2	Low	113 Å²	113	51.4 Å²	51.4	53%	0.528	33%	0.329	S	S	.	.			trans	-73.7	7.4	-177.1	-66.9	-174.8	-14.5	0	0	115.4	N72 W75	N72-Q97 HydrophobicContact CB-CB 4.45Å; N72-Q97 WeakPolarHBondContact CB-O 3.33Å; N72-Q97 PolarHBondContact ND2-O 3.17Å; W75-Q97 PolarHBondContact O-NE2 2.86Å
98	L	51.9	Low	67.9	Low	44 Å²	44	50.1 Å²	50.1	23%	0.23	32%	0.322	C	S	.	.	S	Bend	trans	-145.8	155.4	-171.8	-90.9	170.2	0	0	0	117.3	L96 Q100	L96-L98 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact O-N 3.09Å; L98-Q100 PolarHBondContact O-N 3.18Å
99	S	49.9	Very low	67.7	Low	57 Å²	57	47.8 Å²	47.8	40%	0.399	29%	0.292	S	S	.	.			trans	-61.7	32.2	-169	58.2	0	0	0	0	118.7	F101 G102	S99-F101 PolarHBondContact O-N 3.11Å; S99-G102 PolarHBondContact O-N 2.86Å
100	Q	54.3	Low	67.6	Low	133 Å²	133	45.2 Å²	45.2	62%	0.621	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.5	179.8	-60.7	-161	82.1	0	0	114.1	L98	L98-Q100 PolarHBondContact O-N 3.18Å
101	F	62	Low	67	Low	31 Å²	31	46.9 Å²	46.9	14%	0.136	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	16.4	-176.1	-49.5	-69.8	0	0	0	113.2	V49 G57 R58 L96 S99 A142	V49-F101 VanDerWaalsContact O-CB 3.26Å; V49-F101 WeakPolarHBondContact O-CB 3.28Å; G57-F101 VanDerWaalsContact CA-CD2 3.5Å; R58-F101 HydrophobicContact CB-CB 4.18Å; R58-F101 PolarHBondContact NH1-O 3.28Å; L96-F101 HydrophobicContact CD1-CE2 3.86Å; L96-F101 HydrophobicContact CD1-CZ 4.11Å; S99-F101 PolarHBondContact O-N 3.11Å; F101-A142 HydrophobicContact CD2-CB 3.7Å; F101-A142 HydrophobicContact CE2-CB 3.77Å
102	G	57.4	Low	66.6	Low	37 Å²	37	48.9 Å²	48.9	38%	0.381	28%	0.28	S	S	.	.			trans	80.4	172.9	-178.4	0	0	0	0	0	114	R58 S99	R58-G102 PolarHBondContact NH1-O 2.92Å; S99-G102 PolarHBondContact O-N 2.86Å
103	S	60.9	Low	66.5	Low	76 Å²	76	48.8 Å²	48.8	53%	0.531	28%	0.28	S	S	.	.			trans	-76.6	149.4	177.2	-48.2	0	0	0	0	112.1	E140	S103-E140 WeakPolarHBondContact CA-OE1 3.32Å
104	G	62	Low	66.3	Low	18 Å²	18	50.4 Å²	50.4	19%	0.186	30%	0.296	C	S	.	.			trans	-85.8	-157.7	174.8	0	0	0	0	0	113.3	G106 E140	G104-G106 VanDerWaalsContact C-N 3.25Å; G104-G106 PolarHBondContact O-N 2.8Å; G104-E140 PolarHBondContact N-OE1 3.48Å
105	S	64.2	Low	66.5	Low	73 Å²	73	48.5 Å²	48.5	51%	0.51	29%	0.285	S	S	.	.			trans	-71.6	-12.7	-179.6	49.3	0	0	0	0	114.5	W67 L107	W67-S105 PolarHBondContact O-OG 3.45Å; S105-L107 PolarHBondContact O-N 2.95Å
106	G	64.6	Low	66.7	Low	33 Å²	33	52.7 Å²	52.7	34%	0.34	30%	0.296	S	S	.	.	S	Bend	trans	81.9	-9	-169.4	0	0	0	0	0	114.1	G104 H137	G104-G106 VanDerWaalsContact C-N 3.25Å; G104-G106 PolarHBondContact O-N 2.8Å; G106-H137 WeakPolarHBondContact CA-CE1 3.45Å; G106-H137 PolarHBondContact N-CE1 2.79Å
107	L	73.7	Confident	67.2	Low	56 Å²	56	50.9 Å²	50.9	29%	0.293	29%	0.287	S	S	.	.			trans	-82.3	125.6	167.9	177.9	63.4	0	0	0	108.7	Q66 G68 A69 S105	Q66-L107 HydrophobicContact CB-CD2 3.72Å; G68-L107 CarbonylContact C-O 3.49Å; G68-L107 WeakPolarHBondContact CA-O 3.36Å; A69-L107 PolarHBondContact N-O 3.48Å; S105-L107 PolarHBondContact O-N 2.95Å
108	F	76.4	Confident	68.4	Low	26 Å²	26	48.9 Å²	48.9	11%	0.114	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136	167	-71.8	-94.3	0	0	0	109.1	A69 C71 C135 S136 N139 E140	A69-F108 HydrophobicContact CB-CD1 3.81Å; A69-F108 HydrophobicContact CB-CE1 3.84Å; A69-F108 HydrophobicContact CB-CG 4.46Å; A69-F108 HydrophobicContact CB-CZ 4.5Å; A69-F108 WeakPolarHBondContact O-CA 3.45Å; C71-F108 HydrophobicContact CB-CD1 3.86Å; C71-F108 HydrophobicContact CB-CE1 4.06Å; F108-C135 HydrophobicContact CD1-CB 4.16Å; F108-C135 HydrophobicContact CD2-CB 4.12Å; F108-C135 WeakPolarHBondContact CD2-O 3.39Å; F108-C135 HydrophobicContact CE1-CB 4.37Å; F108-C135 HydrophobicContact CE2-CB 4.35Å; F108-C135 WeakPolarHBondContact CE2-O 3.28Å; F108-C135 HydrophobicContact CG-CB 4.02Å; F108-C135 HydrophobicContact CZ-CB 4.47Å; F108-S136 VanDerWaalsContact CZ-O 3.32Å; F108-S136 WeakPolarHBondContact CZ-O 3.28Å; F108-N139 HydrophobicContact CZ-CB 4.34Å; F108-E140 HydrophobicContact CE1-CG 4Å; F108-E140 HydrophobicContact CZ-CG 3.84Å
109	H	77	Confident	70.1	Confident	21 Å²	21	47.6 Å²	47.6	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-26.1	174.5	-73.5	-47.4	0	0	0	112.9	V61 L63 Q66 G68 A69	V61-H109 PolarHBondContact O-CD2 2.88Å; L63-H109 HydrophobicContact CD1-CB 4.01Å; L63-H109 PolarHBondContact N-NE2 3.47Å; L63-H109 PolarHBondContact O-CE1 2.87Å; L63-H109 VanDerWaalsContact O-CE1 3.29Å; L63-H109 PolarHBondContact O-NE2 2.97Å; Q66-H109 PolarHBondContact O-NE2 2.88Å; G68-H109 VanDerWaalsContact CA-CD2 3.41Å; G68-H109 WeakPolarHBondContact CA-CD2 3.46Å; G68-H109 PolarHBondContact N-CD2 2.84Å; G68-H109 VanDerWaalsContact N-CD2 3.34Å; G68-H109 PolarHBondContact N-NE2 3.01Å; A69-H109 PolarHBondContact O-N 2.73Å
110	Y	75.2	Confident	71.6	Confident	15 Å²	15	49.3 Å²	49.3	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.6	178	-66.6	-80.7	0	0	0	110	V61 L63 V70 C71 L113	V61-Y110 HydrophobicContact CB-CE2 4.46Å; V61-Y110 HydrophobicContact CG1-CE2 4.27Å; V61-Y110 HydrophobicContact CG2-CD2 4.35Å; V61-Y110 HydrophobicContact CG2-CE2 4.31Å; L63-Y110 HydrophobicContact CD1-CE2 3.73Å; V70-Y110 HydrophobicContact CG2-CD2 4.14Å; C71-Y110 WeakPolarHBondContact CB-O 3.19Å; C71-Y110 PolarHBondContact N-O 3.45Å; Y110-L113 HydrophobicContact CD1-CD2 3.68Å; Y110-L113 HydrophobicContact CD1-CG 4.24Å; Y110-L113 HydrophobicContact CE1-CD2 3.99Å; Y110-L113 HydrophobicContact CG-CD2 3.97Å; Y110-L113 HydrophobicContact CG-CG 4.16Å
111	E	67.3	Low	72.9	Confident	63 Å²	63	43.8 Å²	43.8	29%	0.294	25%	0.254	S	S	.	.	S	Bend	trans	-89.2	-45	173.3	167.9	164.5	-140.3	0	0	111.6	S73 G133	S73-E111 PolarHBondContact OG-O 3.38Å; E111-G133 WeakPolarHBondContact OE1-CA 3.35Å
112	R	70.1	Confident	73.8	Confident	117 Å²	117	42.4 Å²	42.4	44%	0.442	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-130.9	115	171.5	-175.5	178.3	-63.2	-176.5	3	109.3	H74 R128	H74-R112 HydrophobicContact CB-CG 3.93Å; H74-R112 PolarHBondContact CD2-NE 3.04Å; H74-R112 PolarHBondContact CE1-NH2 2.81Å; H74-R112 PolarHBondContact NE2-NE 3Å; H74-R112 PolarHBondContact NE2-NH2 2.7Å; R112-R128 PolarHBondContact O-N 3.31Å
113	L	74	Confident	74.9	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.052	26%	0.259	C	S	.	.			trans	-87.5	162.2	156.2	-72.9	165.7	0	0	0	108.8	V70 W75 D79 Y110 L122 C125	V70-L113 HydrophobicContact CG1-CD1 3.64Å; V70-L113 HydrophobicContact CG1-CG 4.49Å; V70-L113 HydrophobicContact CG2-CD1 3.98Å; W75-L113 HydrophobicContact CE3-CD1 4.41Å; W75-L113 HydrophobicContact CZ3-CD1 3.81Å; D79-L113 WeakPolarHBondContact OD1-CB 3.47Å; Y110-L113 HydrophobicContact CD1-CD2 3.68Å; Y110-L113 HydrophobicContact CD1-CG 4.24Å; Y110-L113 HydrophobicContact CE1-CD2 3.99Å; Y110-L113 HydrophobicContact CG-CD2 3.97Å; Y110-L113 HydrophobicContact CG-CG 4.16Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; L113-L122 HydrophobicContact CD1-CD2 3.85Å; L113-L122 HydrophobicContact CD2-CD2 4.46Å; L113-C125 HydrophobicContact CD2-CB 4.49Å
114	G	74.9	Confident	76	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	26%	0.261	S	S	.	.			trans	-157.9	74.7	174.5	0	0	0	0	0	107.1	D79 R126	D79-G114 PolarHBondContact OD1-N 2.96Å; G114-R126 PolarHBondContact N-O 3.02Å; G114-R126 PolarHBondContact O-N 2.73Å
115	C	83.2	Confident	77	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.034	25%	0.254	C	S	.	.			trans	-78.8	136.8	171.7	-62.7	0	0	0	0	110.2	R78 D79 V82 G117 E119 C125	R78-C115 WeakPolarHBondContact CB-O 3.47Å; D79-C115 HydrophobicContact CB-CB 4.4Å; D79-C115 WeakPolarHBondContact OD1-CB 3.43Å; D79-C115 PolarHBondContact OD1-N 2.85Å; D79-C115 PolarHBondContact OD1-SG 3.14Å; D79-C115 VanDerWaalsContact OD1-SG 3.41Å; V82-C115 HydrophobicContact CB-CB 4.49Å; V82-C115 HydrophobicContact CG2-CB 3.77Å; C115-G117 PolarHBondContact O-N 2.91Å; C115-E119 VanDerWaalsContact CA-OE1 3.29Å; C115-E119 WeakPolarHBondContact CA-OE1 3.37Å; C115-C125 VanDerWaalsContact CA-SG 3.58Å; C115-C125 HydrophobicContact CB-CB 3.87Å; C115-C125 WeakPolarHBondContact CB-SG 3.42Å; C115-C125 WeakPolarHBondContact SG-CB 2.99Å; C115-C125 CovalentContact SG-SG 2.03Å; C115-C125 PolarHBondContact SG-SG 3.36Å
116	R	79.6	Confident	77.5	Confident	104 Å²	104	51.3 Å²	51.3	39%	0.392	26%	0.259	S	S	.	.			trans	-72.8	-17.8	172.3	-63.7	-179.8	178.4	-166.5	-5.6	112.6	E119 E161	R116-E119 VanDerWaalsContact N-CD 3.29Å; R116-E119 PolarHBondContact N-OE1 3.39Å; R116-E119 PolarHBondContact N-OE2 3.09Å; R116-E161 IonicContact NH2-OE1 2.97Å; R116-E161 PolarHBondContact NH2-OE1 2.95Å
117	G	78.3	Confident	77.7	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	97.8	-6.9	178.5	0	0	0	0	0	113.7	R85 C115 E119	R85-G117 PolarHBondContact NH2-O 2.73Å; C115-G117 PolarHBondContact O-N 2.91Å; G117-E119 PolarHBondContact N-OE2 3.33Å
118	D	79.8	Confident	76.8	Confident	71 Å²	71	58.4 Å²	58.4	38%	0.38	28%	0.279	S	S	.	.			trans	-96	-9.8	173.2	58.5	-0.7	0	0	0	113.4	R85 V158	R85-D118 VanDerWaalsContact NH1-C 3.3Å; R85-D118 PolarHBondContact NH1-O 2.92Å; D118-V158 HydrophobicContact CB-CG1 3.74Å
119	E	86.8	Confident	75.6	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.079	30%	0.3	C	S	.	.			trans	-68.3	138.2	-177.1	-57.5	95.5	148.7	0	0	114.3	V82 R85 C115 R116 G117 A121 K124	V82-E119 HydrophobicContact CG1-CB 4.26Å; V82-E119 WeakPolarHBondContact CG1-O 3.48Å; V82-E119 HydrophobicContact CG2-CB 4.03Å; V82-E119 WeakPolarHBondContact CG2-O 3.22Å; R85-E119 PolarHBondContact NH1-O 3.47Å; C115-E119 VanDerWaalsContact CA-OE1 3.29Å; C115-E119 WeakPolarHBondContact CA-OE1 3.37Å; R116-E119 VanDerWaalsContact N-CD 3.29Å; R116-E119 PolarHBondContact N-OE1 3.39Å; R116-E119 PolarHBondContact N-OE2 3.09Å; G117-E119 PolarHBondContact N-OE2 3.33Å; E119-A121 VanDerWaalsContact C-N 3.28Å; E119-A121 PolarHBondContact O-N 2.93Å; E119-K124 HydrophobicContact CB-CB 4.03Å; E119-K124 HydrophobicContact CG-CB 3.95Å
120	D	81.3	Confident	74	Confident	93 Å²	93	68 Å²	68	50%	0.497	33%	0.328	S	S	.	.	S	Bend	trans	-75.7	-13.8	176.6	-45.4	-70.4	0	0	0	114.2	K124	D120-K124 IonicContact OD2-NZ 2.8Å; D120-K124 PolarHBondContact OD2-NZ 3.21Å
121	A	83.1	Confident	72.2	Confident	16 Å²	16	73 Å²	73	13%	0.132	36%	0.36	C	S	.	.	S	Bend	trans	-161	147.5	-176	0	0	0	0	0	112	Q86 E119 S123 K124	Q86-A121 HydrophobicContact CG-CB 4.04Å; E119-A121 VanDerWaalsContact C-N 3.28Å; E119-A121 PolarHBondContact O-N 2.93Å; A121-S123 PolarHBondContact O-N 3.47Å; A121-K124 WeakPolarHBondContact O-CB 3.36Å; A121-K124 PolarHBondContact O-N 3.19Å
122	L	80.8	Confident	71.2	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-53.8	-28.9	178.6	-70.8	-175.9	0	0	0	114.3	V46 V61 V82 I83 L113 K124 C125	V46-L122 HydrophobicContact CG2-CD1 3.79Å; V46-L122 HydrophobicContact CG2-CG 4.35Å; V61-L122 HydrophobicContact CG2-CD1 3.8Å; V82-L122 HydrophobicContact CG1-CD2 4.13Å; I83-L122 HydrophobicContact CD1-CD1 3.78Å; I83-L122 HydrophobicContact CD1-CD2 4.18Å; I83-L122 HydrophobicContact CD1-CG 4.3Å; I83-L122 HydrophobicContact CG1-CD1 3.86Å; I83-L122 HydrophobicContact CG1-CD2 3.7Å; I83-L122 HydrophobicContact CG1-CG 3.83Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; L113-L122 HydrophobicContact CD1-CD2 3.85Å; L113-L122 HydrophobicContact CD2-CD2 4.46Å; L122-K124 PolarHBondContact O-N 3.22Å; L122-C125 PolarHBondContact O-N 3.47Å
123	S	80	Confident	70.2	Confident	87 Å²	87	73 Å²	73	61%	0.608	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-69.6	-10.5	179.1	54.7	0	0	0	0	114.3	A121	A121-S123 PolarHBondContact O-N 3.47Å
124	K	83.5	Confident	69.2	Low	131 Å²	131	79.7 Å²	79.7	57%	0.57	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-92.1	-24.4	171.2	-63.4	-176.1	175.2	-170.3	0	113.1	E119 D120 A121 L122	E119-K124 HydrophobicContact CB-CB 4.03Å; E119-K124 HydrophobicContact CG-CB 3.95Å; D120-K124 IonicContact OD2-NZ 2.8Å; D120-K124 PolarHBondContact OD2-NZ 3.21Å; A121-K124 WeakPolarHBondContact O-CB 3.36Å; A121-K124 PolarHBondContact O-N 3.19Å; L122-K124 PolarHBondContact O-N 3.22Å
125	C	83.1	Confident	68.4	Low	6 Å²	6	79.3 Å²	79.3	4%	0.041	41%	0.413	C	S	.	.	S	Bend	trans	-68	150.9	-176.3	-55.4	0	0	0	0	111.9	L113 C115 L122 S127	L113-C125 HydrophobicContact CD2-CB 4.49Å; C115-C125 VanDerWaalsContact CA-SG 3.58Å; C115-C125 HydrophobicContact CB-CB 3.87Å; C115-C125 WeakPolarHBondContact CB-SG 3.42Å; C115-C125 WeakPolarHBondContact SG-CB 2.99Å; C115-C125 CovalentContact SG-SG 2.03Å; C115-C125 PolarHBondContact SG-SG 3.36Å; L122-C125 PolarHBondContact O-N 3.47Å; C125-S127 PolarHBondContact O-N 3.36Å
126	R	75.8	Confident	67.2	Low	167 Å²	167	82.5 Å²	82.5	63%	0.63	44%	0.436	S	S	*	.			trans	-69.8	119.9	177.7	-168.1	172.9	179.4	-169.2	-5.2	109.2	G114 E161	G114-R126 PolarHBondContact N-O 3.02Å; G114-R126 PolarHBondContact O-N 2.73Å; R126-E161 IonicContact CZ-OE1 3.93Å; R126-E161 IonicContact CZ-OE2 3.43Å; R126-E161 IonicContact NH1-OE1 3.8Å; R126-E161 PolarHBondContact NH1-OE1 3.05Å; R126-E161 IonicContact NH1-OE2 3.52Å; R126-E161 PolarHBondContact NH1-OE2 2.66Å
127	S	67.5	Low	66.1	Low	46 Å²	46	83.6 Å²	83.6	32%	0.322	45%	0.445	S	S	.	.			trans	-132.5	143.2	-176.9	50.7	0	0	0	0	111.8	C125	C125-S127 PolarHBondContact O-N 3.36Å
128	R	54.3	Low	65.1	Low	193 Å²	193	84.4 Å²	84.4	73%	0.728	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-97.2	106.7	167.8	-74.9	-171.3	176.3	-166.9	-1.3	108.7	R112	R112-R128 PolarHBondContact O-N 3.31Å
129	T	52.3	Low	64.6	Low	89 Å²	89	82.7 Å²	82.7	55%	0.546	44%	0.444	S	S	.	.			trans	-92.5	105.5	176.3	54.5	0	0	0	0	110.6
130	F	44.1	Very low	64.1	Low	159 Å²	159	82 Å²	82	70%	0.697	44%	0.44	S	S	*	.			trans	65.7	117.3	174.2	-57	-86.2	0	0	0	117.3
131	V	35.7	Very low	64.1	Low	120 Å²	120	77.5 Å²	77.5	73%	0.727	42%	0.417	S	S	*	.	S	Bend		-162.3	116.2	108.3	147.1	0	0	0	0	108
132	T	46.2	Very low	64.1	Low	138 Å²	138	76.8 Å²	76.8	85%	0.847	41%	0.411	S	S	*	.			trans	33	93.5	167.1	57.6	0	0	0	0	118.1
133	G	49.8	Very low	64.3	Low	41 Å²	41	76.7 Å²	76.7	42%	0.423	41%	0.41	S	S	.	.			trans	-152.4	179.6	172	0	0	0	0	0	114.6	E111 C135	E111-G133 WeakPolarHBondContact OE1-CA 3.35Å; G133-C135 VanDerWaalsContact C-N 3.29Å; G133-C135 PolarHBondContact O-N 2.86Å
134	D	52.5	Low	64.4	Low	152 Å²	152	74.6 Å²	74.6	81%	0.813	39%	0.394	S	S	*	.			trans	-77.7	15.9	-149.9	-60.2	-61.1	0	0	0	117.5	S136	D134-S136 PolarHBondContact O-N 3.37Å
135	C	58.9	Low	64.4	Low	27 Å²	27	68.9 Å²	68.9	18%	0.182	37%	0.37	C	S	.	.			trans	-76.4	95	-176	-65.9	0	0	0	0	112.7	C71 F108 G133	C71-C135 HydrophobicContact CB-CB 3.88Å; C71-C135 WeakPolarHBondContact CB-SG 3.5Å; C71-C135 WeakPolarHBondContact SG-CB 3.24Å; C71-C135 CovalentContact SG-SG 2.04Å; C71-C135 PolarHBondContact SG-SG 2.71Å; F108-C135 HydrophobicContact CD1-CB 4.16Å; F108-C135 HydrophobicContact CD2-CB 4.12Å; F108-C135 WeakPolarHBondContact CD2-O 3.39Å; F108-C135 HydrophobicContact CE1-CB 4.37Å; F108-C135 HydrophobicContact CE2-CB 4.35Å; F108-C135 WeakPolarHBondContact CE2-O 3.28Å; F108-C135 HydrophobicContact CG-CB 4.02Å; F108-C135 HydrophobicContact CZ-CB 4.47Å; G133-C135 VanDerWaalsContact C-N 3.29Å; G133-C135 PolarHBondContact O-N 2.86Å
136	S	58.8	Low	63.9	Low	72 Å²	72	70.3 Å²	70.3	50%	0.503	38%	0.382	S	S	.	.			trans	-112.2	170.9	179.1	62.4	0	0	0	0	113.1	F108 D134 G138 N139	F108-S136 VanDerWaalsContact CZ-O 3.32Å; F108-S136 WeakPolarHBondContact CZ-O 3.28Å; D134-S136 PolarHBondContact O-N 3.37Å; S136-G138 PolarHBondContact O-N 3.25Å; S136-N139 WeakPolarHBondContact O-CB 3.42Å; S136-N139 PolarHBondContact O-N 2.87Å; S136-N139 VanDerWaalsContact O-N 3.1Å
137	H	56.7	Low	63.4	Low	127 Å²	127	66 Å²	66	59%	0.588	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	123.2	179.6	-77	-75.3	0	0	0	112.1	G106	G106-H137 WeakPolarHBondContact CA-CE1 3.45Å; G106-H137 PolarHBondContact N-CE1 2.79Å
138	G	56.3	Low	63	Low	18 Å²	18	67.3 Å²	67.3	19%	0.186	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.5	-23.9	-173.9	0	0	0	0	0	113.4	S136 E140	S136-G138 PolarHBondContact O-N 3.25Å; G138-E140 VanDerWaalsContact C-N 3.29Å; G138-E140 WeakPolarHBondContact CA-OE2 2.97Å; G138-E140 PolarHBondContact N-OE2 3.42Å; G138-E140 PolarHBondContact O-N 3.32Å
139	N	69.2	Low	62.9	Low	35 Å²	35	68 Å²	68	19%	0.187	40%	0.395	C	S	.	.			trans	-88.6	18.3	178.8	-70.4	-8.1	0	0	0	113.3	C71 N72 F108 S136 A141	C71-N139 CarbonylContact C-O 3.53Å; C71-N139 WeakPolarHBondContact CA-O 3.45Å; N72-N139 WeakPolarHBondContact CB-O 3.28Å; N72-N139 PolarHBondContact N-O 2.71Å; N72-N139 VanDerWaalsContact OD1-CB 3.28Å; N72-N139 WeakPolarHBondContact OD1-CB 3.36Å; N72-N139 PolarHBondContact OD1-O 3.43Å; F108-N139 HydrophobicContact CZ-CB 4.34Å; S136-N139 WeakPolarHBondContact O-CB 3.42Å; S136-N139 PolarHBondContact O-N 2.87Å; S136-N139 VanDerWaalsContact O-N 3.1Å; N139-A141 PolarHBondContact O-N 3.35Å
140	E	76.5	Confident	62.9	Low	2 Å²	2	67 Å²	67	1%	0.009	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-73.9	121.9	178.3	-54.8	95.5	149.6	0	0	112.1	R58 A69 V70 S103 G104 F108 G138	R58-E140 HydrophobicContact CG-CB 3.76Å; A69-E140 HydrophobicContact CB-CB 3.93Å; A69-E140 HydrophobicContact CB-CG 3.51Å; V70-E140 WeakPolarHBondContact O-CA 2.89Å; S103-E140 WeakPolarHBondContact CA-OE1 3.32Å; G104-E140 PolarHBondContact N-OE1 3.48Å; F108-E140 HydrophobicContact CE1-CG 4Å; F108-E140 HydrophobicContact CZ-CG 3.84Å; G138-E140 VanDerWaalsContact C-N 3.29Å; G138-E140 WeakPolarHBondContact CA-OE2 2.97Å; G138-E140 PolarHBondContact N-OE2 3.42Å; G138-E140 PolarHBondContact O-N 3.32Å
141	A	80.8	Confident	63.3	Low	0 Å²	0	64.7 Å²	64.7	0%	0	41%	0.406	C	S	.	.			trans	-62.5	149.9	176.4	0	0	0	0	0	112.6	R58 V59 V70 W75 N139	R58-A141 WeakPolarHBondContact CA-O 3.47Å; V59-A141 PolarHBondContact N-O 2.02Å; V70-A141 HydrophobicContact CB-CB 4.02Å; V70-A141 HydrophobicContact CG1-CB 3.8Å; V70-A141 WeakPolarHBondContact O-CB 3.49Å; V70-A141 PolarHBondContact O-N 3.18Å; W75-A141 HydrophobicContact CB-CB 4.27Å; W75-A141 HydrophobicContact CD2-CB 3.6Å; W75-A141 HydrophobicContact CE3-CB 4.01Å; W75-A141 HydrophobicContact CG-CB 3.69Å; N139-A141 PolarHBondContact O-N 3.35Å
142	A	83.1	Confident	64.6	Low	1 Å²	1	60 Å²	60	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.5	179.9	0	0	0	0	0	111.6	G57 W75 L96 F101	G57-A142 CarbonylContact O-C 3.59Å; G57-A142 VanDerWaalsContact O-CA 3.22Å; G57-A142 WeakPolarHBondContact O-CA 3.41Å; G57-A142 VanDerWaalsContact O-CB 3.29Å; G57-A142 WeakPolarHBondContact O-CB 3.35Å; W75-A142 PolarHBondContact NE1-O 3.28Å; L96-A142 WeakPolarHBondContact CA-O 3.17Å; L96-A142 HydrophobicContact CB-CB 3.9Å; L96-A142 PolarHBondContact N-O 3.34Å; L96-A142 PolarHBondContact O-N 3.47Å; F101-A142 HydrophobicContact CD2-CB 3.7Å; F101-A142 HydrophobicContact CE2-CB 3.77Å
143	V	84.6	Confident	65.8	Low	0 Å²	0	54.2 Å²	54.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.1	-176.4	56.8	0	0	0	0	112.2	L48 S56 G57 V59 W75 A80 I83 C84 T94	L48-V143 HydrophobicContact CD1-CG1 4.08Å; L48-V143 HydrophobicContact CD2-CG1 3.33Å; L48-V143 HydrophobicContact CG-CG1 4.37Å; S56-V143 WeakPolarHBondContact CA-O 3.49Å; S56-V143 WeakPolarHBondContact CB-O 3.47Å; G57-V143 PolarHBondContact N-O 2.65Å; G57-V143 VanDerWaalsContact N-O 3.08Å; G57-V143 PolarHBondContact O-N 3.03Å; V59-V143 HydrophobicContact CG2-CG1 3.95Å; W75-V143 HydrophobicContact CZ2-CB 4.43Å; A80-V143 HydrophobicContact CB-CB 4.29Å; A80-V143 HydrophobicContact CB-CG2 3.73Å; I83-V143 HydrophobicContact CG2-CG1 4.19Å; C84-V143 WeakPolarHBondContact SG-CG2 3.04Å; T94-V143 WeakPolarHBondContact O-CA 3.5Å
144	V	83.6	Confident	67.4	Low	43 Å²	43	53.6 Å²	53.6	26%	0.261	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.8	160.4	-175.2	0	0	0	0	108.7	D55 G93 T94 L96 A146	D55-V144 CarbonylContact O-C 3.51Å; D55-V144 WeakPolarHBondContact O-CA 3.24Å; G93-V144 CarbonylContact C-O 3.57Å; G93-V144 WeakPolarHBondContact CA-O 3.34Å; T94-V144 PolarHBondContact N-O 2.92Å; T94-V144 PolarHBondContact O-N 3.16Å; T94-V144 VanDerWaalsContact O-N 3.12Å; L96-V144 HydrophobicContact CD1-CG2 3.52Å; L96-V144 HydrophobicContact CG-CG2 4.06Å; V144-A146 HydrophobicContact CG1-CB 4.08Å; V144-A146 PolarHBondContact O-N 3.09Å
145	C	82.3	Confident	69.1	Low	10 Å²	10	47.4 Å²	47.4	7%	0.068	30%	0.302	C	S	.	.			trans	-98	69	-179.2	-58.4	0	0	0	0	110.9	D55 C84 L89 I92	D55-C145 WeakPolarHBondContact O-CB 3.29Å; D55-C145 PolarHBondContact O-N 2.67Å; C84-C145 WeakPolarHBondContact CA-SG 3.49Å; C84-C145 HydrophobicContact CB-CB 3.64Å; C84-C145 WeakPolarHBondContact CB-SG 3.13Å; C84-C145 WeakPolarHBondContact SG-CA 3.49Å; C84-C145 WeakPolarHBondContact SG-CB 3.38Å; C84-C145 CovalentContact SG-SG 2.03Å; C84-C145 PolarHBondContact SG-SG 2.88Å; L89-C145 HydrophobicContact CB-CB 3.7Å; L89-C145 HydrophobicContact CD1-CB 4.41Å; I92-C145 CarbonylContact O-C 3.57Å; I92-C145 WeakPolarHBondContact O-CA 3.39Å
146	A	73.9	Confident	70.4	Confident	37 Å²	37	48.3 Å²	48.3	31%	0.306	30%	0.302	S	S	.	.	S	Bend	trans	-148.9	152.7	179.7	0	0	0	0	0	110.8	I92 V144	I92-A146 WeakPolarHBondContact CG2-O 3.48Å; I92-A146 PolarHBondContact O-N 3.37Å; V144-A146 HydrophobicContact CG1-CB 4.08Å; V144-A146 PolarHBondContact O-N 3.09Å
147	P	64.3	Low	71.8	Confident	77 Å²	77	45.3 Å²	45.3	50%	0.5	28%	0.28	S	S	.	.			trans	-59.9	138.1	169.1	-20	32.1	0	0	0	111.4	I92 F171	I92-P147 HydrophobicContact CD1-CB 3.93Å; I92-P147 HydrophobicContact CD1-CG 4.16Å; P147-F171 HydrophobicContact CB-CE1 4.47Å; P147-F171 HydrophobicContact CG-CE1 4.14Å; P147-F171 HydrophobicContact CG-CZ 4.45Å
148	P	59.2	Low	73.4	Confident	73 Å²	73	39.3 Å²	39.3	47%	0.474	25%	0.252	S	S	.	.			trans	-66.6	138.4	176.3	27.5	-34.9	0	0	0	111.3	G150 P154	P148-G150 PolarHBondContact O-N 3.42Å; P148-P154 HydrophobicContact CG-CB 4.22Å; P148-P154 HydrophobicContact CG-CG 4.07Å
149	E	51.4	Low	74.5	Confident	206 Å²	206	39 Å²	39	96%	0.963	25%	0.249	S	C	*	.			trans	-70.1	113.6	177.3	-65.9	-171.2	166.3	0	0	110.8
150	G	52.8	Low	75.1	Confident	70 Å²	70	38.1 Å²	38.1	72%	0.722	25%	0.246	S	C	*	.			trans	-157.3	173.8	-176.4	0	0	0	0	0	113.2	P148	P148-G150 PolarHBondContact O-N 3.42Å
151	S	52	Low	74.7	Confident	110 Å²	110	42.9 Å²	42.9	77%	0.769	27%	0.268	S	S	*	.	S	Bend	trans	-105.3	4.6	-177.9	62.6	0	0	0	0	114.7
152	G	63.3	Low	74.2	Confident	21 Å²	21	47.7 Å²	47.7	22%	0.216	29%	0.29	C	S	.	.	S	Bend	trans	-141.1	168.3	174.6	0	0	0	0	0	109.3
153	P	72.1	Confident	73.5	Confident	16 Å²	16	51 Å²	51	10%	0.104	31%	0.308	C	S	.	.			trans	-67.8	138	-172.9	28.1	-35.3	0	0	0	111.3	V170 Q195 D232	P153-V170 HydrophobicContact CB-CG1 3.77Å; P153-V170 HydrophobicContact CG-CG1 4.04Å; P153-Q195 PolarHBondContact O-NE2 3.18Å; P153-D232 WeakPolarHBondContact CD-OD1 3.39Å; P153-D232 WeakPolarHBondContact CD-OD2 3.49Å; P153-D232 HydrophobicContact CG-CB 4.02Å
154	P	82.3	Confident	73	Confident	29 Å²	29	52.1 Å²	52.1	19%	0.188	31%	0.313	C	S	.	.			trans	-57.1	141.9	167.6	-21.4	31.1	0	0	0	111.1	I92 P148 F171 W176	I92-P154 HydrophobicContact CD1-CB 4.39Å; I92-P154 HydrophobicContact CD1-CG 4.39Å; P148-P154 HydrophobicContact CG-CB 4.22Å; P148-P154 HydrophobicContact CG-CG 4.07Å; P154-F171 HydrophobicContact CB-CB 3.92Å; P154-F171 HydrophobicContact CG-CB 4.13Å; P154-F171 HydrophobicContact CG-CD1 4.24Å; P154-F171 PolarHBondContact O-N 3.26Å; P154-W176 HydrophobicContact CB-CH2 4.07Å
155	L	88.6	Confident	73.1	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144	-177.6	-169.9	154.1	0	0	0	108.7	L157 V168 E169 V170 V192 L196 L231	L155-L157 HydrophobicContact CD2-CD2 4.33Å; L155-V168 HydrophobicContact CD1-CG1 4.07Å; L155-V168 HydrophobicContact CD2-CG1 4.25Å; L155-V168 HydrophobicContact CG-CG1 4.22Å; L155-E169 CarbonylContact C-O 3.53Å; L155-E169 WeakPolarHBondContact CA-O 3.36Å; L155-V170 HydrophobicContact CD1-CG2 4.08Å; L155-V170 HydrophobicContact CG-CG2 4.26Å; L155-V192 HydrophobicContact CD1-CG1 4.26Å; L155-V192 HydrophobicContact CD1-CG2 4.03Å; L155-V192 HydrophobicContact CD2-CG1 3.7Å; L155-L196 HydrophobicContact CD2-CD1 3.78Å; L155-L196 HydrophobicContact CD2-CD2 3.87Å; L155-L196 HydrophobicContact CD2-CG 3.89Å; L155-L231 HydrophobicContact CD1-CB 4.3Å; L155-L231 HydrophobicContact CD1-CD2 3.98Å
156	R	86.4	Confident	73.5	Confident	46 Å²	46	51.6 Å²	51.6	17%	0.174	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.8	174.8	67.9	-179.8	-175.4	-166.9	4	112.3	V158 E169 W176	R156-V158 HydrophobicContact CG-CG2 3.78Å; R156-E169 HydrophobicContact CG-CB 3.92Å; R156-E169 IonicContact CZ-OE2 2.71Å; R156-E169 PolarHBondContact N-O 2.87Å; R156-E169 IonicContact NE-OE2 3.28Å; R156-E169 PolarHBondContact NE-OE2 2.8Å; R156-E169 IonicContact NH2-OE2 2.82Å; R156-E169 PolarHBondContact NH2-OE2 2.91Å; R156-E169 PolarHBondContact O-N 2.95Å; R156-W176 HydrophobicContact CB-CH2 3.9Å; R156-W176 HydrophobicContact CB-CZ3 4.12Å; R156-W176 HydrophobicContact CG-CD2 4.41Å; R156-W176 HydrophobicContact CG-CE3 3.93Å; R156-W176 HydrophobicContact CG-CH2 3.74Å; R156-W176 HydrophobicContact CG-CZ2 4.21Å; R156-W176 HydrophobicContact CG-CZ3 3.6Å; R156-W176 VanDerWaalsContact NH1-NE1 3.15Å
157	L	89.6	Confident	74.5	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	171.2	-55.7	-176.8	0	0	0	110	R78 L155 R167 V168 V192 L196 V252	R78-L157 PolarHBondContact NE-O 2.97Å; R78-L157 PolarHBondContact NH2-O 2.88Å; L155-L157 HydrophobicContact CD2-CD2 4.33Å; L157-R167 WeakPolarHBondContact CA-O 3.23Å; L157-V168 HydrophobicContact CD2-CG2 4Å; L157-V192 HydrophobicContact CD2-CG1 4.1Å; L157-L196 HydrophobicContact CD1-CD1 3.65Å; L157-L196 HydrophobicContact CD2-CD1 3.93Å; L157-L196 HydrophobicContact CG-CD1 3.56Å; L157-V252 HydrophobicContact CD1-CG2 3.87Å; L157-V252 HydrophobicContact CD2-CG2 3.49Å; L157-V252 VanDerWaalsContact CD2-CG2 3.49Å; L157-V252 HydrophobicContact CG-CG2 4.35Å
158	V	89.1	Confident	76	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.9	-171.5	-172.7	0	0	0	0	111.2	D118 R156 G166 R167 E169	D118-V158 HydrophobicContact CB-CG1 3.74Å; R156-V158 HydrophobicContact CG-CG2 3.78Å; V158-G166 CarbonylContact O-C 3.5Å; V158-G166 VanDerWaalsContact O-CA 3.3Å; V158-G166 WeakPolarHBondContact O-CA 3.36Å; V158-R167 PolarHBondContact N-O 3.31Å; V158-R167 PolarHBondContact O-N 2.93Å; V158-E169 HydrophobicContact CG2-CG 4.39Å
159	G	80.4	Confident	77.7	Confident	11 Å²	11	43.6 Å²	43.6	11%	0.113	25%	0.25	C	C	.	.	S	Bend	trans	98.4	-23.4	166	0	0	0	0	0	116.4
160	S	81.4	Confident	79.6	Confident	17 Å²	17	33.8 Å²	33.8	12%	0.119	20%	0.204	C	C	.	.	S	Bend	trans	-81.5	168	166.4	-164.8	0	0	0	0	111.6	E162 E165	S160-E162 PolarHBondContact OG-N 2.9Å; S160-E165 WeakPolarHBondContact CB-OE1 3.31Å; S160-E165 PolarHBondContact OG-OE1 3.4Å
161	E	67.7	Low	81.2	Confident	103 Å²	103	32 Å²	32	48%	0.481	18%	0.177	S	C	.	.	S	Bend	trans	-89.7	-15.2	170.3	-55.4	-161.4	132.4	0	0	112.6	R116 R126	R116-E161 IonicContact NH2-OE1 2.97Å; R116-E161 PolarHBondContact NH2-OE1 2.95Å; R126-E161 IonicContact CZ-OE1 3.93Å; R126-E161 IonicContact CZ-OE2 3.43Å; R126-E161 IonicContact NH1-OE1 3.8Å; R126-E161 PolarHBondContact NH1-OE1 3.05Å; R126-E161 IonicContact NH1-OE2 3.52Å; R126-E161 PolarHBondContact NH1-OE2 2.66Å
162	E	69.8	Low	82.8	Confident	100 Å²	100	29.6 Å²	29.6	47%	0.467	15%	0.153	S	C	.	.	S	Bend	trans	-96	146.6	176.2	-66.1	-63.2	158.5	0	0	111.3	R78 S160 F164 E165	R78-E162 VanDerWaalsContact NH1-C 3.27Å; R78-E162 PolarHBondContact NH1-O 3.44Å; R78-E162 PolarHBondContact NH2-O 3.26Å; S160-E162 PolarHBondContact OG-N 2.9Å; E162-F164 HydrophobicContact CB-CD1 4.28Å; E162-F164 HydrophobicContact CB-CE1 3.76Å; E162-F164 HydrophobicContact CB-CE2 4.29Å; E162-F164 HydrophobicContact CB-CZ 3.76Å; E162-F164 HydrophobicContact CG-CE1 4.07Å; E162-F164 HydrophobicContact CG-CZ 3.86Å; E162-F164 WeakPolarHBondContact OE2-CE1 3.32Å; E162-E165 HydrophobicContact CB-CG 3.85Å
163	D	69.4	Low	83.7	Confident	72 Å²	72	32.4 Å²	32.4	39%	0.385	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-24.1	-174.1	-74.2	-27.4	0	0	0	114.3	R78 E165 Y198	R78-D163 IonicContact CZ-OD1 2.84Å; R78-D163 IonicContact NE-OD1 3.97Å; R78-D163 IonicContact NH1-OD1 2.84Å; R78-D163 PolarHBondContact NH1-OD1 3.4Å; D163-E165 VanDerWaalsContact C-N 3.32Å; D163-E165 PolarHBondContact O-N 2.81Å; D163-Y198 PolarHBondContact O-OH 3.05Å; D163-Y198 VanDerWaalsContact O-OH 3.11Å
164	F	74	Confident	84	Confident	23 Å²	23	34.2 Å²	34.2	10%	0.101	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	9.5	-178.8	56.8	-95	0	0	0	113.8	E162 Y198 C254 P256 Y257	E162-F164 HydrophobicContact CB-CD1 4.28Å; E162-F164 HydrophobicContact CB-CE1 3.76Å; E162-F164 HydrophobicContact CB-CE2 4.29Å; E162-F164 HydrophobicContact CB-CZ 3.76Å; E162-F164 HydrophobicContact CG-CE1 4.07Å; E162-F164 HydrophobicContact CG-CZ 3.86Å; E162-F164 WeakPolarHBondContact OE2-CE1 3.32Å; F164-Y198 HydrophobicContact CB-CD1 4.05Å; F164-Y198 HydrophobicContact CB-CD2 4.48Å; F164-Y198 HydrophobicContact CB-CE1 3.94Å; F164-Y198 HydrophobicContact CB-CE2 4.38Å; F164-Y198 HydrophobicContact CB-CG 4.34Å; F164-C254 HydrophobicContact CB-CB 4.31Å; F164-C254 WeakPolarHBondContact O-CB 3.3Å; F164-C254 PolarHBondContact O-N 2.93Å; F164-P256 HydrophobicContact CB-CG 4.3Å; F164-P256 HydrophobicContact CD1-CG 4.01Å; F164-P256 HydrophobicContact CD2-CG 4.45Å; F164-P256 HydrophobicContact CG-CG 3.98Å; F164-Y257 HydrophobicContact CE1-CE2 4.4Å; F164-Y257 VanDerWaalsContact CE1-OH 3.32Å; F164-Y257 WeakPolarHBondContact CE1-OH 3.2Å; F164-Y257 HydrophobicContact CE2-CE2 4.01Å; F164-Y257 AromaticContact CZ-CE2 3.73Å; F164-Y257 HydrophobicContact CZ-CE2 3.73Å; F164-Y257 AromaticContact CZ-CZ 3.83Å; F164-Y257 VanDerWaalsContact CZ-OH 3.23Å; F164-Y257 WeakPolarHBondContact CZ-OH 3.12Å
165	E	86.3	Confident	84.1	Confident	42 Å²	42	37.1 Å²	37.1	20%	0.196	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.1	179.6	55.7	163.6	-126.1	0	0	113.9	R78 S160 E162 D163 F210 V252 S253	R78-E165 PolarHBondContact NH2-O 2.92Å; S160-E165 WeakPolarHBondContact CB-OE1 3.31Å; S160-E165 PolarHBondContact OG-OE1 3.4Å; E162-E165 HydrophobicContact CB-CG 3.85Å; D163-E165 VanDerWaalsContact C-N 3.32Å; D163-E165 PolarHBondContact O-N 2.81Å; E165-F210 HydrophobicContact CB-CE1 4.33Å; E165-F210 HydrophobicContact CB-CZ 4.18Å; E165-F210 HydrophobicContact CG-CE1 4.43Å; E165-V252 VanDerWaalsContact CA-O 3.31Å; E165-V252 WeakPolarHBondContact CA-O 3.36Å; E165-V252 WeakPolarHBondContact CB-O 3.06Å; E165-S253 WeakPolarHBondContact OE2-CB 3.5Å; E165-S253 PolarHBondContact OE2-OG 3.38Å
166	G	90.4	Very high	84	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-179.9	-179.6	0	0	0	0	0	113.9	V158 F210 G251 V252	V158-G166 CarbonylContact O-C 3.5Å; V158-G166 VanDerWaalsContact O-CA 3.3Å; V158-G166 WeakPolarHBondContact O-CA 3.36Å; G166-F210 WeakPolarHBondContact O-CD2 3.42Å; G166-G251 CarbonylContact O-C 3.58Å; G166-G251 VanDerWaalsContact O-CA 3.24Å; G166-G251 WeakPolarHBondContact O-CA 3.46Å; G166-V252 PolarHBondContact N-O 3.31Å; G166-V252 PolarHBondContact O-N 3.23Å
167	R	94.6	Very high	84.3	Confident	6 Å²	6	35.4 Å²	35.4	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.8	165.4	178.9	179.8	61.3	-104.1	0.5	108.9	L157 V158 E169 F210 G211 Q212 D249 A250	L157-R167 WeakPolarHBondContact CA-O 3.23Å; V158-R167 PolarHBondContact N-O 3.31Å; V158-R167 PolarHBondContact O-N 2.93Å; R167-E169 IonicContact CZ-OE1 3.62Å; R167-E169 VanDerWaalsContact CZ-OE1 3.23Å; R167-E169 IonicContact NE-OE1 2.76Å; R167-E169 PolarHBondContact NE-OE1 3.39Å; R167-E169 IonicContact NH2-OE1 2.72Å; R167-E169 PolarHBondContact NH2-OE1 3.05Å; R167-F210 HydrophobicContact CB-CB 4.29Å; R167-G211 PolarHBondContact NH1-O 3.37Å; R167-Q212 PolarHBondContact NH1-O 3.24Å; R167-D249 HydrophobicContact CG-CB 4.24Å; R167-A250 WeakPolarHBondContact CA-O 3.49Å
168	V	95.6	Very high	84.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.6	178.2	179.4	0	0	0	0	109.6	L155 L157 V170 V179 W184 V192 L231 A250 V252	L155-V168 HydrophobicContact CD1-CG1 4.07Å; L155-V168 HydrophobicContact CD2-CG1 4.25Å; L155-V168 HydrophobicContact CG-CG1 4.22Å; L157-V168 HydrophobicContact CD2-CG2 4Å; V168-V170 HydrophobicContact CG1-CG2 4.4Å; V168-V179 HydrophobicContact CB-CG2 4.38Å; V168-V179 HydrophobicContact CG1-CG2 3.83Å; V168-V179 PolarHBondContact O-N 2.91Å; V168-W184 HydrophobicContact CG2-CH2 4.37Å; V168-W184 HydrophobicContact CG2-CZ2 3.92Å; V168-V192 HydrophobicContact CG1-CG2 4.23Å; V168-V192 HydrophobicContact CG2-CG1 4.2Å; V168-V192 HydrophobicContact CG2-CG2 4.37Å; V168-L231 HydrophobicContact CG1-CD2 4.39Å; V168-A250 PolarHBondContact N-O 2.96Å; V168-V252 HydrophobicContact CG2-CB 4.46Å; V168-V252 HydrophobicContact CG2-CG1 3.79Å; V168-V252 HydrophobicContact CG2-CG2 4.04Å
169	E	93.6	Very high	85	Confident	12 Å²	12	35 Å²	35	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.5	171.7	-67.7	178.9	-173.2	0	0	110.7	L155 R156 V158 R167 W176 G177	L155-E169 CarbonylContact C-O 3.53Å; L155-E169 WeakPolarHBondContact CA-O 3.36Å; R156-E169 HydrophobicContact CG-CB 3.92Å; R156-E169 IonicContact CZ-OE2 2.71Å; R156-E169 PolarHBondContact N-O 2.87Å; R156-E169 IonicContact NE-OE2 3.28Å; R156-E169 PolarHBondContact NE-OE2 2.8Å; R156-E169 IonicContact NH2-OE2 2.82Å; R156-E169 PolarHBondContact NH2-OE2 2.91Å; R156-E169 PolarHBondContact O-N 2.95Å; V158-E169 HydrophobicContact CG2-CG 4.39Å; R167-E169 IonicContact CZ-OE1 3.62Å; R167-E169 VanDerWaalsContact CZ-OE1 3.23Å; R167-E169 IonicContact NE-OE1 2.76Å; R167-E169 PolarHBondContact NE-OE1 3.39Å; R167-E169 IonicContact NH2-OE1 2.72Å; R167-E169 PolarHBondContact NH2-OE1 3.05Å; E169-W176 HydrophobicContact CB-CE3 4.1Å; E169-W176 WeakPolarHBondContact O-CZ3 3.32Å; E169-G177 CarbonylContact C-O 3.49Å; E169-G177 VanDerWaalsContact CA-O 3.23Å; E169-G177 WeakPolarHBondContact CA-O 3.49Å
170	V	92.1	Very high	85.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	-176.7	-177.6	0	0	0	0	109.4	P153 L155 V168 W176 G177 V179 L218 L219 L231 W239	P153-V170 HydrophobicContact CB-CG1 3.77Å; P153-V170 HydrophobicContact CG-CG1 4.04Å; L155-V170 HydrophobicContact CD1-CG2 4.08Å; L155-V170 HydrophobicContact CG-CG2 4.26Å; V168-V170 HydrophobicContact CG1-CG2 4.4Å; V170-W176 VanDerWaalsContact C-CE3 3.4Å; V170-W176 WeakPolarHBondContact O-CA 3.44Å; V170-G177 PolarHBondContact N-O 2.85Å; V170-G177 PolarHBondContact O-N 3Å; V170-G177 VanDerWaalsContact O-N 3.07Å; V170-V179 HydrophobicContact CG2-CG2 3.85Å; V170-L218 VanDerWaalsContact O-CD1 3.25Å; V170-L218 WeakPolarHBondContact O-CD1 3.38Å; V170-L219 HydrophobicContact CG2-CD1 4.25Å; V170-L231 HydrophobicContact CG2-CD2 4.1Å; V170-W239 HydrophobicContact CG1-CH2 4.26Å; V170-W239 HydrophobicContact CG1-CZ3 4.27Å
171	F	86.3	Confident	86.4	Confident	33 Å²	33	34.9 Å²	34.9	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.6	178.2	-170.3	-101.3	0	0	0	111	I92 P147 P154 G174 R175 W176	I92-F171 HydrophobicContact CD1-CB 4.37Å; I92-F171 HydrophobicContact CD1-CD1 3.83Å; I92-F171 HydrophobicContact CD1-CD2 3.75Å; I92-F171 HydrophobicContact CD1-CE1 3.92Å; I92-F171 HydrophobicContact CD1-CE2 3.84Å; I92-F171 HydrophobicContact CD1-CG 3.73Å; I92-F171 HydrophobicContact CD1-CZ 3.91Å; I92-F171 HydrophobicContact CG1-CD2 4.16Å; I92-F171 HydrophobicContact CG1-CE2 4.08Å; I92-F171 HydrophobicContact CG1-CZ 4.45Å; P147-F171 HydrophobicContact CB-CE1 4.47Å; P147-F171 HydrophobicContact CG-CE1 4.14Å; P147-F171 HydrophobicContact CG-CZ 4.45Å; P154-F171 HydrophobicContact CB-CB 3.92Å; P154-F171 HydrophobicContact CG-CB 4.13Å; P154-F171 HydrophobicContact CG-CD1 4.24Å; P154-F171 PolarHBondContact O-N 3.26Å; F171-G174 VanDerWaalsContact CE2-C 3.49Å; F171-R175 WeakPolarHBondContact CA-O 3.41Å; F171-R175 VanDerWaalsContact CD2-C 3.45Å; F171-R175 WeakPolarHBondContact CD2-O 3.49Å; F171-W176 HydrophobicContact CB-CD2 4.02Å; F171-W176 HydrophobicContact CB-CE3 3.8Å; F171-W176 HydrophobicContact CB-CH2 4.07Å; F171-W176 HydrophobicContact CB-CZ2 4.3Å; F171-W176 HydrophobicContact CB-CZ3 3.8Å; F171-W176 AromaticContact CD2-CD1 3.89Å; F171-W176 AromaticContact CD2-CD2 3.88Å; F171-W176 HydrophobicContact CD2-CD2 3.88Å; F171-W176 AromaticContact CD2-CE2 3.88Å; F171-W176 AromaticContact CD2-CG 3.93Å; F171-W176 HydrophobicContact CD2-CG 3.93Å; F171-W176 AromaticContact CD2-NE1 3.86Å; F171-W176 HydrophobicContact CG-CD2 4.45Å
172	H	85.9	Confident	87.7	Confident	58 Å²	58	32.8 Å²	32.8	27%	0.269	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.4	178.9	-167.9	90.4	0	0	0	111	G174 R175 L218 W239	H172-G174 PolarHBondContact O-N 3.42Å; H172-R175 PolarHBondContact N-O 3.37Å; H172-R175 PolarHBondContact O-N 2.81Å; H172-L218 HydrophobicContact CB-CD1 4.02Å; H172-W239 HydrophobicContact CB-CE3 3.81Å; H172-W239 HydrophobicContact CB-CH2 4.23Å; H172-W239 HydrophobicContact CB-CZ3 3.6Å; H172-W239 AromaticContact CE1-CD1 3.9Å; H172-W239 AromaticContact CE1-CD2 3.46Å; H172-W239 VanDerWaalsContact CE1-CD2 3.46Å; H172-W239 AromaticContact CE1-CE2 3.37Å; H172-W239 AromaticContact CE1-CE3 3.95Å; H172-W239 AromaticContact CE1-CG 3.8Å; H172-W239 AromaticContact CE1-CZ2 3.8Å; H172-W239 AromaticContact CE1-NE1 3.66Å; H172-W239 AromaticContact CG-CD2 3.8Å; H172-W239 AromaticContact CG-CE3 3.47Å; H172-W239 VanDerWaalsContact CG-CE3 3.47Å; H172-W239 AromaticContact CG-CZ3 3.61Å; H172-W239 AromaticContact ND1-CD2 3.37Å; H172-W239 AromaticContact ND1-CE2 3.33Å; H172-W239 VanDerWaalsContact ND1-CE2 3.33Å; H172-W239 AromaticContact ND1-CE3 3.41Å; H172-W239 AromaticContact ND1-CH2 3.39Å; H172-W239 WeakPolarHBondContact ND1-CH2 3.28Å; H172-W239 AromaticContact ND1-CZ2 3.35Å; H172-W239 VanDerWaalsContact ND1-CZ2 3.35Å; H172-W239 WeakPolarHBondContact ND1-CZ2 3.4Å; H172-W239 AromaticContact ND1-CZ3 3.42Å; H172-W239 WeakPolarHBondContact ND1-CZ3 3.38Å; H172-W239 AromaticContact NE2-CD2 3.95Å; H172-W239 AromaticContact NE2-CG 3.98Å
173	A	83	Confident	88.7	Confident	81 Å²	81	32.9 Å²	32.9	67%	0.669	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	25.7	177	0	0	0	0	0	116.2
174	G	78.1	Confident	89.9	Confident	53 Å²	53	30.6 Å²	30.6	55%	0.546	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	10.2	-179.7	0	0	0	0	0	115.7	F171 H172	F171-G174 VanDerWaalsContact CE2-C 3.49Å; H172-G174 PolarHBondContact O-N 3.42Å
175	R	83.1	Confident	90.4	Very high	90 Å²	90	32.4 Å²	32.4	34%	0.34	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.5	178.4	71.1	-156.3	-145.9	-124.1	5.5	111.9	F171 H172 P216 E240	F171-R175 WeakPolarHBondContact CA-O 3.41Å; F171-R175 VanDerWaalsContact CD2-C 3.45Å; F171-R175 WeakPolarHBondContact CD2-O 3.49Å; H172-R175 PolarHBondContact N-O 3.37Å; H172-R175 PolarHBondContact O-N 2.81Å; R175-P216 HydrophobicContact CG-CG 4.36Å; R175-E240 IonicContact CZ-OE1 2.77Å; R175-E240 VanDerWaalsContact CZ-OE1 3.27Å; R175-E240 IonicContact CZ-OE2 3.42Å; R175-E240 IonicContact NH1-OE1 2.67Å; R175-E240 PolarHBondContact NH1-OE1 2.91Å; R175-E240 IonicContact NH1-OE2 3.38Å; R175-E240 PolarHBondContact NH1-OE2 2.86Å; R175-E240 IonicContact NH2-OE1 3.77Å; R175-E240 PolarHBondContact NH2-OE1 2.97Å; R175-E240 VanDerWaalsContact NH2-OE1 3.16Å; R175-E240 IonicContact NH2-OE2 3.94Å; R175-E240 PolarHBondContact NH2-OE2 2.78Å
176	W	88.1	Confident	90.2	Very high	27 Å²	27	34.8 Å²	34.8	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	157.3	166.9	-69.8	102.9	0	0	0	111	D91 I92 P154 R156 E169 V170 F171 P216	D91-W176 PolarHBondContact O-NE1 3.01Å; I92-W176 HydrophobicContact CD1-CZ2 3.97Å; I92-W176 HydrophobicContact CG1-CZ2 3.74Å; P154-W176 HydrophobicContact CB-CH2 4.07Å; R156-W176 HydrophobicContact CB-CH2 3.9Å; R156-W176 HydrophobicContact CB-CZ3 4.12Å; R156-W176 HydrophobicContact CG-CD2 4.41Å; R156-W176 HydrophobicContact CG-CE3 3.93Å; R156-W176 HydrophobicContact CG-CH2 3.74Å; R156-W176 HydrophobicContact CG-CZ2 4.21Å; R156-W176 HydrophobicContact CG-CZ3 3.6Å; R156-W176 VanDerWaalsContact NH1-NE1 3.15Å; E169-W176 HydrophobicContact CB-CE3 4.1Å; E169-W176 WeakPolarHBondContact O-CZ3 3.32Å; V170-W176 VanDerWaalsContact C-CE3 3.4Å; V170-W176 WeakPolarHBondContact O-CA 3.44Å; F171-W176 HydrophobicContact CB-CD2 4.02Å; F171-W176 HydrophobicContact CB-CE3 3.8Å; F171-W176 HydrophobicContact CB-CH2 4.07Å; F171-W176 HydrophobicContact CB-CZ2 4.3Å; F171-W176 HydrophobicContact CB-CZ3 3.8Å; F171-W176 AromaticContact CD2-CD1 3.89Å; F171-W176 AromaticContact CD2-CD2 3.88Å; F171-W176 HydrophobicContact CD2-CD2 3.88Å; F171-W176 AromaticContact CD2-CE2 3.88Å; F171-W176 AromaticContact CD2-CG 3.93Å; F171-W176 HydrophobicContact CD2-CG 3.93Å; F171-W176 AromaticContact CD2-NE1 3.86Å; F171-W176 HydrophobicContact CG-CD2 4.45Å; W176-P216 VanDerWaalsContact O-CD 3.25Å; W176-P216 WeakPolarHBondContact O-CD 3.41Å; W176-P216 WeakPolarHBondContact O-CG 3.45Å
177	G	92.3	Very high	89.7	Confident	5 Å²	5	41.2 Å²	41.2	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	164.9	168.2	0	0	0	0	0	111.6	E169 V170 P216	E169-G177 CarbonylContact C-O 3.49Å; E169-G177 VanDerWaalsContact CA-O 3.23Å; E169-G177 WeakPolarHBondContact CA-O 3.49Å; V170-G177 PolarHBondContact N-O 2.85Å; V170-G177 PolarHBondContact O-N 3Å; V170-G177 VanDerWaalsContact O-N 3.07Å; G177-P216 CarbonylContact C-O 3.57Å; G177-P216 WeakPolarHBondContact CA-O 3.42Å
178	S	95.3	Very high	89.5	Confident	2 Å²	2	41 Å²	41	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	171.3	-177.5	52.1	0	0	0	0	112.9	P216 L218 D249	S178-P216 PolarHBondContact N-O 2.87Å; S178-L218 PolarHBondContact O-N 2.88Å; S178-D249 WeakPolarHBondContact CB-OD1 3.41Å; S178-D249 PolarHBondContact OG-OD1 2.66Å
179	V	97.3	Very high	89	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.6	170.5	-175.7	0	0	0	0	107.7	V168 V170 W184 L219 M222 L231 A250	V168-V179 HydrophobicContact CB-CG2 4.38Å; V168-V179 HydrophobicContact CG1-CG2 3.83Å; V168-V179 PolarHBondContact O-N 2.91Å; V170-V179 HydrophobicContact CG2-CG2 3.85Å; V179-W184 HydrophobicContact CG1-CE3 4.06Å; V179-W184 HydrophobicContact CG1-CH2 4.48Å; V179-W184 HydrophobicContact CG1-CZ3 3.78Å; V179-L219 HydrophobicContact CG1-CB 4.01Å; V179-L219 HydrophobicContact CG2-CB 4.23Å; V179-L219 HydrophobicContact CG2-CD1 4.42Å; V179-M222 HydrophobicContact CG1-CG 3.86Å; V179-M222 HydrophobicContact CG1-SD 4.35Å; V179-L231 HydrophobicContact CG2-CD2 4.2Å; V179-A250 HydrophobicContact CB-CB 4.3Å; V179-A250 HydrophobicContact CG1-CB 4.49Å; V179-A250 WeakPolarHBondContact O-CB 3.27Å; V179-A250 PolarHBondContact O-N 3.1Å
180	C	96.5	Very high	88.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-79.2	148	173.7	-176.5	0	0	0	0	112	D182 I217 L219 D220 C244 E248	C180-D182 VanDerWaalsContact C-N 3.29Å; C180-D182 PolarHBondContact O-N 3.04Å; C180-D182 PolarHBondContact SG-N 2.88Å; C180-I217 HydrophobicContact CB-CG2 4.08Å; C180-L219 PolarHBondContact N-O 3.12Å; C180-D220 HydrophobicContact CB-CB 4.28Å; C180-C244 HydrophobicContact CB-CB 3.81Å; C180-C244 WeakPolarHBondContact CB-SG 3.36Å; C180-C244 WeakPolarHBondContact SG-CB 3.41Å; C180-C244 CovalentContact SG-SG 2.02Å; C180-C244 PolarHBondContact SG-SG 2.83Å; C180-E248 CarbonylContact C-O 3.55Å; C180-E248 WeakPolarHBondContact CA-O 3.44Å
181	D	95.6	Very high	87.7	Confident	23 Å²	23	43.3 Å²	43.3	12%	0.123	23%	0.227	C	C	.	.			trans	-79.8	-1.6	178.1	69.9	25.5	0	0	0	115	Q183 W184 S206 W207 E248 A250	D181-Q183 PolarHBondContact O-N 2.94Å; D181-W184 HydrophobicContact CB-CB 4.29Å; D181-W184 VanDerWaalsContact O-CB 3.27Å; D181-W184 WeakPolarHBondContact O-CB 3.43Å; D181-W184 PolarHBondContact O-N 3.42Å; D181-S206 WeakPolarHBondContact OD2-CA 3.33Å; D181-S206 WeakPolarHBondContact OD2-CB 3.42Å; D181-W207 PolarHBondContact OD2-N 2.94Å; D181-E248 VanDerWaalsContact CG-O 3.31Å; D181-E248 PolarHBondContact N-O 2.88Å; D181-A250 HydrophobicContact CB-CB 4.15Å
182	D	94.1	Very high	87.8	Confident	60 Å²	60	41.8 Å²	41.8	32%	0.321	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	106.1	-179.6	-144.9	-14.7	0	0	0	110.3	C180 A221 N243	C180-D182 VanDerWaalsContact C-N 3.29Å; C180-D182 PolarHBondContact O-N 3.04Å; C180-D182 PolarHBondContact SG-N 2.88Å; D182-A221 VanDerWaalsContact O-CA 3.28Å; D182-A221 WeakPolarHBondContact O-CA 3.23Å; D182-A221 PolarHBondContact O-N 3.22Å; D182-N243 PolarHBondContact OD2-ND2 2.9Å; D182-N243 VanDerWaalsContact OD2-ND2 3.12Å
183	Q	91.3	Very high	87.4	Confident	101 Å²	101	39.1 Å²	39.1	47%	0.472	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	9.9	-170.5	-59.6	146.7	108.4	0	0	117	D181 D185	D181-Q183 PolarHBondContact O-N 2.94Å; Q183-D185 PolarHBondContact O-N 3.08Å
184	W	95.1	Very high	86.9	Confident	24 Å²	24	39.8 Å²	39.8	9%	0.091	19%	0.194	C	C	.	.			trans	-63.7	116.2	176	-171.6	-111.6	0	0	0	112.4	V168 V179 D181 D188 V192 M222 L231 A250 G251 V252	V168-W184 HydrophobicContact CG2-CH2 4.37Å; V168-W184 HydrophobicContact CG2-CZ2 3.92Å; V179-W184 HydrophobicContact CG1-CE3 4.06Å; V179-W184 HydrophobicContact CG1-CH2 4.48Å; V179-W184 HydrophobicContact CG1-CZ3 3.78Å; D181-W184 HydrophobicContact CB-CB 4.29Å; D181-W184 VanDerWaalsContact O-CB 3.27Å; D181-W184 WeakPolarHBondContact O-CB 3.43Å; D181-W184 PolarHBondContact O-N 3.42Å; W184-D188 HydrophobicContact CD2-CB 3.95Å; W184-D188 HydrophobicContact CE3-CB 3.53Å; W184-D188 HydrophobicContact CH2-CB 3.89Å; W184-D188 HydrophobicContact CZ2-CB 4.27Å; W184-D188 HydrophobicContact CZ3-CB 3.51Å; W184-V192 HydrophobicContact CH2-CG2 3.67Å; W184-V192 HydrophobicContact CZ2-CG2 4.1Å; W184-M222 HydrophobicContact CE3-CB 3.85Å; W184-M222 HydrophobicContact CE3-CG 3.77Å; W184-M222 HydrophobicContact CZ3-CB 4.13Å; W184-M222 HydrophobicContact CZ3-CG 3.81Å; W184-L231 HydrophobicContact CH2-CD1 4.13Å; W184-L231 HydrophobicContact CH2-CD2 4.19Å; W184-L231 HydrophobicContact CZ3-CD1 4.13Å; W184-L231 HydrophobicContact CZ3-CD2 4.34Å; W184-A250 HydrophobicContact CD2-CB 3.86Å; W184-A250 HydrophobicContact CE3-CB 4.43Å; W184-A250 HydrophobicContact CG-CB 3.94Å; W184-A250 HydrophobicContact CZ2-CB 4.44Å; W184-G251 PolarHBondContact NE1-O 2.96Å; W184-V252 HydrophobicContact CZ2-CG1 3.7Å
185	D	84.4	Confident	86.9	Confident	61 Å²	61	39.2 Å²	39.2	33%	0.326	18%	0.177	S	C	.	.			trans	-122.9	170.5	178.6	95.2	22.9	0	0	0	113.8	Q183 R187 D188 A189	Q183-D185 PolarHBondContact O-N 3.08Å; D185-R187 PolarHBondContact O-N 2.72Å; D185-R187 WeakPolarHBondContact OD1-CA 3.42Å; D185-R187 WeakPolarHBondContact OD1-CB 3.17Å; D185-R187 VanDerWaalsContact OD1-CG 3.24Å; D185-R187 WeakPolarHBondContact OD1-CG 3.47Å; D185-R187 PolarHBondContact OD1-N 2.95Å; D185-R187 IonicContact OD2-CZ 3.09Å; D185-R187 IonicContact OD2-NH1 2.61Å; D185-R187 PolarHBondContact OD2-NH1 3.31Å; D185-D188 PolarHBondContact N-OD2 3.08Å; D185-D188 WeakPolarHBondContact O-CB 3.47Å; D185-D188 PolarHBondContact O-N 2.96Å; D185-A189 PolarHBondContact O-N 3.48Å
186	D	81.9	Confident	86.5	Confident	92 Å²	92	37.7 Å²	37.7	49%	0.492	18%	0.175	S	C	.	.	H	α-helix	trans	-58.5	-17	-175.8	-62.3	-44.9	0	0	0	113.9	E190 K203 A204	D186-E190 WeakPolarHBondContact O-CB 3.19Å; D186-E190 PolarHBondContact O-N 3.01Å; D186-K203 WeakPolarHBondContact OD1-CA 3.47Å; D186-A204 PolarHBondContact OD1-N 2.9Å
187	R	79.8	Confident	85.2	Confident	136 Å²	136	39.6 Å²	39.6	51%	0.513	20%	0.203	S	C	.	.	H	α-helix	trans	-77.8	-33.5	172.8	-57.1	-179.3	-172.2	109.4	0.9	112.7	D185 A189 E190 V191 C224	D185-R187 PolarHBondContact O-N 2.72Å; D185-R187 WeakPolarHBondContact OD1-CA 3.42Å; D185-R187 WeakPolarHBondContact OD1-CB 3.17Å; D185-R187 VanDerWaalsContact OD1-CG 3.24Å; D185-R187 WeakPolarHBondContact OD1-CG 3.47Å; D185-R187 PolarHBondContact OD1-N 2.95Å; D185-R187 IonicContact OD2-CZ 3.09Å; D185-R187 IonicContact OD2-NH1 2.61Å; D185-R187 PolarHBondContact OD2-NH1 3.31Å; R187-A189 VanDerWaalsContact C-N 3.29Å; R187-E190 PolarHBondContact O-N 3.28Å; R187-V191 WeakPolarHBondContact O-CG2 3.1Å; R187-V191 PolarHBondContact O-N 2.71Å; R187-V191 VanDerWaalsContact O-N 3.15Å; R187-C224 HydrophobicContact CB-CB 4.44Å; R187-C224 WeakPolarHBondContact CB-O 3.5Å; R187-C224 WeakPolarHBondContact CD-O 3.28Å
188	D	89.6	Confident	83.8	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-41.2	170.3	-54	-62.1	0	0	0	109.1	W184 D185 V191 V192 K223 C224	W184-D188 HydrophobicContact CD2-CB 3.95Å; W184-D188 HydrophobicContact CE3-CB 3.53Å; W184-D188 HydrophobicContact CH2-CB 3.89Å; W184-D188 HydrophobicContact CZ2-CB 4.27Å; W184-D188 HydrophobicContact CZ3-CB 3.51Å; D185-D188 PolarHBondContact N-OD2 3.08Å; D185-D188 WeakPolarHBondContact O-CB 3.47Å; D185-D188 PolarHBondContact O-N 2.96Å; D188-V191 PolarHBondContact O-N 2.67Å; D188-V192 WeakPolarHBondContact O-CG2 3.09Å; D188-V192 PolarHBondContact O-N 3.31Å; D188-K223 PolarHBondContact OD1-N 3.41Å; D188-C224 HydrophobicContact CB-CB 4.44Å; D188-C224 WeakPolarHBondContact OD1-CB 3.41Å; D188-C224 PolarHBondContact OD1-N 2.79Å; D188-C224 PolarHBondContact OD1-SG 2.86Å
189	A	86.5	Confident	81.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-45.5	172.2	0	0	0	0	0	112.6	D185 R187 V191 V192 C193 A202 A204 V252	D185-A189 PolarHBondContact O-N 3.48Å; R187-A189 VanDerWaalsContact C-N 3.29Å; A189-V191 VanDerWaalsContact C-N 3.3Å; A189-V191 PolarHBondContact O-N 3.11Å; A189-V192 WeakPolarHBondContact O-CB 3.46Å; A189-V192 PolarHBondContact O-N 3.02Å; A189-C193 WeakPolarHBondContact O-CB 3.29Å; A189-C193 PolarHBondContact O-N 3.48Å; A189-C193 PolarHBondContact O-SG 3.41Å; A189-A202 HydrophobicContact CB-CB 3.89Å; A189-A204 HydrophobicContact CB-CB 4.23Å; A189-V252 HydrophobicContact CB-CB 4.29Å; A189-V252 HydrophobicContact CB-CG1 3.61Å
190	E	75.8	Confident	79.9	Confident	62 Å²	62	47 Å²	47	29%	0.29	26%	0.257	S	S	.	.	H	α-helix	trans	-57.7	-41.1	176.1	177.2	59.9	-155.2	0	0	112	D186 R187 R194 A202	D186-E190 WeakPolarHBondContact O-CB 3.19Å; D186-E190 PolarHBondContact O-N 3.01Å; R187-E190 PolarHBondContact O-N 3.28Å; E190-R194 WeakPolarHBondContact O-CB 3.5Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-A202 HydrophobicContact CB-CB 4.12Å
191	V	82.6	Confident	78.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-46.3	175	170.7	0	0	0	0	111.4	R187 D188 A189 Q195 C224 E228 L231	R187-V191 WeakPolarHBondContact O-CG2 3.1Å; R187-V191 PolarHBondContact O-N 2.71Å; R187-V191 VanDerWaalsContact O-N 3.15Å; D188-V191 PolarHBondContact O-N 2.67Å; A189-V191 VanDerWaalsContact C-N 3.3Å; A189-V191 PolarHBondContact O-N 3.11Å; V191-Q195 WeakPolarHBondContact O-CB 3.47Å; V191-Q195 PolarHBondContact O-N 3.04Å; V191-C224 HydrophobicContact CB-CB 4.47Å; V191-C224 HydrophobicContact CG2-CB 3.8Å; V191-E228 HydrophobicContact CG1-CB 4.22Å; V191-E228 HydrophobicContact CG2-CB 3.93Å; V191-L231 HydrophobicContact CG1-CB 4.46Å; V191-L231 HydrophobicContact CG1-CD1 4.17Å
192	V	86.5	Confident	77.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-52.2	176	169.3	0	0	0	0	111.6	L155 L157 V168 W184 D188 A189 R194 Q195 L196 L231 V252	L155-V192 HydrophobicContact CD1-CG1 4.26Å; L155-V192 HydrophobicContact CD1-CG2 4.03Å; L155-V192 HydrophobicContact CD2-CG1 3.7Å; L157-V192 HydrophobicContact CD2-CG1 4.1Å; V168-V192 HydrophobicContact CG1-CG2 4.23Å; V168-V192 HydrophobicContact CG2-CG1 4.2Å; V168-V192 HydrophobicContact CG2-CG2 4.37Å; W184-V192 HydrophobicContact CH2-CG2 3.67Å; W184-V192 HydrophobicContact CZ2-CG2 4.1Å; D188-V192 WeakPolarHBondContact O-CG2 3.09Å; D188-V192 PolarHBondContact O-N 3.31Å; A189-V192 WeakPolarHBondContact O-CB 3.46Å; A189-V192 PolarHBondContact O-N 3.02Å; V192-R194 PolarHBondContact O-N 3.42Å; V192-Q195 PolarHBondContact O-N 3.28Å; V192-L196 HydrophobicContact CG1-CD1 3.91Å; V192-L196 WeakPolarHBondContact O-CG 3.35Å; V192-L196 PolarHBondContact O-N 3.25Å; V192-L231 HydrophobicContact CG2-CD1 3.87Å; V192-L231 HydrophobicContact CG2-CD2 4Å; V192-L231 HydrophobicContact CG2-CG 4.47Å; V192-V252 HydrophobicContact CB-CG1 4.32Å; V192-V252 HydrophobicContact CG1-CG1 4.28Å; V192-V252 HydrophobicContact CG1-CG2 3.9Å
193	C	78.3	Confident	76.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-44	-174.8	-65.4	0	0	0	0	111.5	A189 L196 G197 Y198 A202 C254	A189-C193 WeakPolarHBondContact O-CB 3.29Å; A189-C193 PolarHBondContact O-N 3.48Å; A189-C193 PolarHBondContact O-SG 3.41Å; C193-L196 PolarHBondContact O-N 2.84Å; C193-G197 PolarHBondContact O-N 2.84Å; C193-G197 VanDerWaalsContact O-N 3.09Å; C193-Y198 CarbonylContact C-O 3.6Å; C193-Y198 PolarHBondContact O-N 3.05Å; C193-A202 HydrophobicContact CB-CB 4.31Å; C193-C254 WeakPolarHBondContact CA-SG 3.17Å; C193-C254 HydrophobicContact CB-CB 3.53Å; C193-C254 WeakPolarHBondContact CB-SG 3.39Å; C193-C254 WeakPolarHBondContact SG-CA 3.45Å; C193-C254 WeakPolarHBondContact SG-CB 3.45Å; C193-C254 CovalentContact SG-SG 2.03Å; C193-C254 PolarHBondContact SG-SG 2.96Å
194	R	73.6	Confident	76.4	Confident	96 Å²	96	45.6 Å²	45.6	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-71.6	-30.5	177.7	-164.6	178.2	66.3	129.9	6.6	113.3	E190 V192 G197 N227 E228	E190-R194 WeakPolarHBondContact O-CB 3.5Å; E190-R194 PolarHBondContact O-N 3.46Å; V192-R194 PolarHBondContact O-N 3.42Å; R194-G197 PolarHBondContact O-N 2.88Å; R194-N227 PolarHBondContact NH2-O 3.33Å; R194-E228 PolarHBondContact NH2-O 2.79Å
195	Q	77.2	Confident	76.3	Confident	41 Å²	41	48.3 Å²	48.3	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-40.5	171.1	175.8	176.5	-14.8	0	0	111.4	P153 V191 V192 G197 F230	P153-Q195 PolarHBondContact O-NE2 3.18Å; V191-Q195 WeakPolarHBondContact O-CB 3.47Å; V191-Q195 PolarHBondContact O-N 3.04Å; V192-Q195 PolarHBondContact O-N 3.28Å; Q195-G197 PolarHBondContact O-N 2.05Å; Q195-F230 HydrophobicContact CG-CD1 4.05Å; Q195-F230 VanDerWaalsContact OE1-CA 3.31Å
196	L	74.4	Confident	76.6	Confident	58 Å²	58	48.3 Å²	48.3	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-71.9	-16.4	174.2	-68.8	168	0	0	0	113.3	L155 L157 V192 C193 Y198	L155-L196 HydrophobicContact CD2-CD1 3.78Å; L155-L196 HydrophobicContact CD2-CD2 3.87Å; L155-L196 HydrophobicContact CD2-CG 3.89Å; L157-L196 HydrophobicContact CD1-CD1 3.65Å; L157-L196 HydrophobicContact CD2-CD1 3.93Å; L157-L196 HydrophobicContact CG-CD1 3.56Å; V192-L196 HydrophobicContact CG1-CD1 3.91Å; V192-L196 WeakPolarHBondContact O-CG 3.35Å; V192-L196 PolarHBondContact O-N 3.25Å; C193-L196 PolarHBondContact O-N 2.84Å; L196-Y198 HydrophobicContact CB-CD2 3.66Å; L196-Y198 HydrophobicContact CB-CE2 3.78Å; L196-Y198 HydrophobicContact CD1-CD2 4.24Å; L196-Y198 HydrophobicContact CD1-CE2 4.12Å
197	G	61.3	Low	77	Confident	66 Å²	66	53.8 Å²	53.8	68%	0.68	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	8.1	-179.8	0	0	0	0	0	114.6	C193 R194 Q195	C193-G197 PolarHBondContact O-N 2.84Å; C193-G197 VanDerWaalsContact O-N 3.09Å; R194-G197 PolarHBondContact O-N 2.88Å; Q195-G197 PolarHBondContact O-N 2.05Å
198	Y	62.9	Low	77.5	Confident	76 Å²	76	47.9 Å²	47.9	30%	0.298	27%	0.266	S	S	.	.			trans	-75.8	162.1	164	-55.9	-64.6	0	0	0	110.3	D163 F164 C193 L196 C254	D163-Y198 PolarHBondContact O-OH 3.05Å; D163-Y198 VanDerWaalsContact O-OH 3.11Å; F164-Y198 HydrophobicContact CB-CD1 4.05Å; F164-Y198 HydrophobicContact CB-CD2 4.48Å; F164-Y198 HydrophobicContact CB-CE1 3.94Å; F164-Y198 HydrophobicContact CB-CE2 4.38Å; F164-Y198 HydrophobicContact CB-CG 4.34Å; C193-Y198 CarbonylContact C-O 3.6Å; C193-Y198 PolarHBondContact O-N 3.05Å; L196-Y198 HydrophobicContact CB-CD2 3.66Å; L196-Y198 HydrophobicContact CB-CE2 3.78Å; L196-Y198 HydrophobicContact CD1-CD2 4.24Å; L196-Y198 HydrophobicContact CD1-CE2 4.12Å; Y198-C254 HydrophobicContact CD2-CB 4.06Å; Y198-C254 HydrophobicContact CG-CB 4.09Å
199	G	53	Low	77.5	Confident	48 Å²	48	52.7 Å²	52.7	50%	0.495	29%	0.289	S	S	.	.			trans	-159.5	147.9	170.2	0	0	0	0	0	108.6	P256	G199-P256 WeakPolarHBondContact O-CA 3.46Å
200	G	57.3	Low	77.5	Confident	40 Å²	40	53.9 Å²	53.9	41%	0.412	29%	0.294	S	S	.	.	S	Bend	trans	157.4	-131.5	-167.7	0	0	0	0	0	109.8	S255	G200-S255 WeakPolarHBondContact CA-O 3.4Å
201	V	58.9	Low	78.1	Confident	67 Å²	67	52.6 Å²	52.6	41%	0.406	30%	0.297	S	S	.	.			trans	-112.9	106.9	168.3	-179.2	0	0	0	0	108.3	S255	V201-S255 PolarHBondContact N-O 3.22Å; V201-S255 WeakPolarHBondContact O-CB 3.46Å
202	A	77.1	Confident	78.6	Confident	11 Å²	11	57.6 Å²	57.6	9%	0.091	32%	0.32	C	S	.	.			trans	-73	138.6	172.3	0	0	0	0	0	110.9	A189 E190 C193	A189-A202 HydrophobicContact CB-CB 3.89Å; E190-A202 HydrophobicContact CB-CB 4.12Å; C193-A202 HydrophobicContact CB-CB 4.31Å
203	K	81	Confident	78.6	Confident	52 Å²	52	58.1 Å²	58.1	23%	0.226	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.5	-179.5	-170.8	167	-177	166.3	0	109.2	D186 W205 V252 S253 G281 D282	D186-K203 WeakPolarHBondContact OD1-CA 3.47Å; K203-W205 HydrophobicContact CD-CZ2 4.13Å; K203-W205 HydrophobicContact CG-CZ2 4.5Å; K203-V252 CarbonylContact O-C 3.52Å; K203-V252 WeakPolarHBondContact O-CA 3.5Å; K203-S253 PolarHBondContact N-O 3.19Å; K203-S253 PolarHBondContact O-N 2.87Å; K203-G281 PolarHBondContact NZ-O 3.2Å; K203-D282 VanDerWaalsContact NZ-CG 3.34Å; K203-D282 IonicContact NZ-OD1 3.01Å; K203-D282 PolarHBondContact NZ-OD1 2.93Å; K203-D282 IonicContact NZ-OD2 3.08Å; K203-D282 PolarHBondContact NZ-OD2 2.99Å
204	A	88.1	Confident	78.8	Confident	24 Å²	24	63.9 Å²	63.9	20%	0.198	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.8	176.9	0	0	0	0	0	111.2	D186 A189	D186-A204 PolarHBondContact OD1-N 2.9Å; A189-A204 HydrophobicContact CB-CB 4.23Å
205	W	91.1	Very high	79.4	Confident	81 Å²	81	61.5 Å²	61.5	31%	0.307	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.9	173.9	-66.5	93.8	0	0	0	110.6	K203 H209 F210 G251	K203-W205 HydrophobicContact CD-CZ2 4.13Å; K203-W205 HydrophobicContact CG-CZ2 4.5Å; W205-H209 HydrophobicContact CB-CB 3.98Å; W205-H209 AromaticContact CD2-ND1 3.91Å; W205-H209 HydrophobicContact CE3-CB 4.42Å; W205-H209 AromaticContact CE3-CD2 3.64Å; W205-H209 AromaticContact CE3-CE1 3.98Å; W205-H209 AromaticContact CE3-CG 3.78Å; W205-H209 AromaticContact CE3-ND1 3.99Å; W205-H209 AromaticContact CE3-NE2 3.8Å; W205-H209 AromaticContact CZ3-CD2 3.92Å; W205-H209 AromaticContact CZ3-NE2 3.72Å; W205-F210 HydrophobicContact CB-CE2 4.01Å; W205-F210 AromaticContact CD1-CE2 3.75Å; W205-F210 AromaticContact CD1-CZ 3.98Å; W205-F210 AromaticContact CG-CE2 3.91Å; W205-F210 HydrophobicContact CG-CE2 3.91Å; W205-F210 HydrophobicContact CG-CZ 4.35Å; W205-G251 PolarHBondContact N-O 2.91Å; W205-G251 PolarHBondContact O-N 3.2Å
206	S	91.4	Very high	80.2	Confident	61 Å²	61	61 Å²	61	43%	0.427	37%	0.372	S	S	.	.			trans	-126.9	-178.7	-177.1	56.6	0	0	0	0	110.4	D181 A208 H209	D181-S206 WeakPolarHBondContact OD2-CA 3.33Å; D181-S206 WeakPolarHBondContact OD2-CB 3.42Å; S206-A208 VanDerWaalsContact C-N 3.3Å; S206-A208 PolarHBondContact O-N 2.99Å; S206-H209 PolarHBondContact O-N 2.96Å
207	W	90.6	Very high	81.2	Confident	208 Å²	208	58.6 Å²	58.6	79%	0.788	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	38.5	175.4	-72.1	49.1	0	0	0	113.3	D181 H209 M247	D181-W207 PolarHBondContact OD2-N 2.94Å; W207-H209 PolarHBondContact O-N 2.95Å; W207-M247 CarbonylContact C-O 3.54Å; W207-M247 WeakPolarHBondContact CA-O 3.32Å
208	A	90	Very high	82.8	Confident	12 Å²	12	55.6 Å²	55.6	10%	0.099	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.2	-179.9	0	0	0	0	0	113.6	S206 F210 G211 Q212 H246 M247 D249	S206-A208 VanDerWaalsContact C-N 3.3Å; S206-A208 PolarHBondContact O-N 2.99Å; A208-F210 PolarHBondContact O-N 2.93Å; A208-G211 WeakPolarHBondContact O-CA 3.34Å; A208-G211 PolarHBondContact O-N 2.93Å; A208-Q212 HydrophobicContact CB-CG 3.99Å; A208-H246 WeakPolarHBondContact CB-O 3.5Å; A208-M247 PolarHBondContact N-O 2.8Å; A208-D249 WeakPolarHBondContact CA-O 3.47Å; A208-D249 HydrophobicContact CB-CB 4.3Å; A208-D249 PolarHBondContact N-O 3.02Å
209	H	88.9	Confident	84.3	Confident	102 Å²	102	52.1 Å²	52.1	47%	0.472	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-38.7	-175.2	-177.5	-102	0	0	0	114.5	W205 S206 W207 G211	W205-H209 HydrophobicContact CB-CB 3.98Å; W205-H209 AromaticContact CD2-ND1 3.91Å; W205-H209 HydrophobicContact CE3-CB 4.42Å; W205-H209 AromaticContact CE3-CD2 3.64Å; W205-H209 AromaticContact CE3-CE1 3.98Å; W205-H209 AromaticContact CE3-CG 3.78Å; W205-H209 AromaticContact CE3-ND1 3.99Å; W205-H209 AromaticContact CE3-NE2 3.8Å; W205-H209 AromaticContact CZ3-CD2 3.92Å; W205-H209 AromaticContact CZ3-NE2 3.72Å; S206-H209 PolarHBondContact O-N 2.96Å; W207-H209 PolarHBondContact O-N 2.95Å; H209-G211 VanDerWaalsContact C-N 3.35Å
210	F	87.8	Confident	86.3	Confident	25 Å²	25	50.2 Å²	50.2	11%	0.11	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	21.4	179.4	-57.8	-79.6	0	0	0	113.4	E165 G166 R167 W205 A208	E165-F210 HydrophobicContact CB-CE1 4.33Å; E165-F210 HydrophobicContact CB-CZ 4.18Å; E165-F210 HydrophobicContact CG-CE1 4.43Å; G166-F210 WeakPolarHBondContact O-CD2 3.42Å; R167-F210 HydrophobicContact CB-CB 4.29Å; W205-F210 HydrophobicContact CB-CE2 4.01Å; W205-F210 AromaticContact CD1-CE2 3.75Å; W205-F210 AromaticContact CD1-CZ 3.98Å; W205-F210 AromaticContact CG-CE2 3.91Å; W205-F210 HydrophobicContact CG-CE2 3.91Å; W205-F210 HydrophobicContact CG-CZ 4.35Å; A208-F210 PolarHBondContact O-N 2.93Å
211	G	89.1	Confident	88.1	Confident	34 Å²	34	48.9 Å²	48.9	35%	0.351	28%	0.278	S	S	.	.			trans	89.1	155.7	-174.5	0	0	0	0	0	113.4	R167 A208 H209	R167-G211 PolarHBondContact NH1-O 3.37Å; A208-G211 WeakPolarHBondContact O-CA 3.34Å; A208-G211 PolarHBondContact O-N 2.93Å; H209-G211 VanDerWaalsContact C-N 3.35Å
212	Q	91.8	Very high	89.8	Confident	105 Å²	105	45.7 Å²	45.7	49%	0.491	26%	0.259	S	S	.	.			trans	-70.8	147.9	177.9	-59.3	-170.7	-94.8	0	0	112.2	R167 A208 H246 M247	R167-Q212 PolarHBondContact NH1-O 3.24Å; A208-Q212 HydrophobicContact CB-CG 3.99Å; Q212-H246 HydrophobicContact CB-CB 4.09Å; Q212-H246 WeakPolarHBondContact CG-O 3.41Å; Q212-M247 HydrophobicContact CG-SD 4.29Å
213	G	87.7	Confident	90.4	Very high	12 Å²	12	50.2 Å²	50.2	12%	0.124	28%	0.276	C	S	.	.			trans	-74.2	179.5	168.9	0	0	0	0	0	113.6	H246 D249	G213-H246 PolarHBondContact O-CD2 2.85Å; G213-D249 WeakPolarHBondContact CA-OD2 3.5Å; G213-D249 PolarHBondContact N-OD2 3.15Å
214	S	81.4	Confident	90.6	Very high	123 Å²	123	48 Å²	48	86%	0.86	27%	0.267	S	S	*	.	S	Bend	trans	-141.5	26	-172.6	57.7	0	0	0	0	113.3
215	G	86.9	Confident	89.8	Confident	46 Å²	46	51 Å²	51	47%	0.474	28%	0.283	S	S	.	.	S	Bend	trans	-144.4	-149.7	-168.5	0	0	0	0	0	112.8	H246	G215-H246 PolarHBondContact N-NE2 3.03Å; G215-H246 PolarHBondContact O-NE2 2.61Å
216	P	92.9	Very high	88.5	Confident	31 Å²	31	47.8 Å²	47.8	20%	0.201	28%	0.275	C	S	.	.			trans	-79.1	153.5	167.7	35.9	-36.1	0	0	0	110.9	R175 W176 G177 S178 L218	R175-P216 HydrophobicContact CG-CG 4.36Å; W176-P216 VanDerWaalsContact O-CD 3.25Å; W176-P216 WeakPolarHBondContact O-CD 3.41Å; W176-P216 WeakPolarHBondContact O-CG 3.45Å; G177-P216 CarbonylContact C-O 3.57Å; G177-P216 WeakPolarHBondContact CA-O 3.42Å; S178-P216 PolarHBondContact N-O 2.87Å; P216-L218 HydrophobicContact CB-CD2 4.09Å; P216-L218 HydrophobicContact CB-CG 4.44Å; P216-L218 HydrophobicContact CG-CD2 3.89Å; P216-L218 HydrophobicContact CG-CG 4.07Å
217	I	94.9	Very high	87.1	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.5	156.2	-48.4	-177.1	0	0	0	106.1	C180 C244	C180-I217 HydrophobicContact CB-CG2 4.08Å; I217-C244 HydrophobicContact CD1-CB 4.06Å
218	L	94.9	Very high	86.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-30.1	-168.9	-70.6	175.3	0	0	0	113.9	V170 H172 S178 P216 W239 E240	V170-L218 VanDerWaalsContact O-CD1 3.25Å; V170-L218 WeakPolarHBondContact O-CD1 3.38Å; H172-L218 HydrophobicContact CB-CD1 4.02Å; S178-L218 PolarHBondContact O-N 2.88Å; P216-L218 HydrophobicContact CB-CD2 4.09Å; P216-L218 HydrophobicContact CB-CG 4.44Å; P216-L218 HydrophobicContact CG-CD2 3.89Å; P216-L218 HydrophobicContact CG-CG 4.07Å; L218-W239 HydrophobicContact CB-CE3 4.24Å; L218-W239 HydrophobicContact CB-CZ3 4.39Å; L218-W239 WeakPolarHBondContact O-CA 3.46Å; L218-E240 HydrophobicContact CD2-CG 3.96Å; L218-E240 PolarHBondContact O-N 3.32Å; L218-E240 VanDerWaalsContact O-N 3.08Å
219	L	95.4	Very high	85.4	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.1	-176.4	-68.6	175.4	0	0	0	110.6	V170 V179 C180 M222 L231 W239	V170-L219 HydrophobicContact CG2-CD1 4.25Å; V179-L219 HydrophobicContact CG1-CB 4.01Å; V179-L219 HydrophobicContact CG2-CB 4.23Å; V179-L219 HydrophobicContact CG2-CD1 4.42Å; C180-L219 PolarHBondContact N-O 3.12Å; L219-M222 HydrophobicContact CB-SD 3.93Å; L219-M222 HydrophobicContact CD1-SD 4.33Å; L219-L231 HydrophobicContact CD1-CD2 4.26Å; L219-W239 HydrophobicContact CD1-CH2 4.12Å; L219-W239 HydrophobicContact CD1-CZ3 3.99Å; L219-W239 HydrophobicContact CD2-CD2 3.96Å; L219-W239 HydrophobicContact CD2-CE3 3.64Å; L219-W239 HydrophobicContact CD2-CH2 3.95Å; L219-W239 HydrophobicContact CD2-CZ2 4.24Å; L219-W239 HydrophobicContact CD2-CZ3 3.64Å; L219-W239 HydrophobicContact CG-CE3 4.01Å; L219-W239 HydrophobicContact CG-CH2 4.22Å; L219-W239 HydrophobicContact CG-CZ3 3.69Å
220	D	95.9	Very high	85	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.043	26%	0.264	C	S	.	.			trans	-158.3	160.2	-170.9	165.1	54.3	0	0	0	109.8	C180 M222 S237 H242	C180-D220 HydrophobicContact CB-CB 4.28Å; D220-M222 VanDerWaalsContact C-N 3.31Å; D220-M222 PolarHBondContact O-N 2.87Å; D220-S237 WeakPolarHBondContact O-CB 3.47Å; D220-S237 PolarHBondContact O-N 3.01Å; D220-S237 WeakPolarHBondContact OD2-CB 3.28Å; D220-S237 PolarHBondContact OD2-OG 2.82Å; D220-H242 HydrophobicContact CB-CB 3.78Å
221	A	93.2	Very high	84.9	Confident	13 Å²	13	43 Å²	43	11%	0.107	26%	0.259	C	S	.	.	S	Bend	trans	53.2	41.5	176.6	0	0	0	0	0	114.8	D182 K223 S237	D182-A221 VanDerWaalsContact O-CA 3.28Å; D182-A221 WeakPolarHBondContact O-CA 3.23Å; D182-A221 PolarHBondContact O-N 3.22Å; A221-K223 WeakPolarHBondContact O-CE 3.27Å; A221-K223 WeakPolarHBondContact O-CG 3.34Å; A221-S237 WeakPolarHBondContact CB-OG 3.24Å
222	M	94.7	Very high	84.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.			trans	-64.3	141.5	-177.5	-58.2	-61.8	-48.6	0	0	112.5	V179 W184 L219 D220 L231 C234 H236	V179-M222 HydrophobicContact CG1-CG 3.86Å; V179-M222 HydrophobicContact CG1-SD 4.35Å; W184-M222 HydrophobicContact CE3-CB 3.85Å; W184-M222 HydrophobicContact CE3-CG 3.77Å; W184-M222 HydrophobicContact CZ3-CB 4.13Å; W184-M222 HydrophobicContact CZ3-CG 3.81Å; L219-M222 HydrophobicContact CB-SD 3.93Å; L219-M222 HydrophobicContact CD1-SD 4.33Å; D220-M222 VanDerWaalsContact C-N 3.31Å; D220-M222 PolarHBondContact O-N 2.87Å; M222-L231 HydrophobicContact CE-CD1 3.73Å; M222-L231 HydrophobicContact CE-CD2 4.45Å; M222-L231 HydrophobicContact CE-CG 3.69Å; M222-C234 HydrophobicContact CE-CB 3.99Å; M222-H236 HydrophobicContact CE-CB 3.98Å; M222-H236 HydrophobicContact SD-CB 3.42Å; M222-H236 WeakPolarHBondContact SD-CB 3.14Å
223	K	90.1	Very high	84.4	Confident	105 Å²	105	44 Å²	44	46%	0.457	26%	0.257	S	S	.	.			trans	-148.4	45.5	-172.4	-59.1	178.7	-176.7	169.1	0	113.4	D188 A221 P235	D188-K223 PolarHBondContact OD1-N 3.41Å; A221-K223 WeakPolarHBondContact O-CE 3.27Å; A221-K223 WeakPolarHBondContact O-CG 3.34Å; K223-P235 HydrophobicContact CB-CB 4.28Å; K223-P235 PolarHBondContact N-O 3.35Å; K223-P235 WeakPolarHBondContact O-CD 3.36Å
224	C	85.8	Confident	84.5	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.034	25%	0.253	C	S	.	.			trans	-58.2	148.1	178.8	-63.5	0	0	0	0	112.6	R187 D188 V191 G226 C234	R187-C224 HydrophobicContact CB-CB 4.44Å; R187-C224 WeakPolarHBondContact CB-O 3.5Å; R187-C224 WeakPolarHBondContact CD-O 3.28Å; D188-C224 HydrophobicContact CB-CB 4.44Å; D188-C224 WeakPolarHBondContact OD1-CB 3.41Å; D188-C224 PolarHBondContact OD1-N 2.79Å; D188-C224 PolarHBondContact OD1-SG 2.86Å; V191-C224 HydrophobicContact CB-CB 4.47Å; V191-C224 HydrophobicContact CG2-CB 3.8Å; C224-G226 VanDerWaalsContact C-N 3.32Å; C224-C234 WeakPolarHBondContact CA-SG 3.49Å; C224-C234 HydrophobicContact CB-CB 3.94Å; C224-C234 WeakPolarHBondContact CB-SG 3.21Å; C224-C234 WeakPolarHBondContact SG-CB 3.32Å; C224-C234 CovalentContact SG-SG 2.02Å; C224-C234 PolarHBondContact SG-SG 3.17Å
225	T	70.3	Confident	85.1	Confident	87 Å²	87	41.7 Å²	41.7	53%	0.534	24%	0.237	S	C	.	.			trans	-86.3	-5.6	167.9	67.4	0	0	0	0	112.7	N227 E228	T225-N227 PolarHBondContact O-ND2 3.29Å; T225-N227 VanDerWaalsContact O-ND2 3.11Å; T225-E228 VanDerWaalsContact CB-OE1 3.28Å; T225-E228 WeakPolarHBondContact CB-OE1 3.46Å; T225-E228 WeakPolarHBondContact CG2-OE1 3.37Å; T225-E228 PolarHBondContact N-OE1 3.2Å; T225-E228 PolarHBondContact N-OE2 3.4Å; T225-E228 VanDerWaalsContact OG1-CD 3.23Å; T225-E228 PolarHBondContact OG1-OE1 3.11Å; T225-E228 PolarHBondContact OG1-OE2 3.05Å
226	G	64.1	Low	85.4	Confident	14 Å²	14	42 Å²	42	14%	0.144	23%	0.226	C	C	.	.	S	Bend	trans	86.2	7.5	-175.1	0	0	0	0	0	113.3	C224 E228	C224-G226 VanDerWaalsContact C-N 3.32Å; G226-E228 PolarHBondContact N-OE2 2.94Å
227	N	62.6	Low	85.3	Confident	118 Å²	118	42 Å²	42	63%	0.631	23%	0.227	S	C	*	.			trans	-121.1	-9.7	-172.7	-69.1	-91.1	0	0	0	113.3	R194 T225	R194-N227 PolarHBondContact NH2-O 3.33Å; T225-N227 PolarHBondContact O-ND2 3.29Å; T225-N227 VanDerWaalsContact O-ND2 3.11Å
228	E	81.6	Confident	85.2	Confident	26 Å²	26	47 Å²	47	12%	0.121	25%	0.253	C	S	.	.			trans	-66.6	136.2	180	-64.6	78	-169.8	0	0	111.9	V191 R194 T225 G226 Q233 C234	V191-E228 HydrophobicContact CG1-CB 4.22Å; V191-E228 HydrophobicContact CG2-CB 3.93Å; R194-E228 PolarHBondContact NH2-O 2.79Å; T225-E228 VanDerWaalsContact CB-OE1 3.28Å; T225-E228 WeakPolarHBondContact CB-OE1 3.46Å; T225-E228 WeakPolarHBondContact CG2-OE1 3.37Å; T225-E228 PolarHBondContact N-OE1 3.2Å; T225-E228 PolarHBondContact N-OE2 3.4Å; T225-E228 VanDerWaalsContact OG1-CD 3.23Å; T225-E228 PolarHBondContact OG1-OE1 3.11Å; T225-E228 PolarHBondContact OG1-OE2 3.05Å; G226-E228 PolarHBondContact N-OE2 2.94Å; E228-Q233 HydrophobicContact CB-CB 4.12Å; E228-Q233 HydrophobicContact CG-CB 4.31Å; E228-C234 HydrophobicContact CG-CB 4.45Å; E228-C234 VanDerWaalsContact CG-SG 3.53Å
229	L	64.3	Low	85.1	Confident	112 Å²	112	50.2 Å²	50.2	59%	0.586	27%	0.266	S	S	*	.	S	Bend	trans	-80	-20.6	-172.6	-67.7	174.3	0	0	0	113.4
230	F	79.4	Confident	85	Confident	50 Å²	50	54.4 Å²	54.4	22%	0.219	29%	0.285	C	S	.	.	S	Bend	trans	-144.4	150.8	175.7	-53.8	-78	0	0	0	108.7	Q195 D232 Q233	Q195-F230 HydrophobicContact CG-CD1 4.05Å; Q195-F230 VanDerWaalsContact OE1-CA 3.31Å; F230-D232 WeakPolarHBondContact CB-OD1 3.26Å; F230-D232 PolarHBondContact O-N 2.93Å; F230-Q233 HydrophobicContact CB-CG 4.34Å; F230-Q233 WeakPolarHBondContact O-CB 3.31Å; F230-Q233 PolarHBondContact O-N 3.07Å
231	L	85.3	Confident	84.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.1	-31.2	-175.5	-165.7	65.4	0	0	0	113.7	L155 V168 V170 V179 W184 V191 V192 L219 M222 Q233 C234	L155-L231 HydrophobicContact CD1-CB 4.3Å; L155-L231 HydrophobicContact CD1-CD2 3.98Å; V168-L231 HydrophobicContact CG1-CD2 4.39Å; V170-L231 HydrophobicContact CG2-CD2 4.1Å; V179-L231 HydrophobicContact CG2-CD2 4.2Å; W184-L231 HydrophobicContact CH2-CD1 4.13Å; W184-L231 HydrophobicContact CH2-CD2 4.19Å; W184-L231 HydrophobicContact CZ3-CD1 4.13Å; W184-L231 HydrophobicContact CZ3-CD2 4.34Å; V191-L231 HydrophobicContact CG1-CB 4.46Å; V191-L231 HydrophobicContact CG1-CD1 4.17Å; V192-L231 HydrophobicContact CG2-CD1 3.87Å; V192-L231 HydrophobicContact CG2-CD2 4Å; V192-L231 HydrophobicContact CG2-CG 4.47Å; L219-L231 HydrophobicContact CD1-CD2 4.26Å; M222-L231 HydrophobicContact CE-CD1 3.73Å; M222-L231 HydrophobicContact CE-CD2 4.45Å; M222-L231 HydrophobicContact CE-CG 3.69Å; L231-Q233 PolarHBondContact O-N 2.79Å; L231-C234 WeakPolarHBondContact O-CB 3.5Å; L231-C234 PolarHBondContact O-N 2.88Å
232	D	85.4	Confident	84.9	Confident	59 Å²	59	62.8 Å²	62.8	32%	0.316	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-76.4	3.5	176.9	71.5	-37.2	0	0	0	114.5	P153 F230 W239	P153-D232 WeakPolarHBondContact CD-OD1 3.39Å; P153-D232 WeakPolarHBondContact CD-OD2 3.49Å; P153-D232 HydrophobicContact CG-CB 4.02Å; F230-D232 WeakPolarHBondContact CB-OD1 3.26Å; F230-D232 PolarHBondContact O-N 2.93Å; D232-W239 HydrophobicContact CB-CH2 4.23Å; D232-W239 HydrophobicContact CB-CZ2 3.87Å
233	Q	85.8	Confident	84.8	Confident	103 Å²	103	68.6 Å²	68.6	48%	0.481	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-94.7	-13.5	170.4	-58.9	-174.9	-20.5	0	0	112.7	E228 F230 L231	E228-Q233 HydrophobicContact CB-CB 4.12Å; E228-Q233 HydrophobicContact CG-CB 4.31Å; F230-Q233 HydrophobicContact CB-CG 4.34Å; F230-Q233 WeakPolarHBondContact O-CB 3.31Å; F230-Q233 PolarHBondContact O-N 3.07Å; L231-Q233 PolarHBondContact O-N 2.79Å
234	C	89.1	Confident	85	Confident	5 Å²	5	64 Å²	64	3%	0.034	33%	0.334	C	S	.	.	S	Bend	trans	-75.2	149.9	175.5	-55.3	0	0	0	0	110.4	M222 C224 E228 L231 H236	M222-C234 HydrophobicContact CE-CB 3.99Å; C224-C234 WeakPolarHBondContact CA-SG 3.49Å; C224-C234 HydrophobicContact CB-CB 3.94Å; C224-C234 WeakPolarHBondContact CB-SG 3.21Å; C224-C234 WeakPolarHBondContact SG-CB 3.32Å; C224-C234 CovalentContact SG-SG 2.02Å; C224-C234 PolarHBondContact SG-SG 3.17Å; E228-C234 HydrophobicContact CG-CB 4.45Å; E228-C234 VanDerWaalsContact CG-SG 3.53Å; L231-C234 WeakPolarHBondContact O-CB 3.5Å; L231-C234 PolarHBondContact O-N 2.88Å; C234-H236 PolarHBondContact O-CD2 2.83Å; C234-H236 PolarHBondContact O-N 3.12Å
235	P	93.8	Very high	85.4	Confident	81 Å²	81	68.4 Å²	68.4	53%	0.526	36%	0.357	S	S	.	.			trans	-62	122.7	169.3	-17	29.8	0	0	0	110.1	K223	K223-P235 HydrophobicContact CB-CB 4.28Å; K223-P235 PolarHBondContact N-O 3.35Å; K223-P235 WeakPolarHBondContact O-CD 3.36Å
236	H	93.7	Very high	86.6	Confident	52 Å²	52	66.1 Å²	66.1	24%	0.241	34%	0.34	C	S	.	.			trans	-146.9	168.1	-177.4	61.4	70.3	0	0	0	111.2	M222 C234	M222-H236 HydrophobicContact CE-CB 3.98Å; M222-H236 HydrophobicContact SD-CB 3.42Å; M222-H236 WeakPolarHBondContact SD-CB 3.14Å; C234-H236 PolarHBondContact O-CD2 2.83Å; C234-H236 PolarHBondContact O-N 3.12Å
237	S	92.3	Very high	88	Confident	32 Å²	32	70.6 Å²	70.6	22%	0.224	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-61.8	150	169.1	-71.1	0	0	0	0	111	D220 A221 Q241	D220-S237 WeakPolarHBondContact O-CB 3.47Å; D220-S237 PolarHBondContact O-N 3.01Å; D220-S237 WeakPolarHBondContact OD2-CB 3.28Å; D220-S237 PolarHBondContact OD2-OG 2.82Å; A221-S237 WeakPolarHBondContact CB-OG 3.24Å; S237-Q241 VanDerWaalsContact CB-O 3.27Å; S237-Q241 WeakPolarHBondContact CB-O 3.33Å
238	D	92.2	Very high	89.6	Confident	110 Å²	110	68.2 Å²	68.2	59%	0.588	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-52	146	171.9	-86.1	-28.9	0	0	0	111.2	E240 Q241	D238-E240 PolarHBondContact O-N 3.46Å; D238-Q241 HydrophobicContact CB-CB 4.31Å; D238-Q241 HydrophobicContact CB-CG 3.99Å; D238-Q241 WeakPolarHBondContact O-CB 3.43Å; D238-Q241 PolarHBondContact O-N 3.49Å; D238-Q241 PolarHBondContact OD2-NE2 2.96Å
239	W	93.2	Very high	90.3	Very high	71 Å²	71	67 Å²	67	27%	0.269	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	133.2	-179.7	-63.2	92	0	0	0	112.7	V170 H172 L218 L219 D232 Q241	V170-W239 HydrophobicContact CG1-CH2 4.26Å; V170-W239 HydrophobicContact CG1-CZ3 4.27Å; H172-W239 HydrophobicContact CB-CE3 3.81Å; H172-W239 HydrophobicContact CB-CH2 4.23Å; H172-W239 HydrophobicContact CB-CZ3 3.6Å; H172-W239 AromaticContact CE1-CD1 3.9Å; H172-W239 AromaticContact CE1-CD2 3.46Å; H172-W239 VanDerWaalsContact CE1-CD2 3.46Å; H172-W239 AromaticContact CE1-CE2 3.37Å; H172-W239 AromaticContact CE1-CE3 3.95Å; H172-W239 AromaticContact CE1-CG 3.8Å; H172-W239 AromaticContact CE1-CZ2 3.8Å; H172-W239 AromaticContact CE1-NE1 3.66Å; H172-W239 AromaticContact CG-CD2 3.8Å; H172-W239 AromaticContact CG-CE3 3.47Å; H172-W239 VanDerWaalsContact CG-CE3 3.47Å; H172-W239 AromaticContact CG-CZ3 3.61Å; H172-W239 AromaticContact ND1-CD2 3.37Å; H172-W239 AromaticContact ND1-CE2 3.33Å; H172-W239 VanDerWaalsContact ND1-CE2 3.33Å; H172-W239 AromaticContact ND1-CE3 3.41Å; H172-W239 AromaticContact ND1-CH2 3.39Å; H172-W239 WeakPolarHBondContact ND1-CH2 3.28Å; H172-W239 AromaticContact ND1-CZ2 3.35Å; H172-W239 VanDerWaalsContact ND1-CZ2 3.35Å; H172-W239 WeakPolarHBondContact ND1-CZ2 3.4Å; H172-W239 AromaticContact ND1-CZ3 3.42Å; H172-W239 WeakPolarHBondContact ND1-CZ3 3.38Å; H172-W239 AromaticContact NE2-CD2 3.95Å; H172-W239 AromaticContact NE2-CG 3.98Å; L218-W239 HydrophobicContact CB-CE3 4.24Å; L218-W239 HydrophobicContact CB-CZ3 4.39Å; L218-W239 WeakPolarHBondContact O-CA 3.46Å; L219-W239 HydrophobicContact CD1-CH2 4.12Å; L219-W239 HydrophobicContact CD1-CZ3 3.99Å; L219-W239 HydrophobicContact CD2-CD2 3.96Å; L219-W239 HydrophobicContact CD2-CE3 3.64Å; L219-W239 HydrophobicContact CD2-CH2 3.95Å; L219-W239 HydrophobicContact CD2-CZ2 4.24Å; L219-W239 HydrophobicContact CD2-CZ3 3.64Å; L219-W239 HydrophobicContact CG-CE3 4.01Å; L219-W239 HydrophobicContact CG-CH2 4.22Å; L219-W239 HydrophobicContact CG-CZ3 3.69Å; D232-W239 HydrophobicContact CB-CH2 4.23Å; D232-W239 HydrophobicContact CB-CZ2 3.87Å; W239-Q241 PolarHBondContact O-N 2.74Å
240	E	92.4	Very high	91.9	Very high	91 Å²	91	61.7 Å²	61.7	43%	0.425	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	8.3	-175.9	-51.4	-178.2	-141.8	0	0	115.5	R175 L218 D238	R175-E240 IonicContact CZ-OE1 2.77Å; R175-E240 VanDerWaalsContact CZ-OE1 3.27Å; R175-E240 IonicContact CZ-OE2 3.42Å; R175-E240 IonicContact NH1-OE1 2.67Å; R175-E240 PolarHBondContact NH1-OE1 2.91Å; R175-E240 IonicContact NH1-OE2 3.38Å; R175-E240 PolarHBondContact NH1-OE2 2.86Å; R175-E240 IonicContact NH2-OE1 3.77Å; R175-E240 PolarHBondContact NH2-OE1 2.97Å; R175-E240 VanDerWaalsContact NH2-OE1 3.16Å; R175-E240 IonicContact NH2-OE2 3.94Å; R175-E240 PolarHBondContact NH2-OE2 2.78Å; L218-E240 HydrophobicContact CD2-CG 3.96Å; L218-E240 PolarHBondContact O-N 3.32Å; L218-E240 VanDerWaalsContact O-N 3.08Å; D238-E240 PolarHBondContact O-N 3.46Å
241	Q	94.1	Very high	92.7	Very high	120 Å²	120	59.4 Å²	59.4	56%	0.561	30%	0.301	S	S	*	.			trans	-97.3	100.4	170	-62.1	-174.5	46.7	0	0	110.2	S237 D238 W239	S237-Q241 VanDerWaalsContact CB-O 3.27Å; S237-Q241 WeakPolarHBondContact CB-O 3.33Å; D238-Q241 HydrophobicContact CB-CB 4.31Å; D238-Q241 HydrophobicContact CB-CG 3.99Å; D238-Q241 WeakPolarHBondContact O-CB 3.43Å; D238-Q241 PolarHBondContact O-N 3.49Å; D238-Q241 PolarHBondContact OD2-NE2 2.96Å; W239-Q241 PolarHBondContact O-N 2.74Å
242	H	93.7	Very high	93.1	Very high	76 Å²	76	59.4 Å²	59.4	35%	0.352	30%	0.301	S	S	.	.			trans	-141.4	158.5	176.9	64.2	97.7	0	0	0	110.5	D220 C244	D220-H242 HydrophobicContact CB-CB 3.78Å; H242-C244 PolarHBondContact CE1-O 2.62Å; H242-C244 VanDerWaalsContact CE1-O 3.26Å; H242-C244 PolarHBondContact ND1-N 2.95Å; H242-C244 PolarHBondContact ND1-O 3.46Å
243	N	92.3	Very high	93	Very high	122 Å²	122	56.9 Å²	56.9	65%	0.652	29%	0.288	S	S	*	.			trans	-96.6	-8.4	165.7	41.5	-107.5	0	0	0	114	D182	D182-N243 PolarHBondContact OD2-ND2 2.9Å; D182-N243 VanDerWaalsContact OD2-ND2 3.12Å
244	C	94.8	Very high	92.4	Very high	9 Å²	9	52 Å²	52	6%	0.061	27%	0.265	C	S	.	.			trans	-80.3	161.2	-164.5	-40.4	0	0	0	0	114.8	C180 I217 H242 E248	C180-C244 HydrophobicContact CB-CB 3.81Å; C180-C244 WeakPolarHBondContact CB-SG 3.36Å; C180-C244 WeakPolarHBondContact SG-CB 3.41Å; C180-C244 CovalentContact SG-SG 2.02Å; C180-C244 PolarHBondContact SG-SG 2.83Å; I217-C244 HydrophobicContact CD1-CB 4.06Å; H242-C244 PolarHBondContact CE1-O 2.62Å; H242-C244 VanDerWaalsContact CE1-O 3.26Å; H242-C244 PolarHBondContact ND1-N 2.95Å; H242-C244 PolarHBondContact ND1-O 3.46Å; C244-E248 WeakPolarHBondContact CA-OE2 3.46Å; C244-E248 HydrophobicContact CB-CB 4.06Å; C244-E248 WeakPolarHBondContact CB-OE2 3.49Å
245	D	94.2	Very high	91.1	Very high	98 Å²	98	52.2 Å²	52.2	52%	0.524	27%	0.267	S	S	.	.			trans	-112.8	173.1	159.9	86.3	47.9	0	0	0	112.3	M247 E248	D245-M247 PolarHBondContact O-N 3.34Å; D245-M247 VanDerWaalsContact OD1-CB 3.24Å; D245-M247 WeakPolarHBondContact OD1-CB 3.35Å; D245-M247 PolarHBondContact OD1-N 3.28Å; D245-E248 PolarHBondContact N-OE2 3.19Å; D245-E248 WeakPolarHBondContact O-CB 3.35Å; D245-E248 PolarHBondContact O-N 2.62Å
246	H	95.2	Very high	89.1	Confident	38 Å²	38	51 Å²	51	18%	0.176	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.1	-6.6	-174.6	-77.8	-45.2	0	0	0	115.1	A208 Q212 G213 G215 D249	A208-H246 WeakPolarHBondContact CB-O 3.5Å; Q212-H246 HydrophobicContact CB-CB 4.09Å; Q212-H246 WeakPolarHBondContact CG-O 3.41Å; G213-H246 PolarHBondContact O-CD2 2.85Å; G215-H246 PolarHBondContact N-NE2 3.03Å; G215-H246 PolarHBondContact O-NE2 2.61Å; H246-D249 IonicContact CE1-OD1 2.78Å; H246-D249 IonicContact CE1-OD2 2.65Å; H246-D249 IonicContact CG-OD1 3.71Å; H246-D249 IonicContact CG-OD2 3.68Å; H246-D249 VanDerWaalsContact ND1-CG 3.34Å; H246-D249 IonicContact ND1-OD1 2.83Å; H246-D249 PolarHBondContact ND1-OD1 2.95Å; H246-D249 IonicContact ND1-OD2 3.8Å; H246-D249 PolarHBondContact ND1-OD2 3.22Å
247	M	93.2	Very high	87.1	Confident	108 Å²	108	50.9 Å²	50.9	53%	0.532	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-70.8	-19.2	168.2	-143.8	74.3	163.7	0	0	112.1	W207 A208 Q212 D245	W207-M247 CarbonylContact C-O 3.54Å; W207-M247 WeakPolarHBondContact CA-O 3.32Å; A208-M247 PolarHBondContact N-O 2.8Å; Q212-M247 HydrophobicContact CG-SD 4.29Å; D245-M247 PolarHBondContact O-N 3.34Å; D245-M247 VanDerWaalsContact OD1-CB 3.24Å; D245-M247 WeakPolarHBondContact OD1-CB 3.35Å; D245-M247 PolarHBondContact OD1-N 3.28Å
248	E	96.1	Very high	85.3	Confident	68 Å²	68	53.9 Å²	53.9	32%	0.318	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-104	20.7	179.3	-62.2	157.3	136.2	0	0	111	C180 D181 C244 D245 A250	C180-E248 CarbonylContact C-O 3.55Å; C180-E248 WeakPolarHBondContact CA-O 3.44Å; D181-E248 VanDerWaalsContact CG-O 3.31Å; D181-E248 PolarHBondContact N-O 2.88Å; C244-E248 WeakPolarHBondContact CA-OE2 3.46Å; C244-E248 HydrophobicContact CB-CB 4.06Å; C244-E248 WeakPolarHBondContact CB-OE2 3.49Å; D245-E248 PolarHBondContact N-OE2 3.19Å; D245-E248 WeakPolarHBondContact O-CB 3.35Å; D245-E248 PolarHBondContact O-N 2.62Å; E248-A250 PolarHBondContact O-N 2.93Å
249	D	96.9	Very high	83.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-68.7	124.7	175.5	-80.3	-19.6	0	0	0	111.2	R167 S178 A208 G213 H246	R167-D249 HydrophobicContact CG-CB 4.24Å; S178-D249 WeakPolarHBondContact CB-OD1 3.41Å; S178-D249 PolarHBondContact OG-OD1 2.66Å; A208-D249 WeakPolarHBondContact CA-O 3.47Å; A208-D249 HydrophobicContact CB-CB 4.3Å; A208-D249 PolarHBondContact N-O 3.02Å; G213-D249 WeakPolarHBondContact CA-OD2 3.5Å; G213-D249 PolarHBondContact N-OD2 3.15Å; H246-D249 IonicContact CE1-OD1 2.78Å; H246-D249 IonicContact CE1-OD2 2.65Å; H246-D249 IonicContact CG-OD1 3.71Å; H246-D249 IonicContact CG-OD2 3.68Å; H246-D249 VanDerWaalsContact ND1-CG 3.34Å; H246-D249 IonicContact ND1-OD1 2.83Å; H246-D249 PolarHBondContact ND1-OD1 2.95Å; H246-D249 IonicContact ND1-OD2 3.8Å; H246-D249 PolarHBondContact ND1-OD2 3.22Å
250	A	97.1	Very high	82.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	25%	0.25	C	C	.	.			trans	-74.3	148.6	-178.3	0	0	0	0	0	113.7	R167 V168 V179 D181 W184 E248	R167-A250 WeakPolarHBondContact CA-O 3.49Å; V168-A250 PolarHBondContact N-O 2.96Å; V179-A250 HydrophobicContact CB-CB 4.3Å; V179-A250 HydrophobicContact CG1-CB 4.49Å; V179-A250 WeakPolarHBondContact O-CB 3.27Å; V179-A250 PolarHBondContact O-N 3.1Å; D181-A250 HydrophobicContact CB-CB 4.15Å; W184-A250 HydrophobicContact CD2-CB 3.86Å; W184-A250 HydrophobicContact CE3-CB 4.43Å; W184-A250 HydrophobicContact CG-CB 3.94Å; W184-A250 HydrophobicContact CZ2-CB 4.44Å; E248-A250 PolarHBondContact O-N 2.93Å
251	G	95	Very high	81.2	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	171	174.5	0	0	0	0	0	113.1	G166 W184 W205	G166-G251 CarbonylContact O-C 3.58Å; G166-G251 VanDerWaalsContact O-CA 3.24Å; G166-G251 WeakPolarHBondContact O-CA 3.46Å; W184-G251 PolarHBondContact NE1-O 2.96Å; W205-G251 PolarHBondContact N-O 2.91Å; W205-G251 PolarHBondContact O-N 3.2Å
252	V	93.8	Very high	80.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.3	172.6	-59.9	0	0	0	0	110.9	L157 E165 G166 V168 W184 A189 V192 K203	L157-V252 HydrophobicContact CD1-CG2 3.87Å; L157-V252 HydrophobicContact CD2-CG2 3.49Å; L157-V252 VanDerWaalsContact CD2-CG2 3.49Å; L157-V252 HydrophobicContact CG-CG2 4.35Å; E165-V252 VanDerWaalsContact CA-O 3.31Å; E165-V252 WeakPolarHBondContact CA-O 3.36Å; E165-V252 WeakPolarHBondContact CB-O 3.06Å; G166-V252 PolarHBondContact N-O 3.31Å; G166-V252 PolarHBondContact O-N 3.23Å; V168-V252 HydrophobicContact CG2-CB 4.46Å; V168-V252 HydrophobicContact CG2-CG1 3.79Å; V168-V252 HydrophobicContact CG2-CG2 4.04Å; W184-V252 HydrophobicContact CZ2-CG1 3.7Å; A189-V252 HydrophobicContact CB-CB 4.29Å; A189-V252 HydrophobicContact CB-CG1 3.61Å; V192-V252 HydrophobicContact CB-CG1 4.32Å; V192-V252 HydrophobicContact CG1-CG1 4.28Å; V192-V252 HydrophobicContact CG1-CG2 3.9Å; K203-V252 CarbonylContact O-C 3.52Å; K203-V252 WeakPolarHBondContact O-CA 3.5Å
253	S	84.4	Confident	79.5	Confident	7 Å²	7	41.7 Å²	41.7	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.7	152.2	-170.6	0	0	0	0	108.8	E165 K203 S255	E165-S253 WeakPolarHBondContact OE2-CB 3.5Å; E165-S253 PolarHBondContact OE2-OG 3.38Å; K203-S253 PolarHBondContact N-O 3.19Å; K203-S253 PolarHBondContact O-N 2.87Å; S253-S255 VanDerWaalsContact C-N 3.27Å; S253-S255 PolarHBondContact O-N 3.1Å
254	C	73.7	Confident	78.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.196	C	C	.	.			trans	-87.6	4.9	-174.1	-62	0	0	0	0	114	F164 C193 Y198 P256	F164-C254 HydrophobicContact CB-CB 4.31Å; F164-C254 WeakPolarHBondContact O-CB 3.3Å; F164-C254 PolarHBondContact O-N 2.93Å; C193-C254 WeakPolarHBondContact CA-SG 3.17Å; C193-C254 HydrophobicContact CB-CB 3.53Å; C193-C254 WeakPolarHBondContact CB-SG 3.39Å; C193-C254 WeakPolarHBondContact SG-CA 3.45Å; C193-C254 WeakPolarHBondContact SG-CB 3.45Å; C193-C254 CovalentContact SG-SG 2.03Å; C193-C254 PolarHBondContact SG-SG 2.96Å; Y198-C254 HydrophobicContact CD2-CB 4.06Å; Y198-C254 HydrophobicContact CG-CB 4.09Å; C254-P256 VanDerWaalsContact O-N 3.14Å
255	S	61.2	Low	77.8	Confident	9 Å²	9	39.1 Å²	39.1	6%	0.063	21%	0.205	C	C	.	.			trans	12.3	83.4	179.3	-57.5	0	0	0	0	113.7	G200 V201 S253 Y257	G200-S255 WeakPolarHBondContact CA-O 3.4Å; V201-S255 PolarHBondContact N-O 3.22Å; V201-S255 WeakPolarHBondContact O-CB 3.46Å; S253-S255 VanDerWaalsContact C-N 3.27Å; S253-S255 PolarHBondContact O-N 3.1Å; S255-Y257 PolarHBondContact O-N 2.91Å
256	P	51.7	Low	76.4	Confident	54 Å²	54	37 Å²	37	35%	0.351	21%	0.206	S	C	.	.			trans	-68.7	7.5	-179.5	30.9	-36.9	0	0	0	113.1	F164 G199 C254	F164-P256 HydrophobicContact CB-CG 4.3Å; F164-P256 HydrophobicContact CD1-CG 4.01Å; F164-P256 HydrophobicContact CD2-CG 4.45Å; F164-P256 HydrophobicContact CG-CG 3.98Å; G199-P256 WeakPolarHBondContact O-CA 3.46Å; C254-P256 VanDerWaalsContact O-N 3.14Å
257	Y	52.2	Low	75.1	Confident	51 Å²	51	36.5 Å²	36.5	20%	0.2	21%	0.211	C	C	.	.			trans	-89.9	122	-179.2	-48	-53.7	0	0	0	108.9	F164 S255 V261 F278 W283	F164-Y257 HydrophobicContact CE1-CE2 4.4Å; F164-Y257 VanDerWaalsContact CE1-OH 3.32Å; F164-Y257 WeakPolarHBondContact CE1-OH 3.2Å; F164-Y257 HydrophobicContact CE2-CE2 4.01Å; F164-Y257 AromaticContact CZ-CE2 3.73Å; F164-Y257 HydrophobicContact CZ-CE2 3.73Å; F164-Y257 AromaticContact CZ-CZ 3.83Å; F164-Y257 VanDerWaalsContact CZ-OH 3.23Å; F164-Y257 WeakPolarHBondContact CZ-OH 3.12Å; S255-Y257 PolarHBondContact O-N 2.91Å; Y257-V261 HydrophobicContact CD1-CB 4.42Å; Y257-V261 HydrophobicContact CD1-CG1 3.89Å; Y257-F278 HydrophobicContact CD2-CD2 4.22Å; Y257-F278 HydrophobicContact CD2-CE2 4.25Å; Y257-F278 HydrophobicContact CG-CG 4.46Å; Y257-F278 WeakPolarHBondContact O-CD1 3.27Å; Y257-F278 WeakPolarHBondContact O-CE1 3.49Å; Y257-W283 HydrophobicContact CD1-CZ2 4.08Å; Y257-W283 AromaticContact CD2-CE2 3.97Å; Y257-W283 AromaticContact CD2-CZ2 3.66Å; Y257-W283 HydrophobicContact CD2-CZ2 3.66Å; Y257-W283 AromaticContact CD2-NE1 3.76Å; Y257-W283 HydrophobicContact CE1-CZ2 4.14Å; Y257-W283 AromaticContact CE2-CZ2 3.73Å; Y257-W283 HydrophobicContact CE2-CZ2 3.73Å; Y257-W283 AromaticContact CE2-NE1 3.71Å; Y257-W283 AromaticContact CG-CZ2 3.83Å; Y257-W283 HydrophobicContact CG-CZ2 3.83Å; Y257-W283 AromaticContact CZ-CZ2 3.96Å
258	T	53.5	Low	73.5	Confident	94 Å²	94	39.4 Å²	39.4	58%	0.577	23%	0.229	S	C	*	.			trans	-75.9	162.8	161	58.1	0	0	0	0	109.5	G260 V261	T258-G260 PolarHBondContact O-N 3.25Å; T258-V261 WeakPolarHBondContact O-CG2 3.49Å; T258-V261 PolarHBondContact O-N 3.08Å
259	D	63.6	Low	71.3	Confident	65 Å²	65	37.9 Å²	37.9	35%	0.348	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	133.1	163.4	-80.3	4.9	0	0	0	111	F278 H279 N280 L339	D259-F278 WeakPolarHBondContact CA-O 3.21Å; D259-H279 WeakPolarHBondContact OD1-CA 3.07Å; D259-H279 IonicContact OD1-ND1 2.96Å; D259-H279 PolarHBondContact OD1-ND1 3.24Å; D259-H279 IonicContact OD2-CE1 3.25Å; D259-H279 PolarHBondContact OD2-CE1 3.03Å; D259-H279 VanDerWaalsContact OD2-CE1 3.26Å; D259-H279 IonicContact OD2-ND1 2.69Å; D259-H279 PolarHBondContact OD2-ND1 3.24Å; D259-N280 PolarHBondContact OD1-N 3.26Å; D259-L339 HydrophobicContact CB-CD1 4.4Å
260	G	62.1	Low	68.9	Low	2 Å²	2	42.3 Å²	42.3	2%	0.021	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-1.4	177.4	0	0	0	0	0	116.4	T258 V262 F278 Q302 L339	T258-G260 PolarHBondContact O-N 3.25Å; G260-V262 PolarHBondContact O-N 2.67Å; G260-F278 PolarHBondContact N-O 2.85Å; G260-Q302 PolarHBondContact O-NE2 3.17Å; G260-L339 VanDerWaalsContact CA-CD1 3.45Å; G260-L339 VanDerWaalsContact CA-CG 3.44Å
261	V	66.4	Low	67.5	Low	43 Å²	43	47 Å²	47	26%	0.261	27%	0.271	S	S	.	.			trans	-64.3	136.6	169	177.7	0	0	0	0	109.2	Y257 T258 V277 F278 W283	Y257-V261 HydrophobicContact CD1-CB 4.42Å; Y257-V261 HydrophobicContact CD1-CG1 3.89Å; T258-V261 WeakPolarHBondContact O-CG2 3.49Å; T258-V261 PolarHBondContact O-N 3.08Å; V261-V277 CarbonylContact O-C 3.59Å; V261-V277 WeakPolarHBondContact O-CA 3.42Å; V261-F278 PolarHBondContact O-N 2.86Å; V261-W283 HydrophobicContact CG1-CH2 4.16Å; V261-W283 WeakPolarHBondContact O-CZ3 3.31Å
262	V	76.4	Confident	66.7	Low	10 Å²	10	48.1 Å²	48.1	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147	-177.9	175.5	0	0	0	0	110.1	G260 V275 E276 V277 V299 L303 L338	G260-V262 PolarHBondContact O-N 2.67Å; V262-V275 HydrophobicContact CG1-CG1 3.79Å; V262-E276 CarbonylContact C-O 3.6Å; V262-E276 VanDerWaalsContact CA-O 3.28Å; V262-E276 WeakPolarHBondContact CA-O 3.12Å; V262-V277 HydrophobicContact CG2-CB 4.49Å; V262-V277 HydrophobicContact CG2-CG2 4.27Å; V262-V299 HydrophobicContact CG1-CG1 3.85Å; V262-L303 WeakPolarHBondContact O-CD2 3.02Å; V262-L338 HydrophobicContact CG2-CB 4.25Å; V262-L338 HydrophobicContact CG2-CD2 4.28Å
263	R	75.1	Confident	66.2	Low	93 Å²	93	48.1 Å²	48.1	35%	0.351	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162.4	169.3	71.8	-177.2	-176.6	-170.1	-0.2	111.2	V265 E276 W283	R263-V265 HydrophobicContact CG-CG2 3.89Å; R263-E276 HydrophobicContact CG-CB 3.86Å; R263-E276 IonicContact CZ-OE2 2.71Å; R263-E276 PolarHBondContact N-O 2.9Å; R263-E276 IonicContact NE-OE2 3.74Å; R263-E276 PolarHBondContact NE-OE2 2.95Å; R263-E276 IonicContact NH2-OE2 3.3Å; R263-E276 PolarHBondContact NH2-OE2 3.04Å; R263-E276 PolarHBondContact O-N 2.8Å; R263-W283 HydrophobicContact CB-CH2 3.86Å; R263-W283 HydrophobicContact CB-CZ3 3.99Å; R263-W283 HydrophobicContact CG-CE3 3.92Å; R263-W283 HydrophobicContact CG-CH2 3.76Å; R263-W283 HydrophobicContact CG-CZ2 4.39Å; R263-W283 HydrophobicContact CG-CZ3 3.5Å
264	L	76.4	Confident	66.5	Low	35 Å²	35	48.8 Å²	48.8	18%	0.183	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	172.1	-57.3	-176.9	0	0	0	109.6	R274 V275 V299 L303 V359	L264-R274 WeakPolarHBondContact CA-O 3.19Å; L264-V275 HydrophobicContact CD2-CG2 4.18Å; L264-V299 HydrophobicContact CD2-CG1 4.29Å; L264-L303 HydrophobicContact CD1-CD1 3.75Å; L264-L303 HydrophobicContact CD2-CD1 3.92Å; L264-L303 HydrophobicContact CG-CD1 3.6Å; L264-V359 HydrophobicContact CD1-CG2 4.22Å; L264-V359 HydrophobicContact CD2-CG2 3.4Å; L264-V359 VanDerWaalsContact CD2-CG2 3.4Å; L264-V359 HydrophobicContact CG-CG2 4.48Å
265	V	76.2	Confident	67.4	Low	42 Å²	42	48.7 Å²	48.7	26%	0.255	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146	-176.3	-172.6	0	0	0	0	110.9	R263 G267 G273 R274 E276	R263-V265 HydrophobicContact CG-CG2 3.89Å; V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 3.31Å; V265-G273 CarbonylContact O-C 3.54Å; V265-G273 VanDerWaalsContact O-CA 3.26Å; V265-G273 WeakPolarHBondContact O-CA 3.47Å; V265-R274 PolarHBondContact N-O 2.98Å; V265-R274 PolarHBondContact O-N 3.44Å; V265-E276 HydrophobicContact CG2-CG 4.39Å; V265-E276 WeakPolarHBondContact CG2-OE2 3.1Å
266	G	65.1	Low	68.7	Low	52 Å²	52	48.8 Å²	48.8	54%	0.536	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.9	1.9	173.8	0	0	0	0	0	116.1
267	G	67.3	Low	70.2	Confident	28 Å²	28	46.2 Å²	46.2	29%	0.289	26%	0.259	S	S	.	.			trans	-83.5	150.2	170	0	0	0	0	0	113.5	V265 T269 E272	V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 3.31Å; G267-T269 PolarHBondContact O-N 3.09Å; G267-E272 WeakPolarHBondContact CA-O 3.41Å
268	D	58.6	Low	71	Confident	169 Å²	169	43.9 Å²	43.9	90%	0.904	25%	0.25	S	S	*	.	S	Bend	trans	-70.8	-18.8	172.7	-78.1	-42.6	0	0	0	112.9
269	T	50.4	Low	72	Confident	37 Å²	37	40.6 Å²	40.6	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	-130.6	152.6	-177.8	69.7	0	0	0	0	112	G267 W271 E272	G267-T269 PolarHBondContact O-N 3.09Å; T269-W271 HydrophobicContact CG2-CH2 4.38Å; T269-W271 HydrophobicContact CG2-CZ2 3.78Å; T269-W271 PolarHBondContact O-N 3.12Å; T269-W271 PolarHBondContact OG1-NE1 2.96Å; T269-E272 PolarHBondContact O-N 3.37Å; T269-E272 WeakPolarHBondContact OG1-CG 3.49Å; T269-E272 PolarHBondContact OG1-OE1 3.31Å
270	P	47.7	Very low	72	Confident	94 Å²	94	43.4 Å²	43.4	61%	0.61	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.9	-173.2	-24.5	35.2	0	0	0	115.6	Y305	P270-Y305 PolarHBondContact O-OH 3.31Å; P270-Y305 VanDerWaalsContact O-OH 3.08Å
271	W	66.8	Low	71.6	Confident	98 Å²	98	43.6 Å²	43.6	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.1	-176.6	56.6	72.1	0	0	0	112.9	T269 Y305 R360 C361	T269-W271 HydrophobicContact CG2-CH2 4.38Å; T269-W271 HydrophobicContact CG2-CZ2 3.78Å; T269-W271 PolarHBondContact O-N 3.12Å; T269-W271 PolarHBondContact OG1-NE1 2.96Å; W271-Y305 HydrophobicContact CB-CD1 4.16Å; W271-Y305 HydrophobicContact CB-CD2 4.43Å; W271-Y305 HydrophobicContact CB-CE1 3.81Å; W271-Y305 HydrophobicContact CB-CE2 4.08Å; W271-Y305 HydrophobicContact CB-CG 4.49Å; W271-R360 WeakPolarHBondContact O-CA 3.29Å; W271-C361 HydrophobicContact CB-CB 4.18Å; W271-C361 VanDerWaalsContact CD1-O 3.31Å; W271-C361 PolarHBondContact O-N 3.26Å
272	E	79	Confident	71.3	Confident	27 Å²	27	45.3 Å²	45.3	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.4	173.8	78.4	-166.2	123.2	0	0	112.1	G267 T269 F317 V359 R360	G267-E272 WeakPolarHBondContact CA-O 3.41Å; T269-E272 PolarHBondContact O-N 3.37Å; T269-E272 WeakPolarHBondContact OG1-CG 3.49Å; T269-E272 PolarHBondContact OG1-OE1 3.31Å; E272-F317 HydrophobicContact CB-CE1 4.11Å; E272-F317 HydrophobicContact CB-CZ 3.8Å; E272-F317 HydrophobicContact CG-CE1 3.71Å; E272-F317 HydrophobicContact CG-CZ 3.94Å; E272-V359 WeakPolarHBondContact CA-O 3.47Å; E272-R360 HydrophobicContact CB-CB 3.94Å; E272-R360 HydrophobicContact CB-CG 3.91Å; E272-R360 IonicContact OE2-CZ 2.91Å; E272-R360 IonicContact OE2-NE 3.2Å; E272-R360 PolarHBondContact OE2-NE 2.89Å; E272-R360 IonicContact OE2-NH2 2.66Å; E272-R360 PolarHBondContact OE2-NH2 2.02Å
273	G	83.1	Confident	71.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	173.4	178.3	0	0	0	0	0	113.2	V265 F317 G358 V359	V265-G273 CarbonylContact O-C 3.54Å; V265-G273 VanDerWaalsContact O-CA 3.26Å; V265-G273 WeakPolarHBondContact O-CA 3.47Å; G273-F317 WeakPolarHBondContact O-CD2 3.05Å; G273-G358 WeakPolarHBondContact O-CA 2.96Å; G273-V359 PolarHBondContact N-O 2.9Å; G273-V359 PolarHBondContact O-N 3.09Å
274	R	89.8	Confident	71.4	Confident	20 Å²	20	42.8 Å²	42.8	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.2	163.9	179.8	-179.7	60.6	-110.4	2.2	109.1	L264 V265 E276 T285 F317 G318 E319 D356 V357	L264-R274 WeakPolarHBondContact CA-O 3.19Å; V265-R274 PolarHBondContact N-O 2.98Å; V265-R274 PolarHBondContact O-N 3.44Å; R274-E276 IonicContact CZ-OE1 3.99Å; R274-E276 VanDerWaalsContact CZ-OE1 3.25Å; R274-E276 IonicContact NE-OE1 3.5Å; R274-E276 PolarHBondContact NE-OE1 3.24Å; R274-E276 IonicContact NH2-OE1 3.55Å; R274-E276 PolarHBondContact NH2-OE1 2.92Å; R274-T285 HydrophobicContact CG-CG2 4.39Å; R274-F317 HydrophobicContact CB-CB 4.26Å; R274-F317 PolarHBondContact NH1-O 2.04Å; R274-G318 PolarHBondContact NH1-O 2.98Å; R274-E319 PolarHBondContact NH1-O 2.7Å; R274-E319 VanDerWaalsContact NH1-O 3.13Å; R274-D356 HydrophobicContact CG-CB 4Å; R274-V357 CarbonylContact C-O 3.4Å; R274-V357 WeakPolarHBondContact CA-O 3.36Å
275	V	92	Very high	72	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.2	176.4	-178	0	0	0	0	109.2	V262 L264 V286 W291 V299 L338 V357 V359	V262-V275 HydrophobicContact CG1-CG1 3.79Å; L264-V275 HydrophobicContact CD2-CG2 4.18Å; V275-V286 HydrophobicContact CG1-CG2 3.98Å; V275-W291 HydrophobicContact CG2-CH2 4.38Å; V275-V299 HydrophobicContact CG1-CG2 4.3Å; V275-V299 HydrophobicContact CG2-CG1 4.36Å; V275-L338 HydrophobicContact CG1-CD2 4.4Å; V275-V357 HydrophobicContact CB-CG1 3.77Å; V275-V357 HydrophobicContact CG2-CG1 3.87Å; V275-V357 PolarHBondContact N-O 3.35Å; V275-V359 HydrophobicContact CG2-CB 4.27Å; V275-V359 HydrophobicContact CG2-CG1 3.72Å; V275-V359 HydrophobicContact CG2-CG2 3.69Å
276	E	88.9	Confident	72.8	Confident	11 Å²	11	39.1 Å²	39.1	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.8	169	-74.7	172.6	-159.9	0	0	109.7	V262 R263 V265 R274 W283 G284 T285	V262-E276 CarbonylContact C-O 3.6Å; V262-E276 VanDerWaalsContact CA-O 3.28Å; V262-E276 WeakPolarHBondContact CA-O 3.12Å; R263-E276 HydrophobicContact CG-CB 3.86Å; R263-E276 IonicContact CZ-OE2 2.71Å; R263-E276 PolarHBondContact N-O 2.9Å; R263-E276 IonicContact NE-OE2 3.74Å; R263-E276 PolarHBondContact NE-OE2 2.95Å; R263-E276 IonicContact NH2-OE2 3.3Å; R263-E276 PolarHBondContact NH2-OE2 3.04Å; R263-E276 PolarHBondContact O-N 2.8Å; V265-E276 HydrophobicContact CG2-CG 4.39Å; V265-E276 WeakPolarHBondContact CG2-OE2 3.1Å; R274-E276 IonicContact CZ-OE1 3.99Å; R274-E276 VanDerWaalsContact CZ-OE1 3.25Å; R274-E276 IonicContact NE-OE1 3.5Å; R274-E276 PolarHBondContact NE-OE1 3.24Å; R274-E276 IonicContact NH2-OE1 3.55Å; R274-E276 PolarHBondContact NH2-OE1 2.92Å; E276-W283 HydrophobicContact CB-CE3 4.06Å; E276-W283 WeakPolarHBondContact O-CZ3 3.16Å; E276-G284 CarbonylContact C-O 3.56Å; E276-G284 VanDerWaalsContact CA-O 3.25Å; E276-G284 WeakPolarHBondContact CA-O 3.3Å; E276-T285 HydrophobicContact CG-CG2 3.82Å
277	V	83.7	Confident	74.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.9	-179.6	66.7	0	0	0	0	109.8	V261 V262 W283 G284 V286 L325 L326 W346	V261-V277 CarbonylContact O-C 3.59Å; V261-V277 WeakPolarHBondContact O-CA 3.42Å; V262-V277 HydrophobicContact CG2-CB 4.49Å; V262-V277 HydrophobicContact CG2-CG2 4.27Å; V277-W283 VanDerWaalsContact C-CE3 3.42Å; V277-G284 PolarHBondContact N-O 3.46Å; V277-G284 PolarHBondContact O-N 2.93Å; V277-V286 HydrophobicContact CB-CG2 4.35Å; V277-V286 HydrophobicContact CG1-CG2 3.97Å; V277-L325 HydrophobicContact CG1-CB 3.96Å; V277-L325 HydrophobicContact CG1-CD1 4.29Å; V277-L326 HydrophobicContact CB-CD1 4.45Å; V277-L326 HydrophobicContact CG1-CD1 3.99Å; V277-L326 HydrophobicContact CG1-CG 4.12Å; V277-L326 HydrophobicContact CG2-CD1 4.27Å; V277-W346 HydrophobicContact CG1-CZ3 4.23Å; V277-W346 HydrophobicContact CG2-CH2 4.44Å
278	F	69.9	Low	75.1	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.6	174.7	-168.5	-101.6	0	0	0	110.7	Y257 D259 G260 V261 G281 D282 W283	Y257-F278 HydrophobicContact CD2-CD2 4.22Å; Y257-F278 HydrophobicContact CD2-CE2 4.25Å; Y257-F278 HydrophobicContact CG-CG 4.46Å; Y257-F278 WeakPolarHBondContact O-CD1 3.27Å; Y257-F278 WeakPolarHBondContact O-CE1 3.49Å; D259-F278 WeakPolarHBondContact CA-O 3.21Å; G260-F278 PolarHBondContact N-O 2.85Å; V261-F278 PolarHBondContact O-N 2.86Å; F278-G281 VanDerWaalsContact CZ-CA 3.46Å; F278-D282 WeakPolarHBondContact CD2-O 3.43Å; F278-W283 HydrophobicContact CB-CD2 4.12Å; F278-W283 HydrophobicContact CB-CE3 4Å; F278-W283 HydrophobicContact CB-CH2 4.06Å; F278-W283 HydrophobicContact CB-CZ2 4.17Å; F278-W283 HydrophobicContact CB-CZ3 3.96Å; F278-W283 AromaticContact CD2-CD1 3.72Å; F278-W283 AromaticContact CD2-CD2 3.88Å; F278-W283 HydrophobicContact CD2-CD2 3.88Å; F278-W283 AromaticContact CD2-CE2 3.73Å; F278-W283 AromaticContact CD2-CG 3.9Å; F278-W283 HydrophobicContact CD2-CG 3.9Å; F278-W283 HydrophobicContact CD2-CZ2 4.34Å; F278-W283 AromaticContact CD2-NE1 3.61Å
279	H	72.9	Confident	76.5	Confident	24 Å²	24	33 Å²	33	11%	0.111	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	137.3	172.6	178.8	49.2	0	0	0	111.1	D259 G281 D282 L325 W346	D259-H279 WeakPolarHBondContact OD1-CA 3.07Å; D259-H279 IonicContact OD1-ND1 2.96Å; D259-H279 PolarHBondContact OD1-ND1 3.24Å; D259-H279 IonicContact OD2-CE1 3.25Å; D259-H279 PolarHBondContact OD2-CE1 3.03Å; D259-H279 VanDerWaalsContact OD2-CE1 3.26Å; D259-H279 IonicContact OD2-ND1 2.69Å; D259-H279 PolarHBondContact OD2-ND1 3.24Å; H279-G281 PolarHBondContact O-N 2.81Å; H279-G281 VanDerWaalsContact O-N 3.1Å; H279-D282 PolarHBondContact N-O 2.85Å; H279-D282 PolarHBondContact O-N 2.02Å; H279-L325 HydrophobicContact CB-CD1 4.24Å; H279-W346 HydrophobicContact CB-CE3 4Å; H279-W346 HydrophobicContact CB-CH2 3.76Å; H279-W346 HydrophobicContact CB-CZ2 4.35Å; H279-W346 HydrophobicContact CB-CZ3 3.56Å; H279-W346 AromaticContact CD2-CD2 3.25Å; H279-W346 AromaticContact CD2-CE2 3.7Å; H279-W346 AromaticContact CD2-CE3 3.34Å; H279-W346 AromaticContact CD2-CG 3.6Å; H279-W346 AromaticContact CD2-CZ3 3.83Å; H279-W346 AromaticContact CE1-CE2 3.86Å; H279-W346 AromaticContact CE1-NE1 3.89Å; H279-W346 AromaticContact CG-CD2 3.88Å; H279-W346 AromaticContact CG-CE2 3.95Å; H279-W346 AromaticContact CG-CE3 3.78Å; H279-W346 AromaticContact CG-CH2 3.84Å; H279-W346 AromaticContact CG-CZ2 3.94Å; H279-W346 AromaticContact CG-CZ3 3.76Å; H279-W346 AromaticContact NE2-CD1 3.56Å; H279-W346 AromaticContact NE2-CD2 3.49Å; H279-W346 AromaticContact NE2-CE2 3.67Å; H279-W346 AromaticContact NE2-CG 3.41Å; H279-W346 AromaticContact NE2-NE1 3.72Å
280	N	64.1	Low	78.1	Confident	124 Å²	124	36.8 Å²	36.8	66%	0.663	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	28.6	174.5	-87.6	-46.2	0	0	0	115.2	D259	D259-N280 PolarHBondContact OD1-N 3.26Å
281	G	54.2	Low	80.1	Confident	7 Å²	7	33.7 Å²	33.7	7%	0.072	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	4.3	174.2	0	0	0	0	0	115.8	K203 F278 H279	K203-G281 PolarHBondContact NZ-O 3.2Å; F278-G281 VanDerWaalsContact CZ-CA 3.46Å; H279-G281 PolarHBondContact O-N 2.81Å; H279-G281 VanDerWaalsContact O-N 3.1Å
282	D	59.9	Low	81.2	Confident	79 Å²	79	30.7 Å²	30.7	42%	0.422	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.4	175.9	-68.3	-55.4	0	0	0	111.5	K203 F278 H279	K203-D282 VanDerWaalsContact NZ-CG 3.34Å; K203-D282 IonicContact NZ-OD1 3.01Å; K203-D282 PolarHBondContact NZ-OD1 2.93Å; K203-D282 IonicContact NZ-OD2 3.08Å; K203-D282 PolarHBondContact NZ-OD2 2.99Å; F278-D282 WeakPolarHBondContact CD2-O 3.43Å; H279-D282 PolarHBondContact N-O 2.85Å; H279-D282 PolarHBondContact O-N 2.02Å
283	W	72	Confident	81.6	Confident	48 Å²	48	33.8 Å²	33.8	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.2	171.9	-76.7	97.3	0	0	0	110.8	Y257 V261 R263 E276 V277 F278	Y257-W283 HydrophobicContact CD1-CZ2 4.08Å; Y257-W283 AromaticContact CD2-CE2 3.97Å; Y257-W283 AromaticContact CD2-CZ2 3.66Å; Y257-W283 HydrophobicContact CD2-CZ2 3.66Å; Y257-W283 AromaticContact CD2-NE1 3.76Å; Y257-W283 HydrophobicContact CE1-CZ2 4.14Å; Y257-W283 AromaticContact CE2-CZ2 3.73Å; Y257-W283 HydrophobicContact CE2-CZ2 3.73Å; Y257-W283 AromaticContact CE2-NE1 3.71Å; Y257-W283 AromaticContact CG-CZ2 3.83Å; Y257-W283 HydrophobicContact CG-CZ2 3.83Å; Y257-W283 AromaticContact CZ-CZ2 3.96Å; V261-W283 HydrophobicContact CG1-CH2 4.16Å; V261-W283 WeakPolarHBondContact O-CZ3 3.31Å; R263-W283 HydrophobicContact CB-CH2 3.86Å; R263-W283 HydrophobicContact CB-CZ3 3.99Å; R263-W283 HydrophobicContact CG-CE3 3.92Å; R263-W283 HydrophobicContact CG-CH2 3.76Å; R263-W283 HydrophobicContact CG-CZ2 4.39Å; R263-W283 HydrophobicContact CG-CZ3 3.5Å; E276-W283 HydrophobicContact CB-CE3 4.06Å; E276-W283 WeakPolarHBondContact O-CZ3 3.16Å; V277-W283 VanDerWaalsContact C-CE3 3.42Å; F278-W283 HydrophobicContact CB-CD2 4.12Å; F278-W283 HydrophobicContact CB-CE3 4Å; F278-W283 HydrophobicContact CB-CH2 4.06Å; F278-W283 HydrophobicContact CB-CZ2 4.17Å; F278-W283 HydrophobicContact CB-CZ3 3.96Å; F278-W283 AromaticContact CD2-CD1 3.72Å; F278-W283 AromaticContact CD2-CD2 3.88Å; F278-W283 HydrophobicContact CD2-CD2 3.88Å; F278-W283 AromaticContact CD2-CE2 3.73Å; F278-W283 AromaticContact CD2-CG 3.9Å; F278-W283 HydrophobicContact CD2-CG 3.9Å; F278-W283 HydrophobicContact CD2-CZ2 4.34Å; F278-W283 AromaticContact CD2-NE1 3.61Å
284	G	81.3	Confident	81.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	169	172.4	0	0	0	0	0	112.8	E276 V277 L323	E276-G284 CarbonylContact C-O 3.56Å; E276-G284 VanDerWaalsContact CA-O 3.25Å; E276-G284 WeakPolarHBondContact CA-O 3.3Å; V277-G284 PolarHBondContact N-O 3.46Å; V277-G284 PolarHBondContact O-N 2.93Å; G284-L323 CarbonylContact C-O 3.57Å; G284-L323 WeakPolarHBondContact CA-O 3.25Å
285	T	89.4	Confident	82	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	175.9	-174.1	56.4	0	0	0	0	112.2	R274 E276 L323 I324 L325 L326 H353 D356	R274-T285 HydrophobicContact CG-CG2 4.39Å; E276-T285 HydrophobicContact CG-CG2 3.82Å; T285-L323 PolarHBondContact N-O 2.9Å; T285-I324 WeakPolarHBondContact OG1-CG1 3.04Å; T285-L325 PolarHBondContact O-N 2.59Å; T285-L326 PolarHBondContact O-N 2.82Å; T285-H353 PolarHBondContact OG1-ND1 2.71Å; T285-D356 WeakPolarHBondContact CB-OD1 3.45Å; T285-D356 HydrophobicContact CG2-CB 4.41Å; T285-D356 PolarHBondContact OG1-OD1 2.8Å
286	V	92.9	Very high	82	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.3	177.7	-173.3	0	0	0	0	108.4	V275 V277 W291 L326 V329 L338 V357	V275-V286 HydrophobicContact CG1-CG2 3.98Å; V277-V286 HydrophobicContact CB-CG2 4.35Å; V277-V286 HydrophobicContact CG1-CG2 3.97Å; V286-W291 HydrophobicContact CB-CZ2 4.49Å; V286-W291 HydrophobicContact CG1-CZ2 3.75Å; V286-L326 WeakPolarHBondContact CA-O 3.46Å; V286-L326 HydrophobicContact CB-CB 4.34Å; V286-L326 HydrophobicContact CG1-CB 3.75Å; V286-L326 HydrophobicContact CG2-CB 4.06Å; V286-L326 HydrophobicContact CG2-CD1 4.41Å; V286-V329 HydrophobicContact CG1-CG2 3.91Å; V286-L338 HydrophobicContact CG2-CD2 4.25Å; V286-V357 HydrophobicContact CB-CG1 4.02Å; V286-V357 HydrophobicContact CG1-CG1 4.38Å; V286-V357 WeakPolarHBondContact O-CG1 3.09Å; V286-V357 PolarHBondContact O-N 3.34Å
287	C	91.4	Very high	81.9	Confident	1 Å²	1	40 Å²	40	1%	0.007	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-68	146.4	177.2	-173	0	0	0	0	111.4	D289 W291 I324 L326 C351 E355	C287-D289 VanDerWaalsContact C-N 3.31Å; C287-W291 PolarHBondContact O-NE1 2.97Å; C287-I324 HydrophobicContact CB-CG2 4.34Å; C287-L326 PolarHBondContact N-O 3.41Å; C287-C351 HydrophobicContact CB-CB 3.72Å; C287-C351 WeakPolarHBondContact CB-SG 3.36Å; C287-C351 WeakPolarHBondContact SG-CB 3.24Å; C287-C351 CovalentContact SG-SG 2.03Å; C287-C351 PolarHBondContact SG-SG 3.1Å; C287-E355 CarbonylContact C-O 3.57Å; C287-E355 WeakPolarHBondContact CA-O 3.49Å
288	D	89.4	Confident	82.1	Confident	40 Å²	40	40 Å²	40	21%	0.214	20%	0.2	C	C	.	.			trans	-83.5	-1.5	177.9	81.5	-19.6	0	0	0	114.4	H290 W291 V313 E355 V357	D288-H290 PolarHBondContact O-N 3.18Å; D288-W291 VanDerWaalsContact O-CB 3.3Å; D288-W291 WeakPolarHBondContact O-CB 3.46Å; D288-W291 PolarHBondContact O-N 3.34Å; D288-V313 WeakPolarHBondContact OD2-CG1 3.13Å; D288-E355 PolarHBondContact N-O 3.35Å; D288-V357 HydrophobicContact CB-CB 3.55Å; D288-V357 HydrophobicContact CB-CG2 3.59Å
289	D	88.1	Confident	82.8	Confident	80 Å²	80	39.9 Å²	39.9	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	132.3	-179.9	-153.4	50.9	0	0	0	111.2	C287 W291	C287-D289 VanDerWaalsContact C-N 3.31Å; D289-W291 PolarHBondContact O-N 2.98Å; D289-W291 VanDerWaalsContact O-N 3.09Å
290	H	83.6	Confident	83.2	Confident	116 Å²	116	39.1 Å²	39.1	54%	0.537	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	9.4	-171.5	-58.2	81.8	0	0	0	116.9	D288	D288-H290 PolarHBondContact O-N 3.18Å
291	W	90.6	Very high	83.8	Confident	29 Å²	29	37.9 Å²	37.9	11%	0.11	18%	0.183	C	C	.	.			trans	-63.9	153.3	179.5	-90	64.3	0	0	0	114.2	V275 V286 C287 D288 D289 H295 V299 V311 L338 V357 V359	V275-W291 HydrophobicContact CG2-CH2 4.38Å; V286-W291 HydrophobicContact CB-CZ2 4.49Å; V286-W291 HydrophobicContact CG1-CZ2 3.75Å; C287-W291 PolarHBondContact O-NE1 2.97Å; D288-W291 VanDerWaalsContact O-CB 3.3Å; D288-W291 WeakPolarHBondContact O-CB 3.46Å; D288-W291 PolarHBondContact O-N 3.34Å; D289-W291 PolarHBondContact O-N 2.98Å; D289-W291 VanDerWaalsContact O-N 3.09Å; W291-H295 HydrophobicContact CD2-CB 3.66Å; W291-H295 HydrophobicContact CE3-CB 3.31Å; W291-H295 HydrophobicContact CG-CB 4.4Å; W291-H295 HydrophobicContact CH2-CB 3.95Å; W291-H295 HydrophobicContact CZ2-CB 4.26Å; W291-H295 HydrophobicContact CZ3-CB 3.48Å; W291-H295 VanDerWaalsContact CZ3-CB 3.48Å; W291-V299 HydrophobicContact CH2-CG2 3.8Å; W291-V299 HydrophobicContact CZ3-CG2 4.31Å; W291-V311 HydrophobicContact CB-CG1 4.26Å; W291-V311 HydrophobicContact CE3-CG2 4.18Å; W291-L338 HydrophobicContact CH2-CD1 4.14Å; W291-L338 HydrophobicContact CZ2-CD1 4.18Å; W291-L338 HydrophobicContact CZ2-CD2 4.42Å; W291-V357 HydrophobicContact CB-CG2 4.24Å; W291-V357 HydrophobicContact CD2-CB 4.28Å; W291-V357 HydrophobicContact CD2-CG1 4.07Å; W291-V357 HydrophobicContact CD2-CG2 3.66Å; W291-V357 HydrophobicContact CE3-CG1 4.25Å; W291-V357 HydrophobicContact CE3-CG2 3.69Å; W291-V357 HydrophobicContact CG-CG2 3.88Å; W291-V357 HydrophobicContact CH2-CG1 4.03Å; W291-V357 HydrophobicContact CZ2-CG1 3.8Å; W291-V357 HydrophobicContact CZ3-CG1 4.23Å; W291-V357 HydrophobicContact CZ3-CG2 4.33Å; W291-V359 HydrophobicContact CE3-CG1 4.43Å; W291-V359 HydrophobicContact CZ3-CG1 3.82Å
292	S	89.4	Confident	84.8	Confident	35 Å²	35	40.1 Å²	40.1	25%	0.245	19%	0.191	C	C	.	.			trans	-153.3	169.1	-175.6	83.9	0	0	0	0	111.1	Q294 H295 A296 V311	S292-Q294 PolarHBondContact O-N 3.02Å; S292-Q294 VanDerWaalsContact O-N 3.09Å; S292-Q294 PolarHBondContact OG-N 2.81Å; S292-H295 PolarHBondContact N-ND1 2.92Å; S292-H295 VanDerWaalsContact N-ND1 3.14Å; S292-H295 WeakPolarHBondContact O-CB 3.34Å; S292-H295 PolarHBondContact O-N 2.94Å; S292-H295 PolarHBondContact OG-ND1 3.47Å; S292-A296 PolarHBondContact O-N 2.77Å; S292-V311 VanDerWaalsContact C-CG2 3.46Å; S292-V311 VanDerWaalsContact O-CG2 3.27Å; S292-V311 WeakPolarHBondContact O-CG2 3.36Å
293	Q	87.9	Confident	84.9	Confident	91 Å²	91	38.9 Å²	38.9	43%	0.425	18%	0.184	S	C	.	.	H	α-helix	trans	-51	-34	175	174.6	169.9	-9.8	0	0	113.2	H295 A296 E297	Q293-H295 VanDerWaalsContact C-N 3.31Å; Q293-H295 PolarHBondContact O-N 2.73Å; Q293-A296 PolarHBondContact O-N 2.98Å; Q293-E297 HydrophobicContact CG-CG 4.14Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.36Å; Q293-E297 PolarHBondContact NE2-OE1 3.29Å; Q293-E297 WeakPolarHBondContact O-CB 3.43Å; Q293-E297 WeakPolarHBondContact O-CG 3.17Å; Q293-E297 PolarHBondContact O-N 3.1Å
294	Q	89.1	Confident	84	Confident	92 Å²	92	39 Å²	39	43%	0.43	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-35.3	180	-67.9	171	-68.9	0	0	112.4	S292 E297 V298 E332	S292-Q294 PolarHBondContact O-N 3.02Å; S292-Q294 VanDerWaalsContact O-N 3.09Å; S292-Q294 PolarHBondContact OG-N 2.81Å; Q294-E297 PolarHBondContact O-N 2.78Å; Q294-V298 WeakPolarHBondContact O-CG2 3.49Å; Q294-V298 PolarHBondContact O-N 3.48Å; Q294-V298 VanDerWaalsContact O-N 3.09Å; Q294-E332 PolarHBondContact NE2-O 3.06Å
295	H	92.1	Very high	83	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.032	22%	0.215	C	C	.	.	H	α-helix	trans	-69	-45.6	175.5	-57.2	92.4	0	0	0	111.2	W291 S292 Q293 E297 V298 V299 V329 H330 C331	W291-H295 HydrophobicContact CD2-CB 3.66Å; W291-H295 HydrophobicContact CE3-CB 3.31Å; W291-H295 HydrophobicContact CG-CB 4.4Å; W291-H295 HydrophobicContact CH2-CB 3.95Å; W291-H295 HydrophobicContact CZ2-CB 4.26Å; W291-H295 HydrophobicContact CZ3-CB 3.48Å; W291-H295 VanDerWaalsContact CZ3-CB 3.48Å; S292-H295 PolarHBondContact N-ND1 2.92Å; S292-H295 VanDerWaalsContact N-ND1 3.14Å; S292-H295 WeakPolarHBondContact O-CB 3.34Å; S292-H295 PolarHBondContact O-N 2.94Å; S292-H295 PolarHBondContact OG-ND1 3.47Å; Q293-H295 VanDerWaalsContact C-N 3.31Å; Q293-H295 PolarHBondContact O-N 2.73Å; H295-E297 VanDerWaalsContact C-N 3.3Å; H295-E297 PolarHBondContact O-N 2.99Å; H295-V298 PolarHBondContact O-N 3.11Å; H295-V299 PolarHBondContact O-N 2.86Å; H295-V329 PolarHBondContact NE2-O 2.87Å; H295-V329 VanDerWaalsContact NE2-O 3.16Å; H295-H330 VanDerWaalsContact NE2-CA 3.32Å; H295-H330 WeakPolarHBondContact NE2-CA 3.49Å; H295-C331 PolarHBondContact CD2-N 3.11Å; H295-C331 PolarHBondContact CD2-SG 2.04Å; H295-C331 PolarHBondContact NE2-N 3.33Å
296	A	90.6	Very high	81.6	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-35.9	173.9	0	0	0	0	0	112.1	S292 Q293 V299 C300 A309 V311 V359	S292-A296 PolarHBondContact O-N 2.77Å; Q293-A296 PolarHBondContact O-N 2.98Å; A296-V299 PolarHBondContact O-N 3Å; A296-C300 VanDerWaalsContact O-CB 3.23Å; A296-C300 WeakPolarHBondContact O-CB 3.45Å; A296-C300 PolarHBondContact O-N 3.01Å; A296-C300 PolarHBondContact O-SG 3.4Å; A296-A309 HydrophobicContact CB-CB 3.62Å; A296-A309 WeakPolarHBondContact O-CB 3.19Å; A296-V311 HydrophobicContact CB-CG2 3.91Å; A296-V359 HydrophobicContact CB-CB 4.32Å; A296-V359 HydrophobicContact CB-CG1 3.75Å
297	E	87	Confident	80.3	Confident	63 Å²	63	52.3 Å²	52.3	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-67.2	-34.9	175.4	-77	179.6	179.5	0	0	112.5	Q293 Q294 H295 R301 A309	Q293-E297 HydrophobicContact CG-CG 4.14Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.36Å; Q293-E297 PolarHBondContact NE2-OE1 3.29Å; Q293-E297 WeakPolarHBondContact O-CB 3.43Å; Q293-E297 WeakPolarHBondContact O-CG 3.17Å; Q293-E297 PolarHBondContact O-N 3.1Å; Q294-E297 PolarHBondContact O-N 2.78Å; H295-E297 VanDerWaalsContact C-N 3.3Å; H295-E297 PolarHBondContact O-N 2.99Å; E297-R301 WeakPolarHBondContact O-CB 3.07Å; E297-R301 PolarHBondContact O-N 2.71Å; E297-A309 HydrophobicContact CB-CB 4.4Å; E297-A309 HydrophobicContact CG-CB 3.79Å
298	V	88.4	Confident	79.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-51.7	170.8	172.5	0	0	0	0	110.7	Q294 H295 C300 R301 Q302 C331 E335	Q294-V298 WeakPolarHBondContact O-CG2 3.49Å; Q294-V298 PolarHBondContact O-N 3.48Å; Q294-V298 VanDerWaalsContact O-N 3.09Å; H295-V298 PolarHBondContact O-N 3.11Å; V298-C300 PolarHBondContact O-N 2.71Å; V298-R301 PolarHBondContact O-N 3.16Å; V298-Q302 WeakPolarHBondContact O-CB 3.16Å; V298-Q302 PolarHBondContact O-N 3.36Å; V298-C331 HydrophobicContact CG2-CB 3.99Å; V298-E335 HydrophobicContact CG1-CB 4.06Å; V298-E335 HydrophobicContact CG2-CB 3.87Å
299	V	84.5	Confident	79.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-49.1	179	170.1	0	0	0	0	111.7	V262 L264 V275 W291 H295 A296 R301 Q302 L303 L338 V359	V262-V299 HydrophobicContact CG1-CG1 3.85Å; L264-V299 HydrophobicContact CD2-CG1 4.29Å; V275-V299 HydrophobicContact CG1-CG2 4.3Å; V275-V299 HydrophobicContact CG2-CG1 4.36Å; W291-V299 HydrophobicContact CH2-CG2 3.8Å; W291-V299 HydrophobicContact CZ3-CG2 4.31Å; H295-V299 PolarHBondContact O-N 2.86Å; A296-V299 PolarHBondContact O-N 3Å; V299-R301 VanDerWaalsContact C-N 3.32Å; V299-R301 PolarHBondContact O-N 2.93Å; V299-Q302 PolarHBondContact O-N 3.02Å; V299-L303 HydrophobicContact CG1-CD1 3.7Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CB 3.2Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 2.89Å; V299-L338 HydrophobicContact CG2-CD1 4.04Å; V299-L338 HydrophobicContact CG2-CD2 4.18Å; V299-V359 HydrophobicContact CG1-CG2 4.03Å
300	C	80.7	Confident	79.3	Confident	7 Å²	7	52.6 Å²	52.6	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-39.9	178.6	-71.4	0	0	0	0	112.1	A296 V298 L303 G304 Y305 A309 C361	A296-C300 VanDerWaalsContact O-CB 3.23Å; A296-C300 WeakPolarHBondContact O-CB 3.45Å; A296-C300 PolarHBondContact O-N 3.01Å; A296-C300 PolarHBondContact O-SG 3.4Å; V298-C300 PolarHBondContact O-N 2.71Å; C300-L303 PolarHBondContact O-N 3.15Å; C300-G304 PolarHBondContact O-N 3Å; C300-Y305 WeakPolarHBondContact O-CA 3.36Å; C300-Y305 WeakPolarHBondContact O-CB 3.39Å; C300-Y305 PolarHBondContact O-N 3.35Å; C300-A309 HydrophobicContact CB-CB 4.05Å; C300-A309 VanDerWaalsContact SG-CB 3.51Å; C300-C361 VanDerWaalsContact CA-SG 3.51Å; C300-C361 HydrophobicContact CB-CB 3.79Å; C300-C361 WeakPolarHBondContact CB-SG 3.42Å; C300-C361 WeakPolarHBondContact SG-CA 3.34Å; C300-C361 WeakPolarHBondContact SG-CB 3.33Å; C300-C361 CovalentContact SG-SG 2.03Å; C300-C361 PolarHBondContact SG-SG 2.97Å
301	R	77.3	Confident	79.7	Confident	99 Å²	99	49 Å²	49	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-65.9	-41.6	175.1	174.9	168.3	59.4	-129.6	-1.1	112.1	E297 V298 V299 L303 G304 G333 E335	E297-R301 WeakPolarHBondContact O-CB 3.07Å; E297-R301 PolarHBondContact O-N 2.71Å; V298-R301 PolarHBondContact O-N 3.16Å; V299-R301 VanDerWaalsContact C-N 3.32Å; V299-R301 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; R301-G304 WeakPolarHBondContact O-CA 3.25Å; R301-G304 PolarHBondContact O-N 2.89Å; R301-G333 PolarHBondContact NH1-O 3.01Å; R301-G333 VanDerWaalsContact NH2-C 3.32Å; R301-G333 PolarHBondContact NH2-O 2.85Å; R301-E335 VanDerWaalsContact CZ-O 3.32Å; R301-E335 PolarHBondContact NE-O 2.97Å; R301-E335 VanDerWaalsContact NE-O 3.12Å; R301-E335 PolarHBondContact NH2-O 2.82Å
302	Q	75.8	Confident	79.5	Confident	54 Å²	54	48 Å²	48	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-37.5	177.3	-173.6	-179.1	-7	0	0	111.6	G260 V298 V299 G304 S337	G260-Q302 PolarHBondContact O-NE2 3.17Å; V298-Q302 WeakPolarHBondContact O-CB 3.16Å; V298-Q302 PolarHBondContact O-N 3.36Å; V299-Q302 PolarHBondContact O-N 3.02Å; Q302-G304 PolarHBondContact O-N 3.48Å; Q302-S337 PolarHBondContact NE2-OG 3.02Å
303	L	61.5	Low	78.4	Confident	53 Å²	53	49.9 Å²	49.9	28%	0.277	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.9	172.4	-65.8	167.8	0	0	0	113.8	V262 L264 V299 C300 R301 Y305	V262-L303 WeakPolarHBondContact O-CD2 3.02Å; L264-L303 HydrophobicContact CD1-CD1 3.75Å; L264-L303 HydrophobicContact CD2-CD1 3.92Å; L264-L303 HydrophobicContact CG-CD1 3.6Å; V299-L303 HydrophobicContact CG1-CD1 3.7Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CB 3.2Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 2.89Å; C300-L303 PolarHBondContact O-N 3.15Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; L303-Y305 VanDerWaalsContact C-N 3.31Å; L303-Y305 HydrophobicContact CB-CD2 3.65Å; L303-Y305 HydrophobicContact CB-CE2 3.78Å; L303-Y305 HydrophobicContact CD1-CD2 4.48Å; L303-Y305 HydrophobicContact CD1-CE2 4.38Å; L303-Y305 PolarHBondContact O-N 3.28Å
304	G	53.8	Low	77.3	Confident	51 Å²	51	52.8 Å²	52.8	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-1.1	178.3	0	0	0	0	0	115.6	C300 R301 Q302	C300-G304 PolarHBondContact O-N 3Å; R301-G304 WeakPolarHBondContact O-CA 3.25Å; R301-G304 PolarHBondContact O-N 2.89Å; Q302-G304 PolarHBondContact O-N 3.48Å
305	Y	59.1	Low	76.2	Confident	81 Å²	81	49.8 Å²	49.8	32%	0.318	27%	0.269	S	S	.	.			trans	-72.9	146.8	176.5	-60.8	-63.9	0	0	0	112	P270 W271 C300 L303 C361	P270-Y305 PolarHBondContact O-OH 3.31Å; P270-Y305 VanDerWaalsContact O-OH 3.08Å; W271-Y305 HydrophobicContact CB-CD1 4.16Å; W271-Y305 HydrophobicContact CB-CD2 4.43Å; W271-Y305 HydrophobicContact CB-CE1 3.81Å; W271-Y305 HydrophobicContact CB-CE2 4.08Å; W271-Y305 HydrophobicContact CB-CG 4.49Å; C300-Y305 WeakPolarHBondContact O-CA 3.36Å; C300-Y305 WeakPolarHBondContact O-CB 3.39Å; C300-Y305 PolarHBondContact O-N 3.35Å; L303-Y305 VanDerWaalsContact C-N 3.31Å; L303-Y305 HydrophobicContact CB-CD2 3.65Å; L303-Y305 HydrophobicContact CB-CE2 3.78Å; L303-Y305 HydrophobicContact CD1-CD2 4.48Å; L303-Y305 HydrophobicContact CD1-CE2 4.38Å; L303-Y305 PolarHBondContact O-N 3.28Å; Y305-C361 HydrophobicContact CD2-CB 3.92Å; Y305-C361 HydrophobicContact CG-CB 3.84Å
306	R	61.2	Low	75.4	Confident	150 Å²	150	55.6 Å²	55.6	57%	0.566	30%	0.298	S	S	*	.			trans	-130	121.2	-179.6	-60.5	177.6	-177.7	176.7	-2.4	109.5	A376 P377 S378	R306-A376 PolarHBondContact NH1-O 3.15Å; R306-P377 PolarHBondContact NH2-O 2.87Å; R306-S378 PolarHBondContact NH2-OG 3.03Å
307	G	64.7	Low	74.9	Confident	49 Å²	49	56.6 Å²	56.6	51%	0.505	30%	0.302	S	S	.	.	S	Bend	trans	157.2	-148.5	-179	0	0	0	0	0	112.9	R362	G307-R362 CarbonylContact C-O 3.59Å; G307-R362 WeakPolarHBondContact CA-O 3.37Å
308	H	73.5	Confident	74.5	Confident	87 Å²	87	55.4 Å²	55.4	40%	0.403	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.4	171.9	-179.1	-74.3	0	0	0	108.6	R362	H308-R362 PolarHBondContact N-O 2.86Å; H308-R362 PolarHBondContact O-N 3.23Å
309	A	86.6	Confident	74.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.1	169.3	0	0	0	0	0	109.9	A296 E297 C300	A296-A309 HydrophobicContact CB-CB 3.62Å; A296-A309 WeakPolarHBondContact O-CB 3.19Å; E297-A309 HydrophobicContact CB-CB 4.4Å; E297-A309 HydrophobicContact CG-CB 3.79Å; C300-A309 HydrophobicContact CB-CB 4.05Å; C300-A309 VanDerWaalsContact SG-CB 3.51Å
310	E	88.9	Confident	73.8	Confident	40 Å²	40	62.2 Å²	62.2	19%	0.187	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.5	172.7	61.6	-166.7	-139.9	0	0	109.8	V359 R360 R362	E310-V359 CarbonylContact O-C 3.55Å; E310-V359 WeakPolarHBondContact O-CA 3.46Å; E310-R360 HydrophobicContact CG-CB 3.77Å; E310-R360 HydrophobicContact CG-CG 4.38Å; E310-R360 PolarHBondContact N-O 2.84Å; E310-R360 PolarHBondContact O-N 2.71Å; E310-R360 WeakPolarHBondContact OE1-CD 3.45Å; E310-R360 IonicContact OE1-CZ 3.16Å; E310-R360 IonicContact OE1-NE 3.92Å; E310-R360 IonicContact OE1-NH1 3.55Å; E310-R360 PolarHBondContact OE1-NH1 3.03Å; E310-R362 VanDerWaalsContact CD-NH1 3.26Å; E310-R362 IonicContact OE1-CZ 2.95Å; E310-R362 IonicContact OE1-NE 2.98Å; E310-R362 IonicContact OE1-NH1 2.81Å; E310-R362 PolarHBondContact OE1-NH1 3.07Å; E310-R362 WeakPolarHBondContact OE2-CD 3.19Å; E310-R362 IonicContact OE2-CZ 3.88Å; E310-R362 IonicContact OE2-NE 3.91Å; E310-R362 IonicContact OE2-NH1 3.26Å; E310-R362 PolarHBondContact OE2-NH1 2.97Å
311	V	91.1	Very high	73.4	Confident	40 Å²	40	67.8 Å²	67.8	24%	0.242	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.9	168.5	-176.8	0	0	0	0	107.9	W291 S292 A296 V313 V357	W291-V311 HydrophobicContact CB-CG1 4.26Å; W291-V311 HydrophobicContact CE3-CG2 4.18Å; S292-V311 VanDerWaalsContact C-CG2 3.46Å; S292-V311 VanDerWaalsContact O-CG2 3.27Å; S292-V311 WeakPolarHBondContact O-CG2 3.36Å; A296-V311 HydrophobicContact CB-CG2 3.91Å; V311-V313 HydrophobicContact CG1-CG1 4.2Å; V311-V357 HydrophobicContact CG1-CG2 3.79Å
312	V	86.5	Confident	73.4	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	91.8	178.8	-176.7	0	0	0	0	107.9	M316 F317 G358 R360	V312-M316 HydrophobicContact CG1-CB 3.9Å; V312-M316 HydrophobicContact CG1-CE 3.69Å; V312-F317 HydrophobicContact CB-CE2 3.77Å; V312-F317 HydrophobicContact CB-CZ 4.43Å; V312-F317 HydrophobicContact CG1-CD2 4.41Å; V312-F317 HydrophobicContact CG1-CE2 3.76Å; V312-F317 HydrophobicContact CG1-CZ 4.2Å; V312-F317 HydrophobicContact CG2-CE2 3.96Å; V312-F317 HydrophobicContact CG2-CZ 4.23Å; V312-G358 PolarHBondContact N-O 2.94Å; V312-G358 VanDerWaalsContact O-CA 3.32Å; V312-G358 WeakPolarHBondContact O-CA 3.25Å; V312-G358 PolarHBondContact O-N 3.44Å; V312-G358 VanDerWaalsContact O-N 3.16Å; V312-R360 HydrophobicContact CG2-CB 4.11Å
313	V	66.4	Low	73.4	Confident	75 Å²	75	68.1 Å²	68.1	46%	0.455	40%	0.4	S	S	.	.			trans	-75	178.1	165.7	-60	0	0	0	0	110.2	D288 V311	D288-V313 WeakPolarHBondContact OD2-CG1 3.13Å; V311-V313 HydrophobicContact CG1-CG1 4.2Å
314	D	64.7	Low	74.5	Confident	152 Å²	152	66.5 Å²	66.5	81%	0.813	39%	0.391	S	S	*	.	S	Bend	trans	70.4	23.6	-174	-54.6	-26.8	0	0	0	115.5	M316	D314-M316 PolarHBondContact O-N 3.08Å
315	G	64.9	Low	76	Confident	30 Å²	30	64.6 Å²	64.6	31%	0.309	37%	0.369	S	S	.	.			trans	59	24.3	167.6	0	0	0	0	0	115.6	F317 G318	G315-F317 PolarHBondContact O-N 2.69Å; G315-G318 WeakPolarHBondContact O-CA 3.33Å; G315-G318 PolarHBondContact O-N 3.35Å
316	M	75.6	Confident	77.5	Confident	128 Å²	128	60.9 Å²	60.9	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	-163.2	-136.1	-161.2	-58.7	0	0	115.2	V312 D314	V312-M316 HydrophobicContact CG1-CB 3.9Å; V312-M316 HydrophobicContact CG1-CE 3.69Å; D314-M316 PolarHBondContact O-N 3.08Å
317	F	80.2	Confident	79	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.096	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	12.4	178.2	-53.2	-60.3	0	0	0	113	E272 G273 R274 V312 G315	E272-F317 HydrophobicContact CB-CE1 4.11Å; E272-F317 HydrophobicContact CB-CZ 3.8Å; E272-F317 HydrophobicContact CG-CE1 3.71Å; E272-F317 HydrophobicContact CG-CZ 3.94Å; G273-F317 WeakPolarHBondContact O-CD2 3.05Å; R274-F317 HydrophobicContact CB-CB 4.26Å; R274-F317 PolarHBondContact NH1-O 2.04Å; V312-F317 HydrophobicContact CB-CE2 3.77Å; V312-F317 HydrophobicContact CB-CZ 4.43Å; V312-F317 HydrophobicContact CG1-CD2 4.41Å; V312-F317 HydrophobicContact CG1-CE2 3.76Å; V312-F317 HydrophobicContact CG1-CZ 4.2Å; V312-F317 HydrophobicContact CG2-CE2 3.96Å; V312-F317 HydrophobicContact CG2-CZ 4.23Å; G315-F317 PolarHBondContact O-N 2.69Å
318	G	78.9	Confident	80.1	Confident	37 Å²	37	56.6 Å²	56.6	38%	0.381	33%	0.331	S	S	.	.			trans	83.1	154.3	-174.3	0	0	0	0	0	113.2	R274 G315	R274-G318 PolarHBondContact NH1-O 2.98Å; G315-G318 WeakPolarHBondContact O-CA 3.33Å; G315-G318 PolarHBondContact O-N 3.35Å
319	E	83.3	Confident	81	Confident	136 Å²	136	52.5 Å²	52.5	64%	0.636	31%	0.312	S	S	*	.			trans	-60.9	147.3	166.8	-62.7	178.3	-170.8	0	0	110.3	R274 H353	R274-E319 PolarHBondContact NH1-O 2.7Å; R274-E319 VanDerWaalsContact NH1-O 3.13Å; E319-H353 HydrophobicContact CB-CB 4.1Å
320	G	75.1	Confident	81.2	Confident	7 Å²	7	56.8 Å²	56.8	7%	0.072	33%	0.332	C	S	.	.			trans	-81.4	-171.9	171.6	0	0	0	0	0	113.4	D356	G320-D356 VanDerWaalsContact CA-OD2 3.26Å; G320-D356 WeakPolarHBondContact CA-OD2 3.42Å; G320-D356 PolarHBondContact N-OD2 3.49Å
321	V	73	Confident	81.3	Confident	125 Å²	125	55.3 Å²	55.3	76%	0.758	33%	0.326	S	S	*	.			trans	-143.9	143.4	177	-67.7	0	0	0	0	110.5
322	G	77.4	Confident	81.1	Confident	66 Å²	66	59 Å²	59	68%	0.68	34%	0.341	S	S	*	.	S	Bend	trans	104.6	-111.5	172.5	0	0	0	0	0	112.8	H353	G322-H353 PolarHBondContact N-NE2 2.95Å
323	L	75.9	Confident	80.8	Confident	94 Å²	94	59.3 Å²	59.3	49%	0.492	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.3	-178.2	-62.3	177.8	0	0	0	110.6	G284 T285 L325	G284-L323 CarbonylContact C-O 3.57Å; G284-L323 WeakPolarHBondContact CA-O 3.25Å; T285-L323 PolarHBondContact N-O 2.9Å; L323-L325 HydrophobicContact CB-CD2 4.06Å; L323-L325 HydrophobicContact CB-CG 4.11Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å
324	I	84.8	Confident	81.5	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.092	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.9	158	-54.3	170.4	0	0	0	105.3	T285 C287 T349 C351	T285-I324 WeakPolarHBondContact OG1-CG1 3.04Å; C287-I324 HydrophobicContact CB-CG2 4.34Å; I324-T349 HydrophobicContact CB-CG2 3.81Å; I324-T349 HydrophobicContact CD1-CG2 4.03Å; I324-T349 HydrophobicContact CG1-CG2 4.49Å; I324-T349 HydrophobicContact CG2-CG2 3.94Å; I324-C351 HydrophobicContact CD1-CB 4.37Å
325	L	84.8	Confident	82.6	Confident	12 Å²	12	54 Å²	54	6%	0.063	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-37	-169.3	-78.7	176.1	0	0	0	113.3	V277 H279 T285 L323 W346 G347	V277-L325 HydrophobicContact CG1-CB 3.96Å; V277-L325 HydrophobicContact CG1-CD1 4.29Å; H279-L325 HydrophobicContact CB-CD1 4.24Å; T285-L325 PolarHBondContact O-N 2.59Å; L323-L325 HydrophobicContact CB-CD2 4.06Å; L323-L325 HydrophobicContact CB-CG 4.11Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å; L325-W346 HydrophobicContact CB-CE3 4.05Å; L325-W346 HydrophobicContact CB-CZ3 4.01Å; L325-W346 WeakPolarHBondContact O-CA 3.24Å; L325-G347 PolarHBondContact O-N 2.92Å
326	L	90.4	Very high	83	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145	178.2	-71.4	176.1	0	0	0	111.8	V277 T285 V286 C287 V329 L338 H343 W346	V277-L326 HydrophobicContact CB-CD1 4.45Å; V277-L326 HydrophobicContact CG1-CD1 3.99Å; V277-L326 HydrophobicContact CG1-CG 4.12Å; V277-L326 HydrophobicContact CG2-CD1 4.27Å; T285-L326 PolarHBondContact O-N 2.82Å; V286-L326 WeakPolarHBondContact CA-O 3.46Å; V286-L326 HydrophobicContact CB-CB 4.34Å; V286-L326 HydrophobicContact CG1-CB 3.75Å; V286-L326 HydrophobicContact CG2-CB 4.06Å; V286-L326 HydrophobicContact CG2-CD1 4.41Å; C287-L326 PolarHBondContact N-O 3.41Å; L326-V329 HydrophobicContact CB-CG2 4.11Å; L326-L338 HydrophobicContact CD1-CD2 3.96Å; L326-L338 HydrophobicContact CD1-CG 4.21Å; L326-H343 HydrophobicContact CD2-CB 4.02Å; L326-W346 HydrophobicContact CD1-CH2 4.17Å; L326-W346 HydrophobicContact CD1-CZ3 4.22Å; L326-W346 HydrophobicContact CD2-CD2 4.06Å; L326-W346 HydrophobicContact CD2-CE3 3.7Å; L326-W346 HydrophobicContact CD2-CH2 3.73Å; L326-W346 HydrophobicContact CD2-CZ2 4.07Å; L326-W346 HydrophobicContact CD2-CZ3 3.53Å; L326-W346 HydrophobicContact CG-CE3 4.09Å; L326-W346 HydrophobicContact CG-CH2 3.96Å; L326-W346 HydrophobicContact CG-CZ3 3.56Å
327	D	91.5	Very high	83.1	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.07	32%	0.315	C	S	.	.			trans	-153.3	169.7	-179	-164.8	2.6	0	0	0	108.3	V329 G344 T349	D327-V329 PolarHBondContact O-N 2.97Å; D327-V329 VanDerWaalsContact O-N 3.08Å; D327-G344 PolarHBondContact O-N 3.03Å; D327-T349 VanDerWaalsContact CG-OG1 3.29Å; D327-T349 WeakPolarHBondContact OD2-CA 3.38Å; D327-T349 WeakPolarHBondContact OD2-CB 3.43Å; D327-T349 PolarHBondContact OD2-OG1 3.49Å
328	D	88.7	Confident	83.3	Confident	96 Å²	96	51.6 Å²	51.6	51%	0.513	31%	0.311	S	S	.	.	S	Bend	trans	54.1	29.6	178	-108.5	-29.1	0	0	0	112.8
329	V	91.4	Very high	83.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	31%	0.306	C	S	.	.			trans	-70.9	134.5	-171.3	-167.3	0	0	0	0	110.4	V286 H295 L326 D327 L338 C341 R342 H343	V286-V329 HydrophobicContact CG1-CG2 3.91Å; H295-V329 PolarHBondContact NE2-O 2.87Å; H295-V329 VanDerWaalsContact NE2-O 3.16Å; L326-V329 HydrophobicContact CB-CG2 4.11Å; D327-V329 PolarHBondContact O-N 2.97Å; D327-V329 VanDerWaalsContact O-N 3.08Å; V329-L338 HydrophobicContact CG1-CD1 3.99Å; V329-C341 HydrophobicContact CG1-CB 4.28Å; V329-R342 CarbonylContact C-O 3.12Å; V329-R342 WeakPolarHBondContact CA-O 3.17Å; V329-H343 HydrophobicContact CG2-CB 4.3Å
330	H	92	Very high	83.5	Confident	91 Å²	91	50.1 Å²	50.1	42%	0.421	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-143.1	93	-176.6	-98.4	59.6	0	0	0	111.2	H295 R342	H295-H330 VanDerWaalsContact NE2-CA 3.32Å; H295-H330 WeakPolarHBondContact NE2-CA 3.49Å; H330-R342 HydrophobicContact CB-CB 4.27Å; H330-R342 PolarHBondContact N-O 2.87Å; H330-R342 PolarHBondContact O-N 3.44Å; H330-R342 VanDerWaalsContact O-N 3.09Å
331	C	90.4	Very high	84.2	Confident	9 Å²	9	50 Å²	50	6%	0.061	30%	0.296	C	S	.	.			trans	-93.8	142	172.5	-59.1	0	0	0	0	111.9	H295 V298 G333 E335 C341	H295-C331 PolarHBondContact CD2-N 3.11Å; H295-C331 PolarHBondContact CD2-SG 2.04Å; H295-C331 PolarHBondContact NE2-N 3.33Å; V298-C331 HydrophobicContact CG2-CB 3.99Å; C331-G333 VanDerWaalsContact C-N 3.34Å; C331-E335 WeakPolarHBondContact CA-OE1 3.14Å; C331-C341 VanDerWaalsContact CA-SG 3.55Å; C331-C341 HydrophobicContact CB-CB 3.94Å; C331-C341 WeakPolarHBondContact CB-SG 3.01Å; C331-C341 WeakPolarHBondContact SG-CB 3.37Å; C331-C341 CovalentContact SG-SG 2.03Å; C331-C341 PolarHBondContact SG-SG 3.24Å
332	E	87.5	Confident	85.1	Confident	118 Å²	118	51.6 Å²	51.6	55%	0.551	29%	0.289	S	S	*	.			trans	-83.8	-11.7	169.9	-60.4	-173	-176.9	0	0	112.2	Q294 E335 R342	Q294-E332 PolarHBondContact NE2-O 3.06Å; E332-E335 VanDerWaalsContact N-CD 3.35Å; E332-E335 PolarHBondContact N-OE1 3.19Å; E332-E335 PolarHBondContact N-OE2 3.27Å; E332-R342 IonicContact OE1-CZ 3.09Å; E332-R342 IonicContact OE1-NH1 2.73Å; E332-R342 IonicContact OE1-NH2 2.69Å; E332-R342 PolarHBondContact OE1-NH2 3.07Å
333	G	79.9	Confident	85.8	Confident	14 Å²	14	51.3 Å²	51.3	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	95.4	5	177.4	0	0	0	0	0	114.2	R301 C331 E335	R301-G333 PolarHBondContact NH1-O 3.01Å; R301-G333 VanDerWaalsContact NH2-C 3.32Å; R301-G333 PolarHBondContact NH2-O 2.85Å; C331-G333 VanDerWaalsContact C-N 3.34Å; G333-E335 PolarHBondContact N-OE2 3.32Å
334	S	81	Confident	86.2	Confident	94 Å²	94	47.7 Å²	47.7	66%	0.657	26%	0.255	S	S	*	.			trans	-107.9	-10.6	-178.9	70	0	0	0	0	114.3
335	E	87.5	Confident	86.1	Confident	22 Å²	22	52.3 Å²	52.3	10%	0.103	28%	0.278	C	S	.	.			trans	-63	145.1	-175.3	-70.8	89.3	162.2	0	0	113.9	V298 R301 C331 E332 G333 D340 C341	V298-E335 HydrophobicContact CG1-CB 4.06Å; V298-E335 HydrophobicContact CG2-CB 3.87Å; R301-E335 VanDerWaalsContact CZ-O 3.32Å; R301-E335 PolarHBondContact NE-O 2.97Å; R301-E335 VanDerWaalsContact NE-O 3.12Å; R301-E335 PolarHBondContact NH2-O 2.82Å; C331-E335 WeakPolarHBondContact CA-OE1 3.14Å; E332-E335 VanDerWaalsContact N-CD 3.35Å; E332-E335 PolarHBondContact N-OE1 3.19Å; E332-E335 PolarHBondContact N-OE2 3.27Å; G333-E335 PolarHBondContact N-OE2 3.32Å; E335-D340 HydrophobicContact CB-CB 3.88Å; E335-D340 HydrophobicContact CG-CB 3.81Å; E335-C341 HydrophobicContact CG-CB 4.47Å
336	T	73.3	Confident	86.1	Confident	107 Å²	107	55.1 Å²	55.1	66%	0.656	29%	0.288	S	S	*	.	S	Bend	trans	-87.1	-28.2	-179.6	26.6	0	0	0	0	113.2	D340	T336-D340 WeakPolarHBondContact CA-OD2 3.34Å; T336-D340 WeakPolarHBondContact CB-OD2 3.17Å; T336-D340 PolarHBondContact N-OD2 3.43Å; T336-D340 PolarHBondContact OG1-OD2 2.96Å
337	S	79.1	Confident	85.7	Confident	22 Å²	22	57.2 Å²	57.2	15%	0.154	31%	0.31	C	S	.	.	S	Bend	trans	-134	154.6	175.6	176.2	0	0	0	0	110.2	Q302 L339 D340	Q302-S337 PolarHBondContact NE2-OG 3.02Å; S337-L339 PolarHBondContact O-N 2.86Å; S337-L339 VanDerWaalsContact O-N 3.13Å; S337-L339 PolarHBondContact OG-N 2.92Å; S337-D340 PolarHBondContact N-OD2 2.95Å; S337-D340 WeakPolarHBondContact O-CB 3.46Å; S337-D340 PolarHBondContact O-N 2.88Å
338	L	84.1	Confident	85.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	169.5	-163.8	62.8	0	0	0	112.5	V262 V275 V286 W291 V299 L326 V329 C341	V262-L338 HydrophobicContact CG2-CB 4.25Å; V262-L338 HydrophobicContact CG2-CD2 4.28Å; V275-L338 HydrophobicContact CG1-CD2 4.4Å; V286-L338 HydrophobicContact CG2-CD2 4.25Å; W291-L338 HydrophobicContact CH2-CD1 4.14Å; W291-L338 HydrophobicContact CZ2-CD1 4.18Å; W291-L338 HydrophobicContact CZ2-CD2 4.42Å; V299-L338 HydrophobicContact CG2-CD1 4.04Å; V299-L338 HydrophobicContact CG2-CD2 4.18Å; L326-L338 HydrophobicContact CD1-CD2 3.96Å; L326-L338 HydrophobicContact CD1-CG 4.21Å; V329-L338 HydrophobicContact CG1-CD1 3.99Å; L338-C341 WeakPolarHBondContact O-CB 3.34Å
339	L	81.1	Confident	85.2	Confident	53 Å²	53	62.8 Å²	62.8	28%	0.277	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.4	172.7	-61	-162.7	0	0	0	115.2	D259 G260 S337 C341 W346	D259-L339 HydrophobicContact CB-CD1 4.4Å; G260-L339 VanDerWaalsContact CA-CD1 3.45Å; G260-L339 VanDerWaalsContact CA-CG 3.44Å; S337-L339 PolarHBondContact O-N 2.86Å; S337-L339 VanDerWaalsContact O-N 3.13Å; S337-L339 PolarHBondContact OG-N 2.92Å; L339-C341 PolarHBondContact O-N 2.93Å; L339-W346 HydrophobicContact CD2-CH2 3.55Å; L339-W346 HydrophobicContact CD2-CZ2 3.47Å; L339-W346 VanDerWaalsContact CD2-CZ2 3.47Å
340	D	84.1	Confident	85	Confident	89 Å²	89	70.4 Å²	70.4	48%	0.476	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.1	178.2	-57.2	-44.5	0	0	0	110.7	E335 T336 S337	E335-D340 HydrophobicContact CB-CB 3.88Å; E335-D340 HydrophobicContact CG-CB 3.81Å; T336-D340 WeakPolarHBondContact CA-OD2 3.34Å; T336-D340 WeakPolarHBondContact CB-OD2 3.17Å; T336-D340 PolarHBondContact N-OD2 3.43Å; T336-D340 PolarHBondContact OG1-OD2 2.96Å; S337-D340 PolarHBondContact N-OD2 2.95Å; S337-D340 WeakPolarHBondContact O-CB 3.46Å; S337-D340 PolarHBondContact O-N 2.88Å
341	C	90.1	Very high	84.8	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.034	36%	0.356	C	S	.	.	S	Bend	trans	-72.9	156	174.3	-53.1	0	0	0	0	110.8	V329 C331 E335 L338 L339	V329-C341 HydrophobicContact CG1-CB 4.28Å; C331-C341 VanDerWaalsContact CA-SG 3.55Å; C331-C341 HydrophobicContact CB-CB 3.94Å; C331-C341 WeakPolarHBondContact CB-SG 3.01Å; C331-C341 WeakPolarHBondContact SG-CB 3.37Å; C331-C341 CovalentContact SG-SG 2.03Å; C331-C341 PolarHBondContact SG-SG 3.24Å; E335-C341 HydrophobicContact CG-CB 4.47Å; L338-C341 WeakPolarHBondContact O-CB 3.34Å; L339-C341 PolarHBondContact O-N 2.93Å
342	R	92.4	Very high	84.6	Confident	158 Å²	158	69.3 Å²	69.3	60%	0.596	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-70.2	142.5	167.5	-73.9	170.8	-69.7	-125.3	-15.8	108.6	V329 H330 E332	V329-R342 CarbonylContact C-O 3.12Å; V329-R342 WeakPolarHBondContact CA-O 3.17Å; H330-R342 HydrophobicContact CB-CB 4.27Å; H330-R342 PolarHBondContact N-O 2.87Å; H330-R342 PolarHBondContact O-N 3.44Å; H330-R342 VanDerWaalsContact O-N 3.09Å; E332-R342 IonicContact OE1-CZ 3.09Å; E332-R342 IonicContact OE1-NH1 2.73Å; E332-R342 IonicContact OE1-NH2 2.69Å; E332-R342 PolarHBondContact OE1-NH2 3.07Å
343	H	91.4	Very high	84.6	Confident	59 Å²	59	65.8 Å²	65.8	27%	0.273	36%	0.355	S	S	.	.			trans	-151.4	167.5	178.2	61.8	77.9	0	0	0	110.9	L326 V329 W346	L326-H343 HydrophobicContact CD2-CB 4.02Å; V329-H343 HydrophobicContact CG2-CB 4.3Å; H343-W346 AromaticContact CE1-CE2 3.86Å; H343-W346 AromaticContact CE1-NE1 3.61Å
344	G	84.4	Confident	85	Confident	18 Å²	18	68.5 Å²	68.5	19%	0.186	37%	0.371	C	S	.	.			trans	-66.6	-175	174.4	0	0	0	0	0	113.9	D327	D327-G344 PolarHBondContact O-N 3.03Å
345	I	84.1	Confident	85.4	Confident	116 Å²	116	67.6 Å²	67.6	60%	0.595	36%	0.357	S	S	*	.			trans	-77.5	126.9	177	-59.7	176.2	0	0	0	108.7	G347 R348	I345-G347 PolarHBondContact O-N 3.18Å; I345-R348 HydrophobicContact CB-CB 4.27Å; I345-R348 WeakPolarHBondContact O-CB 3.19Å; I345-R348 PolarHBondContact O-N 3.42Å
346	W	84.4	Confident	85.6	Confident	71 Å²	71	66.9 Å²	66.9	27%	0.269	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.1	127.3	177.1	-73.4	110.2	0	0	0	113.9	V277 H279 L325 L326 L339 H343 R348	V277-W346 HydrophobicContact CG1-CZ3 4.23Å; V277-W346 HydrophobicContact CG2-CH2 4.44Å; H279-W346 HydrophobicContact CB-CE3 4Å; H279-W346 HydrophobicContact CB-CH2 3.76Å; H279-W346 HydrophobicContact CB-CZ2 4.35Å; H279-W346 HydrophobicContact CB-CZ3 3.56Å; H279-W346 AromaticContact CD2-CD2 3.25Å; H279-W346 AromaticContact CD2-CE2 3.7Å; H279-W346 AromaticContact CD2-CE3 3.34Å; H279-W346 AromaticContact CD2-CG 3.6Å; H279-W346 AromaticContact CD2-CZ3 3.83Å; H279-W346 AromaticContact CE1-CE2 3.86Å; H279-W346 AromaticContact CE1-NE1 3.89Å; H279-W346 AromaticContact CG-CD2 3.88Å; H279-W346 AromaticContact CG-CE2 3.95Å; H279-W346 AromaticContact CG-CE3 3.78Å; H279-W346 AromaticContact CG-CH2 3.84Å; H279-W346 AromaticContact CG-CZ2 3.94Å; H279-W346 AromaticContact CG-CZ3 3.76Å; H279-W346 AromaticContact NE2-CD1 3.56Å; H279-W346 AromaticContact NE2-CD2 3.49Å; H279-W346 AromaticContact NE2-CE2 3.67Å; H279-W346 AromaticContact NE2-CG 3.41Å; H279-W346 AromaticContact NE2-NE1 3.72Å; L325-W346 HydrophobicContact CB-CE3 4.05Å; L325-W346 HydrophobicContact CB-CZ3 4.01Å; L325-W346 WeakPolarHBondContact O-CA 3.24Å; L326-W346 HydrophobicContact CD1-CH2 4.17Å; L326-W346 HydrophobicContact CD1-CZ3 4.22Å; L326-W346 HydrophobicContact CD2-CD2 4.06Å; L326-W346 HydrophobicContact CD2-CE3 3.7Å; L326-W346 HydrophobicContact CD2-CH2 3.73Å; L326-W346 HydrophobicContact CD2-CZ2 4.07Å; L326-W346 HydrophobicContact CD2-CZ3 3.53Å; L326-W346 HydrophobicContact CG-CE3 4.09Å; L326-W346 HydrophobicContact CG-CH2 3.96Å; L326-W346 HydrophobicContact CG-CZ3 3.56Å; L339-W346 HydrophobicContact CD2-CH2 3.55Å; L339-W346 HydrophobicContact CD2-CZ2 3.47Å; L339-W346 VanDerWaalsContact CD2-CZ2 3.47Å; H343-W346 AromaticContact CE1-CE2 3.86Å; H343-W346 AromaticContact CE1-NE1 3.61Å; W346-R348 PolarHBondContact O-N 2.74Å
347	G	80.7	Confident	86.5	Confident	45 Å²	45	61.8 Å²	61.8	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	10.6	178.1	0	0	0	0	0	115.1	L325 I345	L325-G347 PolarHBondContact O-N 2.92Å; I345-G347 PolarHBondContact O-N 3.18Å
348	R	85.4	Confident	87.1	Confident	182 Å²	182	61 Å²	61	69%	0.687	32%	0.317	S	S	*	.			trans	-117.2	102.9	175.1	-177.1	-169.2	167.5	-153.3	-12.5	109.9	I345 W346	I345-R348 HydrophobicContact CB-CB 4.27Å; I345-R348 WeakPolarHBondContact O-CB 3.19Å; I345-R348 PolarHBondContact O-N 3.42Å; W346-R348 PolarHBondContact O-N 2.74Å
349	T	84.5	Confident	87.5	Confident	45 Å²	45	61 Å²	61	28%	0.276	32%	0.317	S	S	.	.			trans	-130.4	163.6	175.3	-176.2	0	0	0	0	110.5	I324 D327 C351	I324-T349 HydrophobicContact CB-CG2 3.81Å; I324-T349 HydrophobicContact CD1-CG2 4.03Å; I324-T349 HydrophobicContact CG1-CG2 4.49Å; I324-T349 HydrophobicContact CG2-CG2 3.94Å; D327-T349 VanDerWaalsContact CG-OG1 3.29Å; D327-T349 WeakPolarHBondContact OD2-CA 3.38Å; D327-T349 WeakPolarHBondContact OD2-CB 3.43Å; D327-T349 PolarHBondContact OD2-OG1 3.49Å; T349-C351 WeakPolarHBondContact OG1-CB 3.34Å; T349-C351 PolarHBondContact OG1-N 3.34Å; T349-C351 PolarHBondContact OG1-SG 3.2Å; T349-C351 VanDerWaalsContact OG1-SG 3.34Å
350	D	86.9	Confident	87.8	Confident	160 Å²	160	60 Å²	60	86%	0.856	31%	0.31	S	S	*	.	S	Bend	trans	-108	3.8	158	56.5	-15.2	0	0	0	114.2
351	C	87.8	Confident	87.7	Confident	23 Å²	23	56.2 Å²	56.2	16%	0.155	29%	0.29	C	S	.	.			trans	-72.6	170	170.5	-52.3	0	0	0	0	113.8	C287 I324 T349 E355	C287-C351 HydrophobicContact CB-CB 3.72Å; C287-C351 WeakPolarHBondContact CB-SG 3.36Å; C287-C351 WeakPolarHBondContact SG-CB 3.24Å; C287-C351 CovalentContact SG-SG 2.03Å; C287-C351 PolarHBondContact SG-SG 3.1Å; I324-C351 HydrophobicContact CD1-CB 4.37Å; T349-C351 WeakPolarHBondContact OG1-CB 3.34Å; T349-C351 PolarHBondContact OG1-N 3.34Å; T349-C351 PolarHBondContact OG1-SG 3.2Å; T349-C351 VanDerWaalsContact OG1-SG 3.34Å; C351-E355 HydrophobicContact CB-CB 4.21Å
352	S	87.5	Confident	86.8	Confident	55 Å²	55	62 Å²	62	39%	0.385	31%	0.311	S	S	.	.			trans	-129.3	168.7	174.6	68.6	0	0	0	0	111.5	S354 E355	S352-S354 PolarHBondContact O-N 3.22Å; S352-S354 PolarHBondContact OG-OG 2.98Å; S352-E355 WeakPolarHBondContact CA-OE2 3.38Å; S352-E355 WeakPolarHBondContact CB-OE2 3.39Å; S352-E355 PolarHBondContact N-OE2 3.26Å; S352-E355 WeakPolarHBondContact O-CA 3.33Å; S352-E355 WeakPolarHBondContact O-CB 3.36Å; S352-E355 PolarHBondContact O-N 2.81Å; S352-E355 PolarHBondContact OG-OE2 3.36Å
353	H	87.1	Confident	85	Confident	44 Å²	44	57.5 Å²	57.5	20%	0.204	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-65.1	-12	-175.6	-75.7	-51.6	0	0	0	115.1	T285 E319 G322 E355 D356	T285-H353 PolarHBondContact OG1-ND1 2.71Å; E319-H353 HydrophobicContact CB-CB 4.1Å; G322-H353 PolarHBondContact N-NE2 2.95Å; H353-E355 PolarHBondContact O-N 2.83Å; H353-D356 WeakPolarHBondContact CA-OD2 3.42Å; H353-D356 WeakPolarHBondContact CB-OD2 3.23Å; H353-D356 IonicContact CE1-OD2 3.18Å; H353-D356 IonicContact CG-OD2 3.75Å; H353-D356 IonicContact ND1-OD1 2.67Å; H353-D356 PolarHBondContact ND1-OD1 3.28Å; H353-D356 VanDerWaalsContact ND1-OD1 3.09Å; H353-D356 IonicContact ND1-OD2 2.74Å; H353-D356 PolarHBondContact ND1-OD2 2.79Å; H353-D356 WeakPolarHBondContact O-CB 3.36Å; H353-D356 VanDerWaalsContact O-CG 3.28Å; H353-D356 PolarHBondContact O-N 3.35Å
354	S	87.3	Confident	82.6	Confident	70 Å²	70	65.1 Å²	65.1	49%	0.49	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-72.5	-13	167.8	49.7	0	0	0	0	113.9	S352	S352-S354 PolarHBondContact O-N 3.22Å; S352-S354 PolarHBondContact OG-OG 2.98Å
355	E	90.3	Very high	80.3	Confident	76 Å²	76	68.5 Å²	68.5	36%	0.355	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-106.1	17.2	175.7	-64.2	137.4	141.1	0	0	110.9	C287 D288 C351 S352 H353 V357	C287-E355 CarbonylContact C-O 3.57Å; C287-E355 WeakPolarHBondContact CA-O 3.49Å; D288-E355 PolarHBondContact N-O 3.35Å; C351-E355 HydrophobicContact CB-CB 4.21Å; S352-E355 WeakPolarHBondContact CA-OE2 3.38Å; S352-E355 WeakPolarHBondContact CB-OE2 3.39Å; S352-E355 PolarHBondContact N-OE2 3.26Å; S352-E355 WeakPolarHBondContact O-CA 3.33Å; S352-E355 WeakPolarHBondContact O-CB 3.36Å; S352-E355 PolarHBondContact O-N 2.81Å; S352-E355 PolarHBondContact OG-OE2 3.36Å; H353-E355 PolarHBondContact O-N 2.83Å; E355-V357 PolarHBondContact O-N 2.91Å
356	D	91	Very high	78.3	Confident	7 Å²	7	69 Å²	69	4%	0.037	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-70.6	121.3	173.2	-72	-29.7	0	0	0	111.2	R274 T285 G320 H353	R274-D356 HydrophobicContact CG-CB 4Å; T285-D356 WeakPolarHBondContact CB-OD1 3.45Å; T285-D356 HydrophobicContact CG2-CB 4.41Å; T285-D356 PolarHBondContact OG1-OD1 2.8Å; G320-D356 VanDerWaalsContact CA-OD2 3.26Å; G320-D356 WeakPolarHBondContact CA-OD2 3.42Å; G320-D356 PolarHBondContact N-OD2 3.49Å; H353-D356 WeakPolarHBondContact CA-OD2 3.42Å; H353-D356 WeakPolarHBondContact CB-OD2 3.23Å; H353-D356 IonicContact CE1-OD2 3.18Å; H353-D356 IonicContact CG-OD2 3.75Å; H353-D356 IonicContact ND1-OD1 2.67Å; H353-D356 PolarHBondContact ND1-OD1 3.28Å; H353-D356 VanDerWaalsContact ND1-OD1 3.09Å; H353-D356 IonicContact ND1-OD2 2.74Å; H353-D356 PolarHBondContact ND1-OD2 2.79Å; H353-D356 WeakPolarHBondContact O-CB 3.36Å; H353-D356 VanDerWaalsContact O-CG 3.28Å; H353-D356 PolarHBondContact O-N 3.35Å
357	V	92.6	Very high	76.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.1	132.5	-170.7	75	0	0	0	0	114.1	R274 V275 V286 D288 W291 V311 E355	R274-V357 CarbonylContact C-O 3.4Å; R274-V357 WeakPolarHBondContact CA-O 3.36Å; V275-V357 HydrophobicContact CB-CG1 3.77Å; V275-V357 HydrophobicContact CG2-CG1 3.87Å; V275-V357 PolarHBondContact N-O 3.35Å; V286-V357 HydrophobicContact CB-CG1 4.02Å; V286-V357 HydrophobicContact CG1-CG1 4.38Å; V286-V357 WeakPolarHBondContact O-CG1 3.09Å; V286-V357 PolarHBondContact O-N 3.34Å; D288-V357 HydrophobicContact CB-CB 3.55Å; D288-V357 HydrophobicContact CB-CG2 3.59Å; W291-V357 HydrophobicContact CB-CG2 4.24Å; W291-V357 HydrophobicContact CD2-CB 4.28Å; W291-V357 HydrophobicContact CD2-CG1 4.07Å; W291-V357 HydrophobicContact CD2-CG2 3.66Å; W291-V357 HydrophobicContact CE3-CG1 4.25Å; W291-V357 HydrophobicContact CE3-CG2 3.69Å; W291-V357 HydrophobicContact CG-CG2 3.88Å; W291-V357 HydrophobicContact CH2-CG1 4.03Å; W291-V357 HydrophobicContact CZ2-CG1 3.8Å; W291-V357 HydrophobicContact CZ3-CG1 4.23Å; W291-V357 HydrophobicContact CZ3-CG2 4.33Å; V311-V357 HydrophobicContact CG1-CG2 3.79Å; E355-V357 PolarHBondContact O-N 2.91Å
358	G	92.2	Very high	74	Confident	4 Å²	4	79.5 Å²	79.5	4%	0.041	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.1	166.6	0	0	0	0	0	113	G273 V312	G273-G358 WeakPolarHBondContact O-CA 2.96Å; V312-G358 PolarHBondContact N-O 2.94Å; V312-G358 VanDerWaalsContact O-CA 3.32Å; V312-G358 WeakPolarHBondContact O-CA 3.25Å; V312-G358 PolarHBondContact O-N 3.44Å; V312-G358 VanDerWaalsContact O-N 3.16Å
359	V	92	Very high	71.7	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.8	165.9	-61.8	0	0	0	0	111.7	L264 E272 G273 V275 W291 A296 V299 E310	L264-V359 HydrophobicContact CD1-CG2 4.22Å; L264-V359 HydrophobicContact CD2-CG2 3.4Å; L264-V359 VanDerWaalsContact CD2-CG2 3.4Å; L264-V359 HydrophobicContact CG-CG2 4.48Å; E272-V359 WeakPolarHBondContact CA-O 3.47Å; G273-V359 PolarHBondContact N-O 2.9Å; G273-V359 PolarHBondContact O-N 3.09Å; V275-V359 HydrophobicContact CG2-CB 4.27Å; V275-V359 HydrophobicContact CG2-CG1 3.72Å; V275-V359 HydrophobicContact CG2-CG2 3.69Å; W291-V359 HydrophobicContact CE3-CG1 4.43Å; W291-V359 HydrophobicContact CZ3-CG1 3.82Å; A296-V359 HydrophobicContact CB-CB 4.32Å; A296-V359 HydrophobicContact CB-CG1 3.75Å; V299-V359 HydrophobicContact CG1-CG2 4.03Å; E310-V359 CarbonylContact O-C 3.55Å; E310-V359 WeakPolarHBondContact O-CA 3.46Å
360	R	87.9	Confident	69.5	Low	34 Å²	34	80.7 Å²	80.7	13%	0.128	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.5	167.8	177.1	-177.1	-59.1	99.5	9.5	110.5	W271 E272 E310 V312 R362	W271-R360 WeakPolarHBondContact O-CA 3.29Å; E272-R360 HydrophobicContact CB-CB 3.94Å; E272-R360 HydrophobicContact CB-CG 3.91Å; E272-R360 IonicContact OE2-CZ 2.91Å; E272-R360 IonicContact OE2-NE 3.2Å; E272-R360 PolarHBondContact OE2-NE 2.89Å; E272-R360 IonicContact OE2-NH2 2.66Å; E272-R360 PolarHBondContact OE2-NH2 2.02Å; E310-R360 HydrophobicContact CG-CB 3.77Å; E310-R360 HydrophobicContact CG-CG 4.38Å; E310-R360 PolarHBondContact N-O 2.84Å; E310-R360 PolarHBondContact O-N 2.71Å; E310-R360 WeakPolarHBondContact OE1-CD 3.45Å; E310-R360 IonicContact OE1-CZ 3.16Å; E310-R360 IonicContact OE1-NE 3.92Å; E310-R360 IonicContact OE1-NH1 3.55Å; E310-R360 PolarHBondContact OE1-NH1 3.03Å; V312-R360 HydrophobicContact CG2-CB 4.11Å; R360-R362 HydrophobicContact CG-CG 4.24Å
361	C	81.1	Confident	66.8	Low	8 Å²	8	80.3 Å²	80.3	5%	0.054	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.2	177.1	-44.9	0	0	0	0	109.5	W271 C300 Y305	W271-C361 HydrophobicContact CB-CB 4.18Å; W271-C361 VanDerWaalsContact CD1-O 3.31Å; W271-C361 PolarHBondContact O-N 3.26Å; C300-C361 VanDerWaalsContact CA-SG 3.51Å; C300-C361 HydrophobicContact CB-CB 3.79Å; C300-C361 WeakPolarHBondContact CB-SG 3.42Å; C300-C361 WeakPolarHBondContact SG-CA 3.34Å; C300-C361 WeakPolarHBondContact SG-CB 3.33Å; C300-C361 CovalentContact SG-SG 2.03Å; C300-C361 PolarHBondContact SG-SG 2.97Å; Y305-C361 HydrophobicContact CD2-CB 3.92Å; Y305-C361 HydrophobicContact CG-CB 3.84Å
362	R	72.6	Confident	64	Low	128 Å²	128	85.3 Å²	85.3	48%	0.483	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	-177.1	-87.2	179.9	164.6	155.2	-4.7	113.3	G307 H308 E310 R360	G307-R362 CarbonylContact C-O 3.59Å; G307-R362 WeakPolarHBondContact CA-O 3.37Å; H308-R362 PolarHBondContact N-O 2.86Å; H308-R362 PolarHBondContact O-N 3.23Å; E310-R362 VanDerWaalsContact CD-NH1 3.26Å; E310-R362 IonicContact OE1-CZ 2.95Å; E310-R362 IonicContact OE1-NE 2.98Å; E310-R362 IonicContact OE1-NH1 2.81Å; E310-R362 PolarHBondContact OE1-NH1 3.07Å; E310-R362 WeakPolarHBondContact OE2-CD 3.19Å; E310-R362 IonicContact OE2-CZ 3.88Å; E310-R362 IonicContact OE2-NE 3.91Å; E310-R362 IonicContact OE2-NH1 3.26Å; E310-R362 PolarHBondContact OE2-NH1 2.97Å; R360-R362 HydrophobicContact CG-CG 4.24Å
363	G	54.2	Low	61.2	Low	63 Å²	63	88.2 Å²	88.2	65%	0.649	48%	0.482	S	S	*	.			trans	-63.4	155.5	159.4	0	0	0	0	0	111.9	S365	G363-S365 PolarHBondContact O-N 3.44Å
364	R	40.4	Very low	59	Low	218 Å²	218	90 Å²	90	82%	0.823	50%	0.495	S	S	*	.	S	Bend	trans	-79	110.3	-176.8	-78.4	-174.4	169.3	-167.3	-2.7	112.4
365	S	36.6	Very low	56.7	Low	90 Å²	90	91.8 Å²	91.8	63%	0.629	50%	0.498	S	S	*	.			trans	49.6	82.5	151.6	60.7	0	0	0	0	118.6	G363 Q367	G363-S365 PolarHBondContact O-N 3.44Å; S365-Q367 VanDerWaalsContact C-N 3.29Å; S365-Q367 PolarHBondContact O-N 3.47Å
366	S	41	Very low	53.9	Low	125 Å²	125	91.5 Å²	91.5	87%	0.874	51%	0.509	S	S	*	.	S	Bend		53	19.6	123.7	69.7	0	0	0	0	120.9
367	Q	39.7	Very low	51.5	Low	191 Å²	191	95.3 Å²	95.3	89%	0.893	53%	0.534	S	S	*	.	S	Bend	trans	-143.1	-16.4	169.8	-132.3	176.4	9.3	0	0	115.6	S365	S365-Q367 VanDerWaalsContact C-N 3.29Å; S365-Q367 PolarHBondContact O-N 3.47Å
368	D	36.7	Very low	49	Very low	147 Å²	147	98.4 Å²	98.4	79%	0.786	56%	0.556	S	S	*	*	S	Bend	trans	-83.7	138.8	159.5	-65.3	-51.1	0	0	0	109.6
369	T	35.7	Very low	46.8	Very low	103 Å²	103	103.1 Å²	103.1	63%	0.632	58%	0.584	S	S	*	*			trans	-69.3	149.2	168.9	35.8	0	0	0	0	110.1	E371	T369-E371 PolarHBondContact O-N 3.48Å
370	N	38.5	Very low	44.9	Very low	149 Å²	149	104.7 Å²	104.7	80%	0.797	60%	0.6	S	S	*	*	S	Bend	trans	-73.3	29.6	168.8	-76.5	-10.3	0	0	0	112.7	V372	N370-V372 PolarHBondContact O-N 3.05Å
371	E	31.1	Very low	43.4	Very low	151 Å²	151	103.5 Å²	103.5	71%	0.706	60%	0.597	S	S	*	*			trans	-71.1	116.4	160.5	-71.9	-178.1	176.3	0	0	107.1	T369 P373	T369-E371 PolarHBondContact O-N 3.48Å; E371-P373 WeakPolarHBondContact O-CD 3.33Å; E371-P373 VanDerWaalsContact O-N 3.12Å
372	V	29.3	Very low	42.1	Very low	129 Å²	129	108.3 Å²	108.3	78%	0.782	62%	0.621	S	S	*	*			trans	-61.9	113.7	-179.6	176.3	0	0	0	0	109.8	N370 V374	N370-V372 PolarHBondContact O-N 3.05Å; V372-V374 PolarHBondContact O-N 3.03Å
373	P	28.5	Very low	42.2	Very low	116 Å²	116	103 Å²	103	75%	0.753	60%	0.603	S	S	*	*			trans	-69.3	122.5	177	-17.4	33.5	0	0	0	109	E371 I375	E371-P373 WeakPolarHBondContact O-CD 3.33Å; E371-P373 VanDerWaalsContact O-N 3.12Å; P373-I375 PolarHBondContact O-N 3.28Å
374	V	39.6	Very low	42.9	Very low	80 Å²	80	103.3 Å²	103.3	49%	0.485	59%	0.585	S	S	.	*	S	Bend	trans	-62.2	119.6	-173.2	171.4	0	0	0	0	110.9	V372 L400	V372-V374 PolarHBondContact O-N 3.03Å; V374-L400 HydrophobicContact CG1-CD2 4.09Å
375	I	39.4	Very low	44.5	Very low	109 Å²	109	94.6 Å²	94.6	56%	0.559	55%	0.554	S	S	*	*			trans	77.4	106.9	175.3	-53	152.4	0	0	0	116.3	P373 L400	P373-I375 PolarHBondContact O-N 3.28Å; I375-L400 HydrophobicContact CD1-CD2 3.84Å; I375-L400 HydrophobicContact CG1-CD2 4.03Å
376	A	31.5	Very low	46	Very low	70 Å²	70	92.3 Å²	92.3	58%	0.579	54%	0.536	S	S	*	.				165.7	154.4	120.3	0	0	0	0	0	113.2	R306	R306-A376 PolarHBondContact NH1-O 3.15Å
377	P	41.9	Very low	47	Very low	87 Å²	87	89 Å²	89	57%	0.565	52%	0.521	S	S	*	.	S	Bend		-123.2	120.6	-61.3	32.2	-17.3	0	0	0	110	R306	R306-P377 PolarHBondContact NH2-O 2.87Å
378	S	40.3	Very low	48.2	Very low	65 Å²	65	81.1 Å²	81.1	46%	0.455	49%	0.492	S	S	.	.	S	Bend	trans	-173.3	-5.8	167.1	55.8	0	0	0	0	114.1	R306 F456	R306-S378 PolarHBondContact NH2-OG 3.03Å; S378-F456 VanDerWaalsContact O-CE2 3.23Å; S378-F456 WeakPolarHBondContact O-CE2 3.23Å; S378-F456 WeakPolarHBondContact O-CZ 3.25Å
379	T	45	Very low	48.9	Very low	103 Å²	103	77.8 Å²	77.8	63%	0.632	49%	0.492	S	S	*	.	S	Bend	trans	-135.8	-13.1	175.2	47.5	0	0	0	0	113.9	F456	T379-F456 WeakPolarHBondContact O-CD1 3.36Å; T379-F456 WeakPolarHBondContact O-CE1 3.42Å
380	G	51.9	Low	50.1	Low	33 Å²	33	75.8 Å²	75.8	34%	0.34	48%	0.483	S	S	.	.			trans	63	-174.6	-178.2	0	0	0	0	0	115.5
381	P	57.1	Low	51	Low	9 Å²	9	79.2 Å²	79.2	6%	0.058	48%	0.484	C	S	.	.	S	Bend	trans	-70.7	145.7	163.9	31	-33.6	0	0	0	109.6	V383 V398 Y399 L400 Q423	P381-V383 PolarHBondContact O-N 3Å; P381-V398 HydrophobicContact CB-CG1 4.47Å; P381-V398 HydrophobicContact CG-CG1 4.24Å; P381-Y399 WeakPolarHBondContact CB-O 3.38Å; P381-L400 HydrophobicContact CB-CD2 3.8Å; P381-L400 HydrophobicContact CB-CG 4Å; P381-Q423 PolarHBondContact O-NE2 2.68Å
382	L	54	Low	53	Low	109 Å²	109	75.9 Å²	75.9	57%	0.571	47%	0.467	S	S	*	.			trans	-62	138.7	170.2	-57.9	173.6	0	0	0	109.2	V398 Y399 W404	L382-V398 CarbonylContact O-C 3.47Å; L382-V398 WeakPolarHBondContact O-CA 3.36Å; L382-Y399 HydrophobicContact CD1-CD1 4.36Å; L382-Y399 PolarHBondContact O-N 2.9Å; L382-W404 HydrophobicContact CB-CH2 3.79Å; L382-W404 HydrophobicContact CB-CZ2 4.28Å; L382-W404 WeakPolarHBondContact O-CZ3 3.16Å
383	V	72.9	Confident	55.3	Low	15 Å²	15	72 Å²	72	9%	0.091	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.6	179.4	-179.7	0	0	0	0	108.8	P381 V396 E397 V398 V420 Q423 L424 L457	P381-V383 PolarHBondContact O-N 3Å; V383-V396 HydrophobicContact CG1-CG1 3.82Å; V383-E397 WeakPolarHBondContact CA-O 3.3Å; V383-V398 HydrophobicContact CG2-CG1 4Å; V383-V420 HydrophobicContact CG1-CG1 3.89Å; V383-V420 HydrophobicContact CG1-CG2 4.32Å; V383-Q423 VanDerWaalsContact CG2-OE1 3.28Å; V383-L424 HydrophobicContact CG1-CD1 4.31Å; V383-L424 HydrophobicContact CG1-CG 4.49Å; V383-L424 WeakPolarHBondContact O-CD2 3.42Å; V383-L457 HydrophobicContact CG2-CB 4.12Å; V383-L457 HydrophobicContact CG2-CD2 4.25Å
384	R	70.4	Confident	57.6	Low	71 Å²	71	66.5 Å²	66.5	27%	0.268	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.5	170.2	71.2	-175.6	-172.3	166.8	-5.2	112.2	V386 E397 W404	R384-V386 HydrophobicContact CG-CG2 3.91Å; R384-E397 HydrophobicContact CG-CB 4.05Å; R384-E397 IonicContact CZ-OE2 2.7Å; R384-E397 VanDerWaalsContact CZ-OE2 3.28Å; R384-E397 PolarHBondContact N-O 2.8Å; R384-E397 IonicContact NE-OE2 3.57Å; R384-E397 PolarHBondContact NE-OE2 2.84Å; R384-E397 VanDerWaalsContact NE-OE2 3.09Å; R384-E397 IonicContact NH2-OE2 3.88Å; R384-E397 PolarHBondContact NH2-OE2 2.78Å; R384-E397 PolarHBondContact O-N 3.26Å; R384-E397 VanDerWaalsContact O-N 3.1Å; R384-W404 HydrophobicContact CB-CH2 3.96Å; R384-W404 HydrophobicContact CB-CZ3 3.97Å; R384-W404 HydrophobicContact CG-CD2 4.42Å; R384-W404 HydrophobicContact CG-CE3 3.77Å; R384-W404 HydrophobicContact CG-CH2 3.86Å; R384-W404 HydrophobicContact CG-CZ2 4.49Å; R384-W404 HydrophobicContact CG-CZ3 3.47Å; R384-W404 VanDerWaalsContact CG-CZ3 3.47Å
385	L	73.6	Confident	59.8	Low	35 Å²	35	63.4 Å²	63.4	18%	0.183	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132	173	-54.2	-172.8	0	0	0	110.5	R395 V396 V420 L424 V478	L385-R395 WeakPolarHBondContact CA-O 3.33Å; L385-V396 HydrophobicContact CD2-CG2 4.07Å; L385-V420 HydrophobicContact CD2-CG1 3.95Å; L385-L424 HydrophobicContact CD1-CD1 4.03Å; L385-L424 HydrophobicContact CD2-CD1 3.85Å; L385-L424 HydrophobicContact CG-CD1 3.61Å; L385-V478 HydrophobicContact CD1-CG2 3.77Å; L385-V478 HydrophobicContact CD2-CG2 3.38Å; L385-V478 HydrophobicContact CG-CG2 4.25Å
386	V	68.6	Low	61.9	Low	42 Å²	42	58.2 Å²	58.2	26%	0.255	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.3	-177.4	-170	0	0	0	0	111.1	R384 R395 E397	R384-V386 HydrophobicContact CG-CG2 3.91Å; V386-R395 VanDerWaalsContact CG1-NH2 3.31Å; V386-R395 PolarHBondContact N-O 3.44Å; V386-R395 WeakPolarHBondContact O-CB 3.41Å; V386-R395 PolarHBondContact O-N 2.91Å; V386-E397 HydrophobicContact CG2-CG 4.35Å
387	G	61.8	Low	64.3	Low	54 Å²	54	55.3 Å²	55.3	56%	0.557	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	80.7	17.2	170.5	0	0	0	0	0	116.4	F436	G387-F436 WeakPolarHBondContact O-CB 2.99Å
388	G	64.4	Low	65.5	Low	27 Å²	27	51.1 Å²	51.1	28%	0.278	31%	0.305	S	S	.	.	S	Bend	trans	-96.4	170.3	163.5	0	0	0	0	0	112.6	S390 E393	G388-S390 VanDerWaalsContact C-N 3.29Å; G388-S390 PolarHBondContact O-N 3.09Å; G388-E393 VanDerWaalsContact CA-O 3.25Å; G388-E393 WeakPolarHBondContact CA-O 3.38Å; G388-E393 PolarHBondContact N-O 3.03Å
389	G	52.4	Low	66.3	Low	77 Å²	77	51.9 Å²	51.9	79%	0.794	30%	0.299	S	S	*	.	S	Bend	trans	-81.9	6.4	-173.5	0	0	0	0	0	115.9	E393	G389-E393 PolarHBondContact N-OE1 3.27Å; G389-E393 VanDerWaalsContact N-OE1 3.11Å
390	S	59.4	Low	66.5	Low	61 Å²	61	47.5 Å²	47.5	43%	0.427	27%	0.271	S	S	.	.	S	Bend	trans	-164.6	168	175.4	72	0	0	0	0	110.5	G388 K392 E393	G388-S390 VanDerWaalsContact C-N 3.29Å; G388-S390 PolarHBondContact O-N 3.09Å; S390-K392 PolarHBondContact O-N 3.32Å; S390-K392 PolarHBondContact OG-N 2.71Å; S390-E393 PolarHBondContact O-N 2.89Å
391	R	58.9	Low	66.5	Low	220 Å²	220	51.2 Å²	51.2	83%	0.83	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.9	173.7	72.4	-175.6	-175.4	-155.3	4.9	114.8
392	K	71.9	Confident	65.9	Low	82 Å²	82	53.2 Å²	53.2	36%	0.357	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.5	179.3	-56.7	-173.8	175.9	-134.9	0	114	S390 K479 C480 D481	S390-K392 PolarHBondContact O-N 3.32Å; S390-K392 PolarHBondContact OG-N 2.71Å; K392-K479 CarbonylContact O-C 3.59Å; K392-C480 HydrophobicContact CB-CB 4.37Å; K392-C480 WeakPolarHBondContact O-CB 2.94Å; K392-C480 PolarHBondContact O-N 3.02Å; K392-D481 HydrophobicContact CD-CB 4.09Å; K392-D481 WeakPolarHBondContact CE-OD2 3.29Å; K392-D481 IonicContact NZ-OD2 3.22Å; K392-D481 PolarHBondContact NZ-OD2 2.03Å
393	E	77.3	Confident	65.5	Low	48 Å²	48	51 Å²	51	22%	0.224	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.7	-175.1	53.7	166.8	-108.5	0	0	115	G388 G389 S390 F436 V478 K479	G388-E393 VanDerWaalsContact CA-O 3.25Å; G388-E393 WeakPolarHBondContact CA-O 3.38Å; G388-E393 PolarHBondContact N-O 3.03Å; G389-E393 PolarHBondContact N-OE1 3.27Å; G389-E393 VanDerWaalsContact N-OE1 3.11Å; S390-E393 PolarHBondContact O-N 2.89Å; E393-F436 HydrophobicContact CB-CE1 4.05Å; E393-F436 HydrophobicContact CB-CZ 4.06Å; E393-F436 HydrophobicContact CG-CE1 4.38Å; E393-V478 WeakPolarHBondContact CA-O 3.19Å; E393-K479 HydrophobicContact CB-CB 4.17Å; E393-K479 HydrophobicContact CB-CG 3.76Å; E393-K479 IonicContact OE1-NZ 3.29Å; E393-K479 PolarHBondContact OE1-NZ 3.38Å; E393-K479 IonicContact OE2-NZ 3.11Å; E393-K479 PolarHBondContact OE2-NZ 2.99Å
394	G	77.9	Confident	64.8	Low	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	177.1	176.7	0	0	0	0	0	113.9	F436 G477 V478	G394-F436 VanDerWaalsContact C-CG 3.46Å; G394-F436 VanDerWaalsContact O-CD2 3.29Å; G394-F436 WeakPolarHBondContact O-CD2 3.05Å; G394-F436 VanDerWaalsContact O-CE2 3.31Å; G394-F436 WeakPolarHBondContact O-CE2 3.05Å; G394-G477 CarbonylContact O-C 3.47Å; G394-G477 WeakPolarHBondContact O-CA 3.28Å; G394-V478 PolarHBondContact N-O 3.37Å; G394-V478 VanDerWaalsContact N-O 3.14Å; G394-V478 PolarHBondContact O-N 3.31Å
395	R	86.2	Confident	64.7	Low	15 Å²	15	49.2 Å²	49.2	6%	0.057	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.7	163.5	175.5	178.4	60.7	-90.6	-7.2	108	L385 V386 E397 F436 G437 D475 A476	L385-R395 WeakPolarHBondContact CA-O 3.33Å; V386-R395 VanDerWaalsContact CG1-NH2 3.31Å; V386-R395 PolarHBondContact N-O 3.44Å; V386-R395 WeakPolarHBondContact O-CB 3.41Å; V386-R395 PolarHBondContact O-N 2.91Å; R395-E397 HydrophobicContact CG-CG 4.46Å; R395-E397 IonicContact CZ-OE1 2.7Å; R395-E397 IonicContact NE-OE1 3.23Å; R395-E397 PolarHBondContact NE-OE1 2.81Å; R395-E397 IonicContact NH2-OE1 3.01Å; R395-E397 PolarHBondContact NH2-OE1 3.03Å; R395-F436 HydrophobicContact CB-CB 4.07Å; R395-F436 VanDerWaalsContact N-CB 3.32Å; R395-F436 VanDerWaalsContact N-CD2 3.33Å; R395-F436 PolarHBondContact NH1-O 2.59Å; R395-G437 VanDerWaalsContact NH1-C 3.28Å; R395-G437 PolarHBondContact NH1-O 2.89Å; R395-D475 HydrophobicContact CG-CB 3.99Å; R395-A476 CarbonylContact C-O 3.56Å; R395-A476 WeakPolarHBondContact CA-O 3.45Å; R395-A476 WeakPolarHBondContact CG-O 3.36Å
396	V	83.1	Confident	65	Low	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.9	174.4	-173.5	0	0	0	0	108.6	V383 L385 I407 W412 V420 L457 A476 V478	V383-V396 HydrophobicContact CG1-CG1 3.82Å; L385-V396 HydrophobicContact CD2-CG2 4.07Å; V396-I407 HydrophobicContact CB-CD1 4.4Å; V396-I407 HydrophobicContact CG1-CD1 3.79Å; V396-W412 HydrophobicContact CB-CZ2 4.4Å; V396-W412 HydrophobicContact CG1-CH2 4.38Å; V396-W412 HydrophobicContact CG2-CH2 4.41Å; V396-W412 HydrophobicContact CG2-CZ2 3.81Å; V396-V420 HydrophobicContact CG1-CG1 4.28Å; V396-V420 HydrophobicContact CG1-CG2 3.93Å; V396-V420 HydrophobicContact CG2-CG1 4.01Å; V396-V420 HydrophobicContact CG2-CG2 4.28Å; V396-L457 HydrophobicContact CG1-CD2 4.29Å; V396-A476 PolarHBondContact N-O 2.77Å; V396-V478 HydrophobicContact CG2-CB 4.46Å; V396-V478 HydrophobicContact CG2-CG1 3.67Å; V396-V478 HydrophobicContact CG2-CG2 4.15Å
397	E	80.3	Confident	65.7	Low	8 Å²	8	45.8 Å²	45.8	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.1	167	-66	177.4	-174.6	0	0	108.7	V383 R384 V386 R395 W404 G405	V383-E397 WeakPolarHBondContact CA-O 3.3Å; R384-E397 HydrophobicContact CG-CB 4.05Å; R384-E397 IonicContact CZ-OE2 2.7Å; R384-E397 VanDerWaalsContact CZ-OE2 3.28Å; R384-E397 PolarHBondContact N-O 2.8Å; R384-E397 IonicContact NE-OE2 3.57Å; R384-E397 PolarHBondContact NE-OE2 2.84Å; R384-E397 VanDerWaalsContact NE-OE2 3.09Å; R384-E397 IonicContact NH2-OE2 3.88Å; R384-E397 PolarHBondContact NH2-OE2 2.78Å; R384-E397 PolarHBondContact O-N 3.26Å; R384-E397 VanDerWaalsContact O-N 3.1Å; V386-E397 HydrophobicContact CG2-CG 4.35Å; R395-E397 HydrophobicContact CG-CG 4.46Å; R395-E397 IonicContact CZ-OE1 2.7Å; R395-E397 IonicContact NE-OE1 3.23Å; R395-E397 PolarHBondContact NE-OE1 2.81Å; R395-E397 IonicContact NH2-OE1 3.01Å; R395-E397 PolarHBondContact NH2-OE1 3.03Å; E397-W404 HydrophobicContact CB-CE3 3.96Å; E397-W404 WeakPolarHBondContact O-CZ3 3.47Å; E397-G405 CarbonylContact C-O 3.57Å; E397-G405 VanDerWaalsContact CA-O 3.25Å; E397-G405 WeakPolarHBondContact CA-O 3.46Å
398	V	68.8	Low	66.6	Low	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.5	176.1	-83.4	0	0	0	0	110	P381 L382 V383 L400 W404 G405 I407 H444 L445 L457	P381-V398 HydrophobicContact CB-CG1 4.47Å; P381-V398 HydrophobicContact CG-CG1 4.24Å; L382-V398 CarbonylContact O-C 3.47Å; L382-V398 WeakPolarHBondContact O-CA 3.36Å; V383-V398 HydrophobicContact CG2-CG1 4Å; V398-L400 HydrophobicContact CG2-CD1 4.18Å; V398-W404 WeakPolarHBondContact O-CA 3.45Å; V398-G405 PolarHBondContact N-O 3.47Å; V398-G405 PolarHBondContact O-N 3.25Å; V398-I407 HydrophobicContact CG1-CD1 4.02Å; V398-I407 HydrophobicContact CG2-CD1 4.28Å; V398-I407 HydrophobicContact CG2-CG1 4.03Å; V398-H444 HydrophobicContact CG2-CB 3.89Å; V398-H444 PolarHBondContact O-CD2 3.03Å; V398-L445 HydrophobicContact CG1-CD1 4.3Å; V398-L445 HydrophobicContact CG2-CD1 4.03Å; V398-L445 HydrophobicContact CG2-CG 4.26Å; V398-L457 HydrophobicContact CG1-CD2 3.85Å
399	Y	56.5	Low	67.2	Low	80 Å²	80	42.7 Å²	42.7	31%	0.314	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.5	170.8	-166.6	-112.8	0	0	0	109.7	P381 L382 G402 W404	P381-Y399 WeakPolarHBondContact CB-O 3.38Å; L382-Y399 HydrophobicContact CD1-CD1 4.36Å; L382-Y399 PolarHBondContact O-N 2.9Å; Y399-G402 VanDerWaalsContact CE2-C 3.48Å; Y399-G402 WeakPolarHBondContact CE2-O 3.31Å; Y399-G402 PolarHBondContact OH-O 2.87Å; Y399-W404 AromaticContact CD2-CD1 3.64Å; Y399-W404 HydrophobicContact CD2-CD2 4.02Å; Y399-W404 AromaticContact CD2-CE2 3.82Å; Y399-W404 AromaticContact CD2-CG 3.95Å; Y399-W404 HydrophobicContact CD2-CG 3.95Å; Y399-W404 HydrophobicContact CD2-CZ2 4.49Å; Y399-W404 AromaticContact CD2-NE1 3.54Å; Y399-W404 HydrophobicContact CG-CD2 4.48Å; Y399-W404 HydrophobicContact CG-CZ2 4.44Å
400	L	50.1	Low	68.1	Low	11 Å²	11	41.2 Å²	41.2	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.8	180	-76.6	172.1	0	0	0	108.8	V374 I375 P381 V398 G402 D403 H444 L445	V374-L400 HydrophobicContact CG1-CD2 4.09Å; I375-L400 HydrophobicContact CD1-CD2 3.84Å; I375-L400 HydrophobicContact CG1-CD2 4.03Å; P381-L400 HydrophobicContact CB-CD2 3.8Å; P381-L400 HydrophobicContact CB-CG 4Å; V398-L400 HydrophobicContact CG2-CD1 4.18Å; L400-G402 PolarHBondContact O-N 3.24Å; L400-D403 PolarHBondContact N-O 3.21Å; L400-D403 PolarHBondContact O-N 2.68Å; L400-D403 VanDerWaalsContact O-O 3.1Å; L400-H444 HydrophobicContact CD1-CB 4.12Å; L400-H444 PolarHBondContact O-NE2 3.16Å; L400-L445 HydrophobicContact CD1-CD1 4.41Å; L400-L445 HydrophobicContact CD1-CD2 3.95Å; L400-L445 HydrophobicContact CD1-CG 4.14Å
401	H	51.9	Low	68.5	Low	112 Å²	112	40.4 Å²	40.4	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	16.5	178.7	-42.7	104.1	0	0	0	116.3
402	G	43.6	Very low	69.7	Low	50 Å²	50	30.9 Å²	30.9	52%	0.515	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	0.4	178.2	0	0	0	0	0	115.4	Y399 L400	Y399-G402 VanDerWaalsContact CE2-C 3.48Å; Y399-G402 WeakPolarHBondContact CE2-O 3.31Å; Y399-G402 PolarHBondContact OH-O 2.87Å; L400-G402 PolarHBondContact O-N 3.24Å
403	D	45.7	Very low	70.1	Confident	62 Å²	62	29.9 Å²	29.9	33%	0.332	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.5	175	73.8	-33.9	0	0	0	113.9	L400 P442 H444	L400-D403 PolarHBondContact N-O 3.21Å; L400-D403 PolarHBondContact O-N 2.68Å; L400-D403 VanDerWaalsContact O-O 3.1Å; D403-P442 WeakPolarHBondContact OD2-CD 3.43Å; D403-P442 VanDerWaalsContact OD2-CG 3.25Å; D403-P442 WeakPolarHBondContact OD2-CG 3.43Å; D403-H444 PolarHBondContact O-NE2 3.05Å; D403-H444 IonicContact OD1-CE1 2.71Å; D403-H444 PolarHBondContact OD1-CE1 2.91Å; D403-H444 IonicContact OD1-NE2 2.8Å; D403-H444 PolarHBondContact OD1-NE2 2.96Å; D403-H444 IonicContact OD2-CE1 2.45Å; D403-H444 IonicContact OD2-NE2 2.9Å
404	W	58.4	Low	70.5	Confident	50 Å²	50	31.6 Å²	31.6	19%	0.189	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.4	176.8	-75.3	96.7	0	0	0	110.6	L382 R384 E397 V398 Y399	L382-W404 HydrophobicContact CB-CH2 3.79Å; L382-W404 HydrophobicContact CB-CZ2 4.28Å; L382-W404 WeakPolarHBondContact O-CZ3 3.16Å; R384-W404 HydrophobicContact CB-CH2 3.96Å; R384-W404 HydrophobicContact CB-CZ3 3.97Å; R384-W404 HydrophobicContact CG-CD2 4.42Å; R384-W404 HydrophobicContact CG-CE3 3.77Å; R384-W404 HydrophobicContact CG-CH2 3.86Å; R384-W404 HydrophobicContact CG-CZ2 4.49Å; R384-W404 HydrophobicContact CG-CZ3 3.47Å; R384-W404 VanDerWaalsContact CG-CZ3 3.47Å; E397-W404 HydrophobicContact CB-CE3 3.96Å; E397-W404 WeakPolarHBondContact O-CZ3 3.47Å; V398-W404 WeakPolarHBondContact O-CA 3.45Å; Y399-W404 AromaticContact CD2-CD1 3.64Å; Y399-W404 HydrophobicContact CD2-CD2 4.02Å; Y399-W404 AromaticContact CD2-CE2 3.82Å; Y399-W404 AromaticContact CD2-CG 3.95Å; Y399-W404 HydrophobicContact CD2-CG 3.95Å; Y399-W404 HydrophobicContact CD2-CZ2 4.49Å; Y399-W404 AromaticContact CD2-NE1 3.54Å; Y399-W404 HydrophobicContact CG-CD2 4.48Å; Y399-W404 HydrophobicContact CG-CZ2 4.44Å
405	G	68.9	Low	70.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.4	177	0	0	0	0	0	112.6	E397 V398 P442 H444	E397-G405 CarbonylContact C-O 3.57Å; E397-G405 VanDerWaalsContact CA-O 3.25Å; E397-G405 WeakPolarHBondContact CA-O 3.46Å; V398-G405 PolarHBondContact N-O 3.47Å; V398-G405 PolarHBondContact O-N 3.25Å; G405-P442 CarbonylContact C-O 3.59Å; G405-P442 WeakPolarHBondContact CA-O 3.41Å; G405-H444 VanDerWaalsContact CA-CD2 3.43Å; G405-H444 WeakPolarHBondContact CA-CD2 3.46Å; G405-H444 PolarHBondContact N-CD2 3.21Å; G405-H444 VanDerWaalsContact N-CD2 3.27Å
406	S	78.1	Confident	70.6	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	172.4	173.5	63.9	0	0	0	0	111.8	P442 I443 H444 D475	S406-P442 PolarHBondContact N-O 3.31Å; S406-I443 CarbonylContact O-C 3.59Å; S406-I443 WeakPolarHBondContact O-CA 3.5Å; S406-H444 PolarHBondContact O-N 3.06Å; S406-D475 WeakPolarHBondContact CB-OD1 3.43Å; S406-D475 PolarHBondContact OG-OD1 2.88Å
407	I	84.3	Confident	70.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.4	176.7	-56.1	-179.8	0	0	0	107.8	V396 V398 W412 L445 V448 L457 A476	V396-I407 HydrophobicContact CB-CD1 4.4Å; V396-I407 HydrophobicContact CG1-CD1 3.79Å; V398-I407 HydrophobicContact CG1-CD1 4.02Å; V398-I407 HydrophobicContact CG2-CD1 4.28Å; V398-I407 HydrophobicContact CG2-CG1 4.03Å; I407-W412 HydrophobicContact CD1-CH2 4.03Å; I407-W412 HydrophobicContact CD1-CZ3 3.88Å; I407-W412 HydrophobicContact CG2-CE3 3.83Å; I407-W412 HydrophobicContact CG2-CZ3 3.8Å; I407-L445 WeakPolarHBondContact CA-O 3.38Å; I407-L445 HydrophobicContact CD1-CD1 4.04Å; I407-L445 HydrophobicContact CG1-CB 4.19Å; I407-L445 HydrophobicContact CG1-CD1 4.32Å; I407-L445 HydrophobicContact CG2-CB 4.12Å; I407-V448 HydrophobicContact CG2-CG2 3.67Å; I407-L457 HydrophobicContact CD1-CD2 3.4Å; I407-A476 HydrophobicContact CB-CB 4.07Å; I407-A476 HydrophobicContact CG2-CB 4.24Å; I407-A476 WeakPolarHBondContact O-CB 3.49Å; I407-A476 PolarHBondContact O-N 3.4Å
408	C	80.3	Confident	70.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-74	138.6	176	-173.2	0	0	0	0	111.6	S410 I443 L445 D446 C470 E474	C408-S410 PolarHBondContact O-N 3.41Å; C408-S410 PolarHBondContact SG-OG 2.84Å; C408-I443 HydrophobicContact CB-CG2 4.13Å; C408-L445 PolarHBondContact N-O 2.83Å; C408-D446 HydrophobicContact CB-CB 4.4Å; C408-D446 WeakPolarHBondContact CB-OD1 3.08Å; C408-C470 HydrophobicContact CB-CB 3.87Å; C408-C470 WeakPolarHBondContact CB-SG 3.48Å; C408-C470 WeakPolarHBondContact SG-CB 3.04Å; C408-C470 CovalentContact SG-SG 2.03Å; C408-C470 PolarHBondContact SG-SG 3.46Å; C408-E474 CarbonylContact C-O 3.11Å; C408-E474 WeakPolarHBondContact CA-O 3.31Å
409	D	76.4	Confident	71.2	Confident	16 Å²	16	36.1 Å²	36.1	9%	0.086	21%	0.209	C	C	.	.			trans	-75.1	-1.5	-178	77.1	45.4	0	0	0	114.5	G411 W412 R434 E474 A476	D409-G411 PolarHBondContact O-N 2.97Å; D409-W412 HydrophobicContact CB-CB 4.36Å; D409-W412 WeakPolarHBondContact O-CB 3.07Å; D409-W412 PolarHBondContact O-N 3.09Å; D409-R434 IonicContact OD1-CZ 3.85Å; D409-R434 IonicContact OD1-NH1 2.71Å; D409-R434 PolarHBondContact OD1-NH1 2.86Å; D409-R434 IonicContact OD1-NH2 2.93Å; D409-R434 PolarHBondContact OD1-NH2 3.09Å; D409-R434 IonicContact OD2-CZ 2.95Å; D409-R434 IonicContact OD2-NE 3.27Å; D409-R434 IonicContact OD2-NH1 3.48Å; D409-R434 PolarHBondContact OD2-NH1 2.75Å; D409-R434 IonicContact OD2-NH2 3.95Å; D409-E474 WeakPolarHBondContact CB-O 3.48Å; D409-E474 PolarHBondContact N-O 3.37Å; D409-E474 VanDerWaalsContact OD2-C 3.3Å; D409-E474 WeakPolarHBondContact OD2-CA 3.22Å; D409-A476 HydrophobicContact CB-CB 4.31Å
410	S	71.6	Confident	72.3	Confident	47 Å²	47	32.3 Å²	32.3	33%	0.329	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	100	169.8	-70.7	0	0	0	0	111.7	C408 W412 D446 Q447	C408-S410 PolarHBondContact O-N 3.41Å; C408-S410 PolarHBondContact SG-OG 2.84Å; S410-W412 VanDerWaalsContact C-N 3.32Å; S410-D446 WeakPolarHBondContact CB-OD1 3.42Å; S410-Q447 WeakPolarHBondContact O-CA 3.13Å
411	G	68.4	Low	73.6	Confident	44 Å²	44	31.9 Å²	31.9	45%	0.454	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-4.4	-177.8	0	0	0	0	0	115	D409 N413	D409-G411 PolarHBondContact O-N 2.97Å; G411-N413 PolarHBondContact O-N 3.48Å; G411-N413 PolarHBondContact O-ND2 3.34Å
412	W	84.9	Confident	75	Confident	19 Å²	19	31.1 Å²	31.1	7%	0.072	19%	0.185	C	C	.	.			trans	-69.5	125.1	180	-168.3	-95.1	0	0	0	111.8	V396 I407 D409 S410 N416 V420 V448 L457 A476 G477 V478	V396-W412 HydrophobicContact CB-CZ2 4.4Å; V396-W412 HydrophobicContact CG1-CH2 4.38Å; V396-W412 HydrophobicContact CG2-CH2 4.41Å; V396-W412 HydrophobicContact CG2-CZ2 3.81Å; I407-W412 HydrophobicContact CD1-CH2 4.03Å; I407-W412 HydrophobicContact CD1-CZ3 3.88Å; I407-W412 HydrophobicContact CG2-CE3 3.83Å; I407-W412 HydrophobicContact CG2-CZ3 3.8Å; D409-W412 HydrophobicContact CB-CB 4.36Å; D409-W412 WeakPolarHBondContact O-CB 3.07Å; D409-W412 PolarHBondContact O-N 3.09Å; S410-W412 VanDerWaalsContact C-N 3.32Å; W412-N416 HydrophobicContact CD2-CB 3.63Å; W412-N416 HydrophobicContact CE3-CB 3.64Å; W412-N416 HydrophobicContact CG-CB 4.37Å; W412-N416 HydrophobicContact CH2-CB 3.7Å; W412-N416 HydrophobicContact CZ2-CB 3.68Å; W412-N416 HydrophobicContact CZ3-CB 3.68Å; W412-V420 HydrophobicContact CH2-CG2 3.64Å; W412-V420 HydrophobicContact CZ2-CG2 3.8Å; W412-V448 HydrophobicContact CE3-CB 4.21Å; W412-V448 HydrophobicContact CZ3-CB 4.05Å; W412-V448 HydrophobicContact CZ3-CG1 4.21Å; W412-V448 HydrophobicContact CZ3-CG2 4.34Å; W412-L457 HydrophobicContact CH2-CD1 3.85Å; W412-L457 HydrophobicContact CH2-CD2 3.98Å; W412-L457 HydrophobicContact CZ3-CD1 4.07Å; W412-L457 HydrophobicContact CZ3-CD2 4.38Å; W412-A476 HydrophobicContact CB-CB 4.17Å; W412-A476 HydrophobicContact CD2-CB 3.58Å; W412-A476 HydrophobicContact CE3-CB 4.08Å; W412-A476 HydrophobicContact CG-CB 3.6Å; W412-G477 PolarHBondContact NE1-O 3.37Å; W412-G477 VanDerWaalsContact NE1-O 3.13Å; W412-V478 HydrophobicContact CZ2-CG1 4Å
413	N	79.6	Confident	76.3	Confident	61 Å²	61	30.8 Å²	30.8	33%	0.326	17%	0.17	S	C	.	.			trans	-145.9	179	-173.3	68.9	82.8	0	0	0	112.2	G411 L415 N416 A417	G411-N413 PolarHBondContact O-N 3.48Å; G411-N413 PolarHBondContact O-ND2 3.34Å; N413-L415 PolarHBondContact O-N 3.08Å; N413-L415 VanDerWaalsContact O-N 3.09Å; N413-L415 VanDerWaalsContact OD1-CB 3.3Å; N413-L415 WeakPolarHBondContact OD1-CB 3.49Å; N413-L415 PolarHBondContact OD1-N 3.29Å; N413-N416 PolarHBondContact N-OD1 2.8Å; N413-N416 PolarHBondContact ND2-OD1 3.23Å; N413-N416 WeakPolarHBondContact O-CB 3.34Å; N413-N416 PolarHBondContact O-N 2.75Å; N413-N416 PolarHBondContact O-OD1 2.93Å; N413-A417 PolarHBondContact O-N 2.57Å; N413-A417 VanDerWaalsContact O-N 3.1Å
414	D	85.4	Confident	77	Confident	84 Å²	84	30.7 Å²	30.7	45%	0.449	17%	0.169	S	C	.	.	H	α-helix	trans	-57.7	-25.2	-174.9	-66.6	-4.4	0	0	0	113.8	A417 A418 V431 A432	D414-A417 WeakPolarHBondContact O-CB 3.36Å; D414-A417 PolarHBondContact O-N 3.05Å; D414-A418 WeakPolarHBondContact O-CB 3.46Å; D414-A418 PolarHBondContact O-N 3.34Å; D414-V431 WeakPolarHBondContact OD1-CA 3.25Å; D414-A432 PolarHBondContact OD1-N 2.03Å
415	L	81.8	Confident	77.1	Confident	85 Å²	85	31.6 Å²	31.6	45%	0.445	19%	0.193	S	C	.	.	H	α-helix	trans	-71.8	-36.6	174.1	-59.3	177	0	0	0	112.3	N413 A417 A418 V419	N413-L415 PolarHBondContact O-N 3.08Å; N413-L415 VanDerWaalsContact O-N 3.09Å; N413-L415 VanDerWaalsContact OD1-CB 3.3Å; N413-L415 WeakPolarHBondContact OD1-CB 3.49Å; N413-L415 PolarHBondContact OD1-N 3.29Å; L415-A417 VanDerWaalsContact C-N 3.33Å; L415-A418 PolarHBondContact O-N 2.67Å; L415-V419 PolarHBondContact O-N 2.84Å
416	N	85.4	Confident	77	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-41.8	170.4	-54.5	95.3	0	0	0	110.5	W412 N413 A418 V419 V420 V448 C450	W412-N416 HydrophobicContact CD2-CB 3.63Å; W412-N416 HydrophobicContact CE3-CB 3.64Å; W412-N416 HydrophobicContact CG-CB 4.37Å; W412-N416 HydrophobicContact CH2-CB 3.7Å; W412-N416 HydrophobicContact CZ2-CB 3.68Å; W412-N416 HydrophobicContact CZ3-CB 3.68Å; N413-N416 PolarHBondContact N-OD1 2.8Å; N413-N416 PolarHBondContact ND2-OD1 3.23Å; N413-N416 WeakPolarHBondContact O-CB 3.34Å; N413-N416 PolarHBondContact O-N 2.75Å; N413-N416 PolarHBondContact O-OD1 2.93Å; N416-A418 VanDerWaalsContact C-N 3.3Å; N416-A418 PolarHBondContact O-N 2.82Å; N416-V419 PolarHBondContact O-N 3.39Å; N416-V420 PolarHBondContact O-N 2.81Å; N416-V448 PolarHBondContact ND2-O 3.05Å; N416-C450 PolarHBondContact ND2-N 2.03Å; N416-C450 PolarHBondContact ND2-SG 3.07Å
417	A	83.1	Confident	76.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-40	176.2	0	0	0	0	0	112	N413 D414 L415 V419 V420 C421 A430 V431 V478	N413-A417 PolarHBondContact O-N 2.57Å; N413-A417 VanDerWaalsContact O-N 3.1Å; D414-A417 WeakPolarHBondContact O-CB 3.36Å; D414-A417 PolarHBondContact O-N 3.05Å; L415-A417 VanDerWaalsContact C-N 3.33Å; A417-V419 VanDerWaalsContact C-N 3.27Å; A417-V419 PolarHBondContact O-N 2.78Å; A417-V420 PolarHBondContact O-N 2.84Å; A417-C421 VanDerWaalsContact O-CB 3.31Å; A417-C421 WeakPolarHBondContact O-CB 3.43Å; A417-C421 PolarHBondContact O-N 2.94Å; A417-C421 PolarHBondContact O-SG 3.04Å; A417-A430 VanDerWaalsContact C-CB 3.46Å; A417-A430 HydrophobicContact CB-CB 3.92Å; A417-A430 WeakPolarHBondContact O-CB 3.5Å; A417-V431 VanDerWaalsContact CB-C 3.44Å; A417-V478 HydrophobicContact CB-CB 4.06Å; A417-V478 HydrophobicContact CB-CG1 3.51Å
418	A	79.6	Confident	75.7	Confident	34 Å²	34	40.3 Å²	40.3	28%	0.281	26%	0.257	S	S	.	.	H	α-helix	trans	-72.4	-13	178.4	0	0	0	0	0	114.8	D414 L415 N416 R422 A430	D414-A418 WeakPolarHBondContact O-CB 3.46Å; D414-A418 PolarHBondContact O-N 3.34Å; L415-A418 PolarHBondContact O-N 2.67Å; N416-A418 VanDerWaalsContact C-N 3.3Å; N416-A418 PolarHBondContact O-N 2.82Å; A418-R422 WeakPolarHBondContact O-CB 3.27Å; A418-R422 PolarHBondContact O-NH2 2.65Å; A418-A430 HydrophobicContact CB-CB 4.19Å
419	V	82.4	Confident	75.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-86.5	-51.4	166.5	176.6	0	0	0	0	109.5	L415 N416 A417 C421 R422 Q423 C450 E454 L457	L415-V419 PolarHBondContact O-N 2.84Å; N416-V419 PolarHBondContact O-N 3.39Å; A417-V419 VanDerWaalsContact C-N 3.27Å; A417-V419 PolarHBondContact O-N 2.78Å; V419-C421 PolarHBondContact O-N 3Å; V419-R422 PolarHBondContact O-N 2.97Å; V419-R422 VanDerWaalsContact O-N 3.17Å; V419-Q423 WeakPolarHBondContact O-CB 3.04Å; V419-Q423 PolarHBondContact O-N 3.32Å; V419-C450 HydrophobicContact CG2-CB 3.8Å; V419-E454 HydrophobicContact CG1-CB 4.03Å; V419-E454 HydrophobicContact CG2-CB 3.97Å; V419-L457 HydrophobicContact CG1-CB 4.46Å; V419-L457 HydrophobicContact CG1-CD1 4.49Å
420	V	78.7	Confident	75.9	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-53	-52	177.5	165.7	0	0	0	0	112.7	V383 L385 V396 W412 N416 A417 R422 Q423 L424 L457 V478	V383-V420 HydrophobicContact CG1-CG1 3.89Å; V383-V420 HydrophobicContact CG1-CG2 4.32Å; L385-V420 HydrophobicContact CD2-CG1 3.95Å; V396-V420 HydrophobicContact CG1-CG1 4.28Å; V396-V420 HydrophobicContact CG1-CG2 3.93Å; V396-V420 HydrophobicContact CG2-CG1 4.01Å; V396-V420 HydrophobicContact CG2-CG2 4.28Å; W412-V420 HydrophobicContact CH2-CG2 3.64Å; W412-V420 HydrophobicContact CZ2-CG2 3.8Å; N416-V420 PolarHBondContact O-N 2.81Å; A417-V420 PolarHBondContact O-N 2.84Å; V420-R422 VanDerWaalsContact C-N 3.31Å; V420-R422 PolarHBondContact O-N 3.11Å; V420-Q423 PolarHBondContact O-N 2.63Å; V420-L424 HydrophobicContact CG1-CD1 3.85Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 VanDerWaalsContact O-CG 3.29Å; V420-L424 WeakPolarHBondContact O-CG 3.32Å; V420-L424 PolarHBondContact O-N 2.89Å; V420-L424 VanDerWaalsContact O-N 3.1Å; V420-L457 HydrophobicContact CG2-CD1 4Å; V420-L457 HydrophobicContact CG2-CD2 3.77Å; V420-L457 HydrophobicContact CG2-CG 4.36Å; V420-V478 HydrophobicContact CB-CG1 4.33Å; V420-V478 HydrophobicContact CG1-CG1 4.18Å; V420-V478 HydrophobicContact CG1-CG2 3.92Å
421	C	77.6	Confident	76.7	Confident	1 Å²	1	46 Å²	46	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-40.9	-178.5	-70.8	0	0	0	0	111.4	A417 V419 L424 G425 H426 A430 C480	A417-C421 VanDerWaalsContact O-CB 3.31Å; A417-C421 WeakPolarHBondContact O-CB 3.43Å; A417-C421 PolarHBondContact O-N 2.94Å; A417-C421 PolarHBondContact O-SG 3.04Å; V419-C421 PolarHBondContact O-N 3Å; C421-L424 CarbonylContact O-C 3.58Å; C421-L424 WeakPolarHBondContact O-CA 3.44Å; C421-L424 WeakPolarHBondContact O-CB 3.23Å; C421-L424 PolarHBondContact O-N 3.01Å; C421-L424 VanDerWaalsContact O-N 3.16Å; C421-G425 PolarHBondContact O-N 3.5Å; C421-H426 CarbonylContact C-O 3.58Å; C421-H426 HydrophobicContact CB-CB 3.97Å; C421-H426 WeakPolarHBondContact O-CA 3.46Å; C421-H426 VanDerWaalsContact O-CB 3.27Å; C421-H426 WeakPolarHBondContact O-CB 3.46Å; C421-H426 PolarHBondContact O-N 3.13Å; C421-A430 HydrophobicContact CB-CB 3.84Å; C421-A430 WeakPolarHBondContact SG-CB 3.49Å; C421-C480 VanDerWaalsContact CA-SG 3.54Å; C421-C480 HydrophobicContact CB-CB 3.74Å; C421-C480 WeakPolarHBondContact CB-SG 3.39Å; C421-C480 WeakPolarHBondContact SG-CA 3.41Å; C421-C480 WeakPolarHBondContact SG-CB 3.3Å; C421-C480 CovalentContact SG-SG 2.03Å; C421-C480 PolarHBondContact SG-SG 2.76Å
422	R	80.1	Confident	77.6	Confident	97 Å²	97	45.5 Å²	45.5	37%	0.366	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-41.9	179.4	-165.4	-166.8	-40	142.2	24.3	112.4	A418 V419 V420 L424 G425 H426 G452 K453 E454	A418-R422 WeakPolarHBondContact O-CB 3.27Å; A418-R422 PolarHBondContact O-NH2 2.65Å; V419-R422 PolarHBondContact O-N 2.97Å; V419-R422 VanDerWaalsContact O-N 3.17Å; V420-R422 VanDerWaalsContact C-N 3.31Å; V420-R422 PolarHBondContact O-N 3.11Å; R422-L424 PolarHBondContact O-N 2.87Å; R422-G425 PolarHBondContact O-N 3.24Å; R422-H426 WeakPolarHBondContact CA-O 3.42Å; R422-G452 PolarHBondContact NH2-O 2.75Å; R422-K453 PolarHBondContact NH1-O 3.47Å; R422-E454 PolarHBondContact NH1-O 3.03Å
423	Q	71.8	Confident	77.5	Confident	43 Å²	43	45.4 Å²	45.4	20%	0.201	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-25.8	173.6	-170.4	178.9	-7.4	0	0	111.9	P381 V383 V419 V420 F456	P381-Q423 PolarHBondContact O-NE2 2.68Å; V383-Q423 VanDerWaalsContact CG2-OE1 3.28Å; V419-Q423 WeakPolarHBondContact O-CB 3.04Å; V419-Q423 PolarHBondContact O-N 3.32Å; V420-Q423 PolarHBondContact O-N 2.63Å; Q423-F456 HydrophobicContact CG-CD1 3.88Å
424	L	61.2	Low	77.4	Confident	59 Å²	59	50.1 Å²	50.1	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.8	173.5	-66	169.8	0	0	0	113.8	V383 L385 V420 C421 R422 H426	V383-L424 HydrophobicContact CG1-CD1 4.31Å; V383-L424 HydrophobicContact CG1-CG 4.49Å; V383-L424 WeakPolarHBondContact O-CD2 3.42Å; L385-L424 HydrophobicContact CD1-CD1 4.03Å; L385-L424 HydrophobicContact CD2-CD1 3.85Å; L385-L424 HydrophobicContact CG-CD1 3.61Å; V420-L424 HydrophobicContact CG1-CD1 3.85Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 VanDerWaalsContact O-CG 3.29Å; V420-L424 WeakPolarHBondContact O-CG 3.32Å; V420-L424 PolarHBondContact O-N 2.89Å; V420-L424 VanDerWaalsContact O-N 3.1Å; C421-L424 CarbonylContact O-C 3.58Å; C421-L424 WeakPolarHBondContact O-CA 3.44Å; C421-L424 WeakPolarHBondContact O-CB 3.23Å; C421-L424 PolarHBondContact O-N 3.01Å; C421-L424 VanDerWaalsContact O-N 3.16Å; R422-L424 PolarHBondContact O-N 2.87Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-CD2 2.81Å; L424-H426 PolarHBondContact O-N 2.97Å
425	G	59.8	Low	76.7	Confident	69 Å²	69	49.7 Å²	49.7	71%	0.711	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	2.9	178.1	0	0	0	0	0	116	C421 R422	C421-G425 PolarHBondContact O-N 3.5Å; R422-G425 PolarHBondContact O-N 3.24Å
426	H	67.4	Low	76.4	Confident	29 Å²	29	46.6 Å²	46.6	13%	0.134	28%	0.282	C	S	.	.			trans	-83.4	121.1	177.7	-66	-77.6	0	0	0	112	C421 R422 L424 C480 D481	C421-H426 CarbonylContact C-O 3.58Å; C421-H426 HydrophobicContact CB-CB 3.97Å; C421-H426 WeakPolarHBondContact O-CA 3.46Å; C421-H426 VanDerWaalsContact O-CB 3.27Å; C421-H426 WeakPolarHBondContact O-CB 3.46Å; C421-H426 PolarHBondContact O-N 3.13Å; R422-H426 WeakPolarHBondContact CA-O 3.42Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-CD2 2.81Å; L424-H426 PolarHBondContact O-N 2.97Å; H426-C480 HydrophobicContact CB-CB 3.74Å; H426-D481 WeakPolarHBondContact CB-OD1 3.41Å; H426-D481 IonicContact CE1-OD2 2.76Å; H426-D481 IonicContact CG-OD2 3.2Å; H426-D481 IonicContact ND1-OD1 3.82Å; H426-D481 IonicContact ND1-OD2 3.53Å; H426-D481 PolarHBondContact ND1-OD2 3.11Å
427	S	66.3	Low	75.3	Confident	125 Å²	125	49.1 Å²	49.1	87%	0.874	31%	0.308	S	S	*	.			trans	-97.8	-11.8	-178.3	57.1	0	0	0	0	114.4
428	G	68.7	Low	74.6	Confident	34 Å²	34	53.9 Å²	53.9	35%	0.351	33%	0.33	S	S	.	.	S	Bend	trans	-87	-177.8	-179.9	0	0	0	0	0	114.1	A430 D481	G428-A430 PolarHBondContact O-N 2.89Å; G428-A430 VanDerWaalsContact O-N 3.07Å; G428-D481 VanDerWaalsContact CA-OD1 3.23Å; G428-D481 WeakPolarHBondContact CA-OD1 3.28Å; G428-D481 PolarHBondContact N-OD1 2.99Å
429	R	77.4	Confident	73.6	Confident	144 Å²	144	52.5 Å²	52.5	54%	0.543	32%	0.319	S	S	.	.			trans	-65.8	110.9	-171.4	-169.3	178.6	70.6	128	4.3	112.8	D481 V482	R429-D481 PolarHBondContact O-N 2.82Å; R429-V482 PolarHBondContact NE-O 3.31Å; R429-V482 WeakPolarHBondContact O-CB 3.49Å; R429-V482 PolarHBondContact O-N 2.72Å
430	A	83.9	Confident	72.3	Confident	12 Å²	12	62 Å²	62	10%	0.099	36%	0.361	C	S	.	.			trans	-78.9	147.4	168.5	0	0	0	0	0	112.1	A417 A418 C421 G428 K479	A417-A430 VanDerWaalsContact C-CB 3.46Å; A417-A430 HydrophobicContact CB-CB 3.92Å; A417-A430 WeakPolarHBondContact O-CB 3.5Å; A418-A430 HydrophobicContact CB-CB 4.19Å; C421-A430 HydrophobicContact CB-CB 3.84Å; C421-A430 WeakPolarHBondContact SG-CB 3.49Å; G428-A430 PolarHBondContact O-N 2.89Å; G428-A430 VanDerWaalsContact O-N 3.07Å; A430-K479 CarbonylContact C-O 3.58Å; A430-K479 VanDerWaalsContact CA-O 3.31Å; A430-K479 WeakPolarHBondContact CA-O 3.15Å
431	V	87.6	Confident	71.4	Confident	26 Å²	26	64 Å²	64	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.3	164.9	-58.5	0	0	0	0	110.3	D414 A417 V478 K479 V482	D414-V431 WeakPolarHBondContact OD1-CA 3.25Å; A417-V431 VanDerWaalsContact CB-C 3.44Å; V431-V478 CarbonylContact O-C 3.58Å; V431-V478 VanDerWaalsContact O-CA 3.3Å; V431-V478 WeakPolarHBondContact O-CA 3.02Å; V431-K479 HydrophobicContact CG2-CB 4.06Å; V431-K479 PolarHBondContact N-O 3.31Å; V431-K479 PolarHBondContact O-N 3.39Å; V431-V482 HydrophobicContact CG2-CG2 4.08Å
432	A	87.1	Confident	70.7	Confident	33 Å²	33	66.4 Å²	66.4	27%	0.273	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.1	168.7	0	0	0	0	0	110.4	D414	D414-A432 PolarHBondContact OD1-N 2.03Å
433	A	81.9	Confident	70.3	Confident	17 Å²	17	64.2 Å²	64.2	14%	0.14	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.9	-178.1	0	0	0	0	0	111.1	F436 G477 K479	A433-F436 HydrophobicContact CB-CE2 3.58Å; A433-F436 HydrophobicContact CB-CZ 3.81Å; A433-G477 PolarHBondContact N-O 2.76Å; A433-G477 CarbonylContact O-C 3.6Å; A433-G477 VanDerWaalsContact O-C 3.22Å; A433-G477 WeakPolarHBondContact O-CA 3.46Å; A433-G477 PolarHBondContact O-N 2.74Å; A433-G477 VanDerWaalsContact O-O 3.09Å; A433-K479 HydrophobicContact CB-CD 4.33Å; A433-K479 HydrophobicContact CB-CG 3.88Å
434	R	78.3	Confident	70.1	Confident	160 Å²	160	63.7 Å²	63.7	60%	0.604	39%	0.389	S	S	*	.			trans	-137.7	159.7	-177.9	-59	-177.4	-174.5	-142.1	-7.4	109.5	D409	D409-R434 IonicContact OD1-CZ 3.85Å; D409-R434 IonicContact OD1-NH1 2.71Å; D409-R434 PolarHBondContact OD1-NH1 2.86Å; D409-R434 IonicContact OD1-NH2 2.93Å; D409-R434 PolarHBondContact OD1-NH2 3.09Å; D409-R434 IonicContact OD2-CZ 2.95Å; D409-R434 IonicContact OD2-NE 3.27Å; D409-R434 IonicContact OD2-NH1 3.48Å; D409-R434 PolarHBondContact OD2-NH1 2.75Å; D409-R434 IonicContact OD2-NH2 3.95Å
435	G	70.1	Confident	70.6	Confident	76 Å²	76	61.7 Å²	61.7	78%	0.784	38%	0.379	S	S	*	.			trans	100.7	7.3	170.4	0	0	0	0	0	116.8	G437	G435-G437 PolarHBondContact O-N 3.48Å
436	F	75.8	Confident	71.3	Confident	20 Å²	20	59.1 Å²	59.1	9%	0.088	35%	0.348	C	S	.	.	S	Bend	trans	-75	33	178.7	-56.9	-69.6	0	0	0	114.6	G387 E393 G394 R395 A433 V478 K479	G387-F436 WeakPolarHBondContact O-CB 2.99Å; E393-F436 HydrophobicContact CB-CE1 4.05Å; E393-F436 HydrophobicContact CB-CZ 4.06Å; E393-F436 HydrophobicContact CG-CE1 4.38Å; G394-F436 VanDerWaalsContact C-CG 3.46Å; G394-F436 VanDerWaalsContact O-CD2 3.29Å; G394-F436 WeakPolarHBondContact O-CD2 3.05Å; G394-F436 VanDerWaalsContact O-CE2 3.31Å; G394-F436 WeakPolarHBondContact O-CE2 3.05Å; R395-F436 HydrophobicContact CB-CB 4.07Å; R395-F436 VanDerWaalsContact N-CB 3.32Å; R395-F436 VanDerWaalsContact N-CD2 3.33Å; R395-F436 PolarHBondContact NH1-O 2.59Å; A433-F436 HydrophobicContact CB-CE2 3.58Å; A433-F436 HydrophobicContact CB-CZ 3.81Å; F436-V478 WeakPolarHBondContact CE2-O 3.46Å; F436-V478 WeakPolarHBondContact CZ-O 3.26Å; F436-K479 HydrophobicContact CZ-CG 3.86Å
437	G	63.7	Low	71.4	Confident	53 Å²	53	60.8 Å²	60.8	55%	0.546	36%	0.356	S	S	.	.			trans	68.9	173.7	-166.5	0	0	0	0	0	113.7	R395 G435	R395-G437 VanDerWaalsContact NH1-C 3.28Å; R395-G437 PolarHBondContact NH1-O 2.89Å; G435-G437 PolarHBondContact O-N 3.48Å
438	Q	66.6	Low	71.9	Confident	100 Å²	100	54.9 Å²	54.9	47%	0.467	32%	0.315	S	S	.	.			trans	-89.5	145.7	-177.3	-167.2	-153.7	-72.5	0	0	111.6	R472 D475	Q438-R472 HydrophobicContact CG-CB 4.13Å; Q438-R472 WeakPolarHBondContact CG-O 3.47Å; Q438-R472 PolarHBondContact OE1-O 3.5Å; Q438-D475 WeakPolarHBondContact CA-OD2 3.34Å
439	G	59.5	Low	72.3	Confident	5 Å²	5	60.2 Å²	60.2	5%	0.052	33%	0.325	C	S	.	.			trans	-59.5	145.8	166.9	0	0	0	0	0	112.8	D475	G439-D475 PolarHBondContact N-OD2 3.41Å
440	K	56	Low	72.3	Confident	200 Å²	200	53.8 Å²	53.8	87%	0.87	30%	0.302	S	S	*	.	S	Bend	trans	-97.1	-23.3	174.5	-67.5	-178.3	-178.4	174.7	0	113.3
441	G	59.8	Low	71.8	Confident	42 Å²	42	57.7 Å²	57.7	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	-89	-166.1	177.2	0	0	0	0	0	113.9
442	P	62.2	Low	70.9	Confident	50 Å²	50	57.2 Å²	57.2	33%	0.325	32%	0.324	S	S	.	.			trans	-70.6	172.3	172.7	32.7	-37	0	0	0	112.2	D403 G405 S406 H444	D403-P442 WeakPolarHBondContact OD2-CD 3.43Å; D403-P442 VanDerWaalsContact OD2-CG 3.25Å; D403-P442 WeakPolarHBondContact OD2-CG 3.43Å; G405-P442 CarbonylContact C-O 3.59Å; G405-P442 WeakPolarHBondContact CA-O 3.41Å; S406-P442 PolarHBondContact N-O 3.31Å; P442-H444 WeakPolarHBondContact CG-CE1 3.39Å
443	I	70.7	Confident	70	Confident	51 Å²	51	64.1 Å²	64.1	26%	0.262	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.4	162.3	-61.1	175.6	0	0	0	106.8	S406 C408 L445 C470	S406-I443 CarbonylContact O-C 3.59Å; S406-I443 WeakPolarHBondContact O-CA 3.5Å; C408-I443 HydrophobicContact CB-CG2 4.13Å; I443-L445 WeakPolarHBondContact CG2-O 3.46Å; I443-C470 HydrophobicContact CD1-CB 3.84Å
444	H	67.3	Low	69.8	Low	33 Å²	33	64.3 Å²	64.3	15%	0.153	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-33	-177.3	-81.6	-27.8	0	0	0	113.2	V398 L400 D403 G405 S406 P442	V398-H444 HydrophobicContact CG2-CB 3.89Å; V398-H444 PolarHBondContact O-CD2 3.03Å; L400-H444 HydrophobicContact CD1-CB 4.12Å; L400-H444 PolarHBondContact O-NE2 3.16Å; D403-H444 PolarHBondContact O-NE2 3.05Å; D403-H444 IonicContact OD1-CE1 2.71Å; D403-H444 PolarHBondContact OD1-CE1 2.91Å; D403-H444 IonicContact OD1-NE2 2.8Å; D403-H444 PolarHBondContact OD1-NE2 2.96Å; D403-H444 IonicContact OD2-CE1 2.45Å; D403-H444 IonicContact OD2-NE2 2.9Å; G405-H444 VanDerWaalsContact CA-CD2 3.43Å; G405-H444 WeakPolarHBondContact CA-CD2 3.46Å; G405-H444 PolarHBondContact N-CD2 3.21Å; G405-H444 VanDerWaalsContact N-CD2 3.27Å; S406-H444 PolarHBondContact O-N 3.06Å; P442-H444 WeakPolarHBondContact CG-CE1 3.39Å
445	L	71.9	Confident	69.4	Low	17 Å²	17	62.6 Å²	62.6	9%	0.089	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.4	-175.9	-57.8	173.9	0	0	0	111.3	V398 L400 I407 C408 I443 V448	V398-L445 HydrophobicContact CG1-CD1 4.3Å; V398-L445 HydrophobicContact CG2-CD1 4.03Å; V398-L445 HydrophobicContact CG2-CG 4.26Å; L400-L445 HydrophobicContact CD1-CD1 4.41Å; L400-L445 HydrophobicContact CD1-CD2 3.95Å; L400-L445 HydrophobicContact CD1-CG 4.14Å; I407-L445 WeakPolarHBondContact CA-O 3.38Å; I407-L445 HydrophobicContact CD1-CD1 4.04Å; I407-L445 HydrophobicContact CG1-CB 4.19Å; I407-L445 HydrophobicContact CG1-CD1 4.32Å; I407-L445 HydrophobicContact CG2-CB 4.12Å; C408-L445 PolarHBondContact N-O 2.83Å; I443-L445 WeakPolarHBondContact CG2-O 3.46Å; L445-V448 HydrophobicContact CB-CG2 3.6Å; L445-V448 HydrophobicContact CD1-CG2 4.12Å; L445-V448 HydrophobicContact CG-CG2 4.45Å
446	D	74.8	Confident	69.5	Low	14 Å²	14	61 Å²	61	8%	0.075	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-122.2	152.1	168.5	179.2	45.5	0	0	0	110.5	C408 S410 V448 L463 V467	C408-D446 HydrophobicContact CB-CB 4.4Å; C408-D446 WeakPolarHBondContact CB-OD1 3.08Å; S410-D446 WeakPolarHBondContact CB-OD1 3.42Å; D446-V448 PolarHBondContact O-N 3.47Å; D446-V448 VanDerWaalsContact O-N 3.14Å; D446-L463 PolarHBondContact O-N 2.78Å; D446-V467 HydrophobicContact CB-CG1 4.45Å; D446-V467 HydrophobicContact CB-CG2 3.77Å
447	Q	69.7	Low	69.4	Low	64 Å²	64	60 Å²	60	30%	0.299	31%	0.313	S	S	.	.	S	Bend	trans	50.9	38.5	176.2	-71.8	172.9	79.8	0	0	114.6	S410 R449 L463	S410-Q447 WeakPolarHBondContact O-CA 3.13Å; Q447-R449 WeakPolarHBondContact O-CG 3.32Å; Q447-R449 PolarHBondContact O-N 2.86Å; Q447-L463 HydrophobicContact CB-CD1 4.29Å
448	V	77.4	Confident	69.6	Low	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.303	C	S	.	.			trans	-61.3	122.7	173.7	-169.6	0	0	0	0	109.4	I407 W412 N416 L445 D446 L457 C460 P461	I407-V448 HydrophobicContact CG2-CG2 3.67Å; W412-V448 HydrophobicContact CE3-CB 4.21Å; W412-V448 HydrophobicContact CZ3-CB 4.05Å; W412-V448 HydrophobicContact CZ3-CG1 4.21Å; W412-V448 HydrophobicContact CZ3-CG2 4.34Å; N416-V448 PolarHBondContact ND2-O 3.05Å; L445-V448 HydrophobicContact CB-CG2 3.6Å; L445-V448 HydrophobicContact CD1-CG2 4.12Å; L445-V448 HydrophobicContact CG-CG2 4.45Å; D446-V448 PolarHBondContact O-N 3.47Å; D446-V448 VanDerWaalsContact O-N 3.14Å; V448-L457 HydrophobicContact CG1-CD1 3.97Å; V448-C460 HydrophobicContact CG1-CB 3.64Å; V448-P461 CarbonylContact C-O 3.52Å; V448-P461 WeakPolarHBondContact CA-O 3.43Å
449	R	77	Confident	69.8	Low	147 Å²	147	58 Å²	58	56%	0.555	30%	0.298	S	S	*	.			trans	-128.7	80.6	-177	-70.1	175.9	-163.6	-154.9	7	111.3	Q447 P461	Q447-R449 WeakPolarHBondContact O-CG 3.32Å; Q447-R449 PolarHBondContact O-N 2.86Å; R449-P461 PolarHBondContact N-O 2.76Å
450	C	76.6	Confident	70.5	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.061	30%	0.296	C	S	.	.			trans	-67.6	144.2	171.8	-56.5	0	0	0	0	111.5	N416 V419 G452 C460	N416-C450 PolarHBondContact ND2-N 2.03Å; N416-C450 PolarHBondContact ND2-SG 3.07Å; V419-C450 HydrophobicContact CG2-CB 3.8Å; C450-G452 VanDerWaalsContact C-N 3.26Å; C450-C460 WeakPolarHBondContact CA-SG 3.3Å; C450-C460 HydrophobicContact CB-CB 3.95Å; C450-C460 WeakPolarHBondContact CB-SG 3.4Å; C450-C460 WeakPolarHBondContact SG-CB 3.46Å; C450-C460 CovalentContact SG-SG 2.03Å; C450-C460 PolarHBondContact SG-SG 3.09Å
451	T	73.1	Confident	71.5	Confident	94 Å²	94	52.6 Å²	52.6	58%	0.577	28%	0.282	S	S	*	.			trans	-79.1	-11.8	165.7	67.2	0	0	0	0	112.5	E454	T451-E454 VanDerWaalsContact CB-OE1 3.3Å; T451-E454 WeakPolarHBondContact CB-OE1 3.42Å; T451-E454 WeakPolarHBondContact CG2-OE1 3.46Å; T451-E454 VanDerWaalsContact N-CD 3.28Å; T451-E454 PolarHBondContact N-OE1 2.6Å; T451-E454 PolarHBondContact N-OE2 2.61Å; T451-E454 VanDerWaalsContact OG1-CD 3.24Å; T451-E454 PolarHBondContact OG1-OE1 3.11Å; T451-E454 PolarHBondContact OG1-OE2 2.99Å
452	G	68.4	Low	72	Confident	15 Å²	15	53.1 Å²	53.1	16%	0.155	28%	0.28	C	S	.	.	S	Bend	trans	87.4	4.4	-176.2	0	0	0	0	0	113.3	R422 C450 E454	R422-G452 PolarHBondContact NH2-O 2.75Å; C450-G452 VanDerWaalsContact C-N 3.26Å; G452-E454 PolarHBondContact N-OE2 2.94Å
453	K	69.6	Low	71.9	Confident	178 Å²	178	55.7 Å²	55.7	77%	0.774	29%	0.29	S	S	*	.			trans	-106.1	-20.6	179.8	-67.9	-174.2	177.3	-176.9	0	113.7	R422	R422-K453 PolarHBondContact NH1-O 3.47Å
454	E	78.2	Confident	70.8	Confident	21 Å²	21	56 Å²	56	10%	0.098	31%	0.306	C	S	.	.			trans	-52.2	140.6	174.9	-59.6	78.4	-169	0	0	109.9	V419 R422 T451 G452 E459	V419-E454 HydrophobicContact CG1-CB 4.03Å; V419-E454 HydrophobicContact CG2-CB 3.97Å; R422-E454 PolarHBondContact NH1-O 3.03Å; T451-E454 VanDerWaalsContact CB-OE1 3.3Å; T451-E454 WeakPolarHBondContact CB-OE1 3.42Å; T451-E454 WeakPolarHBondContact CG2-OE1 3.46Å; T451-E454 VanDerWaalsContact N-CD 3.28Å; T451-E454 PolarHBondContact N-OE1 2.6Å; T451-E454 PolarHBondContact N-OE2 2.61Å; T451-E454 VanDerWaalsContact OG1-CD 3.24Å; T451-E454 PolarHBondContact OG1-OE1 3.11Å; T451-E454 PolarHBondContact OG1-OE2 2.99Å; G452-E454 PolarHBondContact N-OE2 2.94Å; E454-E459 VanDerWaalsContact CA-OE2 3.32Å; E454-E459 WeakPolarHBondContact CA-OE2 3.41Å; E454-E459 HydrophobicContact CB-CB 4.02Å; E454-E459 WeakPolarHBondContact CB-OE2 3.31Å; E454-E459 HydrophobicContact CG-CB 3.89Å
455	E	69.4	Low	70	Confident	125 Å²	125	60.9 Å²	60.9	58%	0.584	33%	0.332	S	S	*	.	S	Bend	trans	-83.4	-32.2	174.3	-63.8	-166.4	150.5	0	0	110.4	E459	E455-E459 PolarHBondContact N-OE2 2.89Å
456	F	71.6	Confident	69	Low	41 Å²	41	67.5 Å²	67.5	18%	0.18	37%	0.368	C	S	.	.	S	Bend	trans	-129.5	145.4	-179	-45.3	-86.3	0	0	0	112	S378 T379 Q423 G458 E459	S378-F456 VanDerWaalsContact O-CE2 3.23Å; S378-F456 WeakPolarHBondContact O-CE2 3.23Å; S378-F456 WeakPolarHBondContact O-CZ 3.25Å; T379-F456 WeakPolarHBondContact O-CD1 3.36Å; T379-F456 WeakPolarHBondContact O-CE1 3.42Å; Q423-F456 HydrophobicContact CG-CD1 3.88Å; F456-G458 PolarHBondContact O-N 3.02Å; F456-G458 VanDerWaalsContact O-N 3.1Å; F456-E459 HydrophobicContact CB-CG 4.39Å; F456-E459 PolarHBondContact N-OE2 2.93Å; F456-E459 WeakPolarHBondContact O-CB 2.99Å; F456-E459 WeakPolarHBondContact O-CG 3.08Å; F456-E459 PolarHBondContact O-N 3.34Å
457	L	73.8	Confident	67.8	Low	1 Å²	1	69.6 Å²	69.6	1%	0.005	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.4	-26.4	-175.5	-170.4	63.1	0	0	0	113.9	V383 V396 V398 I407 W412 V419 V420 V448 E459 C460	V383-L457 HydrophobicContact CG2-CB 4.12Å; V383-L457 HydrophobicContact CG2-CD2 4.25Å; V396-L457 HydrophobicContact CG1-CD2 4.29Å; V398-L457 HydrophobicContact CG1-CD2 3.85Å; I407-L457 HydrophobicContact CD1-CD2 3.4Å; W412-L457 HydrophobicContact CH2-CD1 3.85Å; W412-L457 HydrophobicContact CH2-CD2 3.98Å; W412-L457 HydrophobicContact CZ3-CD1 4.07Å; W412-L457 HydrophobicContact CZ3-CD2 4.38Å; V419-L457 HydrophobicContact CG1-CB 4.46Å; V419-L457 HydrophobicContact CG1-CD1 4.49Å; V420-L457 HydrophobicContact CG2-CD1 4Å; V420-L457 HydrophobicContact CG2-CD2 3.77Å; V420-L457 HydrophobicContact CG2-CG 4.36Å; V448-L457 HydrophobicContact CG1-CD1 3.97Å; L457-E459 PolarHBondContact O-N 3.47Å; L457-C460 WeakPolarHBondContact O-CB 3.45Å; L457-C460 PolarHBondContact O-N 2.74Å
458	G	68.1	Low	66.9	Low	34 Å²	34	76.2 Å²	76.2	35%	0.351	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-71.6	-10.2	176.6	0	0	0	0	0	115.1	F456	F456-G458 PolarHBondContact O-N 3.02Å; F456-G458 VanDerWaalsContact O-N 3.1Å
459	E	70.1	Confident	65.8	Low	76 Å²	76	78.8 Å²	78.8	36%	0.355	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-82.8	-19.1	172.3	-54.5	178.6	143.7	0	0	111.5	E454 E455 F456 L457 P461	E454-E459 VanDerWaalsContact CA-OE2 3.32Å; E454-E459 WeakPolarHBondContact CA-OE2 3.41Å; E454-E459 HydrophobicContact CB-CB 4.02Å; E454-E459 WeakPolarHBondContact CB-OE2 3.31Å; E454-E459 HydrophobicContact CG-CB 3.89Å; E455-E459 PolarHBondContact N-OE2 2.89Å; F456-E459 HydrophobicContact CB-CG 4.39Å; F456-E459 PolarHBondContact N-OE2 2.93Å; F456-E459 WeakPolarHBondContact O-CB 2.99Å; F456-E459 WeakPolarHBondContact O-CG 3.08Å; F456-E459 PolarHBondContact O-N 3.34Å; L457-E459 PolarHBondContact O-N 3.47Å; E459-P461 WeakPolarHBondContact O-CD 3.43Å
460	C	74.6	Confident	65	Low	3 Å²	3	73 Å²	73	2%	0.02	42%	0.42	C	S	.	.	S	Bend	trans	-73.9	126	179.8	-55.2	0	0	0	0	110.9	V448 C450 L457 S462	V448-C460 HydrophobicContact CG1-CB 3.64Å; C450-C460 WeakPolarHBondContact CA-SG 3.3Å; C450-C460 HydrophobicContact CB-CB 3.95Å; C450-C460 WeakPolarHBondContact CB-SG 3.4Å; C450-C460 WeakPolarHBondContact SG-CB 3.46Å; C450-C460 CovalentContact SG-SG 2.03Å; C450-C460 PolarHBondContact SG-SG 3.09Å; L457-C460 WeakPolarHBondContact O-CB 3.45Å; L457-C460 PolarHBondContact O-N 2.74Å; C460-S462 PolarHBondContact O-N 3.14Å
461	P	76.4	Confident	64.1	Low	88 Å²	88	81.6 Å²	81.6	57%	0.571	45%	0.452	S	S	*	.			trans	-51.6	131.2	174.1	-29.4	35.8	0	0	0	112.6	V448 R449 E459	V448-P461 CarbonylContact C-O 3.52Å; V448-P461 WeakPolarHBondContact CA-O 3.43Å; R449-P461 PolarHBondContact N-O 2.76Å; E459-P461 WeakPolarHBondContact O-CD 3.43Å
462	S	70.8	Confident	63.2	Low	54 Å²	54	86.3 Å²	86.3	38%	0.378	46%	0.459	S	S	.	.			trans	-147.9	162.3	-177.4	55.3	0	0	0	0	110.6	C460	C460-S462 PolarHBondContact O-N 3.14Å
463	L	59.4	Low	62.5	Low	103 Å²	103	96.8 Å²	96.8	54%	0.539	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-100.2	104.1	177.6	-83.6	163.8	0	0	0	110.3	D446 Q447	D446-L463 PolarHBondContact O-N 2.78Å; Q447-L463 HydrophobicContact CB-CD1 4.29Å
464	G	49.4	Very low	62.2	Low	58 Å²	58	91.4 Å²	91.4	60%	0.598	47%	0.471	S	S	*	.			trans	-77.6	138.9	179.2	0	0	0	0	0	113.8	N466	G464-N466 PolarHBondContact O-N 3.34Å
465	L	50.4	Low	62.1	Low	136 Å²	136	91.1 Å²	91.1	71%	0.712	47%	0.471	S	S	*	.	S	Bend	trans	57.9	49.1	155.6	-60.5	172.7	0	0	0	118
466	N	49.4	Very low	62.9	Low	155 Å²	155	85.2 Å²	85.2	83%	0.829	44%	0.443	S	S	*	.			trans	-174.6	103.3	137.9	-107.9	-71.1	0	0	0	112	G464	G464-N466 PolarHBondContact O-N 3.34Å
467	V	49.6	Very low	63.6	Low	58 Å²	58	83.2 Å²	83.2	35%	0.352	43%	0.434	S	S	.	.			trans	-112.4	79.2	-175.8	-169.3	0	0	0	0	112	D446 G469 C470	D446-V467 HydrophobicContact CB-CG1 4.45Å; D446-V467 HydrophobicContact CB-CG2 3.77Å; V467-G469 VanDerWaalsContact C-N 3.27Å; V467-G469 PolarHBondContact O-N 3.48Å; V467-G469 VanDerWaalsContact O-N 3.09Å; V467-C470 HydrophobicContact CG1-CB 3.93Å
468	Q	51.2	Low	64.3	Low	203 Å²	203	83.2 Å²	83.2	95%	0.949	43%	0.434	S	S	*	.	S	Bend	trans	-76.4	79.1	158.9	-75.9	-168.6	-13.4	0	0	109.6
469	G	53.8	Low	65	Low	56 Å²	56	84.5 Å²	84.5	58%	0.577	43%	0.43	S	S	*	.	S	Bend	trans	-173.7	-71.5	179.7	0	0	0	0	0	114.6	V467 R471	V467-G469 VanDerWaalsContact C-N 3.27Å; V467-G469 PolarHBondContact O-N 3.48Å; V467-G469 VanDerWaalsContact O-N 3.09Å; G469-R471 PolarHBondContact O-N 3.42Å
470	C	60.6	Low	65.5	Low	24 Å²	24	81 Å²	81	16%	0.162	41%	0.414	C	S	.	.			trans	-58.8	128.3	-171.2	-62.3	0	0	0	0	112.8	C408 I443 V467	C408-C470 HydrophobicContact CB-CB 3.87Å; C408-C470 WeakPolarHBondContact CB-SG 3.48Å; C408-C470 WeakPolarHBondContact SG-CB 3.04Å; C408-C470 CovalentContact SG-SG 2.03Å; C408-C470 PolarHBondContact SG-SG 3.46Å; I443-C470 HydrophobicContact CD1-CB 3.84Å; V467-C470 HydrophobicContact CG1-CB 3.93Å
471	R	57.9	Low	65.7	Low	190 Å²	190	82.6 Å²	82.6	72%	0.717	42%	0.423	S	S	*	.			trans	-93.3	154.7	176.7	-65.1	178.2	172.2	-176.9	-2.4	109.4	G469 R473 E474	G469-R471 PolarHBondContact O-N 3.42Å; R471-R473 PolarHBondContact O-N 2.03Å; R471-E474 PolarHBondContact N-OE2 2.86Å; R471-E474 PolarHBondContact O-N 3.3Å; R471-E474 VanDerWaalsContact O-N 3.1Å
472	R	53.5	Low	65.6	Low	194 Å²	194	80.2 Å²	80.2	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	45.7	179.6	-57.4	-173.8	-175	171.7	-2.3	114.2	Q438	Q438-R472 HydrophobicContact CG-CB 4.13Å; Q438-R472 WeakPolarHBondContact CG-O 3.47Å; Q438-R472 PolarHBondContact OE1-O 3.5Å
473	R	53.8	Low	65	Low	234 Å²	234	85.4 Å²	85.4	88%	0.883	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	-2	169.5	-68.7	-169.7	175.4	-170.6	-2.4	112	R471	R471-R473 PolarHBondContact O-N 2.03Å
474	E	64	Low	64.4	Low	65 Å²	65	85.7 Å²	85.7	30%	0.304	43%	0.433	S	S	.	.			trans	-110.1	37.6	-172	-66.8	152.6	-179.9	0	0	109.8	C408 D409 R471	C408-E474 CarbonylContact C-O 3.11Å; C408-E474 WeakPolarHBondContact CA-O 3.31Å; D409-E474 WeakPolarHBondContact CB-O 3.48Å; D409-E474 PolarHBondContact N-O 3.37Å; D409-E474 VanDerWaalsContact OD2-C 3.3Å; D409-E474 WeakPolarHBondContact OD2-CA 3.22Å; R471-E474 PolarHBondContact N-OE2 2.86Å; R471-E474 PolarHBondContact O-N 3.3Å; R471-E474 VanDerWaalsContact O-N 3.1Å
475	D	77.3	Confident	63.9	Low	16 Å²	16	93.9 Å²	93.9	9%	0.086	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-79.1	127.8	176.2	-67.3	-51.4	0	0	0	110.4	R395 S406 Q438 G439	R395-D475 HydrophobicContact CG-CB 3.99Å; S406-D475 WeakPolarHBondContact CB-OD1 3.43Å; S406-D475 PolarHBondContact OG-OD1 2.88Å; Q438-D475 WeakPolarHBondContact CA-OD2 3.34Å; G439-D475 PolarHBondContact N-OD2 3.41Å
476	A	85.3	Confident	63.3	Low	0 Å²	0	99.3 Å²	99.3	0%	0	46%	0.456	C	S	.	.			trans	-66.6	144.9	177.8	0	0	0	0	0	112.6	R395 V396 I407 D409 W412	R395-A476 CarbonylContact C-O 3.56Å; R395-A476 WeakPolarHBondContact CA-O 3.45Å; R395-A476 WeakPolarHBondContact CG-O 3.36Å; V396-A476 PolarHBondContact N-O 2.77Å; I407-A476 HydrophobicContact CB-CB 4.07Å; I407-A476 HydrophobicContact CG2-CB 4.24Å; I407-A476 WeakPolarHBondContact O-CB 3.49Å; I407-A476 PolarHBondContact O-N 3.4Å; D409-A476 HydrophobicContact CB-CB 4.31Å; W412-A476 HydrophobicContact CB-CB 4.17Å; W412-A476 HydrophobicContact CD2-CB 3.58Å; W412-A476 HydrophobicContact CE3-CB 4.08Å; W412-A476 HydrophobicContact CG-CB 3.6Å
477	G	86.2	Confident	62.5	Low	0 Å²	0	96.8 Å²	96.8	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	171.2	176.7	0	0	0	0	0	112.3	G394 W412 A433	G394-G477 CarbonylContact O-C 3.47Å; G394-G477 WeakPolarHBondContact O-CA 3.28Å; W412-G477 PolarHBondContact NE1-O 3.37Å; W412-G477 VanDerWaalsContact NE1-O 3.13Å; A433-G477 PolarHBondContact N-O 2.76Å; A433-G477 CarbonylContact O-C 3.6Å; A433-G477 VanDerWaalsContact O-C 3.22Å; A433-G477 WeakPolarHBondContact O-CA 3.46Å; A433-G477 PolarHBondContact O-N 2.74Å; A433-G477 VanDerWaalsContact O-O 3.09Å
478	V	88.8	Confident	61.8	Low	0 Å²	0	99.1 Å²	99.1	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.3	178.9	-55.6	0	0	0	0	111.6	L385 E393 G394 V396 W412 A417 V420 V431 F436	L385-V478 HydrophobicContact CD1-CG2 3.77Å; L385-V478 HydrophobicContact CD2-CG2 3.38Å; L385-V478 HydrophobicContact CG-CG2 4.25Å; E393-V478 WeakPolarHBondContact CA-O 3.19Å; G394-V478 PolarHBondContact N-O 3.37Å; G394-V478 VanDerWaalsContact N-O 3.14Å; G394-V478 PolarHBondContact O-N 3.31Å; V396-V478 HydrophobicContact CG2-CB 4.46Å; V396-V478 HydrophobicContact CG2-CG1 3.67Å; V396-V478 HydrophobicContact CG2-CG2 4.15Å; W412-V478 HydrophobicContact CZ2-CG1 4Å; A417-V478 HydrophobicContact CB-CB 4.06Å; A417-V478 HydrophobicContact CB-CG1 3.51Å; V420-V478 HydrophobicContact CB-CG1 4.33Å; V420-V478 HydrophobicContact CG1-CG1 4.18Å; V420-V478 HydrophobicContact CG1-CG2 3.92Å; V431-V478 CarbonylContact O-C 3.58Å; V431-V478 VanDerWaalsContact O-CA 3.3Å; V431-V478 WeakPolarHBondContact O-CA 3.02Å; F436-V478 WeakPolarHBondContact CE2-O 3.46Å; F436-V478 WeakPolarHBondContact CZ-O 3.26Å
479	K	82.5	Confident	61	Low	61 Å²	61	94.8 Å²	94.8	27%	0.265	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.5	158.8	-58.9	-179.6	178.9	-69.8	0	107.7	K392 E393 A430 V431 A433 F436 V482	K392-K479 CarbonylContact O-C 3.59Å; E393-K479 HydrophobicContact CB-CB 4.17Å; E393-K479 HydrophobicContact CB-CG 3.76Å; E393-K479 IonicContact OE1-NZ 3.29Å; E393-K479 PolarHBondContact OE1-NZ 3.38Å; E393-K479 IonicContact OE2-NZ 3.11Å; E393-K479 PolarHBondContact OE2-NZ 2.99Å; A430-K479 CarbonylContact C-O 3.58Å; A430-K479 VanDerWaalsContact CA-O 3.31Å; A430-K479 WeakPolarHBondContact CA-O 3.15Å; V431-K479 HydrophobicContact CG2-CB 4.06Å; V431-K479 PolarHBondContact N-O 3.31Å; V431-K479 PolarHBondContact O-N 3.39Å; A433-K479 HydrophobicContact CB-CD 4.33Å; A433-K479 HydrophobicContact CB-CG 3.88Å; F436-K479 HydrophobicContact CZ-CG 3.86Å; K479-V482 HydrophobicContact CB-CG2 3.35Å; K479-V482 WeakPolarHBondContact O-CG2 3.49Å
480	C	81.1	Confident	59.8	Low	4 Å²	4	101.7 Å²	101.7	3%	0.027	48%	0.477	C	S	.	.			trans	-101	158.3	-178.7	-51.5	0	0	0	0	110.8	K392 C421 H426 V482	K392-C480 HydrophobicContact CB-CB 4.37Å; K392-C480 WeakPolarHBondContact O-CB 2.94Å; K392-C480 PolarHBondContact O-N 3.02Å; C421-C480 VanDerWaalsContact CA-SG 3.54Å; C421-C480 HydrophobicContact CB-CB 3.74Å; C421-C480 WeakPolarHBondContact CB-SG 3.39Å; C421-C480 WeakPolarHBondContact SG-CA 3.41Å; C421-C480 WeakPolarHBondContact SG-CB 3.3Å; C421-C480 CovalentContact SG-SG 2.03Å; C421-C480 PolarHBondContact SG-SG 2.76Å; H426-C480 HydrophobicContact CB-CB 3.74Å; C480-V482 PolarHBondContact O-N 2.94Å
481	D	79.1	Confident	58.3	Low	36 Å²	36	106.9 Å²	106.9	19%	0.193	51%	0.509	C	S	.	.	S	Bend	trans	44.3	37.6	-176.5	-41.1	-39	0	0	0	114.4	K392 H426 G428 R429 E483	K392-D481 HydrophobicContact CD-CB 4.09Å; K392-D481 WeakPolarHBondContact CE-OD2 3.29Å; K392-D481 IonicContact NZ-OD2 3.22Å; K392-D481 PolarHBondContact NZ-OD2 2.03Å; H426-D481 WeakPolarHBondContact CB-OD1 3.41Å; H426-D481 IonicContact CE1-OD2 2.76Å; H426-D481 IonicContact CG-OD2 3.2Å; H426-D481 IonicContact ND1-OD1 3.82Å; H426-D481 IonicContact ND1-OD2 3.53Å; H426-D481 PolarHBondContact ND1-OD2 3.11Å; G428-D481 VanDerWaalsContact CA-OD1 3.23Å; G428-D481 WeakPolarHBondContact CA-OD1 3.28Å; G428-D481 PolarHBondContact N-OD1 2.99Å; R429-D481 PolarHBondContact O-N 2.82Å; D481-E483 PolarHBondContact O-N 3.16Å
482	V	73.4	Confident	56.7	Low	38 Å²	38	107.2 Å²	107.2	23%	0.23	52%	0.515	C	S	.	.			trans	-71	100.6	-172.9	179.7	0	0	0	0	109.7	R429 V431 K479 C480	R429-V482 PolarHBondContact NE-O 3.31Å; R429-V482 WeakPolarHBondContact O-CB 3.49Å; R429-V482 PolarHBondContact O-N 2.72Å; V431-V482 HydrophobicContact CG2-CG2 4.08Å; K479-V482 HydrophobicContact CB-CG2 3.35Å; K479-V482 WeakPolarHBondContact O-CG2 3.49Å; C480-V482 PolarHBondContact O-N 2.94Å
483	E	58.3	Low	55.8	Low	163 Å²	163	103.2 Å²	103.2	76%	0.762	51%	0.514	S	S	*	.			trans	-44.2	135.4	170.9	-70.7	-168.5	-178.4	0	0	110.4	D481 R485	D481-E483 PolarHBondContact O-N 3.16Å; E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.1Å
484	P	46.7	Very low	55.2	Low	109 Å²	109	100.6 Å²	100.6	71%	0.708	51%	0.512	S	S	*	.			trans	-66.3	95.1	173.1	28.2	-32.9	0	0	0	108.3	R486	P484-R486 PolarHBondContact O-N 3.23Å; P484-R486 VanDerWaalsContact O-N 3.1Å
485	R	38.3	Very low	53.7	Low	229 Å²	229	105.8 Å²	105.8	86%	0.864	54%	0.542	S	S	*	.			trans	-40.4	122.2	174.4	-88.1	-172.6	167.7	-172.8	-4	108.9	E483 S487	E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.1Å; R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 3.38Å; R485-S487 PolarHBondContact O-OG 2.91Å
486	R	39.2	Very low	52.4	Low	251 Å²	251	110.8 Å²	110.8	95%	0.947	57%	0.565	S	S	*	*			trans	-57.6	98.1	173.5	-73.8	-174.9	177.6	-176	1.3	108.8	P484 A488	P484-R486 PolarHBondContact O-N 3.23Å; P484-R486 VanDerWaalsContact O-N 3.1Å; R486-A488 PolarHBondContact O-N 3.4Å
487	S	32.3	Very low	51.4	Low	101 Å²	101	114.3 Å²	114.3	71%	0.706	59%	0.589	S	S	*	*			trans	-61	106.7	178.9	-60.4	0	0	0	0	108.9	R485 V489	R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 3.38Å; R485-S487 PolarHBondContact O-OG 2.91Å; S487-V489 PolarHBondContact O-N 3.17Å
488	A	35.6	Very low	51.1	Low	107 Å²	107	115.7 Å²	115.7	88%	0.884	60%	0.599	S	S	*	*			trans	-72.2	51	171.2	0	0	0	0	0	111.1	R486 K490	R486-A488 PolarHBondContact O-N 3.4Å; A488-K490 PolarHBondContact O-N 2.87Å
489	V	32.5	Very low	50.5	Low	113 Å²	113	115.7 Å²	115.7	69%	0.685	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-75.3	120.5	173.8	168.3	0	0	0	0	107.1	S487 T491	S487-V489 PolarHBondContact O-N 3.17Å; V489-T491 PolarHBondContact O-N 2.72Å; V489-T491 VanDerWaalsContact O-N 3.15Å
490	K	30.4	Very low	50.1	Low	200 Å²	200	117.8 Å²	117.8	87%	0.87	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-54.3	121.9	172.7	-70	179.6	176.8	178.5	0	108.8	A488 K492	A488-K490 PolarHBondContact O-N 2.87Å; K490-K492 PolarHBondContact O-N 2.88Å
491	T	28.3	Very low	49.5	Very low	134 Å²	134	120.8 Å²	120.8	82%	0.822	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.3	118.9	-172.9	46.6	0	0	0	0	112.2	V489	V489-T491 PolarHBondContact O-N 2.72Å; V489-T491 VanDerWaalsContact O-N 3.15Å
492	K	24.7	Very low	48.5	Very low	197 Å²	197	125.8 Å²	125.8	86%	0.857	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-80.6	140.3	137.4	-76.4	-173.5	174.7	-178.3	0	107.5	K490	K490-K492 PolarHBondContact O-N 2.88Å
493	P	34.4	Very low	47.2	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-77.1	154.4	-176.2	31.4	-35.1	0	0	0	112.3
494	Q	41.8	Very low	46.4	Very low	180 Å²	180	126.8 Å²	126.8	84%	0.841	65%	0.653	S	S	*	*			trans	65	97.3	165.9	-65	175.5	-52.4	0	0	117.7
495	D	32.7	Very low	45.8	Very low	174 Å²	174	130.8 Å²	130.8	93%	0.93	66%	0.662	S	S	*	*			trans	-139	140.9	134.1	-110.5	-38.4	0	0	0	107.3
496	E	48.9	Very low	45.5	Very low	120 Å²	120	126.8 Å²	126.8	56%	0.561	66%	0.657	S	S	*	*			trans	-88.4	147.7	-159	-60.4	-170.9	149.7	0	0	115.3	C498 P549	E496-C498 PolarHBondContact O-N 3.03Å; E496-P549 WeakPolarHBondContact OE2-CD 3.29Å
497	S	65.1	Low	45.3	Very low	74 Å²	74	123.6 Å²	123.6	52%	0.517	65%	0.653	S	S	.	*			trans	-86.2	59.7	-171.3	63.2	0	0	0	0	114.7
498	C	79.4	Confident	45.1	Very low	30 Å²	30	122.3 Å²	122.3	20%	0.203	66%	0.656	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	161.3	175.4	67.8	0	0	0	0	113.6	E496 M500 A621 C623	E496-C498 PolarHBondContact O-N 3.03Å; C498-M500 VanDerWaalsContact C-N 3.29Å; C498-M500 PolarHBondContact O-N 2.74Å; C498-A621 WeakPolarHBondContact CA-O 3.39Å; C498-C623 HydrophobicContact CB-CB 3.99Å; C498-C623 WeakPolarHBondContact CB-SG 3.47Å; C498-C623 PolarHBondContact O-SG 2.81Å; C498-C623 WeakPolarHBondContact SG-CA 3.48Å; C498-C623 WeakPolarHBondContact SG-CB 3.49Å; C498-C623 CovalentContact SG-SG 2.05Å; C498-C623 PolarHBondContact SG-SG 3.42Å
499	G	75	Confident	44.9	Very low	0 Å²	0	126.6 Å²	126.6	0%	0	66%	0.655	C	S	.	*	T	Hydrogen-bonded Turn	trans	77.3	3.8	164.7	0	0	0	0	0	115.9	A621 C623 R711 W712	G499-A621 PolarHBondContact N-O 3.45Å; G499-C623 PolarHBondContact N-SG 3.17Å; G499-R711 WeakPolarHBondContact O-CA 3.34Å; G499-W712 WeakPolarHBondContact CA-O 3.14Å; G499-W712 PolarHBondContact O-N 2.92Å
500	M	75.8	Confident	45.1	Very low	105 Å²	105	128.2 Å²	128.2	52%	0.517	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-89.7	122.5	-179.3	-59.1	-60.6	-65.6	0	0	111.3	C498 N620 R711	C498-M500 VanDerWaalsContact C-N 3.29Å; C498-M500 PolarHBondContact O-N 2.74Å; M500-N620 PolarHBondContact O-ND2 3.09Å; M500-R711 HydrophobicContact SD-CG 4.25Å
501	R	68.4	Low	45.1	Very low	66 Å²	66	122.2 Å²	122.2	25%	0.249	66%	0.66	C	S	.	*	P	Polyproline II helix	trans	-102.9	129.2	171.1	-169.4	171	176.2	-136.9	-16.1	109.2	T521 T522 W525	R501-T521 VanDerWaalsContact NH2-CB 3.33Å; R501-T522 PolarHBondContact NE-O 2.78Å; R501-T522 PolarHBondContact NH2-O 3.32Å; R501-W525 HydrophobicContact CB-CH2 3.8Å; R501-W525 HydrophobicContact CB-CZ3 4.44Å; R501-W525 HydrophobicContact CG-CH2 4.48Å
502	K	56.7	Low	45.5	Very low	141 Å²	141	121.5 Å²	121.5	61%	0.613	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-92.8	138.1	165.9	-69.8	-173.3	177	-174.9	0	108.9
503	L	47	Very low	45.7	Very low	156 Å²	156	121.6 Å²	121.6	82%	0.817	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-75.7	137.2	155.4	-60.8	177.4	0	0	0	107.1
504	V	41.3	Very low	46	Very low	67 Å²	67	128 Å²	128	41%	0.406	67%	0.674	S	S	.	*			trans	-121.2	112.2	178.3	-179.9	0	0	0	0	106.8
505	E	34.3	Very low	45.4	Very low	192 Å²	192	128.8 Å²	128.8	90%	0.897	68%	0.678	S	S	*	*			trans	-76.4	127.3	161.9	-66.7	168.3	165.1	0	0	106.9
506	D	31.1	Very low	45.1	Very low	145 Å²	145	123.4 Å²	123.4	78%	0.775	66%	0.663	S	S	*	*			trans	-107.3	111.9	-175.5	-163.2	10.8	0	0	0	109.2	G508	D506-G508 VanDerWaalsContact C-N 3.27Å; D506-G508 PolarHBondContact O-N 2.62Å
507	E	34.8	Very low	44	Very low	185 Å²	185	123.6 Å²	123.6	86%	0.864	68%	0.678	S	S	*	*			trans	-71.2	81.8	178.7	-74	-166.2	140.1	0	0	110.8	K509	E507-K509 PolarHBondContact O-N 3.39Å
508	G	29.1	Very low	42.3	Very low	74 Å²	74	124.9 Å²	124.9	76%	0.763	69%	0.687	S	S	*	*			trans	-58.7	99.9	178.8	0	0	0	0	0	112.8	D506 T510	D506-G508 VanDerWaalsContact C-N 3.27Å; D506-G508 PolarHBondContact O-N 2.62Å; G508-T510 PolarHBondContact O-N 3Å
509	K	32	Very low	40.1	Very low	197 Å²	197	131.5 Å²	131.5	86%	0.857	72%	0.72	S	S	*	*			trans	-64	123.1	178.8	-72.3	178.9	179.4	171.9	0	112.1	E507 G511	E507-K509 PolarHBondContact O-N 3.39Å; K509-G511 PolarHBondContact O-N 2.87Å
510	T	35.4	Very low	38.5	Very low	147 Å²	147	139.8 Å²	139.8	90%	0.902	75%	0.751	S	S	*	*			trans	4.8	101.3	161.5	56.3	0	0	0	0	117.2	G508	G508-T510 PolarHBondContact O-N 3Å
511	G	29.9	Very low	37.2	Very low	74 Å²	74	139 Å²	139	76%	0.763	75%	0.752	S	S	*	*			trans	-154.9	130.8	165	0	0	0	0	0	109.6	K509 Q513	K509-G511 PolarHBondContact O-N 2.87Å; G511-Q513 PolarHBondContact O-N 3.44Å
512	S	37.3	Very low	36.9	Very low	119 Å²	119	136.9 Å²	136.9	83%	0.832	75%	0.746	S	S	*	*			trans	-92.3	102.5	-166.1	58.6	0	0	0	0	114
513	Q	30.3	Very low	38	Very low	198 Å²	198	130.8 Å²	130.8	93%	0.925	72%	0.72	S	S	*	*	S	Bend	trans	-168.9	171.5	143.4	-109.8	164.6	5.6	0	0	111.7	G511	G511-Q513 PolarHBondContact O-N 3.44Å
514	R	39.4	Very low	39.6	Very low	243 Å²	243	123.5 Å²	123.5	92%	0.917	68%	0.682	S	S	*	*			trans	-74.9	121	-179.5	-70.4	174.4	170.2	176	-5.9	111.1
515	E	28.9	Very low	41.7	Very low	197 Å²	197	120.3 Å²	120.3	92%	0.921	66%	0.662	S	S	*	*			trans	-162.8	168	145.7	-116.6	162.3	-160.7	0	0	110.5
516	G	28	Very low	44.3	Very low	61 Å²	61	111.4 Å²	111.4	63%	0.629	62%	0.621	S	S	*	*			trans	-77.6	161.3	-166.6	0	0	0	0	0	115.6	S518	G516-S518 VanDerWaalsContact C-N 3.31Å; G516-S518 PolarHBondContact O-N 2.83Å
517	S	25.8	Very low	47	Very low	124 Å²	124	104.5 Å²	104.5	87%	0.867	58%	0.584	S	S	*	*			trans	-73.5	75.6	175.8	45.7	0	0	0	0	112.4	L519	S517-L519 PolarHBondContact O-N 2.82Å
518	S	29.2	Very low	49.5	Very low	102 Å²	102	96.2 Å²	96.2	71%	0.713	55%	0.546	S	S	*	.			trans	-66.6	102	179.3	-56.9	0	0	0	0	112.7	G516 R520	G516-S518 VanDerWaalsContact C-N 3.31Å; G516-S518 PolarHBondContact O-N 2.83Å; S518-R520 PolarHBondContact O-N 3.46Å
519	L	31.7	Very low	52.4	Low	169 Å²	169	92.7 Å²	92.7	89%	0.885	51%	0.51	S	S	*	.			trans	-59.6	89.2	169.5	-78.8	165.7	0	0	0	111.3	S517 T521	S517-L519 PolarHBondContact O-N 2.82Å; L519-T521 PolarHBondContact O-N 2.77Å; L519-T521 VanDerWaalsContact O-N 3.14Å
520	R	42.3	Very low	55	Low	173 Å²	173	83.5 Å²	83.5	65%	0.653	47%	0.47	S	S	*	.			trans	-68.3	111.9	179.1	-72.3	-166	179.5	-161.5	5.4	110.8	S518 T522	S518-R520 PolarHBondContact O-N 3.46Å; R520-T522 PolarHBondContact O-N 2.65Å
521	T	47.9	Very low	57.3	Low	89 Å²	89	77.6 Å²	77.6	55%	0.546	43%	0.433	S	S	.	.			trans	-75.4	90.5	179.3	51.9	0	0	0	0	111.2	R501 L519 W523	R501-T521 VanDerWaalsContact NH2-CB 3.33Å; L519-T521 PolarHBondContact O-N 2.77Å; L519-T521 VanDerWaalsContact O-N 3.14Å; T521-W523 PolarHBondContact O-N 2.83Å; T521-W523 PolarHBondContact O-NE1 3.42Å
522	T	63.3	Low	59.8	Low	21 Å²	21	77.7 Å²	77.7	13%	0.129	41%	0.413	C	S	.	.			trans	-66.4	127.3	175	54.5	0	0	0	0	111.1	R501 R520 A575	R501-T522 PolarHBondContact NE-O 2.78Å; R501-T522 PolarHBondContact NH2-O 3.32Å; R520-T522 PolarHBondContact O-N 2.65Å; T522-A575 HydrophobicContact CG2-CB 4.08Å
523	W	78.8	Confident	61.5	Low	14 Å²	14	76.5 Å²	76.5	5%	0.053	41%	0.405	C	S	.	.			trans	-115.9	87.2	175.1	-66	101.7	0	0	0	108.8	T521 W525 Q526 V639 M641 A654 W712	T521-W523 PolarHBondContact O-N 2.83Å; T521-W523 PolarHBondContact O-NE1 3.42Å; W523-W525 AromaticContact CE3-CZ2 3.95Å; W523-W525 HydrophobicContact CE3-CZ2 3.95Å; W523-W525 AromaticContact CE3-NE1 3.83Å; W523-W525 HydrophobicContact CZ3-CZ2 4.21Å; W523-W525 PolarHBondContact O-N 3.44Å; W523-Q526 HydrophobicContact CB-CB 4.26Å; W523-Q526 WeakPolarHBondContact O-CB 3.46Å; W523-Q526 PolarHBondContact O-N 3.04Å; W523-V639 HydrophobicContact CH2-CB 4.41Å; W523-V639 HydrophobicContact CH2-CG1 4.11Å; W523-V639 HydrophobicContact CH2-CG2 4.05Å; W523-V639 HydrophobicContact CZ2-CG1 4.26Å; W523-M641 HydrophobicContact CB-SD 3.9Å; W523-M641 HydrophobicContact CD2-SD 3.76Å; W523-M641 HydrophobicContact CE3-SD 3.6Å; W523-M641 HydrophobicContact CG-SD 3.91Å; W523-M641 HydrophobicContact CZ3-SD 4.36Å; W523-A654 HydrophobicContact CD2-CB 4.46Å; W523-A654 HydrophobicContact CZ2-CB 3.68Å; W523-W712 HydrophobicContact CH2-CH2 4.05Å; W523-W712 HydrophobicContact CH2-CZ2 4.38Å; W523-W712 HydrophobicContact CH2-CZ3 4.36Å; W523-W712 HydrophobicContact CZ3-CD2 4.48Å; W523-W712 HydrophobicContact CZ3-CE3 4.31Å; W523-W712 HydrophobicContact CZ3-CH2 4.14Å; W523-W712 HydrophobicContact CZ3-CZ2 4.31Å; W523-W712 HydrophobicContact CZ3-CZ3 4.14Å
524	P	80.1	Confident	63.3	Low	3 Å²	3	71.5 Å²	71.5	2%	0.019	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.4	-159.6	29.6	-37.7	0	0	0	114.4	N618 T619 N620	P524-N618 WeakPolarHBondContact CA-O 3.13Å; P524-N618 WeakPolarHBondContact CB-O 3.26Å; P524-T619 CarbonylContact O-C 3.5Å; P524-T619 VanDerWaalsContact O-CA 3.31Å; P524-T619 WeakPolarHBondContact O-CA 3.34Å; P524-N620 CarbonylContact C-O 3.4Å; P524-N620 HydrophobicContact CB-CB 4.06Å; P524-N620 HydrophobicContact CG-CB 4.14Å; P524-N620 PolarHBondContact O-N 2.9Å; P524-N620 VanDerWaalsContact O-O 3.13Å
525	W	87.1	Confident	64.3	Low	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-2.5	175.8	41.9	61.4	0	0	0	113.5	R501 W523 V527 T545 L546 N620 A622 M641 L704 W712	R501-W525 HydrophobicContact CB-CH2 3.8Å; R501-W525 HydrophobicContact CB-CZ3 4.44Å; R501-W525 HydrophobicContact CG-CH2 4.48Å; W523-W525 AromaticContact CE3-CZ2 3.95Å; W523-W525 HydrophobicContact CE3-CZ2 3.95Å; W523-W525 AromaticContact CE3-NE1 3.83Å; W523-W525 HydrophobicContact CZ3-CZ2 4.21Å; W523-W525 PolarHBondContact O-N 3.44Å; W525-V527 PolarHBondContact O-N 3Å; W525-T545 HydrophobicContact CB-CG2 3.97Å; W525-T545 HydrophobicContact CG-CG2 4.24Å; W525-T545 CarbonylContact O-C 3.51Å; W525-T545 VanDerWaalsContact O-CA 3.28Å; W525-T545 WeakPolarHBondContact O-CA 3.43Å; W525-L546 HydrophobicContact CB-CB 4.33Å; W525-L546 PolarHBondContact O-N 2.85Å; W525-N620 WeakPolarHBondContact CA-O 3.4Å; W525-N620 WeakPolarHBondContact CB-O 3.41Å; W525-N620 PolarHBondContact N-O 3.24Å; W525-A622 HydrophobicContact CB-CB 3.96Å; W525-A622 HydrophobicContact CD2-CB 3.97Å; W525-A622 HydrophobicContact CE3-CB 4.21Å; W525-A622 HydrophobicContact CG-CB 3.85Å; W525-M641 PolarHBondContact NE1-SD 2.72Å; W525-M641 VanDerWaalsContact NE1-SD 3.37Å; W525-L704 HydrophobicContact CD2-CD2 4.12Å; W525-L704 HydrophobicContact CG-CD2 4.14Å; W525-L704 HydrophobicContact CZ2-CD2 4.12Å; W525-L704 VanDerWaalsContact NE1-CD2 3.28Å; W525-W712 HydrophobicContact CH2-CB 3.43Å; W525-W712 VanDerWaalsContact CH2-CB 3.43Å; W525-W712 AromaticContact CH2-CD1 3.56Å; W525-W712 HydrophobicContact CH2-CD2 4.34Å; W525-W712 AromaticContact CH2-CG 3.45Å; W525-W712 HydrophobicContact CH2-CG 3.45Å; W525-W712 VanDerWaalsContact CH2-CG 3.45Å; W525-W712 HydrophobicContact CZ2-CB 3.62Å; W525-W712 HydrophobicContact CZ2-CD2 4.09Å; W525-W712 AromaticContact CZ2-CG 3.6Å; W525-W712 HydrophobicContact CZ2-CG 3.6Å; W525-W712 HydrophobicContact CZ3-CB 4.15Å
526	Q	88.3	Confident	65.7	Low	4 Å²	4	57 Å²	57	2%	0.019	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140.3	178.5	179.4	63.9	3.3	0	0	109.9	W523 G544 G574 M641 T643 V652	W523-Q526 HydrophobicContact CB-CB 4.26Å; W523-Q526 WeakPolarHBondContact O-CB 3.46Å; W523-Q526 PolarHBondContact O-N 3.04Å; Q526-G544 PolarHBondContact OE1-O 3.47Å; Q526-G574 PolarHBondContact O-N 3.24Å; Q526-M641 VanDerWaalsContact OE1-CB 3.3Å; Q526-T643 PolarHBondContact NE2-OG1 3.25Å; Q526-T643 VanDerWaalsContact NE2-OG1 3.09Å; Q526-V652 HydrophobicContact CB-CG1 4.33Å; Q526-V652 HydrophobicContact CG-CB 4.47Å; Q526-V652 HydrophobicContact CG-CG1 3.77Å; Q526-V652 HydrophobicContact CG-CG2 3.79Å
527	V	88.4	Confident	67	Low	1 Å²	1	58.4 Å²	58.4	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.8	175.5	176.8	0	0	0	0	109.3	W525 V529 S543 G544 L546 A552 V571 R572 V573	W525-V527 PolarHBondContact O-N 3Å; V527-V529 HydrophobicContact CG1-CG2 4.43Å; V527-S543 CarbonylContact O-C 3.59Å; V527-G544 PolarHBondContact N-O 3.38Å; V527-G544 PolarHBondContact O-N 3.02Å; V527-L546 HydrophobicContact CG2-CB 4.04Å; V527-A552 HydrophobicContact CB-CB 4.37Å; V527-A552 HydrophobicContact CG1-CB 4.06Å; V527-A552 HydrophobicContact CG2-CB 3.93Å; V527-V571 HydrophobicContact CG1-CG1 3.41Å; V527-V571 VanDerWaalsContact CG1-CG1 3.41Å; V527-R572 WeakPolarHBondContact CA-O 3.04Å; V527-V573 HydrophobicContact CG2-CG1 4.33Å; V527-V573 HydrophobicContact CG2-CG2 4.45Å
528	S	87.3	Confident	68.7	Low	11 Å²	11	54 Å²	54	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.3	171.4	61.5	0	0	0	0	110.9	W530 V571 R572 T643	S528-W530 VanDerWaalsContact CB-NE1 3.33Å; S528-W530 PolarHBondContact OG-NE1 2.7Å; S528-V571 CarbonylContact O-C 3.6Å; S528-V571 VanDerWaalsContact O-CA 3.28Å; S528-V571 WeakPolarHBondContact O-CA 3.39Å; S528-R572 PolarHBondContact N-O 3.28Å; S528-R572 PolarHBondContact O-N 2.9Å; S528-T643 VanDerWaalsContact CB-CG2 3.45Å; S528-T643 WeakPolarHBondContact CB-OG1 3.41Å
529	V	88.3	Confident	70.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	-174.9	-169.6	0	0	0	0	108.8	V527 L541 C542 L559 Y569 V571 L603	V527-V529 HydrophobicContact CG1-CG2 4.43Å; V529-L541 WeakPolarHBondContact O-CA 3.35Å; V529-L541 WeakPolarHBondContact O-CB 3.36Å; V529-L541 PolarHBondContact O-N 3.13Å; V529-C542 HydrophobicContact CB-CB 3.93Å; V529-C542 HydrophobicContact CG2-CB 4.14Å; V529-C542 PolarHBondContact N-O 3.12Å; V529-C542 PolarHBondContact O-N 3.41Å; V529-C542 VanDerWaalsContact O-N 3.08Å; V529-L559 HydrophobicContact CG1-CD2 4.14Å; V529-Y569 HydrophobicContact CG1-CD1 4.2Å; V529-V571 HydrophobicContact CG1-CG2 4.37Å; V529-L603 HydrophobicContact CG1-CD1 4.09Å; V529-L603 HydrophobicContact CG2-CD1 3.58Å
530	W	86.8	Confident	72.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.5	-168.6	-53.5	84.8	0	0	0	110.6	S528 G538 P540 Y569 V570 T643 S645 W646	S528-W530 VanDerWaalsContact CB-NE1 3.33Å; S528-W530 PolarHBondContact OG-NE1 2.7Å; W530-G538 WeakPolarHBondContact CZ3-O 3.42Å; W530-P540 HydrophobicContact CD2-CB 4.29Å; W530-P540 VanDerWaalsContact CE3-CA 3.5Å; W530-P540 HydrophobicContact CE3-CB 4.21Å; W530-P540 HydrophobicContact CH2-CB 3.67Å; W530-P540 HydrophobicContact CH2-CG 4.04Å; W530-P540 HydrophobicContact CZ2-CB 3.78Å; W530-P540 HydrophobicContact CZ2-CG 4.45Å; W530-P540 HydrophobicContact CZ3-CB 3.93Å; W530-P540 HydrophobicContact CZ3-CG 4.44Å; W530-Y569 VanDerWaalsContact O-CA 3.31Å; W530-Y569 WeakPolarHBondContact O-CA 3.35Å; W530-V570 HydrophobicContact CB-CB 4.46Å; W530-V570 PolarHBondContact N-O 3.2Å; W530-V570 PolarHBondContact O-N 2.92Å; W530-T643 HydrophobicContact CZ2-CG2 4.13Å; W530-S645 VanDerWaalsContact CH2-C 3.46Å; W530-W646 HydrophobicContact CB-CZ3 3.84Å; W530-W646 AromaticContact CD1-CZ3 3.77Å; W530-W646 AromaticContact CD2-CE3 3.41Å; W530-W646 HydrophobicContact CD2-CE3 3.41Å; W530-W646 VanDerWaalsContact CD2-CE3 3.41Å; W530-W646 AromaticContact CD2-CZ3 3.56Å; W530-W646 HydrophobicContact CD2-CZ3 3.56Å; W530-W646 AromaticContact CE2-CE3 3.64Å; W530-W646 AromaticContact CE2-CZ3 3.98Å; W530-W646 AromaticContact CE3-CE3 3.55Å; W530-W646 HydrophobicContact CE3-CE3 3.55Å; W530-W646 HydrophobicContact CE3-CZ3 4.02Å; W530-W646 AromaticContact CG-CE3 3.87Å; W530-W646 HydrophobicContact CG-CE3 3.87Å; W530-W646 AromaticContact CG-CZ3 3.45Å; W530-W646 HydrophobicContact CG-CZ3 3.45Å; W530-W646 VanDerWaalsContact CG-CZ3 3.45Å; W530-W646 HydrophobicContact CH2-CB 3.98Å; W530-W646 HydrophobicContact CH2-CE3 4.17Å; W530-W646 HydrophobicContact CZ2-CB 4.45Å; W530-W646 HydrophobicContact CZ2-CE3 4.03Å; W530-W646 HydrophobicContact CZ3-CB 4.24Å; W530-W646 AromaticContact CZ3-CE3 3.91Å; W530-W646 HydrophobicContact CZ3-CE3 3.91Å
531	L	85.4	Confident	74.7	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.4	168.1	-66.8	172.2	0	0	0	109.6	S533 H534 E535 L541 F562 R568 Y569	L531-S533 PolarHBondContact O-N 2.69Å; L531-S533 VanDerWaalsContact O-N 3.13Å; L531-H534 HydrophobicContact CB-CB 4.49Å; L531-H534 PolarHBondContact O-N 2.96Å; L531-E535 PolarHBondContact O-N 3.21Å; L531-L541 HydrophobicContact CD2-CD2 3.93Å; L531-L541 HydrophobicContact CG-CD2 4.1Å; L531-F562 HydrophobicContact CD1-CD1 3.92Å; L531-F562 HydrophobicContact CD1-CD2 4.48Å; L531-F562 HydrophobicContact CD1-CE1 3.6Å; L531-F562 HydrophobicContact CD1-CE2 4.2Å; L531-F562 HydrophobicContact CD1-CG 4.35Å; L531-F562 HydrophobicContact CD1-CZ 3.76Å; L531-F562 HydrophobicContact CD2-CB 4.09Å; L531-F562 HydrophobicContact CD2-CD1 3.91Å; L531-F562 HydrophobicContact CD2-CD2 4.24Å; L531-F562 HydrophobicContact CD2-CE1 4.44Å; L531-F562 HydrophobicContact CD2-CG 3.8Å; L531-R568 WeakPolarHBondContact CA-O 3.3Å; L531-Y569 HydrophobicContact CD2-CD1 4.33Å; L531-Y569 HydrophobicContact CD2-CE1 4.08Å
532	H	82	Confident	76.5	Confident	75 Å²	75	32.1 Å²	32.1	35%	0.347	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-60.8	-23.3	178.7	-168.2	19.7	0	0	0	112.8	H534 E535 R568 V570 K581	H532-H534 VanDerWaalsContact C-N 3.32Å; H532-E535 IonicContact CE1-OE2 2.89Å; H532-E535 PolarHBondContact CE1-OE2 3.48Å; H532-E535 VanDerWaalsContact CE1-OE2 3.23Å; H532-E535 IonicContact ND1-OE2 2.71Å; H532-E535 PolarHBondContact ND1-OE2 3.18Å; H532-R568 PolarHBondContact N-O 2.81Å; H532-V570 HydrophobicContact CB-CG2 3.82Å; H532-K581 PolarHBondContact CE1-NZ 3.24Å; H532-K581 PolarHBondContact NE2-NZ 2.78Å
533	S	73.5	Confident	77.7	Confident	94 Å²	94	31.1 Å²	31.1	66%	0.657	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-78.5	-7.9	174.1	61.2	0	0	0	0	115.1	L531	L531-S533 PolarHBondContact O-N 2.69Å; L531-S533 VanDerWaalsContact O-N 3.13Å
534	H	66	Low	78.3	Confident	93 Å²	93	30.5 Å²	30.5	43%	0.431	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-124.6	21.5	-179.7	-65.9	-78.7	0	0	0	112.3	L531 H532 G536 S537	L531-H534 HydrophobicContact CB-CB 4.49Å; L531-H534 PolarHBondContact O-N 2.96Å; H532-H534 VanDerWaalsContact C-N 3.32Å; H534-G536 PolarHBondContact O-N 2.98Å; H534-G536 VanDerWaalsContact O-N 3.14Å; H534-S537 PolarHBondContact O-N 2.81Å; H534-S537 PolarHBondContact O-OG 2.98Å
535	E	61.4	Low	78.9	Confident	85 Å²	85	30.4 Å²	30.4	40%	0.397	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	117.2	177.9	-167.8	156.1	170.7	0	0	110.2	L531 H532 S537 W646	L531-E535 PolarHBondContact O-N 3.21Å; H532-E535 IonicContact CE1-OE2 2.89Å; H532-E535 PolarHBondContact CE1-OE2 3.48Å; H532-E535 VanDerWaalsContact CE1-OE2 3.23Å; H532-E535 IonicContact ND1-OE2 2.71Å; H532-E535 PolarHBondContact ND1-OE2 3.18Å; E535-S537 VanDerWaalsContact C-N 3.29Å; E535-S537 PolarHBondContact O-N 3.4Å; E535-S537 PolarHBondContact O-OG 2.79Å; E535-W646 HydrophobicContact CG-CH2 3.64Å; E535-W646 HydrophobicContact CG-CZ2 3.69Å; E535-W646 HydrophobicContact CG-CZ3 4.43Å
536	G	58.4	Low	79	Confident	51 Å²	51	30.4 Å²	30.4	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	10.2	-176.8	0	0	0	0	0	117.4	H534	H534-G536 PolarHBondContact O-N 2.98Å; H534-G536 VanDerWaalsContact O-N 3.14Å
537	S	54.8	Low	79.1	Confident	90 Å²	90	30.8 Å²	30.8	63%	0.629	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.2	17.1	-169.1	49.7	0	0	0	0	116	H534 E535	H534-S537 PolarHBondContact O-N 2.81Å; H534-S537 PolarHBondContact O-OG 2.98Å; E535-S537 VanDerWaalsContact C-N 3.29Å; E535-S537 PolarHBondContact O-N 3.4Å; E535-S537 PolarHBondContact O-OG 2.79Å
538	G	62.8	Low	79	Confident	32 Å²	32	31.4 Å²	31.4	33%	0.33	20%	0.204	S	C	.	.	S	Bend	trans	-153.1	-179.4	171.5	0	0	0	0	0	111.5	W530	W530-G538 WeakPolarHBondContact CZ3-O 3.42Å
539	G	68.8	Low	78.8	Confident	32 Å²	32	31.9 Å²	31.9	33%	0.33	21%	0.206	S	C	.	.			trans	-76	166	170	0	0	0	0	0	113
540	P	77	Confident	78.7	Confident	12 Å²	12	33 Å²	33	8%	0.078	21%	0.214	C	C	.	.			trans	-63.9	137.4	177.4	22.5	-28.1	0	0	0	110.8	W530 T643 G697	W530-P540 HydrophobicContact CD2-CB 4.29Å; W530-P540 VanDerWaalsContact CE3-CA 3.5Å; W530-P540 HydrophobicContact CE3-CB 4.21Å; W530-P540 HydrophobicContact CH2-CB 3.67Å; W530-P540 HydrophobicContact CH2-CG 4.04Å; W530-P540 HydrophobicContact CZ2-CB 3.78Å; W530-P540 HydrophobicContact CZ2-CG 4.45Å; W530-P540 HydrophobicContact CZ3-CB 3.93Å; W530-P540 HydrophobicContact CZ3-CG 4.44Å; P540-T643 HydrophobicContact CB-CG2 4.44Å; P540-T643 HydrophobicContact CG-CG2 4.38Å; P540-T643 VanDerWaalsContact CG-O 3.24Å; P540-T643 WeakPolarHBondContact CG-O 3.13Å; P540-G697 VanDerWaalsContact O-CA 3.31Å; P540-G697 WeakPolarHBondContact O-CA 3.42Å
541	L	83.1	Confident	78.9	Confident	30 Å²	30	33 Å²	33	16%	0.157	21%	0.214	C	C	.	.	S	Bend	trans	-68.6	-53.7	174.8	175.8	66.6	0	0	0	109.5	V529 L531 C558 L559 F562 Y569	V529-L541 WeakPolarHBondContact O-CA 3.35Å; V529-L541 WeakPolarHBondContact O-CB 3.36Å; V529-L541 PolarHBondContact O-N 3.13Å; L531-L541 HydrophobicContact CD2-CD2 3.93Å; L531-L541 HydrophobicContact CG-CD2 4.1Å; L541-C558 PolarHBondContact O-SG 2.76Å; L541-L559 HydrophobicContact CD2-CD2 4.36Å; L541-F562 HydrophobicContact CD1-CD2 3.8Å; L541-F562 HydrophobicContact CD1-CE2 3.44Å; L541-F562 VanDerWaalsContact CD1-CE2 3.44Å; L541-F562 HydrophobicContact CD1-CZ 4.41Å; L541-F562 HydrophobicContact CD2-CD2 4.04Å; L541-F562 HydrophobicContact CD2-CE2 4.48Å; L541-Y569 HydrophobicContact CD2-CD1 4.07Å; L541-Y569 HydrophobicContact CD2-CE1 3.6Å
542	C	85.9	Confident	79.2	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.8	176.5	-37.3	0	0	0	0	111.2	V529 C558 G697 S699	V529-C542 HydrophobicContact CB-CB 3.93Å; V529-C542 HydrophobicContact CG2-CB 4.14Å; V529-C542 PolarHBondContact N-O 3.12Å; V529-C542 PolarHBondContact O-N 3.41Å; V529-C542 VanDerWaalsContact O-N 3.08Å; C542-C558 WeakPolarHBondContact CA-SG 3.41Å; C542-C558 HydrophobicContact CB-CB 4.02Å; C542-C558 WeakPolarHBondContact CB-SG 3.46Å; C542-C558 WeakPolarHBondContact SG-CB 3.4Å; C542-C558 CovalentContact SG-SG 2.02Å; C542-C558 PolarHBondContact SG-SG 3.42Å; C542-G697 CarbonylContact C-O 3.53Å; C542-S699 WeakPolarHBondContact CA-O 3.41Å
543	S	88.1	Confident	79.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	169.9	156	-63.7	0	0	0	0	110.1	V527 T554 T643 G697 S699 G700 G701	V527-S543 CarbonylContact O-C 3.59Å; S543-T554 PolarHBondContact O-OG1 2.85Å; S543-T643 PolarHBondContact OG-N 2.99Å; S543-T643 PolarHBondContact OG-OG1 2.92Å; S543-G697 PolarHBondContact N-O 3.14Å; S543-G697 PolarHBondContact OG-O 2.99Å; S543-S699 PolarHBondContact N-O 2.98Å; S543-G700 CarbonylContact C-O 3.57Å; S543-G700 CarbonylContact O-C 3.5Å; S543-G700 WeakPolarHBondContact O-CA 3.3Å; S543-G701 VanDerWaalsContact CB-CA 3.49Å
544	G	90.2	Very high	80.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-179.4	-176.4	0	0	0	0	0	112.9	Q526 V527 L553 G700	Q526-G544 PolarHBondContact OE1-O 3.47Å; V527-G544 PolarHBondContact N-O 3.38Å; V527-G544 PolarHBondContact O-N 3.02Å; G544-L553 CarbonylContact C-O 3.57Å; G544-L553 WeakPolarHBondContact CA-O 3.48Å; G544-G700 WeakPolarHBondContact CA-O 3.5Å
545	T	92.7	Very high	81.9	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.2	177.8	-54.4	0	0	0	0	111.7	W525 A552 L553 A622 G702 L704 V714	W525-T545 HydrophobicContact CB-CG2 3.97Å; W525-T545 HydrophobicContact CG-CG2 4.24Å; W525-T545 CarbonylContact O-C 3.51Å; W525-T545 VanDerWaalsContact O-CA 3.28Å; W525-T545 WeakPolarHBondContact O-CA 3.43Å; T545-A552 CarbonylContact O-C 3.49Å; T545-A552 WeakPolarHBondContact O-CA 3.46Å; T545-L553 PolarHBondContact N-O 3.44Å; T545-L553 PolarHBondContact O-N 2.8Å; T545-A622 HydrophobicContact CG2-CB 3.73Å; T545-G702 WeakPolarHBondContact OG1-CA 3.35Å; T545-L704 HydrophobicContact CG2-CD1 4.23Å; T545-L704 HydrophobicContact CG2-CD2 4.42Å; T545-V714 HydrophobicContact CG2-CG2 3.86Å
546	L	90.6	Very high	83.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.1	174.8	-164.8	73.2	0	0	0	109.7	W525 V527 S548 A552 V573 L605 F615 T619 A621 A622	W525-L546 HydrophobicContact CB-CB 4.33Å; W525-L546 PolarHBondContact O-N 2.85Å; V527-L546 HydrophobicContact CG2-CB 4.04Å; L546-S548 WeakPolarHBondContact CD1-O 3.47Å; L546-S548 WeakPolarHBondContact CG-O 3.31Å; L546-A552 HydrophobicContact CD1-CB 4.47Å; L546-V573 HydrophobicContact CD1-CG1 4.28Å; L546-V573 HydrophobicContact CD2-CG1 3.95Å; L546-L605 HydrophobicContact CD1-CD1 4.12Å; L546-F615 HydrophobicContact CD2-CE1 4.03Å; L546-T619 HydrophobicContact CD2-CG2 4.42Å; L546-A621 CarbonylContact O-C 3.12Å; L546-A621 WeakPolarHBondContact O-CA 3.47Å; L546-A622 PolarHBondContact O-N 2.82Å
547	V	90.6	Very high	84.5	Confident	11 Å²	11	14.1 Å²	14.1	7%	0.067	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-11.1	-174.8	-67.4	0	0	0	0	113.8	W551 L553 L624 V714	V547-W551 HydrophobicContact CG2-CB 4.3Å; V547-W551 WeakPolarHBondContact CG2-O 3.14Å; V547-W551 PolarHBondContact N-O 2.91Å; V547-L553 HydrophobicContact CG1-CB 3.96Å; V547-L553 HydrophobicContact CG1-CD2 4.42Å; V547-L553 HydrophobicContact CG2-CB 4.31Å; V547-L624 HydrophobicContact CB-CD1 4.25Å; V547-L624 HydrophobicContact CB-CD2 3.96Å; V547-L624 HydrophobicContact CB-CG 3.98Å; V547-L624 HydrophobicContact CG1-CD2 3.77Å; V547-L624 HydrophobicContact CG1-CG 4.24Å; V547-V714 HydrophobicContact CG1-CG2 4.2Å
548	S	86.2	Confident	85.8	Confident	15 Å²	15	10.5 Å²	10.5	11%	0.105	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	172.7	164	78.1	0	0	0	0	109	L546 C550 W551	L546-S548 WeakPolarHBondContact CD1-O 3.47Å; L546-S548 WeakPolarHBondContact CG-O 3.31Å; S548-C550 PolarHBondContact O-N 2.99Å; S548-C550 PolarHBondContact OG-N 3.36Å; S548-W551 PolarHBondContact N-O 2.52Å; S548-W551 PolarHBondContact O-N 2.91Å; S548-W551 PolarHBondContact OG-N 3.04Å
549	P	83	Confident	86.9	Confident	20 Å²	20	9 Å²	9	13%	0.13	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.7	176.9	-28.3	36.4	0	0	0	113.9	E496 C612 V613 F615	E496-P549 WeakPolarHBondContact OE2-CD 3.29Å; P549-C612 HydrophobicContact CB-CB 3.74Å; P549-C612 WeakPolarHBondContact O-CB 3.18Å; P549-V613 WeakPolarHBondContact CB-O 3.37Å; P549-V613 VanDerWaalsContact O-CB 3.27Å; P549-V613 WeakPolarHBondContact O-CB 3.49Å; P549-V613 WeakPolarHBondContact O-CG2 3.31Å; P549-V613 PolarHBondContact O-N 3.39Å; P549-F615 HydrophobicContact CB-CE1 4.28Å; P549-F615 HydrophobicContact CB-CZ 4.35Å; P549-F615 HydrophobicContact CG-CE1 3.95Å; P549-F615 HydrophobicContact CG-CE2 4Å; P549-F615 HydrophobicContact CG-CZ 3.56Å
550	C	85.5	Confident	87.5	Confident	24 Å²	24	10.7 Å²	10.7	16%	0.162	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.2	-171.8	-43.6	0	0	0	0	113.8	S548 R604 L605 C612	S548-C550 PolarHBondContact O-N 2.99Å; S548-C550 PolarHBondContact OG-N 3.36Å; C550-R604 CarbonylContact O-C 3.58Å; C550-R604 WeakPolarHBondContact O-CA 3.48Å; C550-L605 PolarHBondContact O-N 3.44Å; C550-C612 HydrophobicContact CB-CB 3.83Å; C550-C612 WeakPolarHBondContact CB-SG 3.47Å; C550-C612 WeakPolarHBondContact SG-CB 3.45Å; C550-C612 CovalentContact SG-SG 2.03Å; C550-C612 PolarHBondContact SG-SG 3.22Å
551	W	90.8	Very high	87.5	Confident	5 Å²	5	18.5 Å²	18.5	2%	0.019	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132	-163.7	-69.3	98.6	0	0	0	113.9	V547 S548 V586 M602 L603 R604 V746 I747 H750	V547-W551 HydrophobicContact CG2-CB 4.3Å; V547-W551 WeakPolarHBondContact CG2-O 3.14Å; V547-W551 PolarHBondContact N-O 2.91Å; S548-W551 PolarHBondContact N-O 2.52Å; S548-W551 PolarHBondContact O-N 2.91Å; S548-W551 PolarHBondContact OG-N 3.04Å; W551-V586 HydrophobicContact CH2-CG2 4.02Å; W551-V586 HydrophobicContact CZ3-CG2 4.02Å; W551-M602 HydrophobicContact CB-CE 3.89Å; W551-M602 HydrophobicContact CD2-CE 3.88Å; W551-M602 HydrophobicContact CE3-CB 3.84Å; W551-M602 HydrophobicContact CE3-CE 3.81Å; W551-M602 HydrophobicContact CG-CE 3.97Å; W551-M602 HydrophobicContact CZ3-CB 3.94Å; W551-L603 WeakPolarHBondContact CA-O 3.4Å; W551-R604 HydrophobicContact CD2-CB 4.1Å; W551-R604 HydrophobicContact CD2-CG 4.33Å; W551-R604 HydrophobicContact CE3-CB 3.79Å; W551-R604 HydrophobicContact CH2-CB 3.82Å; W551-R604 HydrophobicContact CH2-CG 4.41Å; W551-R604 HydrophobicContact CZ2-CB 4.1Å; W551-R604 HydrophobicContact CZ2-CG 4.19Å; W551-R604 HydrophobicContact CZ3-CB 3.66Å; W551-V746 HydrophobicContact CE3-CG1 4.27Å; W551-V746 HydrophobicContact CH2-CG1 3.4Å; W551-V746 HydrophobicContact CZ2-CG1 3.8Å; W551-V746 HydrophobicContact CZ3-CG1 3.66Å; W551-I747 HydrophobicContact CG-CG1 4.13Å; W551-H750 HydrophobicContact CZ2-CB 3.94Å
552	A	92.4	Very high	87.4	Confident	1 Å²	1	20 Å²	20	1%	0.008	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.5	167.3	0	0	0	0	0	111.5	V527 T545 L546 M602 L603 L605	V527-A552 HydrophobicContact CB-CB 4.37Å; V527-A552 HydrophobicContact CG1-CB 4.06Å; V527-A552 HydrophobicContact CG2-CB 3.93Å; T545-A552 CarbonylContact O-C 3.49Å; T545-A552 WeakPolarHBondContact O-CA 3.46Å; L546-A552 HydrophobicContact CD1-CB 4.47Å; A552-M602 CarbonylContact O-C 3.59Å; A552-M602 WeakPolarHBondContact O-CA 3.4Å; A552-L603 PolarHBondContact N-O 2.03Å; A552-L603 PolarHBondContact O-N 3.42Å; A552-L605 HydrophobicContact CB-CD1 4.03Å
553	L	94.4	Very high	87.2	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	177.4	-171.2	66.9	0	0	0	109.8	G544 T545 V547 L600 M602 V714 V717 V736 I743	G544-L553 CarbonylContact C-O 3.57Å; G544-L553 WeakPolarHBondContact CA-O 3.48Å; T545-L553 PolarHBondContact N-O 3.44Å; T545-L553 PolarHBondContact O-N 2.8Å; V547-L553 HydrophobicContact CG1-CB 3.96Å; V547-L553 HydrophobicContact CG1-CD2 4.42Å; V547-L553 HydrophobicContact CG2-CB 4.31Å; L553-L600 HydrophobicContact CD1-CD2 3.93Å; L553-L600 HydrophobicContact CD1-CG 4.09Å; L553-M602 HydrophobicContact CD1-CG 3.82Å; L553-V714 HydrophobicContact CD2-CG1 4.49Å; L553-V717 HydrophobicContact CD2-CG2 3.69Å; L553-V717 HydrophobicContact CG-CG2 3.98Å; L553-V736 HydrophobicContact CD2-CG1 4.16Å; L553-V736 HydrophobicContact CD2-CG2 4.03Å; L553-I743 HydrophobicContact CD1-CD1 4.25Å; L553-I743 HydrophobicContact CD2-CD1 4.33Å
554	T	92.7	Very high	87	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-174.2	179.1	-172.3	0	0	0	0	110.9	S543 L559 A601 L603	S543-T554 PolarHBondContact O-OG1 2.85Å; T554-L559 HydrophobicContact CG2-CD1 3.93Å; T554-A601 HydrophobicContact CG2-CB 4.28Å; T554-A601 PolarHBondContact N-O 3.1Å; T554-A601 PolarHBondContact O-N 3.01Å; T554-A601 VanDerWaalsContact O-O 3.12Å; T554-L603 HydrophobicContact CG2-CD1 4.16Å; T554-L603 HydrophobicContact CG2-CG 4.22Å
555	S	90.6	Very high	86.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.			trans	-83.2	144.2	179.3	164	0	0	0	0	111.9	S557 C558 D599 G700	S555-S557 PolarHBondContact OG-N 2.93Å; S555-S557 PolarHBondContact OG-OG 3.1Å; S555-C558 PolarHBondContact OG-N 3.46Å; S555-D599 PolarHBondContact OG-OD1 3.47Å; S555-D599 PolarHBondContact OG-OD2 3.34Å; S555-G700 VanDerWaalsContact CB-CA 3.48Å; S555-G700 VanDerWaalsContact CB-N 3.34Å; S555-G700 VanDerWaalsContact N-CA 3.33Å
556	A	90	Very high	86.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-77.2	-41.4	174.7	0	0	0	0	0	112.5	C558 L559 S560 V587 F591 D599 A601	A556-C558 VanDerWaalsContact C-N 3.26Å; A556-C558 PolarHBondContact O-N 2.95Å; A556-L559 PolarHBondContact O-N 3.09Å; A556-S560 VanDerWaalsContact O-CB 3.28Å; A556-S560 WeakPolarHBondContact O-CB 3.46Å; A556-S560 PolarHBondContact O-N 2.98Å; A556-V587 HydrophobicContact CB-CG1 3.76Å; A556-F591 HydrophobicContact CB-CB 4.21Å; A556-F591 HydrophobicContact CB-CD1 3.96Å; A556-F591 HydrophobicContact CB-CD2 3.72Å; A556-F591 HydrophobicContact CB-CE1 4.29Å; A556-F591 HydrophobicContact CB-CE2 4.06Å; A556-F591 HydrophobicContact CB-CG 3.67Å; A556-F591 HydrophobicContact CB-CZ 4.34Å; A556-D599 WeakPolarHBondContact CA-OD1 3.18Å; A556-D599 WeakPolarHBondContact CB-OD1 3.36Å; A556-D599 PolarHBondContact N-OD1 2.94Å; A556-A601 HydrophobicContact CB-CB 4.38Å
557	S	85.1	Confident	86.4	Confident	20 Å²	20	33.4 Å²	33.4	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-41.2	-178.7	62.9	0	0	0	0	111	S555 S560 F591 D599 G720	S555-S557 PolarHBondContact OG-N 2.93Å; S555-S557 PolarHBondContact OG-OG 3.1Å; S557-S560 WeakPolarHBondContact CA-OG 3.48Å; S557-S560 PolarHBondContact O-N 2.97Å; S557-S560 PolarHBondContact O-OG 2.94Å; S557-F591 VanDerWaalsContact CA-CZ 3.44Å; S557-D599 WeakPolarHBondContact CB-OD1 3.3Å; S557-D599 PolarHBondContact N-OD1 3.13Å; S557-D599 PolarHBondContact OG-OD1 2.98Å; S557-D599 PolarHBondContact OG-OD2 2.81Å; S557-G720 WeakPolarHBondContact OG-CA 3.02Å
558	C	81.8	Confident	86.3	Confident	13 Å²	13	38.8 Å²	38.8	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-55.4	-51	174.5	-171.7	0	0	0	0	113.6	L541 C542 S555 A556	L541-C558 PolarHBondContact O-SG 2.76Å; C542-C558 WeakPolarHBondContact CA-SG 3.41Å; C542-C558 HydrophobicContact CB-CB 4.02Å; C542-C558 WeakPolarHBondContact CB-SG 3.46Å; C542-C558 WeakPolarHBondContact SG-CB 3.4Å; C542-C558 CovalentContact SG-SG 2.02Å; C542-C558 PolarHBondContact SG-SG 3.42Å; S555-C558 PolarHBondContact OG-N 3.46Å; A556-C558 VanDerWaalsContact C-N 3.26Å; A556-C558 PolarHBondContact O-N 2.95Å
559	L	86.5	Confident	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-77.2	-28.1	-179.7	-57.6	177.5	0	0	0	112.9	V529 L541 T554 A556 R561 F562 G563 Y569 V585 A601 L603	V529-L559 HydrophobicContact CG1-CD2 4.14Å; L541-L559 HydrophobicContact CD2-CD2 4.36Å; T554-L559 HydrophobicContact CG2-CD1 3.93Å; A556-L559 PolarHBondContact O-N 3.09Å; L559-R561 PolarHBondContact O-N 3.45Å; L559-F562 PolarHBondContact O-N 2.92Å; L559-G563 PolarHBondContact O-N 3.44Å; L559-G563 VanDerWaalsContact O-N 3.13Å; L559-Y569 HydrophobicContact CD2-CD1 4.23Å; L559-Y569 HydrophobicContact CD2-CE1 3.75Å; L559-Y569 PolarHBondContact O-OH 2.94Å; L559-V585 HydrophobicContact CD1-CG1 3.78Å; L559-A601 HydrophobicContact CD1-CB 3.83Å; L559-L603 HydrophobicContact CD1-CD2 3.95Å
560	S	80.6	Confident	86.7	Confident	68 Å²	68	37.1 Å²	37.1	48%	0.476	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-25.6	-171.7	70.4	0	0	0	0	114.6	A556 S557 F562	A556-S560 VanDerWaalsContact O-CB 3.28Å; A556-S560 WeakPolarHBondContact O-CB 3.46Å; A556-S560 PolarHBondContact O-N 2.98Å; S557-S560 WeakPolarHBondContact CA-OG 3.48Å; S557-S560 PolarHBondContact O-N 2.97Å; S557-S560 PolarHBondContact O-OG 2.94Å; S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 3.33Å
561	R	76.1	Confident	86.8	Confident	176 Å²	176	36 Å²	36	66%	0.664	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.3	177.6	-171.8	175.7	-177.3	-172.5	-0.8	113.4	L559	L559-R561 PolarHBondContact O-N 3.45Å
562	F	82.1	Confident	86.5	Confident	63 Å²	63	37.1 Å²	37.1	28%	0.276	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-15.6	-172.4	-62	-80.7	0	0	0	114.1	L531 L541 L559 S560 R568 Y569	L531-F562 HydrophobicContact CD1-CD1 3.92Å; L531-F562 HydrophobicContact CD1-CD2 4.48Å; L531-F562 HydrophobicContact CD1-CE1 3.6Å; L531-F562 HydrophobicContact CD1-CE2 4.2Å; L531-F562 HydrophobicContact CD1-CG 4.35Å; L531-F562 HydrophobicContact CD1-CZ 3.76Å; L531-F562 HydrophobicContact CD2-CB 4.09Å; L531-F562 HydrophobicContact CD2-CD1 3.91Å; L531-F562 HydrophobicContact CD2-CD2 4.24Å; L531-F562 HydrophobicContact CD2-CE1 4.44Å; L531-F562 HydrophobicContact CD2-CG 3.8Å; L541-F562 HydrophobicContact CD1-CD2 3.8Å; L541-F562 HydrophobicContact CD1-CE2 3.44Å; L541-F562 VanDerWaalsContact CD1-CE2 3.44Å; L541-F562 HydrophobicContact CD1-CZ 4.41Å; L541-F562 HydrophobicContact CD2-CD2 4.04Å; L541-F562 HydrophobicContact CD2-CE2 4.48Å; L559-F562 PolarHBondContact O-N 2.92Å; S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 3.33Å; F562-R568 WeakPolarHBondContact O-CD 3.41Å; F562-R568 PolarHBondContact O-NH1 3.29Å; F562-Y569 HydrophobicContact CB-CE1 4.36Å; F562-Y569 WeakPolarHBondContact CB-OH 3.36Å
563	G	81.8	Confident	85.9	Confident	32 Å²	32	37.1 Å²	37.1	33%	0.33	20%	0.201	S	C	.	.			trans	110.7	-177.1	170.8	0	0	0	0	0	113.9	L559 Y569	L559-G563 PolarHBondContact O-N 3.44Å; L559-G563 VanDerWaalsContact O-N 3.13Å; G563-Y569 PolarHBondContact N-OH 3.24Å; G563-Y569 WeakPolarHBondContact O-CE2 3.36Å; G563-Y569 PolarHBondContact O-OH 3.19Å
564	S	82.6	Confident	84.6	Confident	81 Å²	81	37.7 Å²	37.7	57%	0.566	21%	0.207	S	C	*	.	S	Bend	trans	-101.4	18.5	177.5	65.5	0	0	0	0	113.6	P566	S564-P566 WeakPolarHBondContact O-CD 3.49Å
565	D	87.6	Confident	82.8	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	23%	0.229	S	C	.	.			trans	-81.5	110.4	178.2	168.7	6.6	0	0	0	109.5	S567 R568 Y569	D565-S567 PolarHBondContact O-N 2.76Å; D565-S567 WeakPolarHBondContact OD1-CB 3.36Å; D565-S567 PolarHBondContact OD1-N 2.89Å; D565-S567 VanDerWaalsContact OD1-N 3.1Å; D565-S567 PolarHBondContact OD1-OG 3.12Å; D565-S567 PolarHBondContact OD2-OG 3.1Å; D565-R568 HydrophobicContact CB-CG 4.17Å; D565-R568 PolarHBondContact O-N 3.04Å; D565-R568 WeakPolarHBondContact OD2-CG 3.33Å; D565-R568 IonicContact OD2-CZ 3.72Å; D565-R568 IonicContact OD2-NE 2.81Å; D565-R568 PolarHBondContact OD2-NE 2.91Å; D565-R568 IonicContact OD2-NH2 3.78Å; D565-Y569 VanDerWaalsContact O-CD2 3.3Å; D565-Y569 WeakPolarHBondContact O-CD2 3Å; D565-Y569 WeakPolarHBondContact O-CE2 3.3Å
566	P	87.4	Confident	81.1	Confident	33 Å²	33	41.7 Å²	41.7	21%	0.214	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.1	-25.1	-173.5	-18.3	31.3	0	0	0	113.5	S564 R568 Y569 P582 V585	S564-P566 WeakPolarHBondContact O-CD 3.49Å; P566-R568 PolarHBondContact O-N 3.19Å; P566-R568 VanDerWaalsContact O-N 3.16Å; P566-Y569 PolarHBondContact O-N 2.03Å; P566-Y569 VanDerWaalsContact O-N 3.15Å; P566-P582 HydrophobicContact CB-CG 4.25Å; P566-P582 WeakPolarHBondContact CB-O 3.3Å; P566-V585 HydrophobicContact CB-CG2 4.28Å; P566-V585 HydrophobicContact CG-CG2 4.23Å
567	S	87.1	Confident	79.6	Confident	79 Å²	79	48.4 Å²	48.4	55%	0.552	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.5	-176.2	72.3	0	0	0	0	114	D565 Y569	D565-S567 PolarHBondContact O-N 2.76Å; D565-S567 WeakPolarHBondContact OD1-CB 3.36Å; D565-S567 PolarHBondContact OD1-N 2.89Å; D565-S567 VanDerWaalsContact OD1-N 3.1Å; D565-S567 PolarHBondContact OD1-OG 3.12Å; D565-S567 PolarHBondContact OD2-OG 3.1Å; S567-Y569 VanDerWaalsContact C-N 3.33Å
568	R	87.8	Confident	78.9	Confident	123 Å²	123	50.9 Å²	50.9	46%	0.464	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-79	-16.4	178.3	-61.2	177.5	-177.8	-134.5	-19.3	113.3	L531 H532 F562 D565 P566	L531-R568 WeakPolarHBondContact CA-O 3.3Å; H532-R568 PolarHBondContact N-O 2.81Å; F562-R568 WeakPolarHBondContact O-CD 3.41Å; F562-R568 PolarHBondContact O-NH1 3.29Å; D565-R568 HydrophobicContact CB-CG 4.17Å; D565-R568 PolarHBondContact O-N 3.04Å; D565-R568 WeakPolarHBondContact OD2-CG 3.33Å; D565-R568 IonicContact OD2-CZ 3.72Å; D565-R568 IonicContact OD2-NE 2.81Å; D565-R568 PolarHBondContact OD2-NE 2.91Å; D565-R568 IonicContact OD2-NH2 3.78Å; P566-R568 PolarHBondContact O-N 3.19Å; P566-R568 VanDerWaalsContact O-N 3.16Å
569	Y	89.6	Confident	78.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.4	-167.6	-59.3	-68.6	0	0	0	112.4	V529 W530 L531 L541 L559 F562 G563 D565 P566 S567 P582 V585	V529-Y569 HydrophobicContact CG1-CD1 4.2Å; W530-Y569 VanDerWaalsContact O-CA 3.31Å; W530-Y569 WeakPolarHBondContact O-CA 3.35Å; L531-Y569 HydrophobicContact CD2-CD1 4.33Å; L531-Y569 HydrophobicContact CD2-CE1 4.08Å; L541-Y569 HydrophobicContact CD2-CD1 4.07Å; L541-Y569 HydrophobicContact CD2-CE1 3.6Å; L559-Y569 HydrophobicContact CD2-CD1 4.23Å; L559-Y569 HydrophobicContact CD2-CE1 3.75Å; L559-Y569 PolarHBondContact O-OH 2.94Å; F562-Y569 HydrophobicContact CB-CE1 4.36Å; F562-Y569 WeakPolarHBondContact CB-OH 3.36Å; G563-Y569 PolarHBondContact N-OH 3.24Å; G563-Y569 WeakPolarHBondContact O-CE2 3.36Å; G563-Y569 PolarHBondContact O-OH 3.19Å; D565-Y569 VanDerWaalsContact O-CD2 3.3Å; D565-Y569 WeakPolarHBondContact O-CD2 3Å; D565-Y569 WeakPolarHBondContact O-CE2 3.3Å; P566-Y569 PolarHBondContact O-N 2.03Å; P566-Y569 VanDerWaalsContact O-N 3.15Å; S567-Y569 VanDerWaalsContact C-N 3.33Å; Y569-P582 WeakPolarHBondContact O-CD 3.33Å; Y569-V585 HydrophobicContact CD2-CG2 3.97Å; Y569-V585 HydrophobicContact CE2-CG2 4.08Å
570	V	88.6	Confident	78.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	169.8	179.4	0	0	0	0	107.7	W530 H532 T579 W646	W530-V570 HydrophobicContact CB-CB 4.46Å; W530-V570 PolarHBondContact N-O 3.2Å; W530-V570 PolarHBondContact O-N 2.92Å; H532-V570 HydrophobicContact CB-CG2 3.82Å; V570-T579 HydrophobicContact CG1-CG2 3.25Å; V570-W646 HydrophobicContact CG1-CH2 4.02Å
571	V	88.2	Confident	79	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.5	-172.1	-178.2	0	0	0	0	110	V527 S528 V529 V573 L580 P582 L603 L605	V527-V571 HydrophobicContact CG1-CG1 3.41Å; V527-V571 VanDerWaalsContact CG1-CG1 3.41Å; S528-V571 CarbonylContact O-C 3.6Å; S528-V571 VanDerWaalsContact O-CA 3.28Å; S528-V571 WeakPolarHBondContact O-CA 3.39Å; V529-V571 HydrophobicContact CG1-CG2 4.37Å; V571-V573 HydrophobicContact CG1-CG2 4.3Å; V571-L580 PolarHBondContact N-O 3.02Å; V571-L580 PolarHBondContact O-N 2.8Å; V571-P582 HydrophobicContact CG2-CG 4.29Å; V571-L603 HydrophobicContact CG2-CD1 4.08Å; V571-L605 HydrophobicContact CB-CD2 4.01Å; V571-L605 HydrophobicContact CG1-CD1 4.05Å; V571-L605 HydrophobicContact CG1-CD2 3.85Å; V571-L605 HydrophobicContact CG2-CD2 4.03Å
572	R	83.6	Confident	79.7	Confident	29 Å²	29	47.8 Å²	47.8	11%	0.109	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.1	171	-62.9	173.4	63.8	136.7	-4.4	110.2	V527 S528 E577 Q578 T579 W646	V527-R572 WeakPolarHBondContact CA-O 3.04Å; S528-R572 PolarHBondContact N-O 3.28Å; S528-R572 PolarHBondContact O-N 2.9Å; R572-E577 IonicContact NH2-OE1 3.76Å; R572-Q578 WeakPolarHBondContact CA-O 3.47Å; R572-T579 HydrophobicContact CG-CG2 4.34Å; R572-W646 VanDerWaalsContact CZ-O 3.24Å; R572-W646 PolarHBondContact NH1-O 3.48Å; R572-W646 VanDerWaalsContact NH1-O 3.13Å
573	V	80.1	Confident	80	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.3	-168.7	-172.5	0	0	0	0	112.3	V527 L546 V571 S576 L580 L605 T619	V527-V573 HydrophobicContact CG2-CG1 4.33Å; V527-V573 HydrophobicContact CG2-CG2 4.45Å; L546-V573 HydrophobicContact CD1-CG1 4.28Å; L546-V573 HydrophobicContact CD2-CG1 3.95Å; V571-V573 HydrophobicContact CG1-CG2 4.3Å; V573-S576 PolarHBondContact O-OG 3.02Å; V573-L580 HydrophobicContact CG2-CD1 4.06Å; V573-L605 HydrophobicContact CG2-CD1 3.73Å; V573-T619 HydrophobicContact CG1-CG2 4.01Å
574	G	67.8	Low	80.3	Confident	13 Å²	13	51.6 Å²	51.6	13%	0.134	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	-158.8	-178.6	0	0	0	0	0	112.6	Q526 S576	Q526-G574 PolarHBondContact O-N 3.24Å; G574-S576 PolarHBondContact O-N 3.41Å
575	A	54.1	Low	80.8	Confident	57 Å²	57	48.4 Å²	48.4	47%	0.471	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.4	165.7	0	0	0	0	0	112.3	T522 N618	T522-A575 HydrophobicContact CG2-CB 4.08Å; A575-N618 PolarHBondContact N-O 2.79Å
576	S	54.6	Low	81	Confident	30 Å²	30	47 Å²	47	21%	0.21	25%	0.248	C	C	.	.	S	Bend	trans	-79.6	148.2	177.3	87.1	0	0	0	0	110.8	V573 G574 Q578	V573-S576 PolarHBondContact O-OG 3.02Å; G574-S576 PolarHBondContact O-N 3.41Å; S576-Q578 PolarHBondContact O-N 3.24Å; S576-Q578 WeakPolarHBondContact OG-CB 3.03Å; S576-Q578 PolarHBondContact OG-N 3.34Å
577	E	59.1	Low	81.2	Confident	141 Å²	141	47.7 Å²	47.7	66%	0.659	25%	0.251	S	S	*	.			trans	-78.7	9.6	174	-55.5	-152.6	109	0	0	113.4	R572 T579	R572-E577 IonicContact NH2-OE1 3.76Å; E577-T579 PolarHBondContact O-N 2.8Å; E577-T579 PolarHBondContact O-OG1 2.03Å
578	Q	70.6	Confident	81.3	Confident	71 Å²	71	44.9 Å²	44.9	33%	0.332	23%	0.229	S	C	.	.			trans	-64.3	120	-178.4	-171.2	176.2	81.2	0	0	110.6	R572 S576 L580	R572-Q578 WeakPolarHBondContact CA-O 3.47Å; S576-Q578 PolarHBondContact O-N 3.24Å; S576-Q578 WeakPolarHBondContact OG-CB 3.03Å; S576-Q578 PolarHBondContact OG-N 3.34Å; Q578-L580 HydrophobicContact CG-CD2 3.79Å; Q578-L580 HydrophobicContact CG-CG 4.19Å
579	T	79.1	Confident	81.4	Confident	60 Å²	60	49 Å²	49	37%	0.368	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122	-177.4	-59.7	0	0	0	0	109	V570 R572 E577 W646	V570-T579 HydrophobicContact CG1-CG2 3.25Å; R572-T579 HydrophobicContact CG-CG2 4.34Å; E577-T579 PolarHBondContact O-N 2.8Å; E577-T579 PolarHBondContact O-OG1 2.03Å; T579-W646 HydrophobicContact CG2-CH2 4.45Å
580	L	84.4	Confident	81.2	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.089	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.9	-171.5	-56.4	179.8	0	0	0	110.7	V571 V573 Q578 L605 V613	V571-L580 PolarHBondContact N-O 3.02Å; V571-L580 PolarHBondContact O-N 2.8Å; V573-L580 HydrophobicContact CG2-CD1 4.06Å; Q578-L580 HydrophobicContact CG-CD2 3.79Å; Q578-L580 HydrophobicContact CG-CG 4.19Å; L580-L605 HydrophobicContact CD1-CB 4.14Å; L580-L605 HydrophobicContact CD1-CD1 4.5Å; L580-V613 HydrophobicContact CD1-CG2 3.77Å
581	K	87.3	Confident	81.1	Confident	107 Å²	107	57.6 Å²	57.6	47%	0.465	28%	0.282	S	S	.	.			trans	-111	126.1	168.8	-61.6	-167.7	-177.5	-173.1	0	108.7	H532 P606	H532-K581 PolarHBondContact CE1-NZ 3.24Å; H532-K581 PolarHBondContact NE2-NZ 2.78Å; K581-P606 WeakPolarHBondContact O-CD 3.44Å; K581-P606 WeakPolarHBondContact O-CG 3.36Å
582	P	89.4	Confident	80.5	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.052	32%	0.322	C	S	.	.			trans	-69.7	145.3	-175.3	28.3	-32.2	0	0	0	111.2	P566 Y569 V571 R604 L605	P566-P582 HydrophobicContact CB-CG 4.25Å; P566-P582 WeakPolarHBondContact CB-O 3.3Å; Y569-P582 WeakPolarHBondContact O-CD 3.33Å; V571-P582 HydrophobicContact CG2-CG 4.29Å; P582-R604 CarbonylContact C-O 3.56Å; P582-R604 VanDerWaalsContact CA-O 3.24Å; P582-R604 WeakPolarHBondContact CA-O 3.06Å; P582-R604 WeakPolarHBondContact CB-O 3Å; P582-L605 HydrophobicContact CB-CD2 4.16Å
583	E	88.9	Confident	79.9	Confident	101 Å²	101	66.8 Å²	66.8	47%	0.472	33%	0.332	S	S	.	.	S	Bend	trans	-82.7	-25.7	172.9	-63.9	-160.8	168.3	0	0	112.3	R604 P606	E583-R604 PolarHBondContact N-O 3.41Å; E583-R604 IonicContact OE2-CZ 3.23Å; E583-R604 IonicContact OE2-NH1 3.7Å; E583-R604 PolarHBondContact OE2-NH1 3.5Å; E583-R604 IonicContact OE2-NH2 2.74Å; E583-R604 PolarHBondContact OE2-NH2 3Å; E583-P606 HydrophobicContact CG-CB 3.86Å; E583-P606 HydrophobicContact CG-CG 3.7Å
584	Q	89.1	Confident	79	Confident	74 Å²	74	72 Å²	72	35%	0.346	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	138.9	-173.5	-162.8	176.6	7.2	0	0	111.7	V586 L603 R604 H750	Q584-V586 HydrophobicContact CG-CG2 3.82Å; Q584-L603 WeakPolarHBondContact O-CA 3.44Å; Q584-R604 HydrophobicContact CB-CB 4.03Å; Q584-R604 PolarHBondContact O-N 2.63Å; Q584-H750 PolarHBondContact OE1-ND1 2.85Å; Q584-H750 VanDerWaalsContact OE1-ND1 3.17Å
585	V	92.1	Very high	78.4	Confident	14 Å²	14	76 Å²	76	9%	0.085	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122	169.8	-177.2	0	0	0	0	108.3	L559 P566 Y569 V587 L603	L559-V585 HydrophobicContact CD1-CG1 3.78Å; P566-V585 HydrophobicContact CB-CG2 4.28Å; P566-V585 HydrophobicContact CG-CG2 4.23Å; Y569-V585 HydrophobicContact CD2-CG2 3.97Å; Y569-V585 HydrophobicContact CE2-CG2 4.08Å; V585-V587 HydrophobicContact CG1-CG2 4.36Å; V585-L603 HydrophobicContact CB-CD2 4.23Å; V585-L603 HydrophobicContact CG1-CD2 4.04Å; V585-L603 HydrophobicContact CG2-CD2 3.77Å
586	V	91.9	Very high	78.6	Confident	29 Å²	29	75.3 Å²	75.3	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	98.4	-178.2	-170.6	0	0	0	0	109.9	W551 Q584 A601 M602 W742 V746	W551-V586 HydrophobicContact CH2-CG2 4.02Å; W551-V586 HydrophobicContact CZ3-CG2 4.02Å; Q584-V586 HydrophobicContact CG-CG2 3.82Å; V586-A601 CarbonylContact O-C 3.55Å; V586-A601 VanDerWaalsContact O-CA 3.28Å; V586-A601 WeakPolarHBondContact O-CA 3.44Å; V586-M602 PolarHBondContact N-O 2.97Å; V586-M602 PolarHBondContact O-N 3.04Å; V586-W742 HydrophobicContact CG1-CZ2 4.13Å; V586-V746 HydrophobicContact CB-CG1 4.35Å; V586-V746 HydrophobicContact CG1-CG1 4.28Å; V586-V746 HydrophobicContact CG1-CG2 3.93Å; V586-V746 HydrophobicContact CG2-CG1 4.26Å
587	V	91.1	Very high	79.4	Confident	48 Å²	48	74.3 Å²	74.3	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.1	175.7	176.4	0	0	0	0	110.3	A556 V585 R589 F591 A601	A556-V587 HydrophobicContact CB-CG1 3.76Å; V585-V587 HydrophobicContact CG1-CG2 4.36Å; V587-R589 PolarHBondContact O-N 3.17Å; V587-F591 HydrophobicContact CG1-CB 4.3Å; V587-F591 HydrophobicContact CG1-CD1 4.47Å; V587-A601 HydrophobicContact CG2-CB 4.14Å
588	H	90.8	Very high	80.7	Confident	19 Å²	19	70.4 Å²	70.4	9%	0.088	36%	0.357	C	S	.	.			trans	-62.5	121.3	179.5	-177	-79.4	0	0	0	112	K590 F591 H598 L600 F739 W742	H588-K590 PolarHBondContact ND1-N 3.24Å; H588-K590 PolarHBondContact O-N 3.06Å; H588-F591 VanDerWaalsContact O-CB 3.28Å; H588-F591 WeakPolarHBondContact O-CB 3.4Å; H588-F591 PolarHBondContact O-N 3.46Å; H588-H598 AromaticContact CE1-CD2 3.52Å; H588-H598 AromaticContact ND1-CD2 3.81Å; H588-L600 HydrophobicContact CB-CB 4.44Å; H588-L600 VanDerWaalsContact CB-O 3.23Å; H588-L600 WeakPolarHBondContact CB-O 3.49Å; H588-L600 PolarHBondContact N-O 3.31Å; H588-F739 AromaticContact CD2-CD1 3.8Å; H588-F739 AromaticContact CD2-CE1 3.97Å; H588-F739 AromaticContact NE2-CD1 3.79Å; H588-F739 AromaticContact NE2-CE1 3.7Å; H588-W742 HydrophobicContact CB-CH2 4.06Å; H588-W742 HydrophobicContact CB-CZ2 3.91Å; H588-W742 AromaticContact CD2-CD1 3.99Å; H588-W742 AromaticContact CD2-CD2 3.51Å; H588-W742 AromaticContact CD2-CE2 3.66Å; H588-W742 AromaticContact CD2-CE3 3.95Å; H588-W742 AromaticContact CD2-CG 3.7Å; H588-W742 AromaticContact CD2-NE1 3.95Å
589	R	88.3	Confident	81.6	Confident	210 Å²	210	67.3 Å²	67.3	79%	0.792	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.1	-169	-58.1	-175	-166.8	149.6	13.7	116.5	V587 E745	V587-R589 PolarHBondContact O-N 3.17Å; R589-E745 IonicContact NH2-OE1 3.75Å
590	K	86.3	Confident	82.1	Confident	144 Å²	144	64.5 Å²	64.5	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	1.3	176.4	-57.8	-177.5	179.1	176.3	0	114.3	H588 K592	H588-K590 PolarHBondContact ND1-N 3.24Å; H588-K590 PolarHBondContact O-N 3.06Å; K590-K592 PolarHBondContact O-N 3.45Å
591	F	85.9	Confident	82.5	Confident	37 Å²	37	63.7 Å²	63.7	16%	0.162	32%	0.321	C	S	.	.			trans	-61.9	129.4	172.2	179.9	-103.6	0	0	0	109.9	A556 S557 V587 H588 G593 D599	A556-F591 HydrophobicContact CB-CB 4.21Å; A556-F591 HydrophobicContact CB-CD1 3.96Å; A556-F591 HydrophobicContact CB-CD2 3.72Å; A556-F591 HydrophobicContact CB-CE1 4.29Å; A556-F591 HydrophobicContact CB-CE2 4.06Å; A556-F591 HydrophobicContact CB-CG 3.67Å; A556-F591 HydrophobicContact CB-CZ 4.34Å; S557-F591 VanDerWaalsContact CA-CZ 3.44Å; V587-F591 HydrophobicContact CG1-CB 4.3Å; V587-F591 HydrophobicContact CG1-CD1 4.47Å; H588-F591 VanDerWaalsContact O-CB 3.28Å; H588-F591 WeakPolarHBondContact O-CB 3.4Å; H588-F591 PolarHBondContact O-N 3.46Å; F591-G593 WeakPolarHBondContact CE2-O 3.03Å; F591-G593 VanDerWaalsContact CZ-CA 3.5Å; F591-D599 HydrophobicContact CD2-CB 4.41Å; F591-D599 HydrophobicContact CE2-CB 4.23Å; F591-D599 WeakPolarHBondContact CE2-OD1 3.49Å
592	K	75.6	Confident	82.9	Confident	191 Å²	191	58.6 Å²	58.6	83%	0.83	30%	0.299	S	S	*	.			trans	-135.9	25.6	-178.4	-69.7	-170.1	174.8	-171.1	0	112.2	K590	K590-K592 PolarHBondContact O-N 3.45Å
593	G	72.1	Confident	83	Confident	31 Å²	31	58.2 Å²	58.2	32%	0.32	30%	0.296	S	S	.	.	S	Bend	trans	101.4	-168.8	-166.2	0	0	0	0	0	112.3	F591 S595	F591-G593 WeakPolarHBondContact CE2-O 3.03Å; F591-G593 VanDerWaalsContact CZ-CA 3.5Å; G593-S595 VanDerWaalsContact C-N 3.29Å; G593-S595 PolarHBondContact O-N 3.09Å
594	Q	60.3	Low	83.1	Confident	109 Å²	109	54.7 Å²	54.7	51%	0.509	28%	0.278	S	S	.	.	S	Bend	trans	-69.9	-19.8	-166.7	-61	174.7	-22.7	0	0	114.3	G720 Y722	Q594-G720 VanDerWaalsContact CG-O 3.29Å; Q594-G720 WeakPolarHBondContact CG-O 3.46Å; Q594-G720 PolarHBondContact NE2-O 2.82Å; Q594-Y722 HydrophobicContact CB-CE2 4.5Å
595	S	55.6	Low	83	Confident	98 Å²	98	51.2 Å²	51.2	69%	0.685	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	122.9	-179.9	51.5	0	0	0	0	112.4	G593	G593-S595 VanDerWaalsContact C-N 3.29Å; G593-S595 PolarHBondContact O-N 3.09Å
596	G	58.2	Low	82.1	Confident	42 Å²	42	51.9 Å²	51.9	43%	0.433	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	11.4	164.7	0	0	0	0	0	117.3	H598	G596-H598 PolarHBondContact O-N 3.46Å; G596-H598 PolarHBondContact O-ND1 3.12Å
597	G	70.5	Confident	80.4	Confident	9 Å²	9	51.9 Å²	51.9	9%	0.093	27%	0.268	C	S	.	.	S	Bend	trans	62.1	41.1	165.2	0	0	0	0	0	115.2	T734 F739	G597-T734 WeakPolarHBondContact O-CG2 2.97Å; G597-F739 VanDerWaalsContact O-CE2 3.3Å; G597-F739 WeakPolarHBondContact O-CE2 3.44Å; G597-F739 WeakPolarHBondContact O-CZ 3.5Å
598	H	87.1	Confident	78.5	Confident	60 Å²	60	54.6 Å²	54.6	28%	0.278	30%	0.296	S	S	.	.			trans	-119.1	29.2	171.4	-68.7	75.3	0	0	0	110.6	H588 G596 L600 F739	H588-H598 AromaticContact CE1-CD2 3.52Å; H588-H598 AromaticContact ND1-CD2 3.81Å; G596-H598 PolarHBondContact O-N 3.46Å; G596-H598 PolarHBondContact O-ND1 3.12Å; H598-L600 VanDerWaalsContact C-N 3.27Å; H598-L600 PolarHBondContact O-N 2.8Å; H598-F739 HydrophobicContact CB-CZ 4.27Å; H598-F739 AromaticContact CD2-CE1 3.59Å; H598-F739 AromaticContact CD2-CZ 3.68Å; H598-F739 AromaticContact CG-CZ 3.89Å
599	D	89.1	Confident	76.7	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.032	33%	0.331	C	S	.	.			trans	-83.8	61.8	-172.5	-169.4	26.8	0	0	0	112.3	S555 A556 S557 F591 A719 G720	S555-D599 PolarHBondContact OG-OD1 3.47Å; S555-D599 PolarHBondContact OG-OD2 3.34Å; A556-D599 WeakPolarHBondContact CA-OD1 3.18Å; A556-D599 WeakPolarHBondContact CB-OD1 3.36Å; A556-D599 PolarHBondContact N-OD1 2.94Å; S557-D599 WeakPolarHBondContact CB-OD1 3.3Å; S557-D599 PolarHBondContact N-OD1 3.13Å; S557-D599 PolarHBondContact OG-OD1 2.98Å; S557-D599 PolarHBondContact OG-OD2 2.81Å; F591-D599 HydrophobicContact CD2-CB 4.41Å; F591-D599 HydrophobicContact CE2-CB 4.23Å; F591-D599 WeakPolarHBondContact CE2-OD1 3.49Å; D599-A719 HydrophobicContact CB-CB 4.45Å; D599-A719 WeakPolarHBondContact OD2-CA 3.32Å; D599-G720 PolarHBondContact OD2-N 3.31Å
600	L	91.1	Very high	75.1	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.327	C	S	.	.			trans	-124.2	137	178.8	-101.8	74.1	0	0	0	111.8	L553 H588 H598 V717 T734 F739 W742 I743	L553-L600 HydrophobicContact CD1-CD2 3.93Å; L553-L600 HydrophobicContact CD1-CG 4.09Å; H588-L600 HydrophobicContact CB-CB 4.44Å; H588-L600 VanDerWaalsContact CB-O 3.23Å; H588-L600 WeakPolarHBondContact CB-O 3.49Å; H588-L600 PolarHBondContact N-O 3.31Å; H598-L600 VanDerWaalsContact C-N 3.27Å; H598-L600 PolarHBondContact O-N 2.8Å; L600-V717 HydrophobicContact CD1-CB 4.46Å; L600-V717 HydrophobicContact CD1-CG2 4.49Å; L600-T734 HydrophobicContact CD1-CG2 3.3Å; L600-F739 HydrophobicContact CD1-CD2 4.26Å; L600-F739 HydrophobicContact CD2-CB 3.63Å; L600-F739 HydrophobicContact CD2-CD2 4.16Å; L600-F739 HydrophobicContact CD2-CG 3.9Å; L600-W742 HydrophobicContact CB-CH2 4.4Å; L600-W742 HydrophobicContact CB-CZ3 3.92Å; L600-W742 HydrophobicContact CD2-CE3 4.32Å; L600-W742 HydrophobicContact CD2-CZ3 4Å; L600-I743 HydrophobicContact CD2-CD1 4.14Å; L600-I743 HydrophobicContact CD2-CG1 4.47Å
601	A	93.1	Very high	73.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.9	165.6	0	0	0	0	0	110.9	T554 A556 L559 V586 V587	T554-A601 HydrophobicContact CG2-CB 4.28Å; T554-A601 PolarHBondContact N-O 3.1Å; T554-A601 PolarHBondContact O-N 3.01Å; T554-A601 VanDerWaalsContact O-O 3.12Å; A556-A601 HydrophobicContact CB-CB 4.38Å; L559-A601 HydrophobicContact CD1-CB 3.83Å; V586-A601 CarbonylContact O-C 3.55Å; V586-A601 VanDerWaalsContact O-CA 3.28Å; V586-A601 WeakPolarHBondContact O-CA 3.44Å; V587-A601 HydrophobicContact CG2-CB 4.14Å
602	M	93.9	Very high	73.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143	176.4	-67.5	-178.8	66.2	0	0	111.4	W551 A552 L553 V586 W742 I743 V746 I747	W551-M602 HydrophobicContact CB-CE 3.89Å; W551-M602 HydrophobicContact CD2-CE 3.88Å; W551-M602 HydrophobicContact CE3-CB 3.84Å; W551-M602 HydrophobicContact CE3-CE 3.81Å; W551-M602 HydrophobicContact CG-CE 3.97Å; W551-M602 HydrophobicContact CZ3-CB 3.94Å; A552-M602 CarbonylContact O-C 3.59Å; A552-M602 WeakPolarHBondContact O-CA 3.4Å; L553-M602 HydrophobicContact CD1-CG 3.82Å; V586-M602 PolarHBondContact N-O 2.97Å; V586-M602 PolarHBondContact O-N 3.04Å; M602-W742 HydrophobicContact CG-CH2 3.96Å; M602-W742 HydrophobicContact CG-CZ3 4.02Å; M602-W742 HydrophobicContact SD-CH2 4.25Å; M602-W742 HydrophobicContact SD-CZ3 4.03Å; M602-I743 HydrophobicContact CE-CG2 3.92Å; M602-I743 HydrophobicContact SD-CB 4.21Å; M602-I743 HydrophobicContact SD-CG1 4.18Å; M602-I743 HydrophobicContact SD-CG2 3.9Å; M602-V746 HydrophobicContact CB-CG1 4.42Å; M602-V746 HydrophobicContact CE-CB 4.49Å; M602-V746 HydrophobicContact CE-CG1 4.07Å; M602-V746 HydrophobicContact SD-CB 3.94Å; M602-V746 HydrophobicContact SD-CG1 3.8Å; M602-V746 HydrophobicContact SD-CG2 4.46Å; M602-I747 HydrophobicContact CE-CD1 4.25Å; M602-I747 HydrophobicContact CE-CG1 3.89Å
603	L	92.4	Very high	73.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.8	178.6	-60.4	176.3	0	0	0	109.1	V529 W551 A552 T554 L559 V571 Q584 V585 L605	V529-L603 HydrophobicContact CG1-CD1 4.09Å; V529-L603 HydrophobicContact CG2-CD1 3.58Å; W551-L603 WeakPolarHBondContact CA-O 3.4Å; A552-L603 PolarHBondContact N-O 2.03Å; A552-L603 PolarHBondContact O-N 3.42Å; T554-L603 HydrophobicContact CG2-CD1 4.16Å; T554-L603 HydrophobicContact CG2-CG 4.22Å; L559-L603 HydrophobicContact CD1-CD2 3.95Å; V571-L603 HydrophobicContact CG2-CD1 4.08Å; Q584-L603 WeakPolarHBondContact O-CA 3.44Å; V585-L603 HydrophobicContact CB-CD2 4.23Å; V585-L603 HydrophobicContact CG1-CD2 4.04Å; V585-L603 HydrophobicContact CG2-CD2 3.77Å; L603-L605 HydrophobicContact CB-CD2 4.23Å
604	R	90.4	Very high	72.9	Confident	27 Å²	27	47.8 Å²	47.8	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.2	174.2	-171.6	158.4	155.4	-75.5	-5.1	110.1	C550 W551 P582 E583 Q584 H750 E754	C550-R604 CarbonylContact O-C 3.58Å; C550-R604 WeakPolarHBondContact O-CA 3.48Å; W551-R604 HydrophobicContact CD2-CB 4.1Å; W551-R604 HydrophobicContact CD2-CG 4.33Å; W551-R604 HydrophobicContact CE3-CB 3.79Å; W551-R604 HydrophobicContact CH2-CB 3.82Å; W551-R604 HydrophobicContact CH2-CG 4.41Å; W551-R604 HydrophobicContact CZ2-CB 4.1Å; W551-R604 HydrophobicContact CZ2-CG 4.19Å; W551-R604 HydrophobicContact CZ3-CB 3.66Å; P582-R604 CarbonylContact C-O 3.56Å; P582-R604 VanDerWaalsContact CA-O 3.24Å; P582-R604 WeakPolarHBondContact CA-O 3.06Å; P582-R604 WeakPolarHBondContact CB-O 3Å; E583-R604 PolarHBondContact N-O 3.41Å; E583-R604 IonicContact OE2-CZ 3.23Å; E583-R604 IonicContact OE2-NH1 3.7Å; E583-R604 PolarHBondContact OE2-NH1 3.5Å; E583-R604 IonicContact OE2-NH2 2.74Å; E583-R604 PolarHBondContact OE2-NH2 3Å; Q584-R604 HydrophobicContact CB-CB 4.03Å; Q584-R604 PolarHBondContact O-N 2.63Å; R604-H750 PolarHBondContact NE-CD2 2.87Å; R604-H750 VanDerWaalsContact NE-CD2 3.34Å; R604-H750 PolarHBondContact NE-NE2 2.61Å; R604-H750 PolarHBondContact NH1-NE2 3.23Å; R604-H750 PolarHBondContact NH2-NE2 3.41Å; R604-E754 IonicContact CZ-OE1 2.67Å; R604-E754 IonicContact NE-OE1 3.16Å; R604-E754 PolarHBondContact NE-OE1 2.94Å; R604-E754 IonicContact NH2-OE1 2.82Å; R604-E754 PolarHBondContact NH2-OE1 3.46Å
605	L	86.5	Confident	73.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	29%	0.287	C	S	.	.			trans	-110.7	118.9	-170.2	-54.5	-176.2	0	0	0	111	L546 C550 A552 V571 V573 L580 P582 L603 V613	L546-L605 HydrophobicContact CD1-CD1 4.12Å; C550-L605 PolarHBondContact O-N 3.44Å; A552-L605 HydrophobicContact CB-CD1 4.03Å; V571-L605 HydrophobicContact CB-CD2 4.01Å; V571-L605 HydrophobicContact CG1-CD1 4.05Å; V571-L605 HydrophobicContact CG1-CD2 3.85Å; V571-L605 HydrophobicContact CG2-CD2 4.03Å; V573-L605 HydrophobicContact CG2-CD1 3.73Å; L580-L605 HydrophobicContact CD1-CB 4.14Å; L580-L605 HydrophobicContact CD1-CD1 4.5Å; P582-L605 HydrophobicContact CB-CD2 4.16Å; L603-L605 HydrophobicContact CB-CD2 4.23Å; L605-V613 HydrophobicContact CB-CG2 4.13Å
606	P	73.3	Confident	73.7	Confident	28 Å²	28	47 Å²	47	18%	0.182	28%	0.282	C	S	.	.			trans	-87.9	145.7	176	35.3	-33.2	0	0	0	111.7	K581 E583	K581-P606 WeakPolarHBondContact O-CD 3.44Å; K581-P606 WeakPolarHBondContact O-CG 3.36Å; E583-P606 HydrophobicContact CG-CB 3.86Å; E583-P606 HydrophobicContact CG-CG 3.7Å
607	S	58	Low	73.7	Confident	28 Å²	28	47.4 Å²	47.4	20%	0.196	28%	0.282	C	S	.	.			trans	-90.8	162.4	163.4	-175.3	0	0	0	0	110.9	K609 G610 L611 C612	S607-K609 PolarHBondContact O-N 2.95Å; S607-G610 PolarHBondContact O-N 2.99Å; S607-L611 WeakPolarHBondContact CA-O 3.29Å; S607-L611 WeakPolarHBondContact CB-O 3.43Å; S607-L611 PolarHBondContact N-O 3.29Å; S607-C612 VanDerWaalsContact CB-O 3.25Å; S607-C612 WeakPolarHBondContact CB-O 3.23Å
608	A	50.2	Low	73.3	Confident	106 Å²	106	49.7 Å²	49.7	88%	0.876	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	10.2	-172.8	0	0	0	0	0	116.3
609	K	52.2	Low	72.5	Confident	189 Å²	189	47.2 Å²	47.2	82%	0.822	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	12.9	176.7	-63.9	-177.5	-178.6	173.8	0	113.7	S607 L611	S607-K609 PolarHBondContact O-N 2.95Å; K609-L611 VanDerWaalsContact C-N 3.25Å; K609-L611 PolarHBondContact O-N 3.47Å
610	G	55.2	Low	72	Confident	68 Å²	68	47.6 Å²	47.6	70%	0.701	28%	0.283	S	S	*	.	S	Bend	trans	74.2	13.6	-177	0	0	0	0	0	114.6	S607	S607-G610 PolarHBondContact O-N 2.99Å
611	L	62.3	Low	71.8	Confident	126 Å²	126	47.7 Å²	47.7	66%	0.66	28%	0.284	S	S	*	.	S	Bend	trans	-98.4	174.4	166.7	-73.4	156.7	0	0	0	109	S607 K609	S607-L611 WeakPolarHBondContact CA-O 3.29Å; S607-L611 WeakPolarHBondContact CB-O 3.43Å; S607-L611 PolarHBondContact N-O 3.29Å; K609-L611 VanDerWaalsContact C-N 3.25Å; K609-L611 PolarHBondContact O-N 3.47Å
612	C	71.9	Confident	71.6	Confident	30 Å²	30	47.7 Å²	47.7	20%	0.203	28%	0.284	C	S	.	.			trans	-81.8	175.8	175.9	-58.6	0	0	0	0	112.7	P549 C550 S607 T614	P549-C612 HydrophobicContact CB-CB 3.74Å; P549-C612 WeakPolarHBondContact O-CB 3.18Å; C550-C612 HydrophobicContact CB-CB 3.83Å; C550-C612 WeakPolarHBondContact CB-SG 3.47Å; C550-C612 WeakPolarHBondContact SG-CB 3.45Å; C550-C612 CovalentContact SG-SG 2.03Å; C550-C612 PolarHBondContact SG-SG 3.22Å; S607-C612 VanDerWaalsContact CB-O 3.25Å; S607-C612 WeakPolarHBondContact CB-O 3.23Å; C612-T614 PolarHBondContact O-N 3.02Å
613	V	71	Confident	71.5	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.024	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.8	129.5	-179.6	-174.3	0	0	0	0	110.2	P549 L580 L605 T619	P549-V613 WeakPolarHBondContact CB-O 3.37Å; P549-V613 VanDerWaalsContact O-CB 3.27Å; P549-V613 WeakPolarHBondContact O-CB 3.49Å; P549-V613 WeakPolarHBondContact O-CG2 3.31Å; P549-V613 PolarHBondContact O-N 3.39Å; L580-V613 HydrophobicContact CD1-CG2 3.77Å; L605-V613 HydrophobicContact CB-CG2 4.13Å; V613-T619 HydrophobicContact CG1-CG2 3.66Å
614	T	68.4	Low	71.3	Confident	72 Å²	72	49.3 Å²	49.3	44%	0.442	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-73	135.6	176.9	35.1	0	0	0	0	111	C612 E616	C612-T614 PolarHBondContact O-N 3.02Å; T614-E616 WeakPolarHBondContact CB-OE1 3.02Å; T614-E616 PolarHBondContact OG1-OE1 3.36Å
615	F	71.1	Confident	71.2	Confident	67 Å²	67	48.6 Å²	48.6	29%	0.294	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-80.1	124.1	171.1	-66.7	-15.2	0	0	0	110.2	L546 P549 T619 N620 A621	L546-F615 HydrophobicContact CD2-CE1 4.03Å; P549-F615 HydrophobicContact CB-CE1 4.28Å; P549-F615 HydrophobicContact CB-CZ 4.35Å; P549-F615 HydrophobicContact CG-CE1 3.95Å; P549-F615 HydrophobicContact CG-CE2 4Å; P549-F615 HydrophobicContact CG-CZ 3.56Å; F615-T619 CarbonylContact C-O 3.53Å; F615-T619 VanDerWaalsContact CA-O 3.22Å; F615-T619 WeakPolarHBondContact CA-O 3.38Å; F615-N620 WeakPolarHBondContact CD2-OD1 3.23Å; F615-A621 HydrophobicContact CE1-CB 3.98Å; F615-A621 HydrophobicContact CE2-CB 4.3Å; F615-A621 HydrophobicContact CZ-CB 3.45Å; F615-A621 VanDerWaalsContact CZ-CB 3.45Å
616	E	62.7	Low	70.7	Confident	122 Å²	122	51.7 Å²	51.7	57%	0.57	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-138.1	178.9	-172.1	-69.1	177.3	-147.8	0	0	109	T614 N618 T619	T614-E616 WeakPolarHBondContact CB-OE1 3.02Å; T614-E616 PolarHBondContact OG1-OE1 3.36Å; E616-N618 PolarHBondContact O-N 2.84Å; E616-N618 VanDerWaalsContact O-N 3.11Å; E616-T619 PolarHBondContact N-O 3.04Å; E616-T619 PolarHBondContact O-N 3.03Å
617	A	57.3	Low	70	Confident	52 Å²	52	53 Å²	53	43%	0.43	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.5	-175.1	0	0	0	0	0	113.8
618	N	61.9	Low	69.9	Low	57 Å²	57	57.2 Å²	57.2	31%	0.305	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.7	-177.1	-67.3	-22.8	0	0	0	114.1	P524 A575 E616	P524-N618 WeakPolarHBondContact CA-O 3.13Å; P524-N618 WeakPolarHBondContact CB-O 3.26Å; A575-N618 PolarHBondContact N-O 2.79Å; E616-N618 PolarHBondContact O-N 2.84Å; E616-N618 VanDerWaalsContact O-N 3.11Å
619	T	69.8	Low	69.8	Low	7 Å²	7	54.8 Å²	54.8	4%	0.043	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-142.3	113.8	-175.1	-56.5	0	0	0	0	110.6	P524 L546 V573 V613 F615 E616	P524-T619 CarbonylContact O-C 3.5Å; P524-T619 VanDerWaalsContact O-CA 3.31Å; P524-T619 WeakPolarHBondContact O-CA 3.34Å; L546-T619 HydrophobicContact CD2-CG2 4.42Å; V573-T619 HydrophobicContact CG1-CG2 4.01Å; V613-T619 HydrophobicContact CG1-CG2 3.66Å; F615-T619 CarbonylContact C-O 3.53Å; F615-T619 VanDerWaalsContact CA-O 3.22Å; F615-T619 WeakPolarHBondContact CA-O 3.38Å; E616-T619 PolarHBondContact N-O 3.04Å; E616-T619 PolarHBondContact O-N 3.03Å
620	N	79.5	Confident	69.2	Low	15 Å²	15	49.9 Å²	49.9	8%	0.08	32%	0.322	C	S	.	.			trans	-155.2	158.9	-178.9	-168.4	13.2	0	0	0	109.7	M500 P524 W525 F615	M500-N620 PolarHBondContact O-ND2 3.09Å; P524-N620 CarbonylContact C-O 3.4Å; P524-N620 HydrophobicContact CB-CB 4.06Å; P524-N620 HydrophobicContact CG-CB 4.14Å; P524-N620 PolarHBondContact O-N 2.9Å; P524-N620 VanDerWaalsContact O-O 3.13Å; W525-N620 WeakPolarHBondContact CA-O 3.4Å; W525-N620 WeakPolarHBondContact CB-O 3.41Å; W525-N620 PolarHBondContact N-O 3.24Å; F615-N620 WeakPolarHBondContact CD2-OD1 3.23Å
621	A	86.6	Confident	68.6	Low	2 Å²	2	51.6 Å²	51.6	2%	0.017	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-85.6	142.2	173.1	0	0	0	0	0	112.5	C498 G499 L546 F615	C498-A621 WeakPolarHBondContact CA-O 3.39Å; G499-A621 PolarHBondContact N-O 3.45Å; L546-A621 CarbonylContact O-C 3.12Å; L546-A621 WeakPolarHBondContact O-CA 3.47Å; F615-A621 HydrophobicContact CE1-CB 3.98Å; F615-A621 HydrophobicContact CE2-CB 4.3Å; F615-A621 HydrophobicContact CZ-CB 3.45Å; F615-A621 VanDerWaalsContact CZ-CB 3.45Å
622	A	89.6	Confident	67.4	Low	0 Å²	0	49 Å²	49	0%	0	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-74.1	149.6	162.5	0	0	0	0	0	109.9	W525 T545 L546 L704 V714	W525-A622 HydrophobicContact CB-CB 3.96Å; W525-A622 HydrophobicContact CD2-CB 3.97Å; W525-A622 HydrophobicContact CE3-CB 4.21Å; W525-A622 HydrophobicContact CG-CB 3.85Å; T545-A622 HydrophobicContact CG2-CB 3.73Å; L546-A622 PolarHBondContact O-N 2.82Å; A622-L704 HydrophobicContact CB-CD2 3.67Å; A622-L704 HydrophobicContact CB-CG 4.45Å; A622-V714 HydrophobicContact CB-CG2 3.53Å
623	C	90.3	Very high	65.8	Low	9 Å²	9	51.2 Å²	51.2	6%	0.061	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-72.8	143.1	178.2	-71.2	0	0	0	0	111.7	C498 G499 W712 V713 V714	C498-C623 HydrophobicContact CB-CB 3.99Å; C498-C623 WeakPolarHBondContact CB-SG 3.47Å; C498-C623 PolarHBondContact O-SG 2.81Å; C498-C623 WeakPolarHBondContact SG-CA 3.48Å; C498-C623 WeakPolarHBondContact SG-CB 3.49Å; C498-C623 CovalentContact SG-SG 2.05Å; C498-C623 PolarHBondContact SG-SG 3.42Å; G499-C623 PolarHBondContact N-SG 3.17Å; C623-W712 PolarHBondContact N-O 3.18Å; C623-V713 HydrophobicContact CB-CG2 3.94Å; C623-V713 CarbonylContact O-C 3.59Å; C623-V713 WeakPolarHBondContact O-CA 3.48Å; C623-V714 PolarHBondContact O-N 3.32Å
624	L	89.8	Confident	64.5	Low	25 Å²	25	59 Å²	59	13%	0.131	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-83.2	137.7	167.7	-72.8	168.4	0	0	0	110.1	V547 V736 R740 I743 I747	V547-L624 HydrophobicContact CB-CD1 4.25Å; V547-L624 HydrophobicContact CB-CD2 3.96Å; V547-L624 HydrophobicContact CB-CG 3.98Å; V547-L624 HydrophobicContact CG1-CD2 3.77Å; V547-L624 HydrophobicContact CG1-CG 4.24Å; L624-V736 HydrophobicContact CD2-CG1 4.06Å; L624-R740 VanDerWaalsContact CB-NH1 3.34Å; L624-R740 PolarHBondContact O-NH1 3.31Å; L624-R740 VanDerWaalsContact O-NH1 3.1Å; L624-I743 HydrophobicContact CD1-CG2 3.55Å; L624-I743 HydrophobicContact CD2-CD1 3.99Å; L624-I743 HydrophobicContact CD2-CG2 4.13Å; L624-I747 HydrophobicContact CD1-CD1 4.36Å
625	P	87.4	Confident	63.5	Low	11 Å²	11	59.2 Å²	59.2	7%	0.071	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65.1	159.3	-178.8	26.5	-34.9	0	0	0	112.5	V713 V714 V736 R740	P625-V713 HydrophobicContact CB-CG1 3.76Å; P625-V713 HydrophobicContact CG-CG1 4.4Å; P625-V714 VanDerWaalsContact CD-O 3.27Å; P625-V714 WeakPolarHBondContact CD-O 3.33Å; P625-V714 WeakPolarHBondContact CG-O 3.33Å; P625-V736 HydrophobicContact CG-CB 4.05Å; P625-V736 HydrophobicContact CG-CG1 3.83Å; P625-R740 WeakPolarHBondContact O-CD 3.41Å; P625-R740 PolarHBondContact O-NH1 2.89Å
626	A	75.6	Confident	62.7	Low	67 Å²	67	57.7 Å²	57.7	55%	0.554	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-59.8	143.1	173.4	0	0	0	0	0	111.8	N628	A626-N628 PolarHBondContact O-N 2.9Å
627	A	59	Low	63.1	Low	56 Å²	56	55.7 Å²	55.7	46%	0.463	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	128.5	-178.3	0	0	0	0	0	111.3	S629 R740	A627-S629 VanDerWaalsContact C-N 3.29Å; A627-S629 PolarHBondContact O-N 3.4Å; A627-R740 HydrophobicContact CB-CB 4.18Å; A627-R740 HydrophobicContact CB-CG 3.83Å
628	N	55.3	Low	64.3	Low	116 Å²	116	53.6 Å²	53.6	62%	0.62	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.4	178.1	-58.9	-38	0	0	0	115.3	A626 A630	A626-N628 PolarHBondContact O-N 2.9Å; N628-A630 PolarHBondContact O-N 2.98Å
629	S	48	Very low	65.4	Low	55 Å²	55	51 Å²	51	39%	0.385	35%	0.349	S	S	.	.			trans	-61.7	110.3	164.5	54.6	0	0	0	0	110.1	A627	A627-S629 VanDerWaalsContact C-N 3.29Å; A627-S629 PolarHBondContact O-N 3.4Å
630	A	40.6	Very low	66.2	Low	87 Å²	87	50.6 Å²	50.6	72%	0.719	35%	0.347	S	S	*	.			trans	-63.2	147.5	165.6	0	0	0	0	0	109.1	N628 G632	N628-A630 PolarHBondContact O-N 2.98Å; A630-G632 PolarHBondContact O-N 3.16Å
631	T	43.1	Very low	66.2	Low	103 Å²	103	49.9 Å²	49.9	63%	0.632	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	113.1	179.9	44.4	0	0	0	0	110.5
632	G	37.6	Very low	65.8	Low	73 Å²	73	49.8 Å²	49.8	75%	0.753	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.1	-19.8	-172.9	0	0	0	0	0	115.1	A630 K634	A630-G632 PolarHBondContact O-N 3.16Å; G632-K634 PolarHBondContact O-N 3.09Å
633	A	36.9	Very low	65.2	Low	75 Å²	75	50.1 Å²	50.1	62%	0.62	34%	0.344	S	S	*	.	S	Bend	trans	-63.8	131.2	165.7	0	0	0	0	0	110.3	T635	A633-T635 PolarHBondContact O-N 3.3Å; A633-T635 PolarHBondContact O-OG1 2.79Å
634	K	44.6	Very low	64.3	Low	169 Å²	169	50 Å²	50	74%	0.735	34%	0.343	S	S	*	.			trans	-60.2	107.7	167.2	-72.4	179.9	178.1	179.6	0	107.6	G632 E708	G632-K634 PolarHBondContact O-N 3.09Å; K634-E708 WeakPolarHBondContact CD-OE1 3.5Å
635	T	46	Very low	63.2	Low	75 Å²	75	50.6 Å²	50.6	46%	0.46	35%	0.35	S	S	.	.			trans	-96.1	121.9	175	13.4	0	0	0	0	106.8	A633 C705	A633-T635 PolarHBondContact O-N 3.3Å; A633-T635 PolarHBondContact O-OG1 2.79Å; T635-C705 HydrophobicContact CG2-CB 3.86Å
636	G	54.6	Low	62	Low	36 Å²	36	52.2 Å²	52.2	37%	0.371	35%	0.354	S	S	.	.			trans	-70.6	-175.2	174.6	0	0	0	0	0	111.5	C638 Q706	G636-C638 PolarHBondContact O-N 3.02Å; G636-C638 PolarHBondContact O-SG 2.87Å; G636-C638 VanDerWaalsContact O-SG 3.35Å; G636-Q706 WeakPolarHBondContact CA-O 3.26Å; G636-Q706 PolarHBondContact N-O 2.97Å
637	S	72.1	Confident	61.3	Low	80 Å²	80	53 Å²	53	56%	0.559	35%	0.352	S	S	*	.			trans	-46.9	125	-179.1	-53.4	0	0	0	0	112	Q706	S637-Q706 PolarHBondContact O-N 2.91Å
638	C	82.8	Confident	61	Low	8 Å²	8	52 Å²	52	5%	0.054	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.2	-178.1	-54.8	0	0	0	0	111.3	G636 W656 V657 L659 L703 L704 C705	G636-C638 PolarHBondContact O-N 3.02Å; G636-C638 PolarHBondContact O-SG 2.87Å; G636-C638 VanDerWaalsContact O-SG 3.35Å; C638-W656 WeakPolarHBondContact O-CA 3.43Å; C638-V657 PolarHBondContact O-N 3.23Å; C638-L659 VanDerWaalsContact SG-CD1 3.53Å; C638-L703 HydrophobicContact CB-CD1 4.04Å; C638-L704 CarbonylContact C-O 3.44Å; C638-L704 VanDerWaalsContact CA-O 3.26Å; C638-L704 WeakPolarHBondContact CA-O 3.03Å; C638-C705 HydrophobicContact CB-CB 4.06Å; C638-C705 WeakPolarHBondContact CB-SG 3.38Å; C638-C705 WeakPolarHBondContact SG-CB 3.33Å; C638-C705 CovalentContact SG-SG 2.04Å; C638-C705 PolarHBondContact SG-SG 3.01Å
639	V	85.5	Confident	60.4	Low	1 Å²	1	50.2 Å²	50.2	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	178.1	176	0	0	0	0	109	W523 M641 A654 S655 W656 L703 L704 W712	W523-V639 HydrophobicContact CH2-CB 4.41Å; W523-V639 HydrophobicContact CH2-CG1 4.11Å; W523-V639 HydrophobicContact CH2-CG2 4.05Å; W523-V639 HydrophobicContact CZ2-CG1 4.26Å; V639-M641 HydrophobicContact CG1-CG 3.81Å; V639-A654 HydrophobicContact CG1-CB 3.64Å; V639-S655 CarbonylContact C-O 3.37Å; V639-S655 VanDerWaalsContact CA-O 3.31Å; V639-S655 WeakPolarHBondContact CA-O 3.49Å; V639-W656 HydrophobicContact CG2-CD2 3.74Å; V639-W656 HydrophobicContact CG2-CE3 3.3Å; V639-W656 HydrophobicContact CG2-CH2 3.91Å; V639-W656 HydrophobicContact CG2-CZ2 4.27Å; V639-W656 HydrophobicContact CG2-CZ3 3.39Å; V639-L703 WeakPolarHBondContact O-CA 3.32Å; V639-L704 PolarHBondContact N-O 3.27Å; V639-L704 PolarHBondContact O-N 2.86Å; V639-W712 HydrophobicContact CB-CZ3 3.98Å; V639-W712 HydrophobicContact CG2-CH2 3.77Å; V639-W712 HydrophobicContact CG2-CZ3 3.68Å
640	V	85.4	Confident	60.7	Low	0 Å²	0	53.1 Å²	53.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.1	163.2	60.8	0	0	0	0	109.1	V642 A654 S655 V657 P684 G702 L703 V718 Y733	V640-V642 HydrophobicContact CG2-CG1 4.5Å; V640-A654 WeakPolarHBondContact O-CA 3.02Å; V640-S655 PolarHBondContact N-O 2.88Å; V640-S655 PolarHBondContact O-N 3.09Å; V640-V657 HydrophobicContact CB-CG2 4.04Å; V640-V657 HydrophobicContact CG1-CB 4.47Å; V640-V657 HydrophobicContact CG1-CG1 3.71Å; V640-V657 HydrophobicContact CG1-CG2 3.86Å; V640-P684 HydrophobicContact CG1-CB 4.33Å; V640-P684 HydrophobicContact CG2-CB 4.04Å; V640-G702 WeakPolarHBondContact CA-O 3.47Å; V640-L703 HydrophobicContact CB-CD1 4.18Å; V640-V718 HydrophobicContact CG2-CG2 3.79Å; V640-Y733 HydrophobicContact CB-CE1 4.41Å; V640-Y733 HydrophobicContact CG2-CE1 3.88Å
641	M	80.4	Confident	61.9	Low	0 Å²	0	50.4 Å²	50.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.2	-179	-52.4	171.5	-51.8	0	0	110.4	W523 W525 Q526 V639 I653 A654 G701 G702 L704	W523-M641 HydrophobicContact CB-SD 3.9Å; W523-M641 HydrophobicContact CD2-SD 3.76Å; W523-M641 HydrophobicContact CE3-SD 3.6Å; W523-M641 HydrophobicContact CG-SD 3.91Å; W523-M641 HydrophobicContact CZ3-SD 4.36Å; W525-M641 PolarHBondContact NE1-SD 2.72Å; W525-M641 VanDerWaalsContact NE1-SD 3.37Å; Q526-M641 VanDerWaalsContact OE1-CB 3.3Å; V639-M641 HydrophobicContact CG1-CG 3.81Å; M641-I653 WeakPolarHBondContact CA-O 3.27Å; M641-A654 HydrophobicContact CG-CB 4.34Å; M641-G701 WeakPolarHBondContact O-CA 3.33Å; M641-G702 PolarHBondContact N-O 2.76Å; M641-L704 HydrophobicContact CE-CD1 3.41Å; M641-L704 VanDerWaalsContact CE-CD1 3.41Å; M641-L704 HydrophobicContact CE-CD2 3.85Å; M641-L704 HydrophobicContact CE-CG 4.25Å
642	V	77.8	Confident	63.4	Low	0 Å²	0	47.4 Å²	47.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.6	179.5	-62.5	0	0	0	0	110.8	V640 V652 I653 P684 P685 N698	V640-V642 HydrophobicContact CG2-CG1 4.5Å; V642-V652 WeakPolarHBondContact O-CA 3.42Å; V642-I653 HydrophobicContact CG2-CB 4.39Å; V642-I653 PolarHBondContact N-O 2.76Å; V642-I653 PolarHBondContact O-N 3.01Å; V642-P684 HydrophobicContact CG1-CB 3.83Å; V642-P685 HydrophobicContact CG2-CB 4.3Å; V642-P685 HydrophobicContact CG2-CG 3.92Å; V642-N698 HydrophobicContact CB-CB 4.41Å; V642-N698 WeakPolarHBondContact CB-OD1 3.49Å; V642-N698 HydrophobicContact CG1-CB 3.77Å
643	T	77.3	Confident	65.1	Low	6 Å²	6	47 Å²	47	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.8	176.5	-39.8	0	0	0	0	109.4	Q526 S528 W530 P540 S543 S651	Q526-T643 PolarHBondContact NE2-OG1 3.25Å; Q526-T643 VanDerWaalsContact NE2-OG1 3.09Å; S528-T643 VanDerWaalsContact CB-CG2 3.45Å; S528-T643 WeakPolarHBondContact CB-OG1 3.41Å; W530-T643 HydrophobicContact CZ2-CG2 4.13Å; P540-T643 HydrophobicContact CB-CG2 4.44Å; P540-T643 HydrophobicContact CG-CG2 4.38Å; P540-T643 VanDerWaalsContact CG-O 3.24Å; P540-T643 WeakPolarHBondContact CG-O 3.13Å; S543-T643 PolarHBondContact OG-N 2.99Å; S543-T643 PolarHBondContact OG-OG1 2.92Å; T643-S651 WeakPolarHBondContact CA-O 3.48Å; T643-S651 VanDerWaalsContact CG2-O 3.24Å; T643-S651 WeakPolarHBondContact CG2-O 3.42Å
644	T	70.3	Confident	67.1	Low	7 Å²	7	45 Å²	45	4%	0.043	27%	0.274	C	S	.	.			trans	-119	-28.8	-175.5	55.2	0	0	0	0	113.7	D650 S651 I653 T687 L690 H691	T644-D650 PolarHBondContact OG1-O 2.86Å; T644-S651 PolarHBondContact N-O 2.81Å; T644-S651 VanDerWaalsContact OG1-C 3.32Å; T644-S651 WeakPolarHBondContact OG1-CA 3.15Å; T644-S651 PolarHBondContact OG1-O 3.08Å; T644-I653 HydrophobicContact CG2-CB 4.4Å; T644-I653 HydrophobicContact CG2-CD1 3.64Å; T644-I653 HydrophobicContact CG2-CG1 3.71Å; T644-T687 HydrophobicContact CG2-CG2 4.04Å; T644-L690 HydrophobicContact CG2-CD1 4.3Å; T644-H691 PolarHBondContact O-NE2 3.28Å
645	S	67.8	Low	68.6	Low	37 Å²	37	38.9 Å²	38.9	26%	0.259	25%	0.253	S	S	.	.			trans	-146.4	164.5	-177.9	79.5	0	0	0	0	113.1	W530 T647 S651	W530-S645 VanDerWaalsContact CH2-C 3.46Å; S645-T647 PolarHBondContact OG-O 2.82Å; S645-S651 WeakPolarHBondContact OG-CA 3.45Å; S645-S651 VanDerWaalsContact OG-CB 3.25Å; S645-S651 WeakPolarHBondContact OG-CB 3.5Å
646	W	62.2	Low	70	Confident	45 Å²	45	42.9 Å²	42.9	17%	0.17	26%	0.26	C	S	.	.	S	Bend	trans	-73.8	-29	177	-178.8	-95.8	0	0	0	112.5	W530 E535 V570 R572 T579	W530-W646 HydrophobicContact CB-CZ3 3.84Å; W530-W646 AromaticContact CD1-CZ3 3.77Å; W530-W646 AromaticContact CD2-CE3 3.41Å; W530-W646 HydrophobicContact CD2-CE3 3.41Å; W530-W646 VanDerWaalsContact CD2-CE3 3.41Å; W530-W646 AromaticContact CD2-CZ3 3.56Å; W530-W646 HydrophobicContact CD2-CZ3 3.56Å; W530-W646 AromaticContact CE2-CE3 3.64Å; W530-W646 AromaticContact CE2-CZ3 3.98Å; W530-W646 AromaticContact CE3-CE3 3.55Å; W530-W646 HydrophobicContact CE3-CE3 3.55Å; W530-W646 HydrophobicContact CE3-CZ3 4.02Å; W530-W646 AromaticContact CG-CE3 3.87Å; W530-W646 HydrophobicContact CG-CE3 3.87Å; W530-W646 AromaticContact CG-CZ3 3.45Å; W530-W646 HydrophobicContact CG-CZ3 3.45Å; W530-W646 VanDerWaalsContact CG-CZ3 3.45Å; W530-W646 HydrophobicContact CH2-CB 3.98Å; W530-W646 HydrophobicContact CH2-CE3 4.17Å; W530-W646 HydrophobicContact CZ2-CB 4.45Å; W530-W646 HydrophobicContact CZ2-CE3 4.03Å; W530-W646 HydrophobicContact CZ3-CB 4.24Å; W530-W646 AromaticContact CZ3-CE3 3.91Å; W530-W646 HydrophobicContact CZ3-CE3 3.91Å; E535-W646 HydrophobicContact CG-CH2 3.64Å; E535-W646 HydrophobicContact CG-CZ2 3.69Å; E535-W646 HydrophobicContact CG-CZ3 4.43Å; V570-W646 HydrophobicContact CG1-CH2 4.02Å; R572-W646 VanDerWaalsContact CZ-O 3.24Å; R572-W646 PolarHBondContact NH1-O 3.48Å; R572-W646 VanDerWaalsContact NH1-O 3.13Å; T579-W646 HydrophobicContact CG2-CH2 4.45Å
647	T	59.5	Low	71.2	Confident	83 Å²	83	41.8 Å²	41.8	51%	0.509	25%	0.246	S	C	.	.	S	Bend	trans	-153.2	143	-174.9	39.6	0	0	0	0	109.9	S645	S645-T647 PolarHBondContact OG-O 2.82Å
648	G	52.8	Low	71.3	Confident	37 Å²	37	41.7 Å²	41.7	38%	0.381	25%	0.25	S	S	.	.	S	Bend	trans	137.6	167.1	171.8	0	0	0	0	0	113.5	D650 S651	G648-D650 VanDerWaalsContact C-N 3.26Å; G648-D650 PolarHBondContact O-N 2.71Å; G648-S651 WeakPolarHBondContact O-CB 3.38Å; G648-S651 PolarHBondContact O-OG 2.96Å
649	P	44	Very low	71.1	Confident	77 Å²	77	44.4 Å²	44.4	50%	0.5	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-43.2	176.9	-15.8	28.6	0	0	0	111.4	S651	P649-S651 VanDerWaalsContact C-N 3.33Å; P649-S651 PolarHBondContact O-N 2.82Å
650	D	53.4	Low	70.9	Confident	116 Å²	116	47.4 Å²	47.4	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	19.3	-168.2	-38.3	-79.2	0	0	0	112.8	T644 G648 V652	T644-D650 PolarHBondContact OG1-O 2.86Å; G648-D650 VanDerWaalsContact C-N 3.26Å; G648-D650 PolarHBondContact O-N 2.71Å; D650-V652 PolarHBondContact O-N 2.69Å
651	S	66.6	Low	70.7	Confident	31 Å²	31	50 Å²	50	22%	0.217	30%	0.297	C	S	.	.	S	Bend	trans	-65.7	-14.6	-176.7	52.2	0	0	0	0	114	T643 T644 S645 G648 P649	T643-S651 WeakPolarHBondContact CA-O 3.48Å; T643-S651 VanDerWaalsContact CG2-O 3.24Å; T643-S651 WeakPolarHBondContact CG2-O 3.42Å; T644-S651 PolarHBondContact N-O 2.81Å; T644-S651 VanDerWaalsContact OG1-C 3.32Å; T644-S651 WeakPolarHBondContact OG1-CA 3.15Å; T644-S651 PolarHBondContact OG1-O 3.08Å; S645-S651 WeakPolarHBondContact OG-CA 3.45Å; S645-S651 VanDerWaalsContact OG-CB 3.25Å; S645-S651 WeakPolarHBondContact OG-CB 3.5Å; G648-S651 WeakPolarHBondContact O-CB 3.38Å; G648-S651 PolarHBondContact O-OG 2.96Å; P649-S651 VanDerWaalsContact C-N 3.33Å; P649-S651 PolarHBondContact O-N 2.82Å
652	V	74.3	Confident	70.7	Confident	39 Å²	39	51.9 Å²	51.9	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.9	172.3	178.3	0	0	0	0	108.6	Q526 V642 D650	Q526-V652 HydrophobicContact CB-CG1 4.33Å; Q526-V652 HydrophobicContact CG-CB 4.47Å; Q526-V652 HydrophobicContact CG-CG1 3.77Å; Q526-V652 HydrophobicContact CG-CG2 3.79Å; V642-V652 WeakPolarHBondContact O-CA 3.42Å; D650-V652 PolarHBondContact O-N 2.69Å
653	I	73.8	Confident	70.7	Confident	64 Å²	64	60.5 Å²	60.5	33%	0.328	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	171.9	-56.8	-176.5	0	0	0	109.2	M641 V642 T644 P685	M641-I653 WeakPolarHBondContact CA-O 3.27Å; V642-I653 HydrophobicContact CG2-CB 4.39Å; V642-I653 PolarHBondContact N-O 2.76Å; V642-I653 PolarHBondContact O-N 3.01Å; T644-I653 HydrophobicContact CG2-CB 4.4Å; T644-I653 HydrophobicContact CG2-CD1 3.64Å; T644-I653 HydrophobicContact CG2-CG1 3.71Å; I653-P685 HydrophobicContact CB-CG 4.13Å; I653-P685 HydrophobicContact CG2-CB 4.05Å; I653-P685 HydrophobicContact CG2-CG 3.52Å
654	A	77.9	Confident	70.9	Confident	33 Å²	33	64.2 Å²	64.2	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127	173.6	0	0	0	0	0	109.2	W523 V639 V640 M641	W523-A654 HydrophobicContact CD2-CB 4.46Å; W523-A654 HydrophobicContact CZ2-CB 3.68Å; V639-A654 HydrophobicContact CG1-CB 3.64Å; V640-A654 WeakPolarHBondContact O-CA 3.02Å; M641-A654 HydrophobicContact CG-CB 4.34Å
655	S	77	Confident	71.4	Confident	41 Å²	41	64 Å²	64	29%	0.287	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.5	176.1	-175.2	0	0	0	0	111	V639 V640	V639-S655 CarbonylContact C-O 3.37Å; V639-S655 VanDerWaalsContact CA-O 3.31Å; V639-S655 WeakPolarHBondContact CA-O 3.49Å; V640-S655 PolarHBondContact N-O 2.88Å; V640-S655 PolarHBondContact O-N 3.09Å
656	W	74.9	Confident	72.2	Confident	159 Å²	159	66.8 Å²	66.8	60%	0.602	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	126	172.6	-64.2	104.9	0	0	0	109.8	C638 V639 W712	C638-W656 WeakPolarHBondContact O-CA 3.43Å; V639-W656 HydrophobicContact CG2-CD2 3.74Å; V639-W656 HydrophobicContact CG2-CE3 3.3Å; V639-W656 HydrophobicContact CG2-CH2 3.91Å; V639-W656 HydrophobicContact CG2-CZ2 4.27Å; V639-W656 HydrophobicContact CG2-CZ3 3.39Å; W656-W712 AromaticContact CH2-CH2 3.8Å; W656-W712 HydrophobicContact CH2-CH2 3.8Å; W656-W712 HydrophobicContact CH2-CZ2 4.43Å; W656-W712 AromaticContact CZ3-CH2 3.85Å; W656-W712 HydrophobicContact CZ3-CH2 3.85Å
657	V	78.4	Confident	73.1	Confident	13 Å²	13	72.2 Å²	72.2	8%	0.079	39%	0.39	C	S	.	.			trans	-135.6	129.3	-174.8	-71.6	0	0	0	0	111.6	C638 V640 A681 L703	C638-V657 PolarHBondContact O-N 3.23Å; V640-V657 HydrophobicContact CB-CG2 4.04Å; V640-V657 HydrophobicContact CG1-CB 4.47Å; V640-V657 HydrophobicContact CG1-CG1 3.71Å; V640-V657 HydrophobicContact CG1-CG2 3.86Å; V657-A681 HydrophobicContact CG2-CB 4.38Å; V657-L703 HydrophobicContact CG2-CD1 3.39Å
658	A	74.4	Confident	74.1	Confident	79 Å²	79	75.3 Å²	75.3	65%	0.653	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-69.3	130.9	174.2	0	0	0	0	0	110.9	A681 G682	A658-A681 CarbonylContact O-C 3.59Å; A658-A681 WeakPolarHBondContact O-CA 3.39Å; A658-A681 VanDerWaalsContact O-CB 3.31Å; A658-A681 WeakPolarHBondContact O-CB 3.34Å; A658-G682 PolarHBondContact O-N 2.91Å
659	L	80.3	Confident	75.3	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.335	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-68.6	135.1	164.8	-80	172.7	0	0	0	109.7	C638 L679 A681 L703	C638-L659 VanDerWaalsContact SG-CD1 3.53Å; L659-L679 HydrophobicContact CD2-CD1 3.84Å; L659-A681 HydrophobicContact CD2-CB 4.36Å; L659-L703 HydrophobicContact CD2-CD2 3.86Å
660	M	80.8	Confident	77.2	Confident	65 Å²	65	73 Å²	73	32%	0.32	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-98.9	152.4	174.8	-53.1	-171.3	94.3	0	0	111.6	Q664 C680 P730	M660-Q664 HydrophobicContact CB-CB 4.17Å; M660-Q664 HydrophobicContact CE-CB 4.08Å; M660-Q664 HydrophobicContact CE-CG 4.48Å; M660-C680 VanDerWaalsContact CB-SG 3.6Å; M660-C680 PolarHBondContact N-O 2.92Å; M660-C680 VanDerWaalsContact SD-SG 3.63Å; M660-P730 HydrophobicContact SD-CB 3.54Å; M660-P730 VanDerWaalsContact SD-CB 3.54Å; M660-P730 HydrophobicContact SD-CG 3.77Å
661	S	80.7	Confident	78.5	Confident	54 Å²	54	75.1 Å²	75.1	38%	0.378	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-65.1	151.5	172.9	68.9	0	0	0	0	112	W663 Q664 C665	S661-W663 PolarHBondContact O-N 3.02Å; S661-Q664 VanDerWaalsContact CB-OE1 3.31Å; S661-Q664 PolarHBondContact O-N 3.34Å; S661-Q664 VanDerWaalsContact O-N 3.07Å; S661-Q664 WeakPolarHBondContact OG-CG 3.33Å; S661-Q664 PolarHBondContact OG-N 2.81Å; S661-Q664 PolarHBondContact OG-OE1 3.09Å; S661-C665 PolarHBondContact O-N 3.31Å; S661-C665 PolarHBondContact O-SG 2.89Å; S661-C665 VanDerWaalsContact O-SG 3.33Å
662	S	80.7	Confident	78.9	Confident	40 Å²	40	75.6 Å²	75.6	28%	0.28	39%	0.388	S	S	.	.	H	α-helix	trans	-55.8	-26.1	174.6	-64.7	0	0	0	0	113.4	K666 F673	S662-K666 WeakPolarHBondContact O-CB 3.44Å; S662-K666 PolarHBondContact O-N 2.85Å; S662-F673 WeakPolarHBondContact O-CE1 3.46Å
663	W	78.3	Confident	79.2	Confident	181 Å²	181	74.2 Å²	74.2	69%	0.686	38%	0.378	S	S	*	.	H	α-helix	trans	-74.3	-46.9	174.9	179.1	86.5	0	0	0	112.1	S661 C665 K666 K667	S661-W663 PolarHBondContact O-N 3.02Å; W663-C665 VanDerWaalsContact C-N 3.33Å; W663-C665 PolarHBondContact O-N 2.81Å; W663-K666 PolarHBondContact O-N 3.21Å; W663-K667 HydrophobicContact CH2-CD 3.94Å; W663-K667 HydrophobicContact CZ2-CD 4.23Å; W663-K667 HydrophobicContact CZ3-CD 4.32Å; W663-K667 WeakPolarHBondContact O-CB 3.39Å; W663-K667 PolarHBondContact O-N 3.13Å
664	Q	80.6	Confident	79.6	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	38%	0.38	S	S	.	.	H	α-helix	trans	-57.7	-45.5	173	-75.3	157.2	-49.4	0	0	111	M660 S661 K666 K667 R668	M660-Q664 HydrophobicContact CB-CB 4.17Å; M660-Q664 HydrophobicContact CE-CB 4.08Å; M660-Q664 HydrophobicContact CE-CG 4.48Å; S661-Q664 VanDerWaalsContact CB-OE1 3.31Å; S661-Q664 PolarHBondContact O-N 3.34Å; S661-Q664 VanDerWaalsContact O-N 3.07Å; S661-Q664 WeakPolarHBondContact OG-CG 3.33Å; S661-Q664 PolarHBondContact OG-N 2.81Å; S661-Q664 PolarHBondContact OG-OE1 3.09Å; Q664-K666 PolarHBondContact O-N 3.48Å; Q664-K667 PolarHBondContact O-N 2.78Å; Q664-R668 PolarHBondContact O-N 3Å
665	C	81.8	Confident	79.6	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-42.6	175.8	-57.9	0	0	0	0	112.4	S661 W663 R668 F669 F673 C680	S661-C665 PolarHBondContact O-N 3.31Å; S661-C665 PolarHBondContact O-SG 2.89Å; S661-C665 VanDerWaalsContact O-SG 3.33Å; W663-C665 VanDerWaalsContact C-N 3.33Å; W663-C665 PolarHBondContact O-N 2.81Å; C665-R668 PolarHBondContact O-N 3.48Å; C665-F669 WeakPolarHBondContact O-CB 3.22Å; C665-F669 WeakPolarHBondContact O-CD2 3.39Å; C665-F669 PolarHBondContact O-N 3.09Å; C665-F673 HydrophobicContact CB-CD1 3.87Å; C665-F673 HydrophobicContact CB-CD2 3.47Å; C665-F673 VanDerWaalsContact CB-CD2 3.47Å; C665-F673 HydrophobicContact CB-CE1 3.8Å; C665-F673 HydrophobicContact CB-CE2 3.4Å; C665-F673 HydrophobicContact CB-CG 3.7Å; C665-F673 HydrophobicContact CB-CZ 3.57Å; C665-C680 WeakPolarHBondContact CA-SG 3.49Å; C665-C680 HydrophobicContact CB-CB 3.98Å; C665-C680 WeakPolarHBondContact CB-SG 3.22Å; C665-C680 WeakPolarHBondContact SG-CB 3.48Å; C665-C680 PolarHBondContact SG-N 2.85Å; C665-C680 CovalentContact SG-SG 2.04Å; C665-C680 PolarHBondContact SG-SG 3.35Å
666	K	83.3	Confident	79.7	Confident	97 Å²	97	79.1 Å²	79.1	42%	0.422	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-36.9	177.1	-170	65.5	-174.7	172.1	0	112.1	S662 W663 Q664 G670 N671 F673	S662-K666 WeakPolarHBondContact O-CB 3.44Å; S662-K666 PolarHBondContact O-N 2.85Å; W663-K666 PolarHBondContact O-N 3.21Å; Q664-K666 PolarHBondContact O-N 3.48Å; K666-G670 WeakPolarHBondContact CD-O 3.49Å; K666-G670 WeakPolarHBondContact CE-O 3.25Å; K666-G670 PolarHBondContact NZ-O 3.19Å; K666-G670 WeakPolarHBondContact O-CA 3.29Å; K666-G670 PolarHBondContact O-N 3.32Å; K666-N671 PolarHBondContact NZ-OD1 3.1Å; K666-F673 HydrophobicContact CB-CD1 3.86Å; K666-F673 HydrophobicContact CB-CE1 4.23Å; K666-F673 HydrophobicContact CD-CD1 4.07Å
667	K	82.7	Confident	80	Confident	159 Å²	159	72 Å²	72	69%	0.691	38%	0.377	S	S	*	.	H	α-helix	trans	-65.4	-40.8	175.4	-173	179.3	178.3	-176.7	0	112.2	W663 Q664	W663-K667 HydrophobicContact CH2-CD 3.94Å; W663-K667 HydrophobicContact CZ2-CD 4.23Å; W663-K667 HydrophobicContact CZ3-CD 4.32Å; W663-K667 WeakPolarHBondContact O-CB 3.39Å; W663-K667 PolarHBondContact O-N 3.13Å; Q664-K667 PolarHBondContact O-N 2.78Å
668	R	78.9	Confident	80.3	Confident	148 Å²	148	71.6 Å²	71.6	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-80.9	-40.6	-178.5	-176.5	55.8	167.7	160.7	-7.4	114	Q664 C665 S729 P730	Q664-R668 PolarHBondContact O-N 3Å; C665-R668 PolarHBondContact O-N 3.48Å; R668-S729 PolarHBondContact NH2-OG 3.01Å; R668-P730 HydrophobicContact CG-CG 3.94Å
669	F	78.8	Confident	81	Confident	34 Å²	34	68.4 Å²	68.4	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-108.6	-1.9	-170.6	-64.9	-76.3	0	0	0	114.8	C665 N671 S672 F673 C680 P730 L732	C665-F669 WeakPolarHBondContact O-CB 3.22Å; C665-F669 WeakPolarHBondContact O-CD2 3.39Å; C665-F669 PolarHBondContact O-N 3.09Å; F669-N671 PolarHBondContact O-N 3.25Å; F669-N671 VanDerWaalsContact O-N 3.11Å; F669-S672 PolarHBondContact O-N 3.18Å; F669-F673 HydrophobicContact CB-CB 3.78Å; F669-C680 HydrophobicContact CD2-CB 4.29Å; F669-C680 HydrophobicContact CE2-CB 3.73Å; F669-P730 HydrophobicContact CE2-CB 4.42Å; F669-P730 HydrophobicContact CE2-CG 4.05Å; F669-P730 HydrophobicContact CZ-CB 4.46Å; F669-P730 HydrophobicContact CZ-CG 4.1Å; F669-P730 WeakPolarHBondContact CZ-O 3.42Å; F669-L732 HydrophobicContact CB-CD1 4.26Å; F669-L732 HydrophobicContact CB-CD2 4.49Å; F669-L732 HydrophobicContact CD1-CD1 3.64Å; F669-L732 HydrophobicContact CD1-CD2 4.41Å; F669-L732 HydrophobicContact CD1-CG 3.81Å; F669-L732 HydrophobicContact CD2-CD1 4.49Å; F669-L732 HydrophobicContact CD2-CD2 3.82Å; F669-L732 HydrophobicContact CD2-CG 4.02Å; F669-L732 HydrophobicContact CE1-CD1 4.04Å; F669-L732 HydrophobicContact CE1-CG 3.81Å; F669-L732 HydrophobicContact CE2-CD2 4.09Å; F669-L732 HydrophobicContact CE2-CG 4.03Å; F669-L732 HydrophobicContact CG-CD1 3.88Å; F669-L732 HydrophobicContact CG-CD2 3.99Å; F669-L732 HydrophobicContact CG-CG 3.91Å; F669-L732 HydrophobicContact CZ-CD2 4.48Å; F669-L732 HydrophobicContact CZ-CG 3.91Å
670	G	83.1	Confident	81.2	Confident	31 Å²	31	65.3 Å²	65.3	32%	0.32	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	52.8	-118.6	174.1	0	0	0	0	0	112.6	K666	K666-G670 WeakPolarHBondContact CD-O 3.49Å; K666-G670 WeakPolarHBondContact CE-O 3.25Å; K666-G670 PolarHBondContact NZ-O 3.19Å; K666-G670 WeakPolarHBondContact O-CA 3.29Å; K666-G670 PolarHBondContact O-N 3.32Å
671	N	81.1	Confident	81.5	Confident	160 Å²	160	62.2 Å²	62.2	86%	0.856	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-81.6	-11.1	-177.9	-70	-21.6	0	0	0	115	K666 F669 F673	K666-N671 PolarHBondContact NZ-OD1 3.1Å; F669-N671 PolarHBondContact O-N 3.25Å; F669-N671 VanDerWaalsContact O-N 3.11Å; N671-F673 VanDerWaalsContact C-N 3.33Å
672	S	74.5	Confident	81.3	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-74.8	-22.9	172.6	-63.2	0	0	0	0	112.9	F669 Y722	F669-S672 PolarHBondContact O-N 3.18Å; S672-Y722 PolarHBondContact OG-OH 2.04Å
673	F	82.2	Confident	80.9	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.039	30%	0.3	C	S	.	.			trans	-92.7	133.4	176.5	174.3	-100.1	0	0	0	113.4	S662 C665 K666 F669 N671 T678 L732	S662-F673 WeakPolarHBondContact O-CE1 3.46Å; C665-F673 HydrophobicContact CB-CD1 3.87Å; C665-F673 HydrophobicContact CB-CD2 3.47Å; C665-F673 VanDerWaalsContact CB-CD2 3.47Å; C665-F673 HydrophobicContact CB-CE1 3.8Å; C665-F673 HydrophobicContact CB-CE2 3.4Å; C665-F673 HydrophobicContact CB-CG 3.7Å; C665-F673 HydrophobicContact CB-CZ 3.57Å; K666-F673 HydrophobicContact CB-CD1 3.86Å; K666-F673 HydrophobicContact CB-CE1 4.23Å; K666-F673 HydrophobicContact CD-CD1 4.07Å; F669-F673 HydrophobicContact CB-CB 3.78Å; N671-F673 VanDerWaalsContact C-N 3.33Å; F673-T678 WeakPolarHBondContact CD2-OG1 3.4Å; F673-T678 WeakPolarHBondContact CE2-OG1 3.39Å; F673-L732 HydrophobicContact CB-CD2 4.34Å; F673-L732 HydrophobicContact CD2-CD2 3.97Å
674	S	82.6	Confident	80.5	Confident	51 Å²	51	51.3 Å²	51.3	36%	0.357	27%	0.27	S	S	.	.			trans	-127.3	120.9	169.2	173	0	0	0	0	110.2	H676 G677 T678	S674-H676 PolarHBondContact O-N 3.41Å; S674-H676 VanDerWaalsContact O-N 3.08Å; S674-G677 PolarHBondContact O-N 2.84Å; S674-T678 PolarHBondContact N-OG1 3.35Å; S674-T678 PolarHBondContact O-N 3.2Å; S674-T678 PolarHBondContact O-OG1 3.24Å
675	S	77.4	Confident	79.9	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.5	178.4	54.1	0	0	0	0	113.5	R735	S675-R735 PolarHBondContact O-NE 2.76Å; S675-R735 VanDerWaalsContact O-NE 3.15Å; S675-R735 PolarHBondContact O-NH2 3.25Å
676	H	79.3	Confident	79.1	Confident	137 Å²	137	52 Å²	52	63%	0.634	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-32.4	-176.4	-70.3	59.5	0	0	0	113.6	S674 R738	S674-H676 PolarHBondContact O-N 3.41Å; S674-H676 VanDerWaalsContact O-N 3.08Å; H676-R738 WeakPolarHBondContact O-CB 3.25Å; H676-R738 WeakPolarHBondContact O-CD 3.13Å; H676-R738 WeakPolarHBondContact O-CG 3.4Å
677	G	79.6	Confident	78.1	Confident	8 Å²	8	47.9 Å²	47.9	8%	0.082	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-20.5	-175.6	0	0	0	0	0	114.9	S674 R735	S674-G677 PolarHBondContact O-N 2.84Å; G677-R735 WeakPolarHBondContact O-CB 3.5Å; G677-R735 PolarHBondContact O-N 2.9Å
678	T	86.4	Confident	77	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162	-174.8	53.6	0	0	0	0	112.1	F673 S674 Y733 R735	F673-T678 WeakPolarHBondContact CD2-OG1 3.4Å; F673-T678 WeakPolarHBondContact CE2-OG1 3.39Å; S674-T678 PolarHBondContact N-OG1 3.35Å; S674-T678 PolarHBondContact O-N 3.2Å; S674-T678 PolarHBondContact O-OG1 3.24Å; T678-Y733 VanDerWaalsContact CA-O 3.29Å; T678-Y733 WeakPolarHBondContact CA-O 3.4Å; T678-Y733 WeakPolarHBondContact CB-O 3.39Å; T678-R735 PolarHBondContact O-NE 2.83Å; T678-R735 PolarHBondContact O-NH2 3.25Å
679	L	88.6	Confident	75.6	Confident	11 Å²	11	43 Å²	43	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.7	162.9	63.5	87.7	0	0	0	108.1	L659 L703 A715 Y733 R735	L659-L679 HydrophobicContact CD2-CD1 3.84Å; L679-L703 HydrophobicContact CD1-CD2 3.51Å; L679-A715 WeakPolarHBondContact CD2-O 3.44Å; L679-Y733 HydrophobicContact CD1-CD2 3.99Å; L679-Y733 HydrophobicContact CD1-CG 4Å; L679-Y733 PolarHBondContact N-O 2.7Å; L679-Y733 PolarHBondContact O-N 2.9Å; L679-R735 HydrophobicContact CD2-CB 4.41Å; L679-R735 HydrophobicContact CD2-CG 4.45Å
680	C	85	Confident	74.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.6	169	77.2	0	0	0	0	110.5	M660 C665 F669 A731 L732	M660-C680 VanDerWaalsContact CB-SG 3.6Å; M660-C680 PolarHBondContact N-O 2.92Å; M660-C680 VanDerWaalsContact SD-SG 3.63Å; C665-C680 WeakPolarHBondContact CA-SG 3.49Å; C665-C680 HydrophobicContact CB-CB 3.98Å; C665-C680 WeakPolarHBondContact CB-SG 3.22Å; C665-C680 WeakPolarHBondContact SG-CB 3.48Å; C665-C680 PolarHBondContact SG-N 2.85Å; C665-C680 CovalentContact SG-SG 2.04Å; C665-C680 PolarHBondContact SG-SG 3.35Å; F669-C680 HydrophobicContact CD2-CB 4.29Å; F669-C680 HydrophobicContact CE2-CB 3.73Å; C680-A731 VanDerWaalsContact CA-O 3.3Å; C680-A731 WeakPolarHBondContact CA-O 2.96Å; C680-A731 VanDerWaalsContact CB-O 3.25Å; C680-A731 WeakPolarHBondContact CB-O 3.05Å; C680-L732 HydrophobicContact CB-CD2 4.16Å
681	A	85.7	Confident	73.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-178.4	-179.6	0	0	0	0	0	108.6	V657 A658 L659 L703 P730 A731 Y733	V657-A681 HydrophobicContact CG2-CB 4.38Å; A658-A681 CarbonylContact O-C 3.59Å; A658-A681 WeakPolarHBondContact O-CA 3.39Å; A658-A681 VanDerWaalsContact O-CB 3.31Å; A658-A681 WeakPolarHBondContact O-CB 3.34Å; L659-A681 HydrophobicContact CD2-CB 4.36Å; A681-L703 HydrophobicContact CB-CD2 4.15Å; A681-P730 CarbonylContact O-C 3.22Å; A681-P730 WeakPolarHBondContact O-CA 3.4Å; A681-P730 WeakPolarHBondContact O-CB 3.28Å; A681-A731 PolarHBondContact N-O 2.87Å; A681-A731 PolarHBondContact O-N 2.98Å; A681-Y733 HydrophobicContact CB-CD2 4.24Å; A681-Y733 HydrophobicContact CB-CE2 3.68Å
682	G	77.9	Confident	71.6	Confident	24 Å²	24	44.6 Å²	44.6	25%	0.247	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	153.5	165.9	0	0	0	0	0	112.8	A658 Y733	A658-G682 PolarHBondContact O-N 2.91Å; G682-Y733 PolarHBondContact O-OH 2.73Å
683	S	72.1	Confident	70.4	Confident	13 Å²	13	49.4 Å²	49.4	9%	0.091	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.3	178.2	-84.6	0	0	0	0	112.4	S729	S683-S729 WeakPolarHBondContact CB-O 3.34Å; S683-S729 PolarHBondContact OG-O 3.08Å
684	P	69.7	Low	69.1	Low	8 Å²	8	50.1 Å²	50.1	5%	0.052	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.1	160.2	162.2	29.6	-35.3	0	0	0	111	V640 V642 D686 N698	V640-P684 HydrophobicContact CG1-CB 4.33Å; V640-P684 HydrophobicContact CG2-CB 4.04Å; V642-P684 HydrophobicContact CG1-CB 3.83Å; P684-D686 PolarHBondContact O-N 2.83Å; P684-N698 HydrophobicContact CB-CB 4.39Å; P684-N698 HydrophobicContact CG-CB 4.24Å
685	P	68	Low	67.9	Low	25 Å²	25	48.6 Å²	48.6	16%	0.162	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-48.7	136.6	172.8	-25.6	32	0	0	0	112.2	V642 I653 T687 N698	V642-P685 HydrophobicContact CG2-CB 4.3Å; V642-P685 HydrophobicContact CG2-CG 3.92Å; I653-P685 HydrophobicContact CB-CG 4.13Å; I653-P685 HydrophobicContact CG2-CB 4.05Å; I653-P685 HydrophobicContact CG2-CG 3.52Å; P685-T687 PolarHBondContact O-N 3.44Å; P685-N698 PolarHBondContact O-ND2 2.73Å
686	D	65.6	Low	67.1	Low	76 Å²	76	51.3 Å²	51.3	41%	0.406	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.5	117.4	174.3	-173.4	17.5	0	0	0	110.6	P684 S688 C695	P684-D686 PolarHBondContact O-N 2.83Å; D686-S688 WeakPolarHBondContact OD1-CB 3.47Å; D686-S688 PolarHBondContact OD1-N 2.03Å; D686-S688 PolarHBondContact OD1-OG 2.8Å; D686-S688 WeakPolarHBondContact OD2-CB 3.49Å; D686-S688 PolarHBondContact OD2-OG 2.73Å; D686-C695 PolarHBondContact OD1-SG 3.26Å
687	T	61.3	Low	66.2	Low	9 Å²	9	45.5 Å²	45.5	6%	0.055	28%	0.276	C	S	.	.			trans	-99.1	4.9	177.9	60.9	0	0	0	0	112.6	T644 P685 L689 L690 N698	T644-T687 HydrophobicContact CG2-CG2 4.04Å; P685-T687 PolarHBondContact O-N 3.44Å; T687-L689 VanDerWaalsContact C-N 3.29Å; T687-L689 PolarHBondContact O-N 3.2Å; T687-L690 PolarHBondContact O-N 3.05Å; T687-N698 WeakPolarHBondContact CG2-OD1 3.46Å
688	S	58.5	Low	65.9	Low	39 Å²	39	45.2 Å²	45.2	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-51.7	-45.1	-177.2	65.1	0	0	0	0	113	D686 L690 H691 G692	D686-S688 WeakPolarHBondContact OD1-CB 3.47Å; D686-S688 PolarHBondContact OD1-N 2.03Å; D686-S688 PolarHBondContact OD1-OG 2.8Å; D686-S688 WeakPolarHBondContact OD2-CB 3.49Å; D686-S688 PolarHBondContact OD2-OG 2.73Å; S688-L690 PolarHBondContact O-N 2.74Å; S688-L690 VanDerWaalsContact O-N 3.16Å; S688-H691 PolarHBondContact O-N 2.92Å; S688-G692 PolarHBondContact O-N 2.81Å
689	L	50	Low	65.8	Low	165 Å²	165	45.4 Å²	45.4	86%	0.864	27%	0.274	S	S	*	.	H	α-helix	trans	-62.7	-18.1	-179.5	-63.4	175.7	0	0	0	114.5	T687	T687-L689 VanDerWaalsContact C-N 3.29Å; T687-L689 PolarHBondContact O-N 3.2Å
690	L	54.9	Low	65.7	Low	109 Å²	109	44.9 Å²	44.9	57%	0.571	27%	0.272	S	S	*	.	H	α-helix	trans	-95.8	-31.1	-176.9	-64.6	174	0	0	0	113.5	T644 T687 S688	T644-L690 HydrophobicContact CG2-CD1 4.3Å; T687-L690 PolarHBondContact O-N 3.05Å; S688-L690 PolarHBondContact O-N 2.74Å; S688-L690 VanDerWaalsContact O-N 3.16Å
691	H	55.7	Low	65.8	Low	80 Å²	80	44.9 Å²	44.9	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-134.7	-6.4	-167.9	-65.2	-72	0	0	0	115.9	T644 S688 D693	T644-H691 PolarHBondContact O-NE2 3.28Å; S688-H691 PolarHBondContact O-N 2.92Å; H691-D693 PolarHBondContact O-N 2.88Å
692	G	48.8	Very low	66	Low	70 Å²	70	44.9 Å²	44.9	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	74.2	-35.8	176.1	0	0	0	0	0	116.1	S688 G694	S688-G692 PolarHBondContact O-N 2.81Å; G692-G694 PolarHBondContact O-N 2.77Å
693	D	49.5	Very low	66.6	Low	143 Å²	143	43.7 Å²	43.7	77%	0.765	26%	0.26	S	S	*	.	S	Bend	trans	-78.6	11	179.1	-79.9	-19.2	0	0	0	114.2	H691	H691-D693 PolarHBondContact O-N 2.88Å
694	G	54.6	Low	67.5	Low	24 Å²	24	43.1 Å²	43.1	25%	0.247	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	68.8	-162.9	-179.6	0	0	0	0	0	114.4	G692 Q696	G692-G694 PolarHBondContact O-N 2.77Å; G694-Q696 PolarHBondContact O-N 2.8Å
695	C	58.2	Low	68.3	Low	20 Å²	20	42.9 Å²	42.9	14%	0.135	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.3	26.5	-176.6	-75.1	0	0	0	0	115.4	D686 G697 N698 C724	D686-C695 PolarHBondContact OD1-SG 3.26Å; C695-G697 VanDerWaalsContact C-N 3.29Å; C695-G697 PolarHBondContact O-N 2.83Å; C695-N698 HydrophobicContact CB-CB 4.24Å; C695-N698 WeakPolarHBondContact O-CB 3.02Å; C695-N698 PolarHBondContact O-N 2.78Å; C695-N698 PolarHBondContact SG-ND2 2.77Å; C695-C724 HydrophobicContact CB-CB 3.49Å; C695-C724 VanDerWaalsContact CB-CB 3.49Å; C695-C724 WeakPolarHBondContact CB-SG 3.43Å; C695-C724 WeakPolarHBondContact SG-CB 3.49Å; C695-C724 CovalentContact SG-SG 2.02Å; C695-C724 PolarHBondContact SG-SG 3.37Å
696	Q	59.3	Low	68.9	Low	111 Å²	111	45 Å²	45	52%	0.519	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-61.8	-37.7	-178.8	-166.8	153.9	102.8	0	0	111.7	G694 N698 S699	G694-Q696 PolarHBondContact O-N 2.8Å; Q696-N698 VanDerWaalsContact C-N 3.33Å; Q696-N698 PolarHBondContact O-N 3.1Å; Q696-S699 VanDerWaalsContact O-CB 3.28Å; Q696-S699 WeakPolarHBondContact O-CB 3.49Å; Q696-S699 PolarHBondContact O-N 3.31Å; Q696-S699 PolarHBondContact O-OG 2.03Å
697	G	61.7	Low	69	Low	14 Å²	14	45.5 Å²	45.5	14%	0.144	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13.8	176.2	0	0	0	0	0	116.3	P540 C542 S543 C695 S699	P540-G697 VanDerWaalsContact O-CA 3.31Å; P540-G697 WeakPolarHBondContact O-CA 3.42Å; C542-G697 CarbonylContact C-O 3.53Å; S543-G697 PolarHBondContact N-O 3.14Å; S543-G697 PolarHBondContact OG-O 2.99Å; C695-G697 VanDerWaalsContact C-N 3.29Å; C695-G697 PolarHBondContact O-N 2.83Å; G697-S699 PolarHBondContact O-N 2.61Å
698	N	73.2	Confident	68.7	Low	2 Å²	2	52.7 Å²	52.7	1%	0.011	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-73.2	-17.7	173	-71.1	-5.7	0	0	0	112	V642 P684 P685 T687 C695 Q696 G700 G701 V718	V642-N698 HydrophobicContact CB-CB 4.41Å; V642-N698 WeakPolarHBondContact CB-OD1 3.49Å; V642-N698 HydrophobicContact CG1-CB 3.77Å; P684-N698 HydrophobicContact CB-CB 4.39Å; P684-N698 HydrophobicContact CG-CB 4.24Å; P685-N698 PolarHBondContact O-ND2 2.73Å; T687-N698 WeakPolarHBondContact CG2-OD1 3.46Å; C695-N698 HydrophobicContact CB-CB 4.24Å; C695-N698 WeakPolarHBondContact O-CB 3.02Å; C695-N698 PolarHBondContact O-N 2.78Å; C695-N698 PolarHBondContact SG-ND2 2.77Å; Q696-N698 VanDerWaalsContact C-N 3.33Å; Q696-N698 PolarHBondContact O-N 3.1Å; N698-G700 PolarHBondContact O-N 2.91Å; N698-G701 PolarHBondContact O-N 2.9Å; N698-G701 VanDerWaalsContact O-N 3.08Å; N698-V718 WeakPolarHBondContact O-CB 3.37Å; N698-V718 WeakPolarHBondContact O-CG1 3.47Å
699	S	84.3	Confident	68.9	Low	10 Å²	10	54.1 Å²	54.1	7%	0.07	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	133.5	177.5	-54.1	0	0	0	0	111.1	C542 S543 Q696 G697 G701	C542-S699 WeakPolarHBondContact CA-O 3.41Å; S543-S699 PolarHBondContact N-O 2.98Å; Q696-S699 VanDerWaalsContact O-CB 3.28Å; Q696-S699 WeakPolarHBondContact O-CB 3.49Å; Q696-S699 PolarHBondContact O-N 3.31Å; Q696-S699 PolarHBondContact O-OG 2.03Å; G697-S699 PolarHBondContact O-N 2.61Å; S699-G701 VanDerWaalsContact C-N 3.3Å; S699-G701 PolarHBondContact O-N 3.2Å
700	G	84.8	Confident	69.7	Low	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-8.4	-178	0	0	0	0	0	115.5	S543 G544 S555 N698 V718	S543-G700 CarbonylContact C-O 3.57Å; S543-G700 CarbonylContact O-C 3.5Å; S543-G700 WeakPolarHBondContact O-CA 3.3Å; G544-G700 WeakPolarHBondContact CA-O 3.5Å; S555-G700 VanDerWaalsContact CB-CA 3.48Å; S555-G700 VanDerWaalsContact CB-N 3.34Å; S555-G700 VanDerWaalsContact N-CA 3.33Å; N698-G700 PolarHBondContact O-N 2.91Å; G700-V718 PolarHBondContact N-O 2.84Å
701	G	87.3	Confident	70.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.			trans	-55.4	144	175	0	0	0	0	0	112.6	S543 M641 N698 S699 V717 V718	S543-G701 VanDerWaalsContact CB-CA 3.49Å; M641-G701 WeakPolarHBondContact O-CA 3.33Å; N698-G701 PolarHBondContact O-N 2.9Å; N698-G701 VanDerWaalsContact O-N 3.08Å; S699-G701 VanDerWaalsContact C-N 3.3Å; S699-G701 PolarHBondContact O-N 3.2Å; G701-V717 WeakPolarHBondContact O-CA 3.46Å; G701-V718 VanDerWaalsContact O-CG2 3.32Å; G701-V718 WeakPolarHBondContact O-CG2 3.21Å; G701-V718 PolarHBondContact O-N 3.01Å
702	G	89.8	Confident	72.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.2	-179.7	0	0	0	0	0	111.7	T545 V640 M641	T545-G702 WeakPolarHBondContact OG1-CA 3.35Å; V640-G702 WeakPolarHBondContact CA-O 3.47Å; M641-G702 PolarHBondContact N-O 2.76Å
703	L	91	Very high	74.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.5	157.7	178.4	71.3	0	0	0	107.8	C638 V639 V640 V657 L659 L679 A681 A715 G716 Y733	C638-L703 HydrophobicContact CB-CD1 4.04Å; V639-L703 WeakPolarHBondContact O-CA 3.32Å; V640-L703 HydrophobicContact CB-CD1 4.18Å; V657-L703 HydrophobicContact CG2-CD1 3.39Å; L659-L703 HydrophobicContact CD2-CD2 3.86Å; L679-L703 HydrophobicContact CD1-CD2 3.51Å; A681-L703 HydrophobicContact CB-CD2 4.15Å; L703-A715 PolarHBondContact O-N 2.79Å; L703-G716 PolarHBondContact N-O 3.39Å; L703-G716 PolarHBondContact O-N 3.07Å; L703-G716 VanDerWaalsContact O-N 3.12Å; L703-Y733 HydrophobicContact CB-CD1 3.69Å; L703-Y733 HydrophobicContact CB-CE1 3.74Å; L703-Y733 HydrophobicContact CD1-CE1 4.39Å; L703-Y733 HydrophobicContact CD2-CD1 4.15Å; L703-Y733 HydrophobicContact CD2-CD2 4.45Å; L703-Y733 HydrophobicContact CD2-CE1 4.31Å; L703-Y733 HydrophobicContact CD2-CG 4.22Å; L703-Y733 HydrophobicContact CG-CD1 4.47Å; L703-Y733 HydrophobicContact CG-CE1 4.38Å
704	L	90.6	Very high	76.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.2	179	-71	65.7	0	0	0	109.3	W525 T545 A622 C638 V639 M641 W712 V713 V714	W525-L704 HydrophobicContact CD2-CD2 4.12Å; W525-L704 HydrophobicContact CG-CD2 4.14Å; W525-L704 HydrophobicContact CZ2-CD2 4.12Å; W525-L704 VanDerWaalsContact NE1-CD2 3.28Å; T545-L704 HydrophobicContact CG2-CD1 4.23Å; T545-L704 HydrophobicContact CG2-CD2 4.42Å; A622-L704 HydrophobicContact CB-CD2 3.67Å; A622-L704 HydrophobicContact CB-CG 4.45Å; C638-L704 CarbonylContact C-O 3.44Å; C638-L704 VanDerWaalsContact CA-O 3.26Å; C638-L704 WeakPolarHBondContact CA-O 3.03Å; V639-L704 PolarHBondContact N-O 3.27Å; V639-L704 PolarHBondContact O-N 2.86Å; M641-L704 HydrophobicContact CE-CD1 3.41Å; M641-L704 VanDerWaalsContact CE-CD1 3.41Å; M641-L704 HydrophobicContact CE-CD2 3.85Å; M641-L704 HydrophobicContact CE-CG 4.25Å; L704-W712 HydrophobicContact CB-CE3 3.95Å; L704-W712 HydrophobicContact CD2-CB 4.27Å; L704-V713 CarbonylContact C-O 3.5Å; L704-V713 VanDerWaalsContact CA-O 3.23Å; L704-V713 WeakPolarHBondContact CA-O 3.36Å; L704-V714 HydrophobicContact CD1-CG1 4.33Å; L704-V714 HydrophobicContact CD1-CG2 4.35Å; L704-V714 HydrophobicContact CG-CG2 4.15Å
705	C	87.4	Confident	77.9	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.6	172.6	-57	0	0	0	0	109.1	T635 C638 V713	T635-C705 HydrophobicContact CG2-CB 3.86Å; C638-C705 HydrophobicContact CB-CB 4.06Å; C638-C705 WeakPolarHBondContact CB-SG 3.38Å; C638-C705 WeakPolarHBondContact SG-CB 3.33Å; C638-C705 CovalentContact SG-SG 2.04Å; C638-C705 PolarHBondContact SG-SG 3.01Å; C705-V713 PolarHBondContact N-O 3.43Å; C705-V713 PolarHBondContact O-N 2.04Å
706	Q	81	Confident	79.5	Confident	69 Å²	69	33.4 Å²	33.4	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.2	173	-157.7	171.4	18.8	0	0	110	G636 S637 G710 R711 W712	G636-Q706 WeakPolarHBondContact CA-O 3.26Å; G636-Q706 PolarHBondContact N-O 2.97Å; S637-Q706 PolarHBondContact O-N 2.91Å; Q706-G710 PolarHBondContact NE2-O 3.42Å; Q706-R711 WeakPolarHBondContact CA-O 3.35Å; Q706-W712 HydrophobicContact CB-CD2 4.45Å; Q706-W712 HydrophobicContact CB-CH2 4.48Å; Q706-W712 HydrophobicContact CB-CZ2 4.3Å; Q706-W712 HydrophobicContact CG-CZ2 4.41Å
707	E	67.6	Low	81	Confident	87 Å²	87	28.2 Å²	28.2	41%	0.407	15%	0.154	S	C	.	.			trans	-82.3	162.9	169.3	-76.4	-175.2	164.1	0	0	111.4	S709 G710 R711 V713	E707-S709 WeakPolarHBondContact CB-OG 3.06Å; E707-S709 PolarHBondContact O-N 3.14Å; E707-S709 PolarHBondContact OE2-OG 2.87Å; E707-G710 WeakPolarHBondContact O-CA 3.43Å; E707-G710 PolarHBondContact O-N 3.02Å; E707-R711 PolarHBondContact N-O 3.46Å; E707-V713 HydrophobicContact CG-CG2 3.72Å
708	E	55.4	Low	82.2	Confident	160 Å²	160	28 Å²	28	75%	0.748	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-19.1	168.3	-59.5	177.8	166.6	0	0	112.9	K634 G710	K634-E708 WeakPolarHBondContact CD-OE1 3.5Å; E708-G710 PolarHBondContact O-N 2.84Å
709	S	61.6	Low	82.7	Confident	70 Å²	70	28.5 Å²	28.5	49%	0.49	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.3	172.7	69.3	0	0	0	0	114.3	E707 R711	E707-S709 WeakPolarHBondContact CB-OG 3.06Å; E707-S709 PolarHBondContact O-N 3.14Å; E707-S709 PolarHBondContact OE2-OG 2.87Å; S709-R711 PolarHBondContact O-N 2.84Å; S709-R711 WeakPolarHBondContact OG-CB 3.44Å; S709-R711 WeakPolarHBondContact OG-CG 3.44Å; S709-R711 PolarHBondContact OG-N 3.43Å
710	G	67.4	Low	81.9	Confident	36 Å²	36	28.2 Å²	28.2	37%	0.371	15%	0.153	S	C	.	.	S	Bend	trans	74.6	-8.3	-171.1	0	0	0	0	0	114.3	Q706 E707 E708	Q706-G710 PolarHBondContact NE2-O 3.42Å; E707-G710 WeakPolarHBondContact O-CA 3.43Å; E707-G710 PolarHBondContact O-N 3.02Å; E708-G710 PolarHBondContact O-N 2.84Å
711	R	77.5	Confident	80.7	Confident	95 Å²	95	30.7 Å²	30.7	36%	0.358	18%	0.179	S	C	.	.			trans	-78.4	147.2	-178	-62.4	-174.3	-179.5	-153.1	3.5	112.2	G499 M500 Q706 E707 S709	G499-R711 WeakPolarHBondContact O-CA 3.34Å; M500-R711 HydrophobicContact SD-CG 4.25Å; Q706-R711 WeakPolarHBondContact CA-O 3.35Å; E707-R711 PolarHBondContact N-O 3.46Å; S709-R711 PolarHBondContact O-N 2.84Å; S709-R711 WeakPolarHBondContact OG-CB 3.44Å; S709-R711 WeakPolarHBondContact OG-CG 3.44Å; S709-R711 PolarHBondContact OG-N 3.43Å
712	W	85.6	Confident	79.4	Confident	12 Å²	12	34.5 Å²	34.5	5%	0.045	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.3	175.5	-68.5	77.9	0	0	0	111.4	G499 W523 W525 C623 V639 W656 L704 Q706	G499-W712 WeakPolarHBondContact CA-O 3.14Å; G499-W712 PolarHBondContact O-N 2.92Å; W523-W712 HydrophobicContact CH2-CH2 4.05Å; W523-W712 HydrophobicContact CH2-CZ2 4.38Å; W523-W712 HydrophobicContact CH2-CZ3 4.36Å; W523-W712 HydrophobicContact CZ3-CD2 4.48Å; W523-W712 HydrophobicContact CZ3-CE3 4.31Å; W523-W712 HydrophobicContact CZ3-CH2 4.14Å; W523-W712 HydrophobicContact CZ3-CZ2 4.31Å; W523-W712 HydrophobicContact CZ3-CZ3 4.14Å; W525-W712 HydrophobicContact CH2-CB 3.43Å; W525-W712 VanDerWaalsContact CH2-CB 3.43Å; W525-W712 AromaticContact CH2-CD1 3.56Å; W525-W712 HydrophobicContact CH2-CD2 4.34Å; W525-W712 AromaticContact CH2-CG 3.45Å; W525-W712 HydrophobicContact CH2-CG 3.45Å; W525-W712 VanDerWaalsContact CH2-CG 3.45Å; W525-W712 HydrophobicContact CZ2-CB 3.62Å; W525-W712 HydrophobicContact CZ2-CD2 4.09Å; W525-W712 AromaticContact CZ2-CG 3.6Å; W525-W712 HydrophobicContact CZ2-CG 3.6Å; W525-W712 HydrophobicContact CZ3-CB 4.15Å; C623-W712 PolarHBondContact N-O 3.18Å; V639-W712 HydrophobicContact CB-CZ3 3.98Å; V639-W712 HydrophobicContact CG2-CH2 3.77Å; V639-W712 HydrophobicContact CG2-CZ3 3.68Å; W656-W712 AromaticContact CH2-CH2 3.8Å; W656-W712 HydrophobicContact CH2-CH2 3.8Å; W656-W712 HydrophobicContact CH2-CZ2 4.43Å; W656-W712 AromaticContact CZ3-CH2 3.85Å; W656-W712 HydrophobicContact CZ3-CH2 3.85Å; L704-W712 HydrophobicContact CB-CE3 3.95Å; L704-W712 HydrophobicContact CD2-CB 4.27Å; Q706-W712 HydrophobicContact CB-CD2 4.45Å; Q706-W712 HydrophobicContact CB-CH2 4.48Å; Q706-W712 HydrophobicContact CB-CZ2 4.3Å; Q706-W712 HydrophobicContact CG-CZ2 4.41Å
713	V	89.5	Confident	77.6	Confident	12 Å²	12	36.4 Å²	36.4	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.1	-174.7	-178.9	0	0	0	0	110.6	C623 P625 L704 C705 E707 A715	C623-V713 HydrophobicContact CB-CG2 3.94Å; C623-V713 CarbonylContact O-C 3.59Å; C623-V713 WeakPolarHBondContact O-CA 3.48Å; P625-V713 HydrophobicContact CB-CG1 3.76Å; P625-V713 HydrophobicContact CG-CG1 4.4Å; L704-V713 CarbonylContact C-O 3.5Å; L704-V713 VanDerWaalsContact CA-O 3.23Å; L704-V713 WeakPolarHBondContact CA-O 3.36Å; C705-V713 PolarHBondContact N-O 3.43Å; C705-V713 PolarHBondContact O-N 2.04Å; E707-V713 HydrophobicContact CG-CG2 3.72Å; V713-A715 PolarHBondContact O-N 3.19Å
714	V	92.4	Very high	76	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	96.7	177.7	-163.2	0	0	0	0	110	T545 V547 L553 A622 C623 P625 L704 V736	T545-V714 HydrophobicContact CG2-CG2 3.86Å; V547-V714 HydrophobicContact CG1-CG2 4.2Å; L553-V714 HydrophobicContact CD2-CG1 4.49Å; A622-V714 HydrophobicContact CB-CG2 3.53Å; C623-V714 PolarHBondContact O-N 3.32Å; P625-V714 VanDerWaalsContact CD-O 3.27Å; P625-V714 WeakPolarHBondContact CD-O 3.33Å; P625-V714 WeakPolarHBondContact CG-O 3.33Å; L704-V714 HydrophobicContact CD1-CG1 4.33Å; L704-V714 HydrophobicContact CD1-CG2 4.35Å; L704-V714 HydrophobicContact CG-CG2 4.15Å; V714-V736 HydrophobicContact CG1-CG2 4.05Å; V714-V736 WeakPolarHBondContact O-CB 3.11Å
715	A	90.3	Very high	74.1	Confident	20 Å²	20	43.7 Å²	43.7	17%	0.165	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-38.2	179.2	0	0	0	0	0	112.1	L679 L703 V713 V736	L679-A715 WeakPolarHBondContact CD2-O 3.44Å; L703-A715 PolarHBondContact O-N 2.79Å; V713-A715 PolarHBondContact O-N 3.19Å; A715-V736 PolarHBondContact O-N 3.32Å; A715-V736 VanDerWaalsContact O-N 3.09Å
716	G	90.9	Very high	72.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.8	-175.7	0	0	0	0	0	113.9	L703 T734	L703-G716 PolarHBondContact N-O 3.39Å; L703-G716 PolarHBondContact O-N 3.07Å; L703-G716 VanDerWaalsContact O-N 3.12Å; G716-T734 VanDerWaalsContact CA-O 3.32Å; G716-T734 WeakPolarHBondContact CA-O 3Å
717	V	90.9	Very high	70.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.6	170.8	173.8	0	0	0	0	108	L553 L600 G701 A719 Y733 T734 V736	L553-V717 HydrophobicContact CD2-CG2 3.69Å; L553-V717 HydrophobicContact CG-CG2 3.98Å; L600-V717 HydrophobicContact CD1-CB 4.46Å; L600-V717 HydrophobicContact CD1-CG2 4.49Å; G701-V717 WeakPolarHBondContact O-CA 3.46Å; V717-A719 PolarHBondContact O-N 2.79Å; V717-Y733 CarbonylContact O-C 3.57Å; V717-Y733 WeakPolarHBondContact O-CA 3.37Å; V717-T734 PolarHBondContact N-O 2.66Å; V717-T734 VanDerWaalsContact N-O 3.07Å; V717-T734 PolarHBondContact O-N 2.91Å; V717-V736 HydrophobicContact CG2-CG2 3.84Å
718	V	87.9	Confident	70.2	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	118.3	179	176.8	0	0	0	0	109.4	V640 N698 G700 G701 Y733	V640-V718 HydrophobicContact CG2-CG2 3.79Å; N698-V718 WeakPolarHBondContact O-CB 3.37Å; N698-V718 WeakPolarHBondContact O-CG1 3.47Å; G700-V718 PolarHBondContact N-O 2.84Å; G701-V718 VanDerWaalsContact O-CG2 3.32Å; G701-V718 WeakPolarHBondContact O-CG2 3.21Å; G701-V718 PolarHBondContact O-N 3.01Å; V718-Y733 HydrophobicContact CB-CD1 4.39Å; V718-Y733 HydrophobicContact CB-CE1 4.4Å; V718-Y733 HydrophobicContact CG2-CD1 3.87Å; V718-Y733 HydrophobicContact CG2-CE1 3.48Å; V718-Y733 VanDerWaalsContact CG2-CE1 3.48Å
719	A	83.3	Confident	70.6	Confident	14 Å²	14	42.8 Å²	42.8	12%	0.116	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-86.2	134.8	-178	0	0	0	0	0	111.1	D599 V717 G721 L732	D599-A719 HydrophobicContact CB-CB 4.45Å; D599-A719 WeakPolarHBondContact OD2-CA 3.32Å; V717-A719 PolarHBondContact O-N 2.79Å; A719-G721 PolarHBondContact O-N 3.31Å; A719-L732 WeakPolarHBondContact CB-O 3.49Å; A719-L732 PolarHBondContact N-O 2.87Å; A719-L732 VanDerWaalsContact N-O 3.08Å
720	G	67.9	Low	71.4	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	132.8	-177.2	0	0	0	0	0	112.7	S557 Q594 D599	S557-G720 WeakPolarHBondContact OG-CA 3.02Å; Q594-G720 VanDerWaalsContact CG-O 3.29Å; Q594-G720 WeakPolarHBondContact CG-O 3.46Å; Q594-G720 PolarHBondContact NE2-O 2.82Å; D599-G720 PolarHBondContact OD2-N 3.31Å
721	G	59.5	Low	72	Confident	52 Å²	52	38.8 Å²	38.8	54%	0.536	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-1	173.5	0	0	0	0	0	116.8	A719	A719-G721 PolarHBondContact O-N 3.31Å
722	Y	58.8	Low	72.4	Confident	80 Å²	80	34.5 Å²	34.5	31%	0.314	24%	0.235	S	C	.	.	S	Bend	trans	-134.5	75.3	-178.5	-69.3	-70.9	0	0	0	112.9	Q594 S672 A731 L732	Q594-Y722 HydrophobicContact CB-CE2 4.5Å; S672-Y722 PolarHBondContact OG-OH 2.04Å; Y722-A731 WeakPolarHBondContact O-CB 3.34Å; Y722-L732 HydrophobicContact CD1-CD1 4.31Å; Y722-L732 HydrophobicContact CD2-CD1 3.84Å; Y722-L732 HydrophobicContact CE2-CD1 4.27Å; Y722-L732 HydrophobicContact CG-CD1 3.86Å; Y722-L732 PolarHBondContact O-N 2.03Å
723	G	52.9	Low	72.6	Confident	40 Å²	40	33.9 Å²	33.9	41%	0.412	23%	0.233	S	C	.	.			trans	175.2	155.1	172.7	0	0	0	0	0	113.1
724	C	57.9	Low	72.6	Confident	22 Å²	22	33.3 Å²	33.3	15%	0.149	23%	0.23	C	C	.	.			trans	66.5	78	177.2	-48.3	0	0	0	0	117.6	C695	C695-C724 HydrophobicContact CB-CB 3.49Å; C695-C724 VanDerWaalsContact CB-CB 3.49Å; C695-C724 WeakPolarHBondContact CB-SG 3.43Å; C695-C724 WeakPolarHBondContact SG-CB 3.49Å; C695-C724 CovalentContact SG-SG 2.02Å; C695-C724 PolarHBondContact SG-SG 3.37Å
725	S	49.5	Very low	72.6	Confident	131 Å²	131	34.8 Å²	34.8	92%	0.916	24%	0.235	S	C	*	.	S	Bend	trans	-140.1	12.9	146.8	-53.3	0	0	0	0	111.9
726	D	52.9	Low	72.6	Confident	60 Å²	60	33.9 Å²	33.9	32%	0.321	23%	0.227	S	C	.	.			trans	-175.1	116	-175.2	162	21.1	0	0	0	107	S728 S729	D726-S728 PolarHBondContact O-N 3.19Å; D726-S728 WeakPolarHBondContact OD1-CA 3.33Å; D726-S728 WeakPolarHBondContact OD1-CB 3.37Å; D726-S728 PolarHBondContact OD1-N 3.22Å; D726-S728 PolarHBondContact OD1-OG 2.97Å; D726-S728 PolarHBondContact OD2-OG 2.62Å; D726-S729 PolarHBondContact O-N 2.9Å; D726-S729 WeakPolarHBondContact OD2-CB 3.43Å; D726-S729 PolarHBondContact OD2-N 2.7Å; D726-S729 PolarHBondContact OD2-OG 3.39Å
727	P	49.6	Very low	72.5	Confident	112 Å²	112	34.5 Å²	34.5	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.2	178.3	-24.9	35.4	0	0	0	114.7	S729	P727-S729 VanDerWaalsContact C-N 3.33Å
728	S	52.2	Low	72.4	Confident	106 Å²	106	40.4 Å²	40.4	74%	0.741	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.1	178.1	77.2	0	0	0	0	113.3	D726	D726-S728 PolarHBondContact O-N 3.19Å; D726-S728 WeakPolarHBondContact OD1-CA 3.33Å; D726-S728 WeakPolarHBondContact OD1-CB 3.37Å; D726-S728 PolarHBondContact OD1-N 3.22Å; D726-S728 PolarHBondContact OD1-OG 2.97Å; D726-S728 PolarHBondContact OD2-OG 2.62Å
729	S	64.7	Low	72.5	Confident	21 Å²	21	40.6 Å²	40.6	15%	0.147	25%	0.254	C	S	.	.	S	Bend	trans	-82.1	138	178.3	-82	0	0	0	0	112.1	R668 S683 D726 P727	R668-S729 PolarHBondContact NH2-OG 3.01Å; S683-S729 WeakPolarHBondContact CB-O 3.34Å; S683-S729 PolarHBondContact OG-O 3.08Å; D726-S729 PolarHBondContact O-N 2.9Å; D726-S729 WeakPolarHBondContact OD2-CB 3.43Å; D726-S729 PolarHBondContact OD2-N 2.7Å; D726-S729 PolarHBondContact OD2-OG 3.39Å; P727-S729 VanDerWaalsContact C-N 3.33Å
730	P	77.4	Confident	72.8	Confident	21 Å²	21	42.7 Å²	42.7	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	163.1	175.8	30.8	-36.3	0	0	0	112.5	M660 R668 F669 A681	M660-P730 HydrophobicContact SD-CB 3.54Å; M660-P730 VanDerWaalsContact SD-CB 3.54Å; M660-P730 HydrophobicContact SD-CG 3.77Å; R668-P730 HydrophobicContact CG-CG 3.94Å; F669-P730 HydrophobicContact CE2-CB 4.42Å; F669-P730 HydrophobicContact CE2-CG 4.05Å; F669-P730 HydrophobicContact CZ-CB 4.46Å; F669-P730 HydrophobicContact CZ-CG 4.1Å; F669-P730 WeakPolarHBondContact CZ-O 3.42Å; A681-P730 CarbonylContact O-C 3.22Å; A681-P730 WeakPolarHBondContact O-CA 3.4Å; A681-P730 WeakPolarHBondContact O-CB 3.28Å
731	A	80.8	Confident	73.7	Confident	1 Å²	1	46 Å²	46	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	158.9	174.9	0	0	0	0	0	112.4	C680 A681 Y722 Y733	C680-A731 VanDerWaalsContact CA-O 3.3Å; C680-A731 WeakPolarHBondContact CA-O 2.96Å; C680-A731 VanDerWaalsContact CB-O 3.25Å; C680-A731 WeakPolarHBondContact CB-O 3.05Å; A681-A731 PolarHBondContact N-O 2.87Å; A681-A731 PolarHBondContact O-N 2.98Å; Y722-A731 WeakPolarHBondContact O-CB 3.34Å; A731-Y733 HydrophobicContact CB-CE2 3.89Å; A731-Y733 WeakPolarHBondContact O-CD2 3.01Å; A731-Y733 WeakPolarHBondContact O-CE2 3.45Å
732	L	86	Confident	75.3	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.4	173.7	-79.3	170.7	0	0	0	111.7	F669 F673 C680 A719 Y722	F669-L732 HydrophobicContact CB-CD1 4.26Å; F669-L732 HydrophobicContact CB-CD2 4.49Å; F669-L732 HydrophobicContact CD1-CD1 3.64Å; F669-L732 HydrophobicContact CD1-CD2 4.41Å; F669-L732 HydrophobicContact CD1-CG 3.81Å; F669-L732 HydrophobicContact CD2-CD1 4.49Å; F669-L732 HydrophobicContact CD2-CD2 3.82Å; F669-L732 HydrophobicContact CD2-CG 4.02Å; F669-L732 HydrophobicContact CE1-CD1 4.04Å; F669-L732 HydrophobicContact CE1-CG 3.81Å; F669-L732 HydrophobicContact CE2-CD2 4.09Å; F669-L732 HydrophobicContact CE2-CG 4.03Å; F669-L732 HydrophobicContact CG-CD1 3.88Å; F669-L732 HydrophobicContact CG-CD2 3.99Å; F669-L732 HydrophobicContact CG-CG 3.91Å; F669-L732 HydrophobicContact CZ-CD2 4.48Å; F669-L732 HydrophobicContact CZ-CG 3.91Å; F673-L732 HydrophobicContact CB-CD2 4.34Å; F673-L732 HydrophobicContact CD2-CD2 3.97Å; C680-L732 HydrophobicContact CB-CD2 4.16Å; A719-L732 WeakPolarHBondContact CB-O 3.49Å; A719-L732 PolarHBondContact N-O 2.87Å; A719-L732 VanDerWaalsContact N-O 3.08Å; Y722-L732 HydrophobicContact CD1-CD1 4.31Å; Y722-L732 HydrophobicContact CD2-CD1 3.84Å; Y722-L732 HydrophobicContact CE2-CD1 4.27Å; Y722-L732 HydrophobicContact CG-CD1 3.86Å; Y722-L732 PolarHBondContact O-N 2.03Å
733	Y	88.9	Confident	76.8	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	178.5	-58	-106.1	0	0	0	109.7	V640 T678 L679 A681 G682 L703 V717 V718 A731	V640-Y733 HydrophobicContact CB-CE1 4.41Å; V640-Y733 HydrophobicContact CG2-CE1 3.88Å; T678-Y733 VanDerWaalsContact CA-O 3.29Å; T678-Y733 WeakPolarHBondContact CA-O 3.4Å; T678-Y733 WeakPolarHBondContact CB-O 3.39Å; L679-Y733 HydrophobicContact CD1-CD2 3.99Å; L679-Y733 HydrophobicContact CD1-CG 4Å; L679-Y733 PolarHBondContact N-O 2.7Å; L679-Y733 PolarHBondContact O-N 2.9Å; A681-Y733 HydrophobicContact CB-CD2 4.24Å; A681-Y733 HydrophobicContact CB-CE2 3.68Å; G682-Y733 PolarHBondContact O-OH 2.73Å; L703-Y733 HydrophobicContact CB-CD1 3.69Å; L703-Y733 HydrophobicContact CB-CE1 3.74Å; L703-Y733 HydrophobicContact CD1-CE1 4.39Å; L703-Y733 HydrophobicContact CD2-CD1 4.15Å; L703-Y733 HydrophobicContact CD2-CD2 4.45Å; L703-Y733 HydrophobicContact CD2-CE1 4.31Å; L703-Y733 HydrophobicContact CD2-CG 4.22Å; L703-Y733 HydrophobicContact CG-CD1 4.47Å; L703-Y733 HydrophobicContact CG-CE1 4.38Å; V717-Y733 CarbonylContact O-C 3.57Å; V717-Y733 WeakPolarHBondContact O-CA 3.37Å; V718-Y733 HydrophobicContact CB-CD1 4.39Å; V718-Y733 HydrophobicContact CB-CE1 4.4Å; V718-Y733 HydrophobicContact CG2-CD1 3.87Å; V718-Y733 HydrophobicContact CG2-CE1 3.48Å; V718-Y733 VanDerWaalsContact CG2-CE1 3.48Å; A731-Y733 HydrophobicContact CB-CE2 3.89Å; A731-Y733 WeakPolarHBondContact O-CD2 3.01Å; A731-Y733 WeakPolarHBondContact O-CE2 3.45Å
734	T	90.6	Very high	78.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.4	172.8	-54	0	0	0	0	109.7	G597 L600 G716 V717 V736 F739	G597-T734 WeakPolarHBondContact O-CG2 2.97Å; L600-T734 HydrophobicContact CD1-CG2 3.3Å; G716-T734 VanDerWaalsContact CA-O 3.32Å; G716-T734 WeakPolarHBondContact CA-O 3Å; V717-T734 PolarHBondContact N-O 2.66Å; V717-T734 VanDerWaalsContact N-O 3.07Å; V717-T734 PolarHBondContact O-N 2.91Å; T734-V736 PolarHBondContact O-N 2.45Å; T734-F739 HydrophobicContact CG2-CD2 4.01Å; T734-F739 HydrophobicContact CG2-CE2 3.54Å; T734-F739 HydrophobicContact CG2-CZ 4.42Å
735	R	90.8	Very high	80	Confident	31 Å²	31	45 Å²	45	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	107.1	-170.9	179.5	-173.8	-63.6	-78.8	-3.5	111.2	S675 G677 T678 L679 S737 R738 F739	S675-R735 PolarHBondContact O-NE 2.76Å; S675-R735 VanDerWaalsContact O-NE 3.15Å; S675-R735 PolarHBondContact O-NH2 3.25Å; G677-R735 WeakPolarHBondContact O-CB 3.5Å; G677-R735 PolarHBondContact O-N 2.9Å; T678-R735 PolarHBondContact O-NE 2.83Å; T678-R735 PolarHBondContact O-NH2 3.25Å; L679-R735 HydrophobicContact CD2-CB 4.41Å; L679-R735 HydrophobicContact CD2-CG 4.45Å; R735-S737 VanDerWaalsContact C-N 3.34Å; R735-S737 PolarHBondContact O-N 3.1Å; R735-R738 HydrophobicContact CB-CB 4.5Å; R735-R738 HydrophobicContact CG-CB 4.45Å; R735-R738 WeakPolarHBondContact O-CB 3.31Å; R735-R738 PolarHBondContact O-N 3.03Å; R735-R738 VanDerWaalsContact O-N 3.12Å; R735-F739 WeakPolarHBondContact O-CD2 3.1Å
736	V	91.7	Very high	81.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-37.7	-173.3	179.6	0	0	0	0	112.5	L553 L624 P625 V714 A715 V717 T734 R738 F739 R740 I743	L553-V736 HydrophobicContact CD2-CG1 4.16Å; L553-V736 HydrophobicContact CD2-CG2 4.03Å; L624-V736 HydrophobicContact CD2-CG1 4.06Å; P625-V736 HydrophobicContact CG-CB 4.05Å; P625-V736 HydrophobicContact CG-CG1 3.83Å; V714-V736 HydrophobicContact CG1-CG2 4.05Å; V714-V736 WeakPolarHBondContact O-CB 3.11Å; A715-V736 PolarHBondContact O-N 3.32Å; A715-V736 VanDerWaalsContact O-N 3.09Å; V717-V736 HydrophobicContact CG2-CG2 3.84Å; T734-V736 PolarHBondContact O-N 2.45Å; V736-R738 PolarHBondContact O-N 2.57Å; V736-R738 VanDerWaalsContact O-N 3.1Å; V736-F739 PolarHBondContact O-N 2.36Å; V736-R740 PolarHBondContact O-N 3.04Å; V736-I743 HydrophobicContact CG1-CD1 3.75Å
737	S	88.3	Confident	83.3	Confident	13 Å²	13	38.7 Å²	38.7	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-22.5	178.7	67.1	0	0	0	0	114	R735	R735-S737 VanDerWaalsContact C-N 3.34Å; R735-S737 PolarHBondContact O-N 3.1Å
738	R	88.3	Confident	84.8	Confident	127 Å²	127	35.5 Å²	35.5	48%	0.479	19%	0.186	S	C	.	.	H	α-helix	trans	-72.5	-30.2	173.4	-179.5	61.8	-167.9	96.3	-15.1	112.7	H676 R735 V736	H676-R738 WeakPolarHBondContact O-CB 3.25Å; H676-R738 WeakPolarHBondContact O-CD 3.13Å; H676-R738 WeakPolarHBondContact O-CG 3.4Å; R735-R738 HydrophobicContact CB-CB 4.5Å; R735-R738 HydrophobicContact CG-CB 4.45Å; R735-R738 WeakPolarHBondContact O-CB 3.31Å; R735-R738 PolarHBondContact O-N 3.03Å; R735-R738 VanDerWaalsContact O-N 3.12Å; V736-R738 PolarHBondContact O-N 2.57Å; V736-R738 VanDerWaalsContact O-N 3.1Å
739	F	90.1	Very high	86	Confident	12 Å²	12	34 Å²	34	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-100.5	2.5	-174.6	-69.1	-77.7	0	0	0	113.5	H588 G597 H598 L600 T734 R735 V736 S741 W742 I743	H588-F739 AromaticContact CD2-CD1 3.8Å; H588-F739 AromaticContact CD2-CE1 3.97Å; H588-F739 AromaticContact NE2-CD1 3.79Å; H588-F739 AromaticContact NE2-CE1 3.7Å; G597-F739 VanDerWaalsContact O-CE2 3.3Å; G597-F739 WeakPolarHBondContact O-CE2 3.44Å; G597-F739 WeakPolarHBondContact O-CZ 3.5Å; H598-F739 HydrophobicContact CB-CZ 4.27Å; H598-F739 AromaticContact CD2-CE1 3.59Å; H598-F739 AromaticContact CD2-CZ 3.68Å; H598-F739 AromaticContact CG-CZ 3.89Å; L600-F739 HydrophobicContact CD1-CD2 4.26Å; L600-F739 HydrophobicContact CD2-CB 3.63Å; L600-F739 HydrophobicContact CD2-CD2 4.16Å; L600-F739 HydrophobicContact CD2-CG 3.9Å; T734-F739 HydrophobicContact CG2-CD2 4.01Å; T734-F739 HydrophobicContact CG2-CE2 3.54Å; T734-F739 HydrophobicContact CG2-CZ 4.42Å; R735-F739 WeakPolarHBondContact O-CD2 3.1Å; V736-F739 PolarHBondContact O-N 2.36Å; F739-S741 VanDerWaalsContact C-N 3.33Å; F739-S741 PolarHBondContact O-N 3.46Å; F739-W742 WeakPolarHBondContact O-CA 3.43Å; F739-W742 WeakPolarHBondContact O-CB 3.46Å; F739-W742 PolarHBondContact O-N 2.85Å; F739-I743 PolarHBondContact O-N 3.38Å
740	R	89.8	Confident	86	Confident	58 Å²	58	34.1 Å²	34.1	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-48.3	-51.1	-173.9	-178.5	57.8	-158.5	-115.6	14.5	113.1	L624 P625 A627 V736 W742 I743 D744	L624-R740 VanDerWaalsContact CB-NH1 3.34Å; L624-R740 PolarHBondContact O-NH1 3.31Å; L624-R740 VanDerWaalsContact O-NH1 3.1Å; P625-R740 WeakPolarHBondContact O-CD 3.41Å; P625-R740 PolarHBondContact O-NH1 2.89Å; A627-R740 HydrophobicContact CB-CB 4.18Å; A627-R740 HydrophobicContact CB-CG 3.83Å; V736-R740 PolarHBondContact O-N 3.04Å; R740-W742 VanDerWaalsContact C-N 3.26Å; R740-W742 PolarHBondContact O-N 3.31Å; R740-I743 WeakPolarHBondContact O-CB 3.32Å; R740-I743 PolarHBondContact O-N 3.34Å; R740-D744 WeakPolarHBondContact CG-OD2 3.38Å; R740-D744 IonicContact CZ-OD1 3.94Å; R740-D744 VanDerWaalsContact CZ-OD1 3.29Å; R740-D744 IonicContact CZ-OD2 2.99Å; R740-D744 VanDerWaalsContact NE-CG 3.26Å; R740-D744 IonicContact NE-OD1 3.44Å; R740-D744 PolarHBondContact NE-OD1 2.79Å; R740-D744 IonicContact NE-OD2 3.48Å; R740-D744 PolarHBondContact NE-OD2 3.1Å; R740-D744 IonicContact NH2-OD1 2.86Å; R740-D744 PolarHBondContact NH2-OD1 2.94Å; R740-D744 IonicContact NH2-OD2 2.62Å; R740-D744 VanDerWaalsContact O-CG 3.3Å; R740-D744 PolarHBondContact O-N 3.21Å
741	S	88.2	Confident	85.4	Confident	74 Å²	74	38.8 Å²	38.8	52%	0.517	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-27.3	178.3	-46.5	0	0	0	0	114.9	F739 E745	F739-S741 VanDerWaalsContact C-N 3.33Å; F739-S741 PolarHBondContact O-N 3.46Å; S741-E745 WeakPolarHBondContact O-CB 3.16Å; S741-E745 PolarHBondContact O-N 3.03Å
742	W	91.5	Very high	84.6	Confident	26 Å²	26	45.6 Å²	45.6	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-79.2	-37.3	173.8	170.1	74.9	0	0	0	111.7	V586 H588 L600 M602 F739 R740 D744 E745 V746	V586-W742 HydrophobicContact CG1-CZ2 4.13Å; H588-W742 HydrophobicContact CB-CH2 4.06Å; H588-W742 HydrophobicContact CB-CZ2 3.91Å; H588-W742 AromaticContact CD2-CD1 3.99Å; H588-W742 AromaticContact CD2-CD2 3.51Å; H588-W742 AromaticContact CD2-CE2 3.66Å; H588-W742 AromaticContact CD2-CE3 3.95Å; H588-W742 AromaticContact CD2-CG 3.7Å; H588-W742 AromaticContact CD2-NE1 3.95Å; L600-W742 HydrophobicContact CB-CH2 4.4Å; L600-W742 HydrophobicContact CB-CZ3 3.92Å; L600-W742 HydrophobicContact CD2-CE3 4.32Å; L600-W742 HydrophobicContact CD2-CZ3 4Å; M602-W742 HydrophobicContact CG-CH2 3.96Å; M602-W742 HydrophobicContact CG-CZ3 4.02Å; M602-W742 HydrophobicContact SD-CH2 4.25Å; M602-W742 HydrophobicContact SD-CZ3 4.03Å; F739-W742 WeakPolarHBondContact O-CA 3.43Å; F739-W742 WeakPolarHBondContact O-CB 3.46Å; F739-W742 PolarHBondContact O-N 2.85Å; R740-W742 VanDerWaalsContact C-N 3.26Å; R740-W742 PolarHBondContact O-N 3.31Å; W742-D744 VanDerWaalsContact C-N 3.34Å; W742-E745 WeakPolarHBondContact O-CB 3.41Å; W742-E745 PolarHBondContact O-N 3.41Å; W742-V746 HydrophobicContact CD2-CG2 4.3Å; W742-V746 HydrophobicContact CZ2-CG2 4.02Å; W742-V746 WeakPolarHBondContact O-CG2 3.19Å; W742-V746 PolarHBondContact O-N 3Å
743	I	91.5	Very high	83.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-46.1	173.5	-61.1	171.9	0	0	0	109.4	L553 L600 M602 L624 V736 F739 R740 V746 I747	L553-I743 HydrophobicContact CD1-CD1 4.25Å; L553-I743 HydrophobicContact CD2-CD1 4.33Å; L600-I743 HydrophobicContact CD2-CD1 4.14Å; L600-I743 HydrophobicContact CD2-CG1 4.47Å; M602-I743 HydrophobicContact CE-CG2 3.92Å; M602-I743 HydrophobicContact SD-CB 4.21Å; M602-I743 HydrophobicContact SD-CG1 4.18Å; M602-I743 HydrophobicContact SD-CG2 3.9Å; L624-I743 HydrophobicContact CD1-CG2 3.55Å; L624-I743 HydrophobicContact CD2-CD1 3.99Å; L624-I743 HydrophobicContact CD2-CG2 4.13Å; V736-I743 HydrophobicContact CG1-CD1 3.75Å; F739-I743 PolarHBondContact O-N 3.38Å; R740-I743 WeakPolarHBondContact O-CB 3.32Å; R740-I743 PolarHBondContact O-N 3.34Å; I743-V746 PolarHBondContact O-N 3.24Å; I743-I747 HydrophobicContact CG2-CD1 3.9Å; I743-I747 VanDerWaalsContact O-CG1 3.31Å; I743-I747 WeakPolarHBondContact O-CG1 3.08Å; I743-I747 PolarHBondContact O-N 3.38Å
744	D	88.8	Confident	82	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-42.1	174.7	-58	-46.6	0	0	0	111.5	R740 W742 V746 I747 D748	R740-D744 WeakPolarHBondContact CG-OD2 3.38Å; R740-D744 IonicContact CZ-OD1 3.94Å; R740-D744 VanDerWaalsContact CZ-OD1 3.29Å; R740-D744 IonicContact CZ-OD2 2.99Å; R740-D744 VanDerWaalsContact NE-CG 3.26Å; R740-D744 IonicContact NE-OD1 3.44Å; R740-D744 PolarHBondContact NE-OD1 2.79Å; R740-D744 IonicContact NE-OD2 3.48Å; R740-D744 PolarHBondContact NE-OD2 3.1Å; R740-D744 IonicContact NH2-OD1 2.86Å; R740-D744 PolarHBondContact NH2-OD1 2.94Å; R740-D744 IonicContact NH2-OD2 2.62Å; R740-D744 VanDerWaalsContact O-CG 3.3Å; R740-D744 PolarHBondContact O-N 3.21Å; W742-D744 VanDerWaalsContact C-N 3.34Å; D744-V746 PolarHBondContact O-N 2.99Å; D744-I747 PolarHBondContact O-N 2.91Å; D744-D748 WeakPolarHBondContact O-CB 3.47Å; D744-D748 PolarHBondContact O-N 3.31Å
745	E	87.8	Confident	80.4	Confident	92 Å²	92	58.5 Å²	58.5	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-56.6	-45.2	173.9	-176.5	-167.9	159.6	0	0	111.8	R589 S741 W742 T749	R589-E745 IonicContact NH2-OE1 3.75Å; S741-E745 WeakPolarHBondContact O-CB 3.16Å; S741-E745 PolarHBondContact O-N 3.03Å; W742-E745 WeakPolarHBondContact O-CB 3.41Å; W742-E745 PolarHBondContact O-N 3.41Å; E745-T749 WeakPolarHBondContact O-CB 3.38Å; E745-T749 PolarHBondContact O-N 2.83Å; E745-T749 PolarHBondContact O-OG1 3.29Å
746	V	87.4	Confident	78.6	Confident	18 Å²	18	62.5 Å²	62.5	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-43.6	-178.9	169.5	0	0	0	0	111.7	W551 V586 M602 W742 I743 D744	W551-V746 HydrophobicContact CE3-CG1 4.27Å; W551-V746 HydrophobicContact CH2-CG1 3.4Å; W551-V746 HydrophobicContact CZ2-CG1 3.8Å; W551-V746 HydrophobicContact CZ3-CG1 3.66Å; V586-V746 HydrophobicContact CB-CG1 4.35Å; V586-V746 HydrophobicContact CG1-CG1 4.28Å; V586-V746 HydrophobicContact CG1-CG2 3.93Å; V586-V746 HydrophobicContact CG2-CG1 4.26Å; M602-V746 HydrophobicContact CB-CG1 4.42Å; M602-V746 HydrophobicContact CE-CB 4.49Å; M602-V746 HydrophobicContact CE-CG1 4.07Å; M602-V746 HydrophobicContact SD-CB 3.94Å; M602-V746 HydrophobicContact SD-CG1 3.8Å; M602-V746 HydrophobicContact SD-CG2 4.46Å; W742-V746 HydrophobicContact CD2-CG2 4.3Å; W742-V746 HydrophobicContact CZ2-CG2 4.02Å; W742-V746 WeakPolarHBondContact O-CG2 3.19Å; W742-V746 PolarHBondContact O-N 3Å; I743-V746 PolarHBondContact O-N 3.24Å; D744-V746 PolarHBondContact O-N 2.99Å
747	I	86.1	Confident	76.7	Confident	41 Å²	41	72.3 Å²	72.3	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-52	177.8	-64.8	168.1	0	0	0	110.3	W551 M602 L624 I743 D744 H750 R751	W551-I747 HydrophobicContact CG-CG1 4.13Å; M602-I747 HydrophobicContact CE-CD1 4.25Å; M602-I747 HydrophobicContact CE-CG1 3.89Å; L624-I747 HydrophobicContact CD1-CD1 4.36Å; I743-I747 HydrophobicContact CG2-CD1 3.9Å; I743-I747 VanDerWaalsContact O-CG1 3.31Å; I743-I747 WeakPolarHBondContact O-CG1 3.08Å; I743-I747 PolarHBondContact O-N 3.38Å; D744-I747 PolarHBondContact O-N 2.91Å; I747-H750 PolarHBondContact O-N 3.03Å; I747-R751 PolarHBondContact O-N 2.87Å; I747-R751 VanDerWaalsContact O-N 3.09Å
748	D	80.5	Confident	74.4	Confident	44 Å²	44	74.8 Å²	74.8	24%	0.235	36%	0.36	C	S	.	.	H	α-helix	trans	-79.1	-25.5	-168.4	-160.2	58.2	0	0	0	113.1	D744 H750 R751 R752	D744-D748 WeakPolarHBondContact O-CB 3.47Å; D744-D748 PolarHBondContact O-N 3.31Å; D748-H750 VanDerWaalsContact C-N 3.31Å; D748-R751 IonicContact OD1-CZ 3.51Å; D748-R751 IonicContact OD1-NE 2.79Å; D748-R751 PolarHBondContact OD1-NE 3.09Å; D748-R751 IonicContact OD1-NH2 3.47Å; D748-R751 PolarHBondContact OD1-NH2 2.96Å; D748-R751 IonicContact OD2-NH2 3.48Å; D748-R752 WeakPolarHBondContact O-CD 3.26Å; D748-R752 VanDerWaalsContact O-CG 3.29Å; D748-R752 WeakPolarHBondContact O-CG 3.36Å; D748-R752 PolarHBondContact O-N 3.1Å; D748-R752 PolarHBondContact O-NE 3.42Å; D748-R752 IonicContact OD2-CZ 2.65Å; D748-R752 VanDerWaalsContact OD2-CZ 3.3Å; D748-R752 IonicContact OD2-NE 3.43Å; D748-R752 PolarHBondContact OD2-NE 3.08Å; D748-R752 VanDerWaalsContact OD2-NE 3.11Å; D748-R752 IonicContact OD2-NH2 3.42Å; D748-R752 PolarHBondContact OD2-NH2 2.85Å
749	T	76.4	Confident	72.2	Confident	74 Å²	74	74.5 Å²	74.5	45%	0.454	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-39.6	166.7	-61.2	0	0	0	0	110.9	E745 L753	E745-T749 WeakPolarHBondContact O-CB 3.38Å; E745-T749 PolarHBondContact O-N 2.83Å; E745-T749 PolarHBondContact O-OG1 3.29Å; T749-L753 WeakPolarHBondContact O-CG 3.37Å; T749-L753 PolarHBondContact O-N 3.49Å
750	H	66	Low	69.8	Low	25 Å²	25	79.3 Å²	79.3	12%	0.116	42%	0.417	C	S	.	.	H	α-helix	trans	-73.9	-39.6	-179.5	-150.2	107.6	0	0	0	112.1	W551 Q584 R604 I747 D748 R752 L753 E754	W551-H750 HydrophobicContact CZ2-CB 3.94Å; Q584-H750 PolarHBondContact OE1-ND1 2.85Å; Q584-H750 VanDerWaalsContact OE1-ND1 3.17Å; R604-H750 PolarHBondContact NE-CD2 2.87Å; R604-H750 VanDerWaalsContact NE-CD2 3.34Å; R604-H750 PolarHBondContact NE-NE2 2.61Å; R604-H750 PolarHBondContact NH1-NE2 3.23Å; R604-H750 PolarHBondContact NH2-NE2 3.41Å; I747-H750 PolarHBondContact O-N 3.03Å; D748-H750 VanDerWaalsContact C-N 3.31Å; H750-R752 PolarHBondContact O-N 3.17Å; H750-L753 WeakPolarHBondContact O-CA 3.21Å; H750-L753 WeakPolarHBondContact O-CB 3.37Å; H750-L753 PolarHBondContact O-N 3.43Å; H750-E754 IonicContact CD2-OE1 2.68Å; H750-E754 PolarHBondContact CD2-OE1 2.99Å; H750-E754 IonicContact NE2-OE1 3.18Å; H750-E754 PolarHBondContact O-N 3.36Å
751	R	65.1	Low	67.2	Low	119 Å²	119	80.7 Å²	80.7	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-52.7	-41.5	174	-172.6	176.2	63	91.5	-6.7	112.2	I747 D748 L753 E754 E755	I747-R751 PolarHBondContact O-N 2.87Å; I747-R751 VanDerWaalsContact O-N 3.09Å; D748-R751 IonicContact OD1-CZ 3.51Å; D748-R751 IonicContact OD1-NE 2.79Å; D748-R751 PolarHBondContact OD1-NE 3.09Å; D748-R751 IonicContact OD1-NH2 3.47Å; D748-R751 PolarHBondContact OD1-NH2 2.96Å; D748-R751 IonicContact OD2-NH2 3.48Å; R751-L753 VanDerWaalsContact C-N 3.34Å; R751-L753 PolarHBondContact O-N 2.83Å; R751-E754 PolarHBondContact O-N 3.4Å; R751-E755 IonicContact CZ-OE1 3.68Å; R751-E755 IonicContact NH1-OE1 2.74Å; R751-E755 PolarHBondContact NH1-OE1 2.81Å; R751-E755 IonicContact NH1-OE2 3.8Å; R751-E755 WeakPolarHBondContact O-CB 3.32Å; R751-E755 WeakPolarHBondContact O-CG 3.46Å; R751-E755 PolarHBondContact O-N 3.12Å
752	R	62.4	Low	64.7	Low	144 Å²	144	83.2 Å²	83.2	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-68.3	-28.2	176.3	-62.9	164.6	-163.8	-126.8	7	113.3	D748 H750 T756	D748-R752 WeakPolarHBondContact O-CD 3.26Å; D748-R752 VanDerWaalsContact O-CG 3.29Å; D748-R752 WeakPolarHBondContact O-CG 3.36Å; D748-R752 PolarHBondContact O-N 3.1Å; D748-R752 PolarHBondContact O-NE 3.42Å; D748-R752 IonicContact OD2-CZ 2.65Å; D748-R752 VanDerWaalsContact OD2-CZ 3.3Å; D748-R752 IonicContact OD2-NE 3.43Å; D748-R752 PolarHBondContact OD2-NE 3.08Å; D748-R752 VanDerWaalsContact OD2-NE 3.11Å; D748-R752 IonicContact OD2-NH2 3.42Å; D748-R752 PolarHBondContact OD2-NH2 2.85Å; H750-R752 PolarHBondContact O-N 3.17Å; R752-T756 WeakPolarHBondContact O-CB 3.49Å; R752-T756 WeakPolarHBondContact O-CG2 3.49Å; R752-T756 PolarHBondContact O-N 3.29Å; R752-T756 PolarHBondContact O-OG1 2.92Å
753	L	61.2	Low	61.9	Low	92 Å²	92	93.8 Å²	93.8	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-77.7	-25.5	174.2	-68.5	169.4	0	0	0	112.7	T749 H750 R751 T756 R757	T749-L753 WeakPolarHBondContact O-CG 3.37Å; T749-L753 PolarHBondContact O-N 3.49Å; H750-L753 WeakPolarHBondContact O-CA 3.21Å; H750-L753 WeakPolarHBondContact O-CB 3.37Å; H750-L753 PolarHBondContact O-N 3.43Å; R751-L753 VanDerWaalsContact C-N 3.34Å; R751-L753 PolarHBondContact O-N 2.83Å; L753-T756 WeakPolarHBondContact CA-OG1 3.42Å; L753-T756 PolarHBondContact O-OG1 2.76Å; L753-R757 WeakPolarHBondContact O-CB 3.47Å; L753-R757 WeakPolarHBondContact O-CD 3.2Å; L753-R757 WeakPolarHBondContact O-CG 3.44Å; L753-R757 PolarHBondContact O-N 2.74Å
754	E	60.2	Low	59.1	Low	74 Å²	74	101 Å²	101	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-78.2	-46.4	170.4	-73.3	167.6	-175.6	0	0	111	R604 H750 R751 T756 R757 A758	R604-E754 IonicContact CZ-OE1 2.67Å; R604-E754 IonicContact NE-OE1 3.16Å; R604-E754 PolarHBondContact NE-OE1 2.94Å; R604-E754 IonicContact NH2-OE1 2.82Å; R604-E754 PolarHBondContact NH2-OE1 3.46Å; H750-E754 IonicContact CD2-OE1 2.68Å; H750-E754 PolarHBondContact CD2-OE1 2.99Å; H750-E754 IonicContact NE2-OE1 3.18Å; H750-E754 PolarHBondContact O-N 3.36Å; R751-E754 PolarHBondContact O-N 3.4Å; E754-T756 PolarHBondContact O-N 3.41Å; E754-R757 CarbonylContact O-C 3.52Å; E754-R757 WeakPolarHBondContact O-CA 3.14Å; E754-R757 PolarHBondContact O-N 3.19Å; E754-A758 PolarHBondContact O-N 2.88Å
755	E	57.4	Low	56.4	Low	110 Å²	110	107.7 Å²	107.7	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-58.4	-32.4	175.6	-74.3	169.9	-178.3	0	0	113	R751	R751-E755 IonicContact CZ-OE1 3.68Å; R751-E755 IonicContact NH1-OE1 2.74Å; R751-E755 PolarHBondContact NH1-OE1 2.81Å; R751-E755 IonicContact NH1-OE2 3.8Å; R751-E755 WeakPolarHBondContact O-CB 3.32Å; R751-E755 WeakPolarHBondContact O-CG 3.46Å; R751-E755 PolarHBondContact O-N 3.12Å
756	T	52.8	Low	53.6	Low	114 Å²	114	109.1 Å²	109.1	70%	0.699	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-5.9	174.7	49.6	0	0	0	0	114.4	R752 L753 E754	R752-T756 WeakPolarHBondContact O-CB 3.49Å; R752-T756 WeakPolarHBondContact O-CG2 3.49Å; R752-T756 PolarHBondContact O-N 3.29Å; R752-T756 PolarHBondContact O-OG1 2.92Å; L753-T756 WeakPolarHBondContact CA-OG1 3.42Å; L753-T756 PolarHBondContact O-OG1 2.76Å; E754-T756 PolarHBondContact O-N 3.41Å
757	R	50.7	Low	50.7	Low	206 Å²	206	114.6 Å²	114.6	78%	0.777	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-15.6	172.2	-85.1	176.4	152.8	-173.4	-7.5	113.7	L753 E754	L753-R757 WeakPolarHBondContact O-CB 3.47Å; L753-R757 WeakPolarHBondContact O-CD 3.2Å; L753-R757 WeakPolarHBondContact O-CG 3.44Å; L753-R757 PolarHBondContact O-N 2.74Å; E754-R757 CarbonylContact O-C 3.52Å; E754-R757 WeakPolarHBondContact O-CA 3.14Å; E754-R757 PolarHBondContact O-N 3.19Å
758	A	40.8	Very low	48.1	Very low	65 Å²	65	120.2 Å²	120.2	54%	0.537	63%	0.634	S	S	.	*	S	Bend	trans	-65.3	127.1	179	0	0	0	0	0	111.6	E754	E754-A758 PolarHBondContact O-N 2.88Å
759	P	41.5	Very low	45.5	Very low	122 Å²	122	124.7 Å²	124.7	79%	0.792	66%	0.663	S	S	*	*			trans	-69.8	133.5	179.3	27.9	-33.8	0	0	0	111.4	A761	P759-A761 PolarHBondContact O-N 3.18Å
760	A	40.8	Very low	43.3	Very low	113 Å²	113	126.9 Å²	126.9	93%	0.934	67%	0.672	S	S	*	*			trans	-72.2	97.9	-172.7	0	0	0	0	0	113.1
761	A	34.7	Very low	41.4	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	71%	0.708	S	S	*	*			trans	-105.1	114.5	176.2	0	0	0	0	0	112.6	P759	P759-A761 PolarHBondContact O-N 3.18Å
762	T	35.6	Very low	39.7	Very low	128 Å²	128	135 Å²	135	79%	0.785	73%	0.725	S	S	*	*			trans	42.8	88.8	156.6	51.8	0	0	0	0	118.5
763	R	32.8	Very low	38.1	Very low	248 Å²	248	134.7 Å²	134.7	94%	0.936	73%	0.733	S	S	*	*			trans	-92.8	90.9	168	-165.1	-178.2	-164.6	-179.6	5.9	110.8
764	N	31.3	Very low	36.4	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-72.6	137.6	178.5	-82.4	-9.4	0	0	0	112.6
765	K	32.3	Very low	35	Very low	195 Å²	195	139.3 Å²	139.3	85%	0.848	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-84.6	140.8	171.5	-84.7	-174.5	171.9	-174.8	0	111.6
766	P	29.8	Very low	33.6	Very low	123 Å²	123	140 Å²	140	80%	0.799	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-80.3	156.5	143.4	-9.4	28	0	0	0	110.9
767	T	27.1	Very low	32.4	Very low	133 Å²	133	140.8 Å²	140.8	82%	0.816	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-103.3	159.4	179.8	44	0	0	0	0	112.7
768	H	30.4	Very low	31.3	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.736	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.4	148.2	166.9	-91.8	-112.5	0	0	0	112	D770	H768-D770 IonicContact CE1-OD1 2.71Å; H768-D770 IonicContact ND1-OD1 3.86Å; H768-D770 PolarHBondContact ND1-OD1 3.49Å
769	T	27	Very low	30.5	Very low	138 Å²	138	142.5 Å²	142.5	85%	0.847	78%	0.775	S	S	*	*			trans	-144.3	133.6	136.3	45.3	0	0	0	0	106.6
770	D	28.5	Very low	29.9	Very low	120 Å²	120	141.5 Å²	141.5	64%	0.642	76%	0.763	S	S	*	*			trans	-95.6	165.8	-176.3	-46.2	-67.3	0	0	0	111.3	H768	H768-D770 IonicContact CE1-OD1 2.71Å; H768-D770 IonicContact ND1-OD1 3.86Å; H768-D770 PolarHBondContact ND1-OD1 3.49Å
771	D	27.7	Very low	29.3	Very low	163 Å²	163	141.8 Å²	141.8	87%	0.872	75%	0.754	S	S	*	*			trans	174.4	80.9	140.3	-89.4	-13	0	0	0	113
772	D	28.7	Very low	29	Very low	150 Å²	150	145.1 Å²	145.1	80%	0.802	76%	0.755	S	S	*	*				61.8	166.5	124.4	-149.1	19.5	0	0	0	125.3
773	I	28	Very low	28.6	Very low	138 Å²	138	147.5 Å²	147.5	71%	0.708	76%	0.757	S	S	*	*			trans	90.2	69.7	164.2	-43.7	-170.8	0	0	0	118.5
774	S	27.1	Very low	28.4	Very low	82 Å²	82	142.1 Å²	142.1	57%	0.573	74%	0.742	S	S	*	*				30.8	136.7	125.8	68	0	0	0	0	123.2
775	H	29	Very low	28.2	Very low	181 Å²	181	142.5 Å²	142.5	84%	0.838	74%	0.743	S	S	*	*				-160.4	148.5	103.4	-107.6	-59.4	0	0	0	113.7
776	D	29	Very low	28	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	73%	0.73	S	S	*	*			trans	-70.8	171.3	-177.3	-52.9	-94.6	0	0	0	114.1
777	V	27.2	Very low	27.9	Very low	130 Å²	130	141.2 Å²	141.2	79%	0.788	73%	0.727	S	S	*	*				-158.2	123.9	64.1	164.1	0	0	0	0	108.5
778	H	27.5	Very low	28	Very low	145 Å²	145	142.4 Å²	142.4	67%	0.671	72%	0.721	S	S	*	*				60	143.2	93.7	-107.6	67.2	0	0	0	114.6
779	F	25.6	Very low	27.9	Very low	162 Å²	162	143.1 Å²	143.1	71%	0.711	73%	0.725	S	S	*	*			cis	-173.7	161.1	-7	-134.8	-143.8	0	0	0	107
780	D	28.1	Very low	27.9	Very low	101 Å²	101	141.4 Å²	141.4	54%	0.54	71%	0.714	S	S	.	*			cis	-139.9	-128.6	-7	-170.8	22.5	0	0	0	108.2
781	T	27.8	Very low	27.9	Very low	120 Å²	120	143.9 Å²	143.9	74%	0.736	72%	0.721	S	S	*	*			cis	-155.9	159	2.6	-35.4	0	0	0	0	111.9
782	H	29.5	Very low	27.9	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	71%	0.712	S	S	*	*			trans	-74.4	-178.3	173.8	-68.7	-88.4	0	0	0	114.4
783	Q	27.2	Very low	28	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	71%	0.711	S	S	*	*			cis	-161.8	166.7	20.6	-151.9	157.7	24.7	0	0	115
784	E	28.1	Very low	27.9	Very low	136 Å²	136	144.6 Å²	144.6	64%	0.636	72%	0.719	S	S	*	*			trans	-74.5	164.3	166.1	-63	-177	95.9	0	0	113.2	K786	E784-K786 WeakPolarHBondContact OE1-CE 3.03Å; E784-K786 IonicContact OE1-NZ 3.85Å; E784-K786 PolarHBondContact OE1-NZ 3.19Å; E784-K786 IonicContact OE2-NZ 2.88Å
785	L	27.1	Very low	28.1	Very low	158 Å²	158	148.5 Å²	148.5	83%	0.827	73%	0.728	S	S	*	*				-172	-176.1	116.6	-100	164.8	0	0	0	114.6
786	K	26.9	Very low	29	Very low	130 Å²	130	145.2 Å²	145.2	57%	0.565	72%	0.723	S	S	*	*			trans	-131.3	169.7	-151.6	-68.4	163.2	179	132	0	115.3	E784	E784-K786 WeakPolarHBondContact OE1-CE 3.03Å; E784-K786 IonicContact OE1-NZ 3.85Å; E784-K786 PolarHBondContact OE1-NZ 3.19Å; E784-K786 IonicContact OE2-NZ 2.88Å
787	H	29.1	Very low	29.1	Very low	161 Å²	161	144.6 Å²	144.6	75%	0.745	72%	0.719	S	S	*	*			trans	85.9	126.7	158.4	-66.5	-27.3	0	0	0	118.2
788	K	28	Very low	29.1	Very low	158 Å²	158	148.6 Å²	148.6	69%	0.687	73%	0.727	S	S	*	*				68.8	140	79.1	-75.7	-176.4	164.3	-169.4	0	112.8
789	H	29.3	Very low	29.3	Very low	175 Å²	175	149.5 Å²	149.5	81%	0.81	73%	0.729	S	S	*	*			cis	-164.3	171.9	19.8	-129.5	-32.1	0	0	0	113.5
790	T	26.4	Very low	29.4	Very low	101 Å²	101	148.9 Å²	148.9	62%	0.62	73%	0.733	S	S	*	*			trans	61.3	126.3	151	52.5	0	0	0	0	126.1
791	H	29.1	Very low	29.6	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.796	73%	0.734	S	S	*	*				48.2	153.4	127.9	-63.2	-58.1	0	0	0	122.9
792	T	28.3	Very low	29.7	Very low	111 Å²	111	149.5 Å²	149.5	68%	0.681	73%	0.73	S	S	*	*			cis	-161.8	161	11.2	-6	0	0	0	0	114.7
793	H	29.6	Very low	29.8	Very low	167 Å²	167	148.7 Å²	148.7	77%	0.773	73%	0.728	S	S	*	*			trans	78.7	138.3	143.4	-91.1	-60.2	0	0	0	126.5
794	Q	26.8	Very low	29.9	Very low	188 Å²	188	147.6 Å²	147.6	88%	0.879	72%	0.721	S	S	*	*			trans	101.5	153.1	142.5	-82.8	176	-7.9	0	0	122.1
795	Q	30.8	Very low	30	Very low	165 Å²	165	148.3 Å²	148.3	77%	0.771	72%	0.724	S	S	*	*			trans	-125.1	-173.9	-160.5	-121.4	-175.9	-57.7	0	0	108.9	D797	Q795-D797 PolarHBondContact NE2-OD1 3.46Å
796	P	46.9	Very low	30.1	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	71%	0.713	S	S	*	*			cis	-144.4	172.4	27.9	43.1	-22.4	0	0	0	119.4
797	D	31.4	Very low	30.2	Very low	111 Å²	111	147.4 Å²	147.4	59%	0.594	73%	0.725	S	S	*	*			trans	22.8	143.6	144	-60.4	4.7	0	0	0	124.2	Q795	Q795-D797 PolarHBondContact NE2-OD1 3.46Å
798	F	27.8	Very low	30.3	Very low	214 Å²	214	146.9 Å²	146.9	94%	0.939	73%	0.727	S	S	*	*				-154	164	109.8	-120.6	-83.6	0	0	0	112.5
799	K	31.3	Very low	30.5	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.717	73%	0.725	S	S	*	*			trans	-122.7	151.5	-172.6	-65.1	175.5	178.5	173	0	114.1
800	N	28.1	Very low	30.7	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	72%	0.718	S	S	*	*				-167.4	142.7	124.4	-97.1	-32.2	0	0	0	109.6
801	T	31.3	Very low	31.1	Very low	93 Å²	93	142.7 Å²	142.7	57%	0.571	72%	0.719	S	S	*	*			cis	65.8	133.5	38.9	28.2	0	0	0	0	114.8
802	H	31.3	Very low	31.3	Very low	141 Å²	141	141.3 Å²	141.3	65%	0.653	72%	0.717	S	S	*	*			cis	-149.2	151.5	20.1	-100.3	-58.4	0	0	0	111.3
803	M	30.8	Very low	31.6	Very low	138 Å²	138	144 Å²	144	68%	0.68	72%	0.719	S	S	*	*				54.1	149.1	97.2	-59.6	-173.6	-15.2	0	0	117.4
804	F	29.5	Very low	31.9	Very low	154 Å²	154	143 Å²	143	68%	0.675	72%	0.715	S	S	*	*			cis	-169.6	158.8	-10.2	-118.2	-51.2	0	0	0	110.5
805	H	29.8	Very low	32.6	Very low	151 Å²	151	140.1 Å²	140.1	70%	0.699	70%	0.703	S	S	*	*			trans	60.4	163.2	150	-75.5	-58.7	0	0	0	119.7
806	T	28.8	Very low	33.5	Very low	97 Å²	97	139.9 Å²	139.9	60%	0.595	70%	0.702	S	S	*	*			cis	-154.3	162.4	-1.9	-0.7	0	0	0	0	111
807	E	30.5	Very low	33.6	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	73%	0.73	S	S	*	*			trans	31.1	151.9	135	-67.9	157.3	-174.7	0	0	122.2
808	D	31	Very low	33.7	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	74%	0.737	S	S	*	*			cis	-161.9	169	2.8	-145.2	-21.5	0	0	0	112.8
809	A	32	Very low	34	Very low	79 Å²	79	143.1 Å²	143.1	65%	0.653	73%	0.726	S	S	*	*			trans	59.3	171.1	159.9	0	0	0	0	0	118
810	D	33.1	Very low	34.2	Very low	121 Å²	121	141.8 Å²	141.8	65%	0.647	73%	0.727	S	S	*	*			cis	-164.7	167.2	-1.7	-133.9	11.6	0	0	0	108.1
811	K	35.1	Very low	34.6	Very low	147 Å²	147	141.4 Å²	141.4	64%	0.639	72%	0.723	S	S	*	*			cis	-165.9	149.9	-10.6	-148.3	175.1	-144.5	73.9	0	110.2
812	N	33.6	Very low	34.8	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	73%	0.732	S	S	*	*			trans	63	159.9	162.2	-74.1	-26.2	0	0	0	117.7
813	K	34.4	Very low	35	Very low	168 Å²	168	144.7 Å²	144.7	73%	0.73	74%	0.737	S	S	*	*			cis	-155.4	175.5	6.3	-133.1	-173.4	177.8	-159.7	0	107.7
814	Q	35.7	Very low	35.3	Very low	144 Å²	144	145.1 Å²	145.1	67%	0.673	74%	0.742	S	S	*	*			cis	-152.7	163	2.1	-166.8	179.5	-92.4	0	0	111
815	M	41.9	Very low	35.7	Very low	129 Å²	129	144.5 Å²	144.5	64%	0.635	75%	0.747	S	S	*	*			trans	-51.5	136.9	163	-66.6	155.9	78.5	0	0	114.7
816	E	49.6	Very low	36.2	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	75%	0.751	S	S	*	*				98.7	121.2	91.2	-79.5	172.4	-177.2	0	0	113.3
817	V	49.2	Very low	36.9	Very low	218 Å²	218	148.2 Å²	148.2	100%	1.321	77%	0.765	S	S	*	*				-138.7	0	93.1	174	0	0	0	0	107.6

Retrieved 817 of 817 residues in 1100.6 ms (Link to these results)

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