A0A060XFT3_ONCMY Loading...

Cilia- and flagella-associated protein 52

Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules (DMTs) in cilia axoneme. Important for proper ciliary and flagellar beating. May act in cooperation with CFAP45 and axonemal dynein subunit DNAH11. May play a role in cell growth and/or survival.

AlphaFold DB , UniProt , Accession A0A060XFT3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cfap52, Length 619 aa.

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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	30.8	Very low	57.7	Low	247 Å²	247	125.1 Å²	125.1	100%	1.217	71%	0.709	S	S	*	*				0	118.5	0	-71.3	174.9	-156.8	0	0	106.1	G3	M1-G3 PolarHBondContact O-N 3.36Å
2	A	35.2	Very low	60.5	Low	118 Å²	118	123.5 Å²	123.5	98%	0.975	69%	0.691	S	S	*	*			trans	-83.1	100.1	171.8	0	0	0	0	0	106.6
3	G	28.6	Very low	62.9	Low	60 Å²	60	115.5 Å²	115.5	62%	0.619	65%	0.645	S	S	*	*			trans	-120.8	119.9	173.4	0	0	0	0	0	108.6	M1	M1-G3 PolarHBondContact O-N 3.36Å
4	D	34	Very low	64.9	Low	160 Å²	160	110.8 Å²	110.8	86%	0.856	62%	0.616	S	S	*	*			trans	53.6	64	149.8	-54.8	-18.9	0	0	0	119
5	A	38.3	Very low	66.7	Low	95 Å²	95	103.9 Å²	103.9	79%	0.785	58%	0.579	S	S	*	*			trans	-100.1	37.6	158.7	0	0	0	0	0	111.7
6	Q	45.3	Very low	68.3	Low	178 Å²	178	97.7 Å²	97.7	83%	0.832	55%	0.545	S	S	*	.	S	Bend	trans	-112.6	-1.7	-170.2	-113.3	-179.5	7	0	0	117.9
7	D	66.6	Low	69.7	Low	161 Å²	161	92.6 Å²	92.6	86%	0.861	52%	0.516	S	S	*	.			trans	-149.5	36.8	175.5	-91.9	-34.4	0	0	0	114.1	P9	D7-P9 VanDerWaalsContact O-CD 3.23Å; D7-P9 WeakPolarHBondContact O-CD 3.42Å
8	I	83.9	Confident	70.7	Confident	72 Å²	72	87.9 Å²	87.9	37%	0.369	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-76	120.1	170.2	-56.7	168.9	0	0	0	108.6	V576 T577 V579	I8-V576 HydrophobicContact CD1-CB 4.21Å; I8-V576 HydrophobicContact CD1-CG1 4.35Å; I8-V576 HydrophobicContact CG2-CG1 4.1Å; I8-T577 WeakPolarHBondContact CG2-O 3.24Å; I8-V579 HydrophobicContact CG2-CG2 3.92Å
9	P	90.6	Very high	71.7	Confident	70 Å²	70	83.7 Å²	83.7	46%	0.455	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-54.3	144	178.1	-26.9	33.8	0	0	0	113.3	D7 T577 H578 V579	D7-P9 VanDerWaalsContact O-CD 3.23Å; D7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-T577 WeakPolarHBondContact CD-O 3.22Å; P9-H578 VanDerWaalsContact O-CA 3.29Å; P9-H578 WeakPolarHBondContact O-CA 3.26Å; P9-V579 PolarHBondContact O-N 2.49Å
10	R	90.3	Very high	72.5	Confident	203 Å²	203	81.2 Å²	81.2	77%	0.766	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-79.9	139.5	174.3	-72.3	-171.2	178.1	-175.7	0.3	110.8	V579	R10-V579 WeakPolarHBondContact CA-O 3.24Å
11	L	91.4	Very high	73.2	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.063	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-71	133.9	171.8	-164.9	68.9	0	0	0	110.2	L13 V566 V568 H578 V579 M599 W611 R612 P614	L11-L13 PolarHBondContact O-N 2.69Å; L11-V566 HydrophobicContact CD2-CB 4.46Å; L11-V566 HydrophobicContact CD2-CG1 4.17Å; L11-V568 HydrophobicContact CD1-CG2 4.06Å; L11-H578 HydrophobicContact CD1-CB 4.17Å; L11-V579 PolarHBondContact N-O 3.22Å; L11-M599 HydrophobicContact CD1-CE 3.57Å; L11-M599 HydrophobicContact CD2-CE 3.41Å; L11-M599 VanDerWaalsContact CD2-CE 3.41Å; L11-M599 HydrophobicContact CG-CE 4.03Å; L11-W611 HydrophobicContact CB-CE3 4.15Å; L11-W611 HydrophobicContact CD2-CB 3.56Å; L11-W611 HydrophobicContact CD2-CD2 3.57Å; L11-W611 HydrophobicContact CD2-CE3 3.64Å; L11-W611 HydrophobicContact CD2-CG 3.54Å; L11-W611 HydrophobicContact CD2-CZ3 4.5Å; L11-W611 HydrophobicContact CG-CB 3.94Å; L11-W611 HydrophobicContact CG-CD2 4.26Å; L11-W611 HydrophobicContact CG-CE3 3.9Å; L11-W611 HydrophobicContact CG-CG 4.31Å; L11-R612 VanDerWaalsContact CD1-O 3.31Å; L11-R612 WeakPolarHBondContact CD1-O 3.42Å; L11-P614 HydrophobicContact CD1-CG 4.15Å
12	E	91.5	Very high	76	Confident	106 Å²	106	71.2 Å²	71.2	50%	0.495	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-78.2	120.9	178	-175.8	-179	178.5	0	0	110.2	W611 R612	E12-W611 WeakPolarHBondContact O-CA 3.28Å; E12-R612 HydrophobicContact CB-CB 4.08Å; E12-R612 PolarHBondContact O-N 2.85Å; E12-R612 WeakPolarHBondContact OE2-CD 3.29Å; E12-R612 IonicContact OE2-CZ 2.79Å; E12-R612 IonicContact OE2-NE 3.69Å; E12-R612 IonicContact OE2-NH1 2.71Å
13	L	91.1	Very high	78.7	Confident	19 Å²	19	66 Å²	66	10%	0.099	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.7	173.8	-176.6	61.3	0	0	0	109.1	L11 V16 F56 L609 R610 W611	L11-L13 PolarHBondContact O-N 2.69Å; L13-V16 HydrophobicContact CD1-CG2 4.14Å; L13-V16 HydrophobicContact CD2-CG2 3.74Å; L13-V16 HydrophobicContact CG-CG2 4.1Å; L13-F56 HydrophobicContact CB-CD2 4.12Å; L13-F56 HydrophobicContact CB-CE2 4.06Å; L13-F56 HydrophobicContact CD2-CD1 3.91Å; L13-F56 HydrophobicContact CD2-CD2 3.72Å; L13-F56 HydrophobicContact CD2-CE1 4.06Å; L13-F56 HydrophobicContact CD2-CE2 3.85Å; L13-F56 HydrophobicContact CD2-CG 3.75Å; L13-F56 HydrophobicContact CD2-CZ 4.01Å; L13-F56 HydrophobicContact CG-CD2 3.97Å; L13-F56 HydrophobicContact CG-CE2 3.69Å; L13-F56 HydrophobicContact CG-CG 4.48Å; L13-F56 HydrophobicContact CG-CZ 3.98Å; L13-F56 WeakPolarHBondContact O-CE2 3.48Å; L13-L609 HydrophobicContact CD1-CB 3.82Å; L13-L609 HydrophobicContact CD1-CD2 4.06Å; L13-L609 HydrophobicContact CD1-CG 4.36Å; L13-L609 HydrophobicContact CD2-CD2 4.41Å; L13-R610 WeakPolarHBondContact CD1-O 3.18Å; L13-W611 HydrophobicContact CB-CE3 3.78Å; L13-W611 HydrophobicContact CB-CH2 4.43Å; L13-W611 HydrophobicContact CB-CZ3 3.64Å; L13-W611 HydrophobicContact CD1-CD2 3.85Å; L13-W611 HydrophobicContact CD1-CE3 3.74Å; L13-W611 HydrophobicContact CD1-CH2 3.92Å; L13-W611 HydrophobicContact CD1-CZ2 4.04Å; L13-W611 HydrophobicContact CD1-CZ3 3.78Å; L13-W611 HydrophobicContact CD2-CZ3 4.5Å; L13-W611 HydrophobicContact CG-CE3 4.35Å; L13-W611 HydrophobicContact CG-CZ3 4.17Å
14	E	90.8	Very high	81.7	Confident	50 Å²	50	67.9 Å²	67.9	23%	0.234	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-39.2	-176.3	-68.5	-167.7	145.6	0	0	112.9	R610 R612	E14-R610 PolarHBondContact N-O 2.79Å; E14-R610 IonicContact OE2-CZ 2.79Å; E14-R610 IonicContact OE2-NE 3.1Å; E14-R610 IonicContact OE2-NH1 3.61Å; E14-R612 HydrophobicContact CG-CB 3.93Å; E14-R612 IonicContact OE1-CZ 3.62Å; E14-R612 VanDerWaalsContact OE1-CZ 3.32Å; E14-R612 IonicContact OE1-NE 3.32Å; E14-R612 PolarHBondContact OE1-NE 3.49Å; E14-R612 IonicContact OE1-NH2 3.06Å; E14-R612 PolarHBondContact OE1-NH2 2.86Å
15	A	91.6	Very high	84.4	Confident	7 Å²	7	61.8 Å²	61.8	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	151.5	-178.1	0	0	0	0	0	112.2	R610	A15-R610 HydrophobicContact CB-CB 4.32Å; A15-R610 PolarHBondContact N-O 3.36Å; A15-R610 PolarHBondContact O-N 3.4Å
16	V	92.3	Very high	87	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.9	176.8	-180	0	0	0	0	109.6	L13 L40 I45 Q54 F56 L609	L13-V16 HydrophobicContact CD1-CG2 4.14Å; L13-V16 HydrophobicContact CD2-CG2 3.74Å; L13-V16 HydrophobicContact CG-CG2 4.1Å; V16-L40 HydrophobicContact CG1-CD2 3.17Å; V16-I45 HydrophobicContact CB-CD1 4.06Å; V16-I45 HydrophobicContact CG1-CD1 3.64Å; V16-Q54 PolarHBondContact O-NE2 3.46Å; V16-Q54 PolarHBondContact O-OE1 2.82Å; V16-F56 HydrophobicContact CB-CE1 3.99Å; V16-F56 HydrophobicContact CG2-CD1 3.99Å; V16-F56 HydrophobicContact CG2-CE1 3.23Å; V16-F56 HydrophobicContact CG2-CZ 3.66Å; V16-L609 HydrophobicContact CB-CD2 3.9Å; V16-L609 HydrophobicContact CG1-CD2 3.57Å; V16-L609 HydrophobicContact CG2-CD2 3.28Å
17	I	91.9	Very high	89.4	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104	172	-43.5	-172.1	0	0	0	107	F345 W356 V608	I17-F345 HydrophobicContact CD1-CZ 3.74Å; I17-W356 HydrophobicContact CD1-CB 4.45Å; I17-W356 HydrophobicContact CD1-CD2 4.03Å; I17-W356 HydrophobicContact CD1-CE3 3.94Å; I17-W356 HydrophobicContact CD1-CG 4.26Å; I17-W356 HydrophobicContact CG2-CD2 4.4Å; I17-W356 HydrophobicContact CG2-CE3 3.92Å; I17-W356 HydrophobicContact CG2-CH2 3.6Å; I17-W356 HydrophobicContact CG2-CZ2 4.07Å; I17-W356 HydrophobicContact CG2-CZ3 3.5Å; I17-W356 VanDerWaalsContact CG2-CZ3 3.5Å; I17-V608 HydrophobicContact CB-CB 4.16Å; I17-V608 PolarHBondContact N-O 3.3Å; I17-V608 PolarHBondContact O-N 3.43Å
18	G	88.6	Confident	90.8	Very high	8 Å²	8	43.5 Å²	43.5	8%	0.082	21%	0.209	C	C	.	.			trans	170.2	142.3	-176.7	0	0	0	0	0	112.1	Y38 S327	G18-Y38 WeakPolarHBondContact O-CE2 3.15Å; G18-S327 VanDerWaalsContact CA-CB 3.48Å; G18-S327 WeakPolarHBondContact CA-OG 3.37Å
19	F	89.3	Confident	91.4	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.031	20%	0.198	C	C	.	.			trans	-139.6	119.2	166.7	169.4	-113.8	0	0	0	108.3	G21 L27 Y38 A309 I311 S327	F19-G21 PolarHBondContact O-N 2.88Å; F19-L27 HydrophobicContact CE2-CB 4.01Å; F19-L27 HydrophobicContact CZ-CB 4.21Å; F19-Y38 HydrophobicContact CD2-CD2 4.02Å; F19-Y38 HydrophobicContact CD2-CG 4.14Å; F19-A309 VanDerWaalsContact O-CB 3.24Å; F19-A309 WeakPolarHBondContact O-CB 3.25Å; F19-I311 HydrophobicContact CB-CD1 4.36Å; F19-I311 HydrophobicContact CB-CG1 4.49Å; F19-I311 HydrophobicContact CD1-CG1 4.02Å; F19-I311 HydrophobicContact CD2-CD1 4Å; F19-I311 HydrophobicContact CD2-CG1 4.31Å; F19-I311 HydrophobicContact CE1-CG1 4.37Å; F19-I311 HydrophobicContact CG-CD1 4.04Å; F19-I311 HydrophobicContact CG-CG1 4Å; F19-S327 PolarHBondContact N-OG 3.49Å
20	N	87.2	Confident	91.7	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	18%	0.178	C	C	.	.			trans	-78.1	91.6	176.3	-171.1	-9.4	0	0	0	110.3	H22 V23 L40	N20-H22 PolarHBondContact O-N 2.83Å; N20-H22 VanDerWaalsContact O-N 3.14Å; N20-H22 WeakPolarHBondContact OD1-CB 3.29Å; N20-H22 PolarHBondContact OD1-N 2.91Å; N20-H22 VanDerWaalsContact OD1-N 3.12Å; N20-V23 HydrophobicContact CB-CG2 4.36Å; N20-V23 PolarHBondContact O-N 2.99Å; N20-L40 HydrophobicContact CB-CD1 4.23Å
21	G	87.6	Confident	91.9	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.3	179.1	0	0	0	0	0	114.8	F19 T291 T306	F19-G21 PolarHBondContact O-N 2.88Å; G21-T291 VanDerWaalsContact O-CB 3.29Å; G21-T291 WeakPolarHBondContact O-CB 2.98Å; G21-T291 WeakPolarHBondContact O-CG2 3.14Å; G21-T291 PolarHBondContact O-OG1 2.86Å; G21-T306 WeakPolarHBondContact CA-O 3.47Å
22	H	90.3	Very high	92	Very high	116 Å²	116	33.3 Å²	33.3	54%	0.537	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10	-176.9	-61	-65.8	0	0	0	114.2	N20 F24	N20-H22 PolarHBondContact O-N 2.83Å; N20-H22 VanDerWaalsContact O-N 3.14Å; N20-H22 WeakPolarHBondContact OD1-CB 3.29Å; N20-H22 PolarHBondContact OD1-N 2.91Å; N20-H22 VanDerWaalsContact OD1-N 3.12Å; H22-F24 PolarHBondContact O-N 2.7Å
23	V	92.5	Very high	92.2	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.048	17%	0.17	C	C	.	.	S	Bend	trans	-82	102.1	171.8	-177.8	0	0	0	0	109	N20 S25 G26 P39 V64 S65	N20-V23 HydrophobicContact CB-CG2 4.36Å; N20-V23 PolarHBondContact O-N 2.99Å; V23-S25 PolarHBondContact O-N 2.93Å; V23-G26 WeakPolarHBondContact O-CA 3.37Å; V23-G26 PolarHBondContact O-N 2.99Å; V23-P39 HydrophobicContact CB-CG 3.92Å; V23-P39 HydrophobicContact CG1-CG 3.82Å; V23-P39 HydrophobicContact CG2-CG 3.9Å; V23-V64 WeakPolarHBondContact CG2-O 3.1Å; V23-S65 WeakPolarHBondContact CG1-O 3.39Å
24	F	90.6	Very high	92.3	Very high	101 Å²	101	38.9 Å²	38.9	44%	0.443	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.1	177.7	-71.8	-79.7	0	0	0	111.3	H22 G26 N251 T291	H22-F24 PolarHBondContact O-N 2.7Å; F24-G26 PolarHBondContact O-N 2.87Å; F24-N251 HydrophobicContact CD1-CB 4.45Å; F24-N251 HydrophobicContact CE1-CB 4.16Å; F24-T291 HydrophobicContact CD1-CG2 4.27Å; F24-T291 HydrophobicContact CE1-CG2 4.04Å
25	S	90.6	Very high	92.5	Very high	31 Å²	31	37.6 Å²	37.6	22%	0.217	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	25.9	-173.5	-54.6	0	0	0	0	114	V23 R28 T291 S292	V23-S25 PolarHBondContact O-N 2.93Å; S25-R28 PolarHBondContact O-NE 2.87Å; S25-T291 PolarHBondContact N-O 3.33Å; S25-S292 VanDerWaalsContact CA-OG 3.32Å; S25-S292 WeakPolarHBondContact CA-OG 3.19Å; S25-S292 PolarHBondContact N-OG 2.85Å
26	G	92.9	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.			trans	-75.5	-25.7	-178.5	0	0	0	0	0	114.2	V23 F24 Y38 P39 V67 S292	V23-G26 WeakPolarHBondContact O-CA 3.37Å; V23-G26 PolarHBondContact O-N 2.99Å; F24-G26 PolarHBondContact O-N 2.87Å; G26-Y38 WeakPolarHBondContact O-CA 3.47Å; G26-P39 VanDerWaalsContact O-CD 3.3Å; G26-P39 WeakPolarHBondContact O-CD 3.25Å; G26-V67 WeakPolarHBondContact O-CG1 3.42Å; G26-S292 PolarHBondContact N-OG 2.94Å
27	L	96.7	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.			trans	-85.5	119.1	172.3	-178.2	66.4	0	0	0	110.1	F19 F36 Y38 S292 A294 F303 I311	F19-L27 HydrophobicContact CE2-CB 4.01Å; F19-L27 HydrophobicContact CZ-CB 4.21Å; L27-F36 HydrophobicContact CD1-CD1 3.86Å; L27-F36 HydrophobicContact CD1-CE1 4.26Å; L27-F36 HydrophobicContact CD1-CG 4.3Å; L27-Y38 HydrophobicContact CD1-CD1 3.97Å; L27-Y38 HydrophobicContact CD1-CG 4.42Å; L27-S292 PolarHBondContact N-OG 2.62Å; L27-A294 HydrophobicContact CG-CB 4.35Å; L27-F303 HydrophobicContact CD2-CB 4.16Å; L27-I311 HydrophobicContact CD1-CD1 4.05Å; L27-I311 HydrophobicContact CD2-CD1 4.35Å; L27-I311 HydrophobicContact CD2-CG1 4.31Å; L27-I311 HydrophobicContact CD2-CG2 3.73Å
28	R	96.2	Very high	93.1	Very high	51 Å²	51	37.2 Å²	37.2	19%	0.192	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.4	175.8	-60.8	-66.6	-173.9	161.6	8.7	110.6	S25 F36 I37 V69	S25-R28 PolarHBondContact O-NE 2.87Å; R28-F36 WeakPolarHBondContact O-CA 3.42Å; R28-I37 HydrophobicContact CB-CB 4.45Å; R28-I37 PolarHBondContact N-O 3.49Å; R28-I37 PolarHBondContact O-N 3.29Å; R28-V69 HydrophobicContact CB-CG2 4.14Å
29	V	96.1	Very high	93.3	Very high	22 Å²	22	36.8 Å²	36.8	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.9	167	170	0	0	0	0	106.7	H35 F36 A294 R296 F303	V29-H35 WeakPolarHBondContact CA-O 3.29Å; V29-F36 HydrophobicContact CG2-CD1 3.76Å; V29-F36 HydrophobicContact CG2-CE1 3.68Å; V29-A294 HydrophobicContact CB-CB 4.38Å; V29-A294 HydrophobicContact CG2-CB 3.78Å; V29-R296 HydrophobicContact CG1-CB 4.45Å; V29-R296 HydrophobicContact CG1-CG 4.38Å; V29-F303 HydrophobicContact CG2-CD2 3.77Å; V29-F303 HydrophobicContact CG2-CE2 3.89Å
30	H	96.7	Very high	93.4	Very high	9 Å²	9	37 Å²	37	4%	0.042	18%	0.177	C	C	.	.			trans	-64.2	147.3	176.9	-172.3	-100.5	0	0	0	110.4	D32 R33 H35 I37 G73 Y95	H30-D32 WeakPolarHBondContact CB-OD1 3.4Å; H30-D32 IonicContact CE1-OD2 3.7Å; H30-D32 IonicContact CG-OD1 3.13Å; H30-D32 IonicContact CG-OD2 2.73Å; H30-D32 WeakPolarHBondContact ND1-CB 3.23Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.72Å; H30-D32 PolarHBondContact ND1-OD1 2.88Å; H30-D32 IonicContact ND1-OD2 3.01Å; H30-D32 PolarHBondContact ND1-OD2 2.8Å; H30-D32 PolarHBondContact O-N 3.47Å; H30-R33 PolarHBondContact O-N 2.64Å; H30-H35 HydrophobicContact CB-CB 4.04Å; H30-H35 PolarHBondContact N-O 2.92Å; H30-I37 HydrophobicContact CB-CD1 3.81Å; H30-I37 HydrophobicContact CB-CG1 4.39Å; H30-G73 WeakPolarHBondContact NE2-CA 3.29Å; H30-G73 PolarHBondContact NE2-O 2.56Å; H30-Y95 AromaticContact CD2-CE2 3.97Å; H30-Y95 AromaticContact CE1-CD1 3.47Å; H30-Y95 VanDerWaalsContact CE1-CD1 3.47Å; H30-Y95 WeakPolarHBondContact CE1-CD1 3.49Å; H30-Y95 AromaticContact CE1-CE1 3.2Å; H30-Y95 WeakPolarHBondContact CE1-CE1 3.41Å; H30-Y95 AromaticContact CE1-CZ 3.64Å; H30-Y95 AromaticContact CG-CZ 3.92Å; H30-Y95 AromaticContact ND1-CE1 3.64Å; H30-Y95 AromaticContact ND1-CZ 3.66Å; H30-Y95 AromaticContact NE2-CD1 3.49Å; H30-Y95 WeakPolarHBondContact NE2-CD1 3.34Å; H30-Y95 AromaticContact NE2-CD2 3.96Å; H30-Y95 AromaticContact NE2-CE1 3.6Å; H30-Y95 AromaticContact NE2-CG 3.66Å; H30-Y95 AromaticContact NE2-CZ 3.86Å
31	P	94.3	Very high	93.4	Very high	59 Å²	59	35.5 Å²	35.5	38%	0.383	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.9	178.4	-31.5	38.5	0	0	0	115.5	R33 V69	P31-R33 PolarHBondContact O-N 2.81Å; P31-V69 HydrophobicContact CG-CG1 4.37Å
32	D	93.9	Very high	93.4	Very high	53 Å²	53	35.9 Å²	35.9	28%	0.283	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.2	171.1	68.2	12	0	0	0	114	H30 E34 H35 Y95	H30-D32 WeakPolarHBondContact CB-OD1 3.4Å; H30-D32 IonicContact CE1-OD2 3.7Å; H30-D32 IonicContact CG-OD1 3.13Å; H30-D32 IonicContact CG-OD2 2.73Å; H30-D32 WeakPolarHBondContact ND1-CB 3.23Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.72Å; H30-D32 PolarHBondContact ND1-OD1 2.88Å; H30-D32 IonicContact ND1-OD2 3.01Å; H30-D32 PolarHBondContact ND1-OD2 2.8Å; H30-D32 PolarHBondContact O-N 3.47Å; D32-E34 PolarHBondContact O-N 2.78Å; D32-E34 PolarHBondContact OD1-N 3.29Å; D32-H35 PolarHBondContact OD1-N 3.35Å; D32-H35 VanDerWaalsContact OD1-N 3.11Å; D32-H35 IonicContact OD1-ND1 3.62Å; D32-H35 IonicContact OD2-CE1 3.81Å; D32-H35 IonicContact OD2-CG 3.66Å; D32-H35 IonicContact OD2-ND1 3.57Å; D32-H35 PolarHBondContact OD2-ND1 3.41Å; D32-Y95 PolarHBondContact OD2-OH 2.81Å
33	R	94.1	Very high	93.5	Very high	133 Å²	133	30.7 Å²	30.7	50%	0.502	15%	0.149	S	C	.	.	S	Bend	trans	65.2	15.8	-177.9	-44.1	171.9	-176.8	-171.3	-2.2	114	H30 P31 R296	H30-R33 PolarHBondContact O-N 2.64Å; P31-R33 PolarHBondContact O-N 2.81Å; R33-R296 HydrophobicContact CB-CG 4.01Å; R33-R296 VanDerWaalsContact O-CZ 3.29Å; R33-R296 PolarHBondContact O-NE 3.18Å; R33-R296 PolarHBondContact O-NH2 3.03Å
34	E	93.4	Very high	93.6	Very high	109 Å²	109	30.3 Å²	30.3	51%	0.509	15%	0.147	S	C	.	.	S	Bend	trans	-114.8	-21.7	-178	-63.4	-165	154.3	0	0	112.2	D32 S48 L49	D32-E34 PolarHBondContact O-N 2.78Å; D32-E34 PolarHBondContact OD1-N 3.29Å; E34-S48 CarbonylContact O-C 3.59Å; E34-S48 WeakPolarHBondContact O-CA 3.45Å; E34-L49 VanDerWaalsContact O-CB 3.28Å; E34-L49 WeakPolarHBondContact O-CB 3.21Å; E34-L49 WeakPolarHBondContact O-CG 3.41Å; E34-L49 PolarHBondContact O-N 2.9Å
35	H	95.6	Very high	93.8	Very high	23 Å²	23	25.6 Å²	25.6	11%	0.106	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.4	-176.5	-61.4	80.6	0	0	0	113.4	V29 H30 D32 K47 Y95	V29-H35 WeakPolarHBondContact CA-O 3.29Å; H30-H35 HydrophobicContact CB-CB 4.04Å; H30-H35 PolarHBondContact N-O 2.92Å; D32-H35 PolarHBondContact OD1-N 3.35Å; D32-H35 VanDerWaalsContact OD1-N 3.11Å; D32-H35 IonicContact OD1-ND1 3.62Å; D32-H35 IonicContact OD2-CE1 3.81Å; D32-H35 IonicContact OD2-CG 3.66Å; D32-H35 IonicContact OD2-ND1 3.57Å; D32-H35 PolarHBondContact OD2-ND1 3.41Å; H35-K47 CarbonylContact C-O 3.55Å; H35-K47 WeakPolarHBondContact CA-O 3.34Å; H35-Y95 PolarHBondContact CE1-OH 2.76Å; H35-Y95 PolarHBondContact ND1-OH 2.84Å
36	F	95.6	Very high	94	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.2	157.9	-77.8	-50.3	0	0	0	110.7	L27 R28 V29 Y38 L46 K47 L49 F303 I324	L27-F36 HydrophobicContact CD1-CD1 3.86Å; L27-F36 HydrophobicContact CD1-CE1 4.26Å; L27-F36 HydrophobicContact CD1-CG 4.3Å; R28-F36 WeakPolarHBondContact O-CA 3.42Å; V29-F36 HydrophobicContact CG2-CD1 3.76Å; V29-F36 HydrophobicContact CG2-CE1 3.68Å; F36-Y38 HydrophobicContact CB-CD1 4.11Å; F36-Y38 HydrophobicContact CB-CE1 4.16Å; F36-L46 CarbonylContact O-C 3.51Å; F36-L46 VanDerWaalsContact O-CA 3.31Å; F36-L46 WeakPolarHBondContact O-CA 3.19Å; F36-K47 HydrophobicContact CB-CB 4.25Å; F36-K47 PolarHBondContact N-O 2.89Å; F36-K47 PolarHBondContact O-N 3.12Å; F36-L49 HydrophobicContact CD1-CD2 4.31Å; F36-L49 HydrophobicContact CD2-CD2 3.49Å; F36-L49 VanDerWaalsContact CD2-CD2 3.49Å; F36-L49 HydrophobicContact CD2-CG 4.18Å; F36-L49 HydrophobicContact CE1-CD2 3.99Å; F36-L49 HydrophobicContact CE2-CD2 3.13Å; F36-L49 HydrophobicContact CE2-CG 4.27Å; F36-L49 HydrophobicContact CG-CD2 4.08Å; F36-L49 HydrophobicContact CG-CG 4.48Å; F36-L49 HydrophobicContact CZ-CD2 3.41Å; F36-L49 VanDerWaalsContact CZ-CD2 3.41Å; F36-F303 HydrophobicContact CE1-CB 4.1Å; F36-F303 HydrophobicContact CE1-CD1 4.02Å; F36-F303 AromaticContact CE1-CD2 3.45Å; F36-F303 HydrophobicContact CE1-CD2 3.45Å; F36-F303 VanDerWaalsContact CE1-CD2 3.45Å; F36-F303 HydrophobicContact CE1-CE1 4.24Å; F36-F303 AromaticContact CE1-CE2 3.7Å; F36-F303 HydrophobicContact CE1-CE2 3.7Å; F36-F303 AromaticContact CE1-CG 3.59Å; F36-F303 HydrophobicContact CE1-CG 3.59Å; F36-F303 HydrophobicContact CE1-CZ 4.09Å; F36-F303 HydrophobicContact CE2-CE1 4.42Å; F36-F303 HydrophobicContact CZ-CB 4.26Å; F36-F303 AromaticContact CZ-CD1 3.47Å; F36-F303 HydrophobicContact CZ-CD1 3.47Å; F36-F303 VanDerWaalsContact CZ-CD1 3.47Å; F36-F303 AromaticContact CZ-CD2 3.74Å; F36-F303 HydrophobicContact CZ-CD2 3.74Å; F36-F303 AromaticContact CZ-CE1 3.51Å; F36-F303 HydrophobicContact CZ-CE1 3.51Å; F36-F303 AromaticContact CZ-CE2 3.78Å; F36-F303 HydrophobicContact CZ-CE2 3.78Å; F36-F303 AromaticContact CZ-CG 3.55Å; F36-F303 HydrophobicContact CZ-CG 3.55Å; F36-F303 AromaticContact CZ-CZ 3.67Å; F36-F303 HydrophobicContact CZ-CZ 3.67Å; F36-I324 HydrophobicContact CE2-CD1 3.78Å; F36-I324 HydrophobicContact CZ-CD1 3.87Å
37	I	97	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121	173.7	-55.7	174.2	0	0	0	106.7	R28 H30 V44 I45 L46 V67 V69 I76	R28-I37 HydrophobicContact CB-CB 4.45Å; R28-I37 PolarHBondContact N-O 3.49Å; R28-I37 PolarHBondContact O-N 3.29Å; H30-I37 HydrophobicContact CB-CD1 3.81Å; H30-I37 HydrophobicContact CB-CG1 4.39Å; I37-V44 HydrophobicContact CG2-CG1 3.73Å; I37-I45 WeakPolarHBondContact CA-O 3.4Å; I37-L46 HydrophobicContact CB-CD2 4.42Å; I37-L46 HydrophobicContact CD1-CD2 4.17Å; I37-L46 HydrophobicContact CG1-CD2 3.69Å; I37-L46 HydrophobicContact CG2-CD2 4.2Å; I37-V67 HydrophobicContact CG2-CG2 4.02Å; I37-V69 HydrophobicContact CD1-CG1 4.28Å; I37-V69 HydrophobicContact CD1-CG2 3.49Å; I37-V69 VanDerWaalsContact CD1-CG2 3.49Å; I37-I76 HydrophobicContact CD1-CD1 3.51Å; I37-I76 HydrophobicContact CD1-CG1 3.96Å; I37-I76 HydrophobicContact CG1-CD1 4.32Å; I37-I76 HydrophobicContact CG2-CD1 4.43Å; I37-I76 HydrophobicContact CG2-CG2 4.26Å
38	Y	95.6	Very high	94	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.9	174.5	55.9	-90	0	0	0	111.5	G18 F19 G26 L27 F36 I45 K47	G18-Y38 WeakPolarHBondContact O-CE2 3.15Å; F19-Y38 HydrophobicContact CD2-CD2 4.02Å; F19-Y38 HydrophobicContact CD2-CG 4.14Å; G26-Y38 WeakPolarHBondContact O-CA 3.47Å; L27-Y38 HydrophobicContact CD1-CD1 3.97Å; L27-Y38 HydrophobicContact CD1-CG 4.42Å; F36-Y38 HydrophobicContact CB-CD1 4.11Å; F36-Y38 HydrophobicContact CB-CE1 4.16Å; Y38-I45 HydrophobicContact CD2-CB 4.24Å; Y38-I45 HydrophobicContact CD2-CD1 4.18Å; Y38-I45 HydrophobicContact CE1-CG2 4.31Å; Y38-I45 HydrophobicContact CE2-CB 3.9Å; Y38-I45 HydrophobicContact CE2-CD1 3.56Å; Y38-I45 HydrophobicContact CE2-CG1 4.3Å; Y38-I45 HydrophobicContact CE2-CG2 4.09Å; Y38-I45 PolarHBondContact N-O 2.88Å; Y38-I45 VanDerWaalsContact N-O 3.14Å; Y38-I45 PolarHBondContact O-N 3.25Å; Y38-K47 HydrophobicContact CE1-CB 4.05Å; Y38-K47 HydrophobicContact CE1-CD 4.44Å
39	P	93.6	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144.9	174.6	31.8	-29.8	0	0	0	111.4	V23 G26 V64 V67	V23-P39 HydrophobicContact CB-CG 3.92Å; V23-P39 HydrophobicContact CG1-CG 3.82Å; V23-P39 HydrophobicContact CG2-CG 3.9Å; G26-P39 VanDerWaalsContact O-CD 3.3Å; G26-P39 WeakPolarHBondContact O-CD 3.25Å; P39-V64 HydrophobicContact CB-CB 3.71Å; P39-V64 HydrophobicContact CB-CG1 3.65Å; P39-V64 HydrophobicContact CB-CG2 4.5Å; P39-V64 HydrophobicContact CG-CG1 4.33Å; P39-V67 HydrophobicContact CG-CG1 4.35Å
40	L	90.8	Very high	93.4	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.052	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	116.8	162.4	-173.9	71.1	0	0	0	107.9	V16 N20 C42 T43 I45 A607	V16-L40 HydrophobicContact CG1-CD2 3.17Å; N20-L40 HydrophobicContact CB-CD1 4.23Å; L40-C42 PolarHBondContact O-N 3.33Å; L40-C42 VanDerWaalsContact O-N 3.16Å; L40-T43 PolarHBondContact N-O 2.92Å; L40-T43 PolarHBondContact O-N 2.72Å; L40-T43 VanDerWaalsContact O-N 3.12Å; L40-T43 VanDerWaalsContact O-O 3.13Å; L40-I45 HydrophobicContact CB-CD1 3.63Å; L40-I45 HydrophobicContact CD2-CD1 4.16Å; L40-A607 HydrophobicContact CD1-CB 4.41Å; L40-A607 HydrophobicContact CD2-CB 3.57Å; L40-A607 HydrophobicContact CG-CB 4.03Å
41	G	87.1	Confident	93	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-121.1	-171.4	0	0	0	0	0	111.3	N63 V64 S584	G41-N63 CarbonylContact O-C 3.53Å; G41-N63 WeakPolarHBondContact O-CA 3.3Å; G41-V64 PolarHBondContact O-N 3.46Å; G41-S584 WeakPolarHBondContact CA-OG 3.16Å
42	C	88.3	Confident	92.7	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.061	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	1.5	-173.9	70.3	0	0	0	0	111.7	L40 H60 N62 S584	L40-C42 PolarHBondContact O-N 3.33Å; L40-C42 VanDerWaalsContact O-N 3.16Å; C42-H60 HydrophobicContact CB-CB 4.14Å; C42-H60 WeakPolarHBondContact O-CB 3.44Å; C42-N62 WeakPolarHBondContact CA-O 3.43Å; C42-N62 VanDerWaalsContact CB-O 3.26Å; C42-N62 WeakPolarHBondContact CB-O 3.34Å; C42-S584 WeakPolarHBondContact CA-OG 3.09Å; C42-S584 WeakPolarHBondContact CB-OG 3.17Å; C42-S584 PolarHBondContact N-OG 2.82Å; C42-S584 PolarHBondContact SG-OG 3.21Å
43	T	91.1	Very high	92.5	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.4	-178.2	-57.8	0	0	0	0	109.3	L40 I45 F56 H58	L40-T43 PolarHBondContact N-O 2.92Å; L40-T43 PolarHBondContact O-N 2.72Å; L40-T43 VanDerWaalsContact O-N 3.12Å; L40-T43 VanDerWaalsContact O-O 3.13Å; T43-I45 HydrophobicContact CG2-CG1 4.5Å; T43-F56 HydrophobicContact CG2-CB 3.93Å; T43-F56 HydrophobicContact CG2-CD1 4.35Å; T43-H58 PolarHBondContact OG1-CE1 3.16Å; T43-H58 PolarHBondContact OG1-ND1 2.9Å
44	V	94.8	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124	168.1	-179.6	0	0	0	0	107.7	I37 L57 V64 V67	I37-V44 HydrophobicContact CG2-CG1 3.73Å; V44-L57 HydrophobicContact CB-CB 4.16Å; V44-L57 HydrophobicContact CB-CD1 4.39Å; V44-L57 HydrophobicContact CG1-CD1 4.33Å; V44-L57 PolarHBondContact N-O 3.28Å; V44-L57 PolarHBondContact O-N 3.13Å; V44-V64 HydrophobicContact CG2-CG1 4.47Å; V44-V64 HydrophobicContact CG2-CG2 4.32Å; V44-V67 HydrophobicContact CG1-CG2 4.23Å
45	I	95.1	Very high	92.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.2	-176	-60.3	166	0	0	0	108.7	V16 I37 Y38 L40 T43 K47 Q54 F56	V16-I45 HydrophobicContact CB-CD1 4.06Å; V16-I45 HydrophobicContact CG1-CD1 3.64Å; I37-I45 WeakPolarHBondContact CA-O 3.4Å; Y38-I45 HydrophobicContact CD2-CB 4.24Å; Y38-I45 HydrophobicContact CD2-CD1 4.18Å; Y38-I45 HydrophobicContact CE1-CG2 4.31Å; Y38-I45 HydrophobicContact CE2-CB 3.9Å; Y38-I45 HydrophobicContact CE2-CD1 3.56Å; Y38-I45 HydrophobicContact CE2-CG1 4.3Å; Y38-I45 HydrophobicContact CE2-CG2 4.09Å; Y38-I45 PolarHBondContact N-O 2.88Å; Y38-I45 VanDerWaalsContact N-O 3.14Å; Y38-I45 PolarHBondContact O-N 3.25Å; L40-I45 HydrophobicContact CB-CD1 3.63Å; L40-I45 HydrophobicContact CD2-CD1 4.16Å; T43-I45 HydrophobicContact CG2-CG1 4.5Å; I45-K47 HydrophobicContact CG2-CB 4.48Å; I45-Q54 HydrophobicContact CG2-CB 4.41Å; I45-Q54 HydrophobicContact CG2-CG 4.37Å; I45-F56 HydrophobicContact CG1-CD1 4.17Å; I45-F56 HydrophobicContact CG1-CE1 4.4Å; I45-F56 HydrophobicContact CG2-CE1 4.35Å
46	L	96.1	Very high	92.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	166.4	-49.9	178.4	0	0	0	107.4	F36 I37 Q54 E55 L57 I76 Y95	F36-L46 CarbonylContact O-C 3.51Å; F36-L46 VanDerWaalsContact O-CA 3.31Å; F36-L46 WeakPolarHBondContact O-CA 3.19Å; I37-L46 HydrophobicContact CB-CD2 4.42Å; I37-L46 HydrophobicContact CD1-CD2 4.17Å; I37-L46 HydrophobicContact CG1-CD2 3.69Å; I37-L46 HydrophobicContact CG2-CD2 4.2Å; L46-Q54 CarbonylContact O-C 3.59Å; L46-Q54 VanDerWaalsContact O-CA 3.27Å; L46-Q54 WeakPolarHBondContact O-CA 3.23Å; L46-E55 HydrophobicContact CB-CB 4.21Å; L46-E55 HydrophobicContact CD1-CB 4.46Å; L46-E55 PolarHBondContact N-O 3.46Å; L46-E55 PolarHBondContact O-N 2.85Å; L46-L57 HydrophobicContact CD1-CD1 4.17Å; L46-L57 HydrophobicContact CD1-CD2 4.19Å; L46-L57 HydrophobicContact CD1-CG 4.21Å; L46-L57 HydrophobicContact CD2-CD1 4.08Å; L46-L57 HydrophobicContact CG-CD1 4.17Å; L46-L57 HydrophobicContact CG-CG 4.24Å; L46-I76 HydrophobicContact CD2-CD1 3.58Å; L46-Y95 HydrophobicContact CD1-CD2 4.27Å; L46-Y95 HydrophobicContact CD1-CE2 4.02Å; L46-Y95 HydrophobicContact CD2-CE2 4.45Å
47	K	95.1	Very high	92.2	Very high	49 Å²	49	36 Å²	36	21%	0.213	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.3	179.7	-178.6	176.2	-179.3	178.1	0	110.8	H35 F36 Y38 I45 L49 K53 Q54	H35-K47 CarbonylContact C-O 3.55Å; H35-K47 WeakPolarHBondContact CA-O 3.34Å; F36-K47 HydrophobicContact CB-CB 4.25Å; F36-K47 PolarHBondContact N-O 2.89Å; F36-K47 PolarHBondContact O-N 3.12Å; Y38-K47 HydrophobicContact CE1-CB 4.05Å; Y38-K47 HydrophobicContact CE1-CD 4.44Å; I45-K47 HydrophobicContact CG2-CB 4.48Å; K47-L49 PolarHBondContact O-N 3.41Å; K47-K53 CarbonylContact C-O 3.55Å; K47-K53 WeakPolarHBondContact CA-O 3.29Å; K47-Q54 HydrophobicContact CB-CG 4.3Å; K47-Q54 HydrophobicContact CD-CG 4.38Å; K47-Q54 HydrophobicContact CG-CG 4.11Å
48	S	94.1	Very high	91.8	Very high	16 Å²	16	39 Å²	39	11%	0.112	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.4	173.6	160.4	0	0	0	0	110.9	E34 K50 D51 G52 K53	E34-S48 CarbonylContact O-C 3.59Å; E34-S48 WeakPolarHBondContact O-CA 3.45Å; S48-K50 VanDerWaalsContact C-N 3.27Å; S48-K50 PolarHBondContact OG-N 2.96Å; S48-D51 WeakPolarHBondContact CB-OD1 3.47Å; S48-D51 PolarHBondContact OG-N 2.84Å; S48-D51 PolarHBondContact OG-OD1 3.29Å; S48-G52 WeakPolarHBondContact O-CA 3.3Å; S48-G52 PolarHBondContact O-N 2.92Å; S48-K53 PolarHBondContact N-O 3.44Å
49	L	90.4	Very high	91.4	Very high	42 Å²	42	39.4 Å²	39.4	22%	0.22	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.4	176.3	-75.6	166.6	0	0	0	112.7	E34 F36 K47 F303	E34-L49 VanDerWaalsContact O-CB 3.28Å; E34-L49 WeakPolarHBondContact O-CB 3.21Å; E34-L49 WeakPolarHBondContact O-CG 3.41Å; E34-L49 PolarHBondContact O-N 2.9Å; F36-L49 HydrophobicContact CD1-CD2 4.31Å; F36-L49 HydrophobicContact CD2-CD2 3.49Å; F36-L49 VanDerWaalsContact CD2-CD2 3.49Å; F36-L49 HydrophobicContact CD2-CG 4.18Å; F36-L49 HydrophobicContact CE1-CD2 3.99Å; F36-L49 HydrophobicContact CE2-CD2 3.13Å; F36-L49 HydrophobicContact CE2-CG 4.27Å; F36-L49 HydrophobicContact CG-CD2 4.08Å; F36-L49 HydrophobicContact CG-CG 4.48Å; F36-L49 HydrophobicContact CZ-CD2 3.41Å; F36-L49 VanDerWaalsContact CZ-CD2 3.41Å; K47-L49 PolarHBondContact O-N 3.41Å; L49-F303 HydrophobicContact CD2-CE1 4.44Å; L49-F303 HydrophobicContact CD2-CE2 4.38Å; L49-F303 HydrophobicContact CD2-CZ 3.85Å
50	K	88.9	Confident	91.3	Very high	192 Å²	192	39.9 Å²	39.9	84%	0.835	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-49.9	-173.4	-175	-178.9	178.6	-177	0	111.9	S48	S48-K50 VanDerWaalsContact C-N 3.27Å; S48-K50 PolarHBondContact OG-N 2.96Å
51	D	87.8	Confident	91.2	Very high	89 Å²	89	44 Å²	44	48%	0.476	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-4.2	-174	62.8	-1	0	0	0	113.4	S48 K53	S48-D51 WeakPolarHBondContact CB-OD1 3.47Å; S48-D51 PolarHBondContact OG-N 2.84Å; S48-D51 PolarHBondContact OG-OD1 3.29Å; D51-K53 PolarHBondContact O-N 3.04Å; D51-K53 PolarHBondContact OD1-N 2.95Å; D51-K53 WeakPolarHBondContact OD2-CD 3.49Å; D51-K53 WeakPolarHBondContact OD2-CE 3.42Å; D51-K53 WeakPolarHBondContact OD2-CG 3.49Å; D51-K53 IonicContact OD2-NZ 3.94Å
52	G	87.8	Confident	91.3	Very high	32 Å²	32	45 Å²	45	33%	0.33	23%	0.231	S	C	.	.			trans	76.6	3.4	178.2	0	0	0	0	0	114.5	S48	S48-G52 WeakPolarHBondContact O-CA 3.3Å; S48-G52 PolarHBondContact O-N 2.92Å
53	K	90.9	Very high	91.4	Very high	145 Å²	145	47.1 Å²	47.1	63%	0.63	24%	0.242	S	C	*	.			trans	-59.4	141.6	177.4	-73.5	-175.6	-172.5	175.1	0	110.9	K47 S48 D51	K47-K53 CarbonylContact C-O 3.55Å; K47-K53 WeakPolarHBondContact CA-O 3.29Å; S48-K53 PolarHBondContact N-O 3.44Å; D51-K53 PolarHBondContact O-N 3.04Å; D51-K53 PolarHBondContact OD1-N 2.95Å; D51-K53 WeakPolarHBondContact OD2-CD 3.49Å; D51-K53 WeakPolarHBondContact OD2-CE 3.42Å; D51-K53 WeakPolarHBondContact OD2-CG 3.49Å; D51-K53 IonicContact OD2-NZ 3.94Å
54	Q	93.2	Very high	91.6	Very high	36 Å²	36	46.8 Å²	46.8	17%	0.168	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.2	-178.2	-62.5	-178.8	-2.6	0	0	110.3	V16 I45 L46 K47 F56	V16-Q54 PolarHBondContact O-NE2 3.46Å; V16-Q54 PolarHBondContact O-OE1 2.82Å; I45-Q54 HydrophobicContact CG2-CB 4.41Å; I45-Q54 HydrophobicContact CG2-CG 4.37Å; L46-Q54 CarbonylContact O-C 3.59Å; L46-Q54 VanDerWaalsContact O-CA 3.27Å; L46-Q54 WeakPolarHBondContact O-CA 3.23Å; K47-Q54 HydrophobicContact CB-CG 4.3Å; K47-Q54 HydrophobicContact CD-CG 4.38Å; K47-Q54 HydrophobicContact CG-CG 4.11Å; Q54-F56 HydrophobicContact CB-CE1 3.77Å; Q54-F56 HydrophobicContact CB-CE2 4.43Å; Q54-F56 HydrophobicContact CB-CZ 3.58Å
55	E	92.9	Very high	91.6	Very high	72 Å²	72	47.7 Å²	47.7	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.2	168.2	-52.7	178.5	-130.8	0	0	108.7	L46 R98	L46-E55 HydrophobicContact CB-CB 4.21Å; L46-E55 HydrophobicContact CD1-CB 4.46Å; L46-E55 PolarHBondContact N-O 3.46Å; L46-E55 PolarHBondContact O-N 2.85Å; E55-R98 IonicContact OE1-CZ 2.82Å; E55-R98 IonicContact OE1-NE 3.71Å; E55-R98 PolarHBondContact OE1-NE 2.77Å; E55-R98 IonicContact OE1-NH2 3.57Å; E55-R98 PolarHBondContact OE1-NH2 3.07Å; E55-R98 VanDerWaalsContact OE2-CD 3.31Å; E55-R98 WeakPolarHBondContact OE2-CD 3.25Å; E55-R98 IonicContact OE2-CZ 3.53Å; E55-R98 IonicContact OE2-NE 3.36Å; E55-R98 PolarHBondContact OE2-NE 2.9Å; E55-R98 IonicContact OE2-NH2 3.04Å
56	F	92	Very high	91.6	Very high	41 Å²	41	48 Å²	48	18%	0.18	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122	-167.6	-51.3	-66.8	0	0	0	111.3	L13 V16 T43 I45 Q54 H58	L13-F56 HydrophobicContact CB-CD2 4.12Å; L13-F56 HydrophobicContact CB-CE2 4.06Å; L13-F56 HydrophobicContact CD2-CD1 3.91Å; L13-F56 HydrophobicContact CD2-CD2 3.72Å; L13-F56 HydrophobicContact CD2-CE1 4.06Å; L13-F56 HydrophobicContact CD2-CE2 3.85Å; L13-F56 HydrophobicContact CD2-CG 3.75Å; L13-F56 HydrophobicContact CD2-CZ 4.01Å; L13-F56 HydrophobicContact CG-CD2 3.97Å; L13-F56 HydrophobicContact CG-CE2 3.69Å; L13-F56 HydrophobicContact CG-CG 4.48Å; L13-F56 HydrophobicContact CG-CZ 3.98Å; L13-F56 WeakPolarHBondContact O-CE2 3.48Å; V16-F56 HydrophobicContact CB-CE1 3.99Å; V16-F56 HydrophobicContact CG2-CD1 3.99Å; V16-F56 HydrophobicContact CG2-CE1 3.23Å; V16-F56 HydrophobicContact CG2-CZ 3.66Å; T43-F56 HydrophobicContact CG2-CB 3.93Å; T43-F56 HydrophobicContact CG2-CD1 4.35Å; I45-F56 HydrophobicContact CG1-CD1 4.17Å; I45-F56 HydrophobicContact CG1-CE1 4.4Å; I45-F56 HydrophobicContact CG2-CE1 4.35Å; Q54-F56 HydrophobicContact CB-CE1 3.77Å; Q54-F56 HydrophobicContact CB-CE2 4.43Å; Q54-F56 HydrophobicContact CB-CZ 3.58Å; F56-H58 WeakPolarHBondContact CB-NE2 3.35Å
57	L	93.5	Very high	91.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	93.7	175	-55.2	179.6	0	0	0	109.1	V44 L46 I76 W93 R98	V44-L57 HydrophobicContact CB-CB 4.16Å; V44-L57 HydrophobicContact CB-CD1 4.39Å; V44-L57 HydrophobicContact CG1-CD1 4.33Å; V44-L57 PolarHBondContact N-O 3.28Å; V44-L57 PolarHBondContact O-N 3.13Å; L46-L57 HydrophobicContact CD1-CD1 4.17Å; L46-L57 HydrophobicContact CD1-CD2 4.19Å; L46-L57 HydrophobicContact CD1-CG 4.21Å; L46-L57 HydrophobicContact CD2-CD1 4.08Å; L46-L57 HydrophobicContact CG-CD1 4.17Å; L46-L57 HydrophobicContact CG-CG 4.24Å; L57-I76 HydrophobicContact CD1-CD1 4.18Å; L57-W93 HydrophobicContact CB-CD2 3.92Å; L57-W93 HydrophobicContact CB-CE3 4.02Å; L57-W93 HydrophobicContact CB-CH2 4.18Å; L57-W93 HydrophobicContact CB-CZ2 4.05Å; L57-W93 HydrophobicContact CB-CZ3 4.13Å; L57-W93 HydrophobicContact CD1-CB 4.1Å; L57-W93 HydrophobicContact CD1-CD2 4.06Å; L57-W93 HydrophobicContact CD1-CE3 4.47Å; L57-W93 HydrophobicContact CD1-CG 3.85Å; L57-W93 HydrophobicContact CD2-CD2 4.46Å; L57-W93 HydrophobicContact CD2-CE3 4.06Å; L57-W93 HydrophobicContact CD2-CZ3 4.5Å; L57-W93 HydrophobicContact CG-CD2 4.38Å; L57-W93 HydrophobicContact CG-CE3 4.41Å; L57-R98 HydrophobicContact CD2-CB 4.34Å
58	H	88.8	Confident	91.8	Very high	61 Å²	61	46.6 Å²	46.6	28%	0.282	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.9	-178.2	-65.1	-63.4	0	0	0	112.4	T43 F56 W93 V581	T43-H58 PolarHBondContact OG1-CE1 3.16Å; T43-H58 PolarHBondContact OG1-ND1 2.9Å; F56-H58 WeakPolarHBondContact CB-NE2 3.35Å; H58-W93 VanDerWaalsContact O-CH2 3.28Å; H58-W93 WeakPolarHBondContact O-CH2 3.15Å; H58-V581 PolarHBondContact CE1-O 3.14Å
59	G	87.5	Confident	92	Very high	16 Å²	16	47 Å²	47	17%	0.165	25%	0.246	C	C	.	.			trans	-171.5	-26.2	175.4	0	0	0	0	0	115.7	R103	G59-R103 PolarHBondContact O-NH2 2.91Å
60	H	91.4	Very high	92.3	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.051	24%	0.236	C	C	.	.			trans	-73.7	151.1	173.8	-70.5	-76.3	0	0	0	111	C42 V64 S78 Q80 D89	C42-H60 HydrophobicContact CB-CB 4.14Å; C42-H60 WeakPolarHBondContact O-CB 3.44Å; H60-V64 HydrophobicContact CB-CG2 4.32Å; H60-S78 PolarHBondContact CE1-O 3.47Å; H60-S78 WeakPolarHBondContact NE2-CB 3.49Å; H60-S78 PolarHBondContact NE2-O 3.32Å; H60-S78 PolarHBondContact NE2-OG 3.49Å; H60-Q80 PolarHBondContact ND1-OE1 2.86Å; H60-D89 PolarHBondContact CE1-O 2.76Å
61	T	87.4	Confident	92.5	Very high	97 Å²	97	40.2 Å²	40.2	60%	0.595	22%	0.215	S	C	*	.	S	Bend	trans	-100.6	-7.8	178.2	55	0	0	0	0	112.5
62	N	89.2	Confident	92.9	Very high	24 Å²	24	39.3 Å²	39.3	13%	0.128	22%	0.216	C	C	.	.	S	Bend	trans	-148.9	177.9	-176.4	-149.8	-18.6	0	0	0	109.9	C42 V64 V81	C42-N62 WeakPolarHBondContact CA-O 3.43Å; C42-N62 VanDerWaalsContact CB-O 3.26Å; C42-N62 WeakPolarHBondContact CB-O 3.34Å; N62-V64 PolarHBondContact O-N 2.8Å; N62-V81 VanDerWaalsContact CB-O 3.24Å; N62-V81 WeakPolarHBondContact CB-O 2.98Å; N62-V81 VanDerWaalsContact CG-O 3.22Å; N62-V81 PolarHBondContact ND2-O 2.79Å
63	N	91.1	Very high	93.3	Very high	53 Å²	53	38 Å²	38	28%	0.283	20%	0.201	S	C	.	.			trans	-57.7	130.2	-173	-71.3	-6.3	0	0	0	112.4	G41 S65 Q80 V81 S584	G41-N63 CarbonylContact O-C 3.53Å; G41-N63 WeakPolarHBondContact O-CA 3.3Å; N63-S65 PolarHBondContact O-N 2.7Å; N63-Q80 CarbonylContact O-C 3.48Å; N63-Q80 VanDerWaalsContact O-CA 3.25Å; N63-Q80 WeakPolarHBondContact O-CA 3.47Å; N63-Q80 WeakPolarHBondContact O-CB 3.29Å; N63-V81 HydrophobicContact CB-CG1 3.88Å; N63-V81 WeakPolarHBondContact O-CG1 3.24Å; N63-V81 PolarHBondContact O-N 2.81Å; N63-S584 WeakPolarHBondContact OD1-CB 2.95Å
64	V	94.7	Very high	93.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.5	170.2	179	0	0	0	0	108.3	V23 P39 G41 V44 H60 N62 C66 G79	V23-V64 WeakPolarHBondContact CG2-O 3.1Å; P39-V64 HydrophobicContact CB-CB 3.71Å; P39-V64 HydrophobicContact CB-CG1 3.65Å; P39-V64 HydrophobicContact CB-CG2 4.5Å; P39-V64 HydrophobicContact CG-CG1 4.33Å; G41-V64 PolarHBondContact O-N 3.46Å; V44-V64 HydrophobicContact CG2-CG1 4.47Å; V44-V64 HydrophobicContact CG2-CG2 4.32Å; H60-V64 HydrophobicContact CB-CG2 4.32Å; N62-V64 PolarHBondContact O-N 2.8Å; V64-C66 WeakPolarHBondContact CG1-O 3.36Å; V64-G79 CarbonylContact C-O 3.54Å; V64-G79 WeakPolarHBondContact CA-O 3.39Å; V64-G79 WeakPolarHBondContact CG1-O 2.98Å
65	S	95.4	Very high	93.8	Very high	18 Å²	18	36.7 Å²	36.7	13%	0.126	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-20.7	-177.2	50.3	0	0	0	0	113.7	V23 N63 G79 Q80 V111	V23-S65 WeakPolarHBondContact CG1-O 3.39Å; N63-S65 PolarHBondContact O-N 2.7Å; S65-G79 PolarHBondContact N-O 3.32Å; S65-G79 PolarHBondContact OG-O 3.04Å; S65-G79 VanDerWaalsContact OG-O 3.13Å; S65-Q80 VanDerWaalsContact OG-C 3.25Å; S65-Q80 PolarHBondContact OG-O 3.15Å; S65-V111 WeakPolarHBondContact CB-O 3.36Å; S65-V111 PolarHBondContact OG-O 2.88Å
66	C	96.4	Very high	94	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	149.4	177.8	58.6	0	0	0	0	110.8	V64 S78 G79 V111	V64-C66 WeakPolarHBondContact CG1-O 3.36Å; C66-S78 WeakPolarHBondContact O-CA 3.49Å; C66-G79 PolarHBondContact N-O 3.18Å; C66-G79 PolarHBondContact O-N 2.75Å; C66-V111 PolarHBondContact SG-O 3.18Å
67	V	97.6	Very high	94.3	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.3	172.8	67.2	0	0	0	0	110.2	G26 I37 P39 V44 I76 A77	G26-V67 WeakPolarHBondContact O-CG1 3.42Å; I37-V67 HydrophobicContact CG2-CG2 4.02Å; P39-V67 HydrophobicContact CG-CG1 4.35Å; V44-V67 HydrophobicContact CG1-CG2 4.23Å; V67-I76 HydrophobicContact CG2-CG2 3.85Å; V67-A77 CarbonylContact C-O 3.53Å; V67-A77 WeakPolarHBondContact CA-O 3.32Å
68	T	97.3	Very high	94.5	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.7	175	-165.6	0	0	0	0	110.8	A77 L114 F116 L123	T68-A77 HydrophobicContact CG2-CB 4.01Å; T68-A77 PolarHBondContact N-O 3.39Å; T68-A77 PolarHBondContact O-N 2.9Å; T68-L114 WeakPolarHBondContact CB-O 3.18Å; T68-L114 HydrophobicContact CG2-CB 3.51Å; T68-L114 WeakPolarHBondContact CG2-O 3.36Å; T68-F116 HydrophobicContact CG2-CD2 3.75Å; T68-F116 HydrophobicContact CG2-CE2 3.76Å; T68-L123 HydrophobicContact CG2-CD1 4.46Å
69	V	97.4	Very high	94.9	Very high	26 Å²	26	28.2 Å²	28.2	16%	0.158	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134	-177.1	-170.3	0	0	0	0	108.1	R28 P31 I37 I76	R28-V69 HydrophobicContact CB-CG2 4.14Å; P31-V69 HydrophobicContact CG-CG1 4.37Å; I37-V69 HydrophobicContact CD1-CG1 4.28Å; I37-V69 HydrophobicContact CD1-CG2 3.49Å; I37-V69 VanDerWaalsContact CD1-CG2 3.49Å; V69-I76 HydrophobicContact CG1-CG1 4.43Å
70	S	97.1	Very high	95.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.145	C	C	.	.			trans	-60.6	155.6	174.3	62.4	0	0	0	0	111.8	S72 G73 R74 Y75 F116 D120	S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.21Å; S70-G73 PolarHBondContact O-N 3.46Å; S70-G73 PolarHBondContact OG-N 2.95Å; S70-R74 PolarHBondContact OG-N 3.32Å; S70-R74 VanDerWaalsContact OG-N 3.11Å; S70-Y75 WeakPolarHBondContact CB-O 3.29Å; S70-Y75 PolarHBondContact N-O 3.31Å; S70-Y75 PolarHBondContact OG-N 3.36Å; S70-Y75 PolarHBondContact OG-O 3.39Å; S70-F116 VanDerWaalsContact CA-CD2 3.49Å; S70-F116 VanDerWaalsContact N-CD2 3.31Å; S70-D120 VanDerWaalsContact CB-OD1 3.31Å; S70-D120 WeakPolarHBondContact CB-OD1 3.36Å
71	K	93.4	Very high	95.4	Very high	89 Å²	89	29.5 Å²	29.5	39%	0.387	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-36.2	-175.9	-75.3	-157.1	174.9	-159	0	113	G73 P118 D120 N165	K71-G73 PolarHBondContact O-N 2.72Å; K71-P118 HydrophobicContact CD-CB 4.26Å; K71-D120 PolarHBondContact N-OD1 3.13Å; K71-N165 WeakPolarHBondContact CE-OD1 3.41Å; K71-N165 PolarHBondContact NZ-O 3.31Å; K71-N165 PolarHBondContact NZ-OD1 3.05Å
72	S	95.3	Very high	95.7	Very high	71 Å²	71	26 Å²	26	50%	0.497	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.7	173.5	65.9	0	0	0	0	113.3	S70 R74 D120	S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.21Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 VanDerWaalsContact OG-CB 3.26Å; S72-R74 WeakPolarHBondContact OG-CB 3.45Å; S72-R74 PolarHBondContact OG-N 3.37Å; S72-R74 VanDerWaalsContact OG-N 3.08Å; S72-D120 WeakPolarHBondContact CB-OD2 3.43Å; S72-D120 PolarHBondContact OG-OD2 3.26Å
73	G	95.9	Very high	95.5	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	80.4	2.6	-169.1	0	0	0	0	0	114	H30 S70 K71 Y75 Y95	H30-G73 WeakPolarHBondContact NE2-CA 3.29Å; H30-G73 PolarHBondContact NE2-O 2.56Å; S70-G73 PolarHBondContact O-N 3.46Å; S70-G73 PolarHBondContact OG-N 2.95Å; K71-G73 PolarHBondContact O-N 2.72Å; G73-Y75 VanDerWaalsContact C-N 3.33Å; G73-Y75 PolarHBondContact O-N 3.26Å; G73-Y95 VanDerWaalsContact O-CB 3.25Å; G73-Y95 WeakPolarHBondContact O-CB 3.41Å
74	R	96.9	Very high	95.3	Very high	142 Å²	142	36 Å²	36	54%	0.536	18%	0.18	S	C	.	.	S	Bend	trans	-64	-38.8	180	-178.1	175.4	177.3	178.7	-1.5	113.2	S70 S72 Y95	S70-R74 PolarHBondContact OG-N 3.32Å; S70-R74 VanDerWaalsContact OG-N 3.11Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 VanDerWaalsContact OG-CB 3.26Å; S72-R74 WeakPolarHBondContact OG-CB 3.45Å; S72-R74 PolarHBondContact OG-N 3.37Å; S72-R74 VanDerWaalsContact OG-N 3.08Å; R74-Y95 WeakPolarHBondContact O-CB 3.2Å; R74-Y95 PolarHBondContact O-N 3.32Å
75	Y	98.1	Very high	94.7	Very high	13 Å²	13	39.1 Å²	39.1	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.3	-176.5	-57.9	-62.7	0	0	0	113	S70 G73 I92 W93 H101 D120 L139	S70-Y75 WeakPolarHBondContact CB-O 3.29Å; S70-Y75 PolarHBondContact N-O 3.31Å; S70-Y75 PolarHBondContact OG-N 3.36Å; S70-Y75 PolarHBondContact OG-O 3.39Å; G73-Y75 VanDerWaalsContact C-N 3.33Å; G73-Y75 PolarHBondContact O-N 3.26Å; Y75-I92 HydrophobicContact CD1-CG2 4.21Å; Y75-I92 HydrophobicContact CG-CG2 4.34Å; Y75-W93 VanDerWaalsContact CA-O 3.29Å; Y75-W93 WeakPolarHBondContact CA-O 3.47Å; Y75-H101 HydrophobicContact CE1-CB 4.4Å; Y75-H101 AromaticContact CE1-CD2 3.94Å; Y75-H101 AromaticContact CE1-CG 3.94Å; Y75-D120 HydrophobicContact CD2-CB 4.3Å; Y75-D120 HydrophobicContact CE2-CB 4.5Å; Y75-L139 HydrophobicContact CD2-CD1 4.42Å
76	I	98.3	Very high	94.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.1	166	-59.2	169.9	0	0	0	107	I37 L46 L57 V67 V69 I92 W93 Y95	I37-I76 HydrophobicContact CD1-CD1 3.51Å; I37-I76 HydrophobicContact CD1-CG1 3.96Å; I37-I76 HydrophobicContact CG1-CD1 4.32Å; I37-I76 HydrophobicContact CG2-CD1 4.43Å; I37-I76 HydrophobicContact CG2-CG2 4.26Å; L46-I76 HydrophobicContact CD2-CD1 3.58Å; L57-I76 HydrophobicContact CD1-CD1 4.18Å; V67-I76 HydrophobicContact CG2-CG2 3.85Å; V69-I76 HydrophobicContact CG1-CG1 4.43Å; I76-I92 CarbonylContact O-C 3.5Å; I76-I92 WeakPolarHBondContact O-CA 3.34Å; I76-W93 HydrophobicContact CB-CB 4.27Å; I76-W93 PolarHBondContact N-O 3.47Å; I76-W93 PolarHBondContact O-N 2.85Å; I76-Y95 HydrophobicContact CD1-CD2 3.7Å; I76-Y95 HydrophobicContact CD1-CE2 4.38Å; I76-Y95 HydrophobicContact CG1-CD2 4.49Å
77	A	98.3	Very high	94.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.3	173.6	0	0	0	0	0	110.3	V67 T68 I91 L114 F116 L123	V67-A77 CarbonylContact C-O 3.53Å; V67-A77 WeakPolarHBondContact CA-O 3.32Å; T68-A77 HydrophobicContact CG2-CB 4.01Å; T68-A77 PolarHBondContact N-O 3.39Å; T68-A77 PolarHBondContact O-N 2.9Å; A77-I91 WeakPolarHBondContact CA-O 3.41Å; A77-L114 HydrophobicContact CB-CD1 4.06Å; A77-F116 HydrophobicContact CB-CE2 3.66Å; A77-F116 HydrophobicContact CB-CZ 3.53Å; A77-L123 HydrophobicContact CB-CD1 4.05Å; A77-L123 HydrophobicContact CB-CD2 4Å
78	S	98.1	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	177.4	55.2	0	0	0	0	110.6	H60 C66 L90 I91 W93	H60-S78 PolarHBondContact CE1-O 3.47Å; H60-S78 WeakPolarHBondContact NE2-CB 3.49Å; H60-S78 PolarHBondContact NE2-O 3.32Å; H60-S78 PolarHBondContact NE2-OG 3.49Å; C66-S78 WeakPolarHBondContact O-CA 3.49Å; S78-L90 CarbonylContact O-C 3.56Å; S78-L90 WeakPolarHBondContact O-CA 3.37Å; S78-I91 PolarHBondContact N-O 2.96Å; S78-I91 PolarHBondContact O-N 2.89Å; S78-W93 PolarHBondContact OG-NE1 3.46Å
79	G	97.3	Very high	94.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.8	177.4	0	0	0	0	0	110.3	V64 S65 C66	V64-G79 CarbonylContact C-O 3.54Å; V64-G79 WeakPolarHBondContact CA-O 3.39Å; V64-G79 WeakPolarHBondContact CG1-O 2.98Å; S65-G79 PolarHBondContact N-O 3.32Å; S65-G79 PolarHBondContact OG-O 3.04Å; S65-G79 VanDerWaalsContact OG-O 3.13Å; C66-G79 PolarHBondContact N-O 3.18Å; C66-G79 PolarHBondContact O-N 2.75Å
80	Q	95.3	Very high	94.1	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	163.6	177.3	76	-169	19.7	0	0	113.5	H60 N63 S65 A88 D89 V111	H60-Q80 PolarHBondContact ND1-OE1 2.86Å; N63-Q80 CarbonylContact O-C 3.48Å; N63-Q80 VanDerWaalsContact O-CA 3.25Å; N63-Q80 WeakPolarHBondContact O-CA 3.47Å; N63-Q80 WeakPolarHBondContact O-CB 3.29Å; S65-Q80 VanDerWaalsContact OG-C 3.25Å; S65-Q80 PolarHBondContact OG-O 3.15Å; Q80-A88 HydrophobicContact CG-CB 4.18Å; Q80-A88 WeakPolarHBondContact O-CB 3.46Å; Q80-D89 HydrophobicContact CG-CB 4.17Å; Q80-D89 PolarHBondContact N-O 2.93Å; Q80-D89 VanDerWaalsContact NE2-N 3.19Å; Q80-V111 PolarHBondContact O-N 2.96Å; Q80-V111 VanDerWaalsContact O-N 3.09Å
81	V	94.1	Very high	94.2	Very high	50 Å²	50	48.7 Å²	48.7	30%	0.303	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-103.1	138.6	160	59.4	0	0	0	0	109.6	N62 N63 A109 K110	N62-V81 VanDerWaalsContact CB-O 3.24Å; N62-V81 WeakPolarHBondContact CB-O 2.98Å; N62-V81 VanDerWaalsContact CG-O 3.22Å; N62-V81 PolarHBondContact ND2-O 2.79Å; N63-V81 HydrophobicContact CB-CG1 3.88Å; N63-V81 WeakPolarHBondContact O-CG1 3.24Å; N63-V81 PolarHBondContact O-N 2.81Å; V81-A109 CarbonylContact C-O 3.54Å; V81-A109 WeakPolarHBondContact CA-O 3.38Å; V81-K110 HydrophobicContact CB-CB 4.3Å; V81-K110 HydrophobicContact CB-CD 4.46Å; V81-K110 HydrophobicContact CB-CG 4.06Å; V81-K110 HydrophobicContact CG2-CB 4.07Å; V81-K110 HydrophobicContact CG2-CD 4.38Å; V81-K110 HydrophobicContact CG2-CG 4.22Å
82	T	92.1	Very high	94.4	Very high	25 Å²	25	44.5 Å²	44.5	15%	0.153	23%	0.23	C	C	.	.			trans	-137.2	178.4	178.4	-165.7	0	0	0	0	110	F86 A88 A109	T82-F86 HydrophobicContact CG2-CB 3.93Å; T82-A88 HydrophobicContact CG2-CB 4.12Å; T82-A109 WeakPolarHBondContact CG2-O 3.33Å; T82-A109 PolarHBondContact N-O 2.91Å
83	F	86.6	Confident	94.5	Very high	145 Å²	145	41.4 Å²	41.4	64%	0.636	21%	0.207	S	C	*	.			trans	-65.2	149.7	-179.4	-57.4	-78.7	0	0	0	112	G85 F86	F83-G85 PolarHBondContact O-N 2.59Å; F83-F86 HydrophobicContact CB-CD2 3.88Å; F83-F86 HydrophobicContact CB-CE2 4.38Å; F83-F86 PolarHBondContact O-N 3.17Å; F83-F86 VanDerWaalsContact O-N 3.14Å
84	M	84.9	Confident	94.6	Very high	140 Å²	140	41.8 Å²	41.8	69%	0.69	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	135.1	178.2	-70.2	-176.8	122.7	0	0	111.3	F86 D130	M84-F86 VanDerWaalsContact C-N 3.3Å; M84-F86 PolarHBondContact O-N 3.06Å; M84-D130 VanDerWaalsContact CE-OD1 3.31Å; M84-D130 WeakPolarHBondContact CE-OD1 3.07Å; M84-D130 WeakPolarHBondContact CE-OD2 3.37Å
85	G	82.9	Confident	94.6	Very high	68 Å²	68	36.2 Å²	36.2	70%	0.701	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-18.1	-179.6	0	0	0	0	0	115.4	F83	F83-G85 PolarHBondContact O-N 2.59Å
86	F	90.8	Very high	94.5	Very high	135 Å²	135	43.6 Å²	43.6	59%	0.592	22%	0.223	S	C	*	.	S	Bend	trans	-87.3	152.5	174.1	-67.3	-88	0	0	0	111.6	T82 F83 M84 K108 A109	T82-F86 HydrophobicContact CG2-CB 3.93Å; F83-F86 HydrophobicContact CB-CD2 3.88Å; F83-F86 HydrophobicContact CB-CE2 4.38Å; F83-F86 PolarHBondContact O-N 3.17Å; F83-F86 VanDerWaalsContact O-N 3.14Å; M84-F86 VanDerWaalsContact C-N 3.3Å; M84-F86 PolarHBondContact O-N 3.06Å; F86-K108 WeakPolarHBondContact O-CA 3.45Å; F86-A109 PolarHBondContact O-N 3.21Å
87	K	93.9	Very high	94.4	Very high	125 Å²	125	50.8 Å²	50.8	54%	0.543	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.7	173.5	-66.2	-176.4	-179	-179	0	109.8	Q105 H107	K87-Q105 HydrophobicContact CB-CB 4.44Å; K87-Q105 HydrophobicContact CD-CB 4.36Å; K87-H107 CarbonylContact C-O 3.01Å; K87-H107 WeakPolarHBondContact CA-O 3.34Å
88	A	95.2	Very high	94.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.4	173.5	0	0	0	0	0	110.4	Q80 T82 H107 V111	Q80-A88 HydrophobicContact CG-CB 4.18Å; Q80-A88 WeakPolarHBondContact O-CB 3.46Å; T82-A88 HydrophobicContact CG2-CB 4.12Å; A88-H107 PolarHBondContact N-O 3.16Å; A88-V111 HydrophobicContact CB-CG2 4.03Å
89	D	95.1	Very high	94	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.9	173.4	-65.6	4.2	0	0	0	110.6	H60 Q80 I91 R103 Q105	H60-D89 PolarHBondContact CE1-O 2.76Å; Q80-D89 HydrophobicContact CG-CB 4.17Å; Q80-D89 PolarHBondContact N-O 2.93Å; Q80-D89 VanDerWaalsContact NE2-N 3.19Å; D89-I91 HydrophobicContact CB-CG1 4.41Å; D89-R103 IonicContact OD2-NH1 2.91Å; D89-Q105 WeakPolarHBondContact OD1-CG 3.03Å; D89-Q105 PolarHBondContact OD1-NE2 2.86Å
90	L	97.3	Very high	94	Very high	3 Å²	3	60 Å²	60	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122	161.8	-177.1	174.5	0	0	0	106.4	S78 I92 L104 V111 L114 L123	S78-L90 CarbonylContact O-C 3.56Å; S78-L90 WeakPolarHBondContact O-CA 3.37Å; L90-I92 HydrophobicContact CD2-CD1 4.07Å; L90-I92 HydrophobicContact CD2-CG1 3.59Å; L90-L104 HydrophobicContact CB-CB 4.27Å; L90-L104 HydrophobicContact CD2-CB 4.36Å; L90-L104 HydrophobicContact CD2-CD1 4.06Å; L90-L104 HydrophobicContact CD2-CG 4.46Å; L90-L104 PolarHBondContact N-O 3.05Å; L90-L104 PolarHBondContact O-N 2.9Å; L90-V111 HydrophobicContact CB-CG2 4.44Å; L90-L114 HydrophobicContact CD1-CD2 3.52Å; L90-L114 HydrophobicContact CG-CD2 3.99Å; L90-L123 HydrophobicContact CD1-CD2 4.05Å; L90-L123 HydrophobicContact CD2-CD2 3.84Å; L90-L123 HydrophobicContact CG-CD2 4.48Å
91	I	98.1	Very high	94.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	179.7	-55.8	179.3	0	0	0	109.3	A77 S78 D89 W93 I100 R103	A77-I91 WeakPolarHBondContact CA-O 3.41Å; S78-I91 PolarHBondContact N-O 2.96Å; S78-I91 PolarHBondContact O-N 2.89Å; D89-I91 HydrophobicContact CB-CG1 4.41Å; I91-W93 HydrophobicContact CB-CZ2 4.38Å; I91-W93 HydrophobicContact CD1-CZ2 4.32Å; I91-W93 HydrophobicContact CG2-CD2 4.07Å; I91-W93 VanDerWaalsContact CG2-CE2 3.42Å; I91-W93 HydrophobicContact CG2-CG 4.46Å; I91-W93 HydrophobicContact CG2-CH2 4.33Å; I91-W93 HydrophobicContact CG2-CZ2 3.57Å; I91-I100 HydrophobicContact CG2-CD1 4.36Å; I91-I100 HydrophobicContact CG2-CG1 4.03Å; I91-I100 HydrophobicContact CG2-CG2 3.97Å; I91-R103 HydrophobicContact CG1-CG 4.39Å
92	I	98.2	Very high	94.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.1	175.4	-48.3	-170.1	0	0	0	107.3	Y75 I76 L90 H101 A102 L104 L123 L139	Y75-I92 HydrophobicContact CD1-CG2 4.21Å; Y75-I92 HydrophobicContact CG-CG2 4.34Å; I76-I92 CarbonylContact O-C 3.5Å; I76-I92 WeakPolarHBondContact O-CA 3.34Å; L90-I92 HydrophobicContact CD2-CD1 4.07Å; L90-I92 HydrophobicContact CD2-CG1 3.59Å; I92-H101 HydrophobicContact CG2-CB 4.45Å; I92-H101 WeakPolarHBondContact O-CA 3.46Å; I92-H101 WeakPolarHBondContact O-CB 3.33Å; I92-H101 PolarHBondContact O-N 2.98Å; I92-A102 HydrophobicContact CB-CB 4.25Å; I92-A102 HydrophobicContact CD1-CB 4.45Å; I92-A102 HydrophobicContact CG1-CB 4.42Å; I92-A102 PolarHBondContact N-O 3.34Å; I92-A102 PolarHBondContact O-N 2.86Å; I92-A102 VanDerWaalsContact O-N 3.14Å; I92-L104 HydrophobicContact CD1-CD1 3.68Å; I92-L104 HydrophobicContact CG1-CD1 4.35Å; I92-L123 HydrophobicContact CD1-CD2 3.73Å; I92-L123 HydrophobicContact CG1-CD2 4.33Å; I92-L139 HydrophobicContact CD1-CD2 3.14Å; I92-L139 HydrophobicContact CG1-CD2 4.46Å; I92-L139 HydrophobicContact CG2-CD2 4.22Å
93	W	98.3	Very high	94.5	Very high	7 Å²	7	64 Å²	64	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.1	-178.3	-57.2	92.3	0	0	0	109.6	L57 H58 Y75 I76 S78 I91 Y95 A99 I100	L57-W93 HydrophobicContact CB-CD2 3.92Å; L57-W93 HydrophobicContact CB-CE3 4.02Å; L57-W93 HydrophobicContact CB-CH2 4.18Å; L57-W93 HydrophobicContact CB-CZ2 4.05Å; L57-W93 HydrophobicContact CB-CZ3 4.13Å; L57-W93 HydrophobicContact CD1-CB 4.1Å; L57-W93 HydrophobicContact CD1-CD2 4.06Å; L57-W93 HydrophobicContact CD1-CE3 4.47Å; L57-W93 HydrophobicContact CD1-CG 3.85Å; L57-W93 HydrophobicContact CD2-CD2 4.46Å; L57-W93 HydrophobicContact CD2-CE3 4.06Å; L57-W93 HydrophobicContact CD2-CZ3 4.5Å; L57-W93 HydrophobicContact CG-CD2 4.38Å; L57-W93 HydrophobicContact CG-CE3 4.41Å; H58-W93 VanDerWaalsContact O-CH2 3.28Å; H58-W93 WeakPolarHBondContact O-CH2 3.15Å; Y75-W93 VanDerWaalsContact CA-O 3.29Å; Y75-W93 WeakPolarHBondContact CA-O 3.47Å; I76-W93 HydrophobicContact CB-CB 4.27Å; I76-W93 PolarHBondContact N-O 3.47Å; I76-W93 PolarHBondContact O-N 2.85Å; S78-W93 PolarHBondContact OG-NE1 3.46Å; I91-W93 HydrophobicContact CB-CZ2 4.38Å; I91-W93 HydrophobicContact CD1-CZ2 4.32Å; I91-W93 HydrophobicContact CG2-CD2 4.07Å; I91-W93 VanDerWaalsContact CG2-CE2 3.42Å; I91-W93 HydrophobicContact CG2-CG 4.46Å; I91-W93 HydrophobicContact CG2-CH2 4.33Å; I91-W93 HydrophobicContact CG2-CZ2 3.57Å; W93-Y95 PolarHBondContact O-N 2.9Å; W93-A99 WeakPolarHBondContact CA-O 3.46Å; W93-I100 HydrophobicContact CD2-CG1 4.41Å; W93-I100 HydrophobicContact CE3-CB 4.5Å; W93-I100 HydrophobicContact CE3-CG1 3.78Å; W93-I100 HydrophobicContact CH2-CD1 3.76Å; W93-I100 HydrophobicContact CH2-CG1 3.27Å; W93-I100 HydrophobicContact CZ2-CD1 4.44Å; W93-I100 HydrophobicContact CZ2-CG1 4.01Å; W93-I100 HydrophobicContact CZ3-CB 4.27Å; W93-I100 HydrophobicContact CZ3-CD1 4.13Å; W93-I100 HydrophobicContact CZ3-CG1 3.18Å
94	D	97.5	Very high	94.9	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.053	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116	162.8	-174.8	-51.9	0	0	0	107.2	E96 K97 R98 A99 H101	D94-E96 PolarHBondContact OD1-N 2.71Å; D94-E96 VanDerWaalsContact OD1-N 3.14Å; D94-K97 HydrophobicContact CB-CB 4.18Å; D94-K97 HydrophobicContact CB-CD 4.48Å; D94-K97 PolarHBondContact OD1-N 3.07Å; D94-K97 IonicContact OD2-NZ 3.62Å; D94-R98 WeakPolarHBondContact O-CA 3.26Å; D94-R98 PolarHBondContact O-N 3.48Å; D94-A99 PolarHBondContact N-O 2.94Å; D94-A99 PolarHBondContact O-N 2.91Å; D94-H101 HydrophobicContact CB-CB 4.35Å
95	Y	96.7	Very high	95.4	Very high	25 Å²	25	55.5 Å²	55.5	10%	0.098	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-50.7	-175.7	178.1	-112.4	0	0	0	110.3	H30 D32 H35 L46 G73 R74 I76 W93 K97 R98	H30-Y95 AromaticContact CD2-CE2 3.97Å; H30-Y95 AromaticContact CE1-CD1 3.47Å; H30-Y95 VanDerWaalsContact CE1-CD1 3.47Å; H30-Y95 WeakPolarHBondContact CE1-CD1 3.49Å; H30-Y95 AromaticContact CE1-CE1 3.2Å; H30-Y95 WeakPolarHBondContact CE1-CE1 3.41Å; H30-Y95 AromaticContact CE1-CZ 3.64Å; H30-Y95 AromaticContact CG-CZ 3.92Å; H30-Y95 AromaticContact ND1-CE1 3.64Å; H30-Y95 AromaticContact ND1-CZ 3.66Å; H30-Y95 AromaticContact NE2-CD1 3.49Å; H30-Y95 WeakPolarHBondContact NE2-CD1 3.34Å; H30-Y95 AromaticContact NE2-CD2 3.96Å; H30-Y95 AromaticContact NE2-CE1 3.6Å; H30-Y95 AromaticContact NE2-CG 3.66Å; H30-Y95 AromaticContact NE2-CZ 3.86Å; D32-Y95 PolarHBondContact OD2-OH 2.81Å; H35-Y95 PolarHBondContact CE1-OH 2.76Å; H35-Y95 PolarHBondContact ND1-OH 2.84Å; L46-Y95 HydrophobicContact CD1-CD2 4.27Å; L46-Y95 HydrophobicContact CD1-CE2 4.02Å; L46-Y95 HydrophobicContact CD2-CE2 4.45Å; G73-Y95 VanDerWaalsContact O-CB 3.25Å; G73-Y95 WeakPolarHBondContact O-CB 3.41Å; R74-Y95 WeakPolarHBondContact O-CB 3.2Å; R74-Y95 PolarHBondContact O-N 3.32Å; I76-Y95 HydrophobicContact CD1-CD2 3.7Å; I76-Y95 HydrophobicContact CD1-CE2 4.38Å; I76-Y95 HydrophobicContact CG1-CD2 4.49Å; W93-Y95 PolarHBondContact O-N 2.9Å; Y95-K97 VanDerWaalsContact C-N 3.3Å; Y95-K97 PolarHBondContact O-N 3.02Å; Y95-R98 VanDerWaalsContact O-CD 3.24Å; Y95-R98 WeakPolarHBondContact O-CD 3.48Å; Y95-R98 PolarHBondContact O-N 2.95Å; Y95-R98 PolarHBondContact O-NH1 3.48Å
96	E	95.6	Very high	95.9	Very high	169 Å²	169	55.7 Å²	55.7	79%	0.79	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.8	-176.3	-171.7	177.4	-175.5	0	0	112.1	D94	D94-E96 PolarHBondContact OD1-N 2.71Å; D94-E96 VanDerWaalsContact OD1-N 3.14Å
97	K	95.6	Very high	96.2	Very high	151 Å²	151	49.3 Å²	49.3	66%	0.657	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.4	-178.6	-62.7	176.9	-174.4	167.8	0	114.5	D94 Y95 A99	D94-K97 HydrophobicContact CB-CB 4.18Å; D94-K97 HydrophobicContact CB-CD 4.48Å; D94-K97 PolarHBondContact OD1-N 3.07Å; D94-K97 IonicContact OD2-NZ 3.62Å; Y95-K97 VanDerWaalsContact C-N 3.3Å; Y95-K97 PolarHBondContact O-N 3.02Å; K97-A99 HydrophobicContact CB-CB 4.14Å; K97-A99 PolarHBondContact O-N 2.74Å
98	R	93.9	Very high	96.1	Very high	76 Å²	76	48.9 Å²	48.9	29%	0.287	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.3	-173.3	-52	-63.5	-165.5	-109.2	4.3	112.9	E55 L57 D94 Y95	E55-R98 IonicContact OE1-CZ 2.82Å; E55-R98 IonicContact OE1-NE 3.71Å; E55-R98 PolarHBondContact OE1-NE 2.77Å; E55-R98 IonicContact OE1-NH2 3.57Å; E55-R98 PolarHBondContact OE1-NH2 3.07Å; E55-R98 VanDerWaalsContact OE2-CD 3.31Å; E55-R98 WeakPolarHBondContact OE2-CD 3.25Å; E55-R98 IonicContact OE2-CZ 3.53Å; E55-R98 IonicContact OE2-NE 3.36Å; E55-R98 PolarHBondContact OE2-NE 2.9Å; E55-R98 IonicContact OE2-NH2 3.04Å; L57-R98 HydrophobicContact CD2-CB 4.34Å; D94-R98 WeakPolarHBondContact O-CA 3.26Å; D94-R98 PolarHBondContact O-N 3.48Å; Y95-R98 VanDerWaalsContact O-CD 3.24Å; Y95-R98 WeakPolarHBondContact O-CD 3.48Å; Y95-R98 PolarHBondContact O-N 2.95Å; Y95-R98 PolarHBondContact O-NH1 3.48Å
99	A	95.6	Very high	96	Very high	44 Å²	44	49 Å²	49	36%	0.364	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	157	-170.3	0	0	0	0	0	112.3	W93 D94 K97 H101	W93-A99 WeakPolarHBondContact CA-O 3.46Å; D94-A99 PolarHBondContact N-O 2.94Å; D94-A99 PolarHBondContact O-N 2.91Å; K97-A99 HydrophobicContact CB-CB 4.14Å; K97-A99 PolarHBondContact O-N 2.74Å; A99-H101 PolarHBondContact O-N 3.13Å
100	I	96.8	Very high	96.1	Very high	72 Å²	72	51.5 Å²	51.5	37%	0.369	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	116	175.2	-61	178.3	0	0	0	108.8	I91 W93	I91-I100 HydrophobicContact CG2-CD1 4.36Å; I91-I100 HydrophobicContact CG2-CG1 4.03Å; I91-I100 HydrophobicContact CG2-CG2 3.97Å; W93-I100 HydrophobicContact CD2-CG1 4.41Å; W93-I100 HydrophobicContact CE3-CB 4.5Å; W93-I100 HydrophobicContact CE3-CG1 3.78Å; W93-I100 HydrophobicContact CH2-CD1 3.76Å; W93-I100 HydrophobicContact CH2-CG1 3.27Å; W93-I100 HydrophobicContact CZ2-CD1 4.44Å; W93-I100 HydrophobicContact CZ2-CG1 4.01Å; W93-I100 HydrophobicContact CZ3-CB 4.27Å; W93-I100 HydrophobicContact CZ3-CD1 4.13Å; W93-I100 HydrophobicContact CZ3-CG1 3.18Å
101	H	96.8	Very high	96	Very high	38 Å²	38	51.3 Å²	51.3	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-45.4	169.6	177.5	65.5	0	0	0	111.3	Y75 I92 D94 A99 L139 K142	Y75-H101 HydrophobicContact CE1-CB 4.4Å; Y75-H101 AromaticContact CE1-CD2 3.94Å; Y75-H101 AromaticContact CE1-CG 3.94Å; I92-H101 HydrophobicContact CG2-CB 4.45Å; I92-H101 WeakPolarHBondContact O-CA 3.46Å; I92-H101 WeakPolarHBondContact O-CB 3.33Å; I92-H101 PolarHBondContact O-N 2.98Å; D94-H101 HydrophobicContact CB-CB 4.35Å; A99-H101 PolarHBondContact O-N 3.13Å; H101-L139 PolarHBondContact NE2-O 3.07Å; H101-K142 WeakPolarHBondContact O-CE 3.44Å; H101-K142 PolarHBondContact O-NZ 2.78Å
102	A	96.9	Very high	95.9	Very high	8 Å²	8	53.6 Å²	53.6	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	147.5	179.1	0	0	0	0	0	112	I92 L104 K142	I92-A102 HydrophobicContact CB-CB 4.25Å; I92-A102 HydrophobicContact CD1-CB 4.45Å; I92-A102 HydrophobicContact CG1-CB 4.42Å; I92-A102 PolarHBondContact N-O 3.34Å; I92-A102 PolarHBondContact O-N 2.86Å; I92-A102 VanDerWaalsContact O-N 3.14Å; A102-L104 HydrophobicContact CB-CD2 4.27Å; A102-L104 HydrophobicContact CB-CG 4.38Å; A102-K142 HydrophobicContact CB-CB 4.28Å; A102-K142 HydrophobicContact CB-CD 4.03Å; A102-K142 HydrophobicContact CB-CG 4.09Å
103	R	97.1	Very high	95.9	Very high	116 Å²	116	54 Å²	54	44%	0.438	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.9	167.3	-177.8	175.9	-64.9	-159.8	-3.7	108.1	G59 D89 I91	G59-R103 PolarHBondContact O-NH2 2.91Å; D89-R103 IonicContact OD2-NH1 2.91Å; I91-R103 HydrophobicContact CG1-CG 4.39Å
104	L	96.3	Very high	95.8	Very high	9 Å²	9	54 Å²	54	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	-172.9	-53.2	177.2	0	0	0	109.2	L90 I92 A102 W137 K142	L90-L104 HydrophobicContact CB-CB 4.27Å; L90-L104 HydrophobicContact CD2-CB 4.36Å; L90-L104 HydrophobicContact CD2-CD1 4.06Å; L90-L104 HydrophobicContact CD2-CG 4.46Å; L90-L104 PolarHBondContact N-O 3.05Å; L90-L104 PolarHBondContact O-N 2.9Å; I92-L104 HydrophobicContact CD1-CD1 3.68Å; I92-L104 HydrophobicContact CG1-CD1 4.35Å; A102-L104 HydrophobicContact CB-CD2 4.27Å; A102-L104 HydrophobicContact CB-CG 4.38Å; L104-W137 HydrophobicContact CB-CE3 4.2Å; L104-W137 HydrophobicContact CB-CH2 3.89Å; L104-W137 HydrophobicContact CB-CZ2 4.29Å; L104-W137 HydrophobicContact CB-CZ3 3.86Å; L104-W137 HydrophobicContact CD1-CB 4.19Å; L104-W137 HydrophobicContact CD1-CD2 3.7Å; L104-W137 HydrophobicContact CD1-CE3 3.66Å; L104-W137 HydrophobicContact CD1-CG 3.94Å; L104-W137 HydrophobicContact CD1-CZ3 4.19Å; L104-W137 HydrophobicContact CD2-CE3 4.1Å; L104-W137 HydrophobicContact CD2-CZ3 4.1Å; L104-W137 HydrophobicContact CG-CE3 4.2Å; L104-W137 HydrophobicContact CG-CZ3 4.26Å; L104-K142 VanDerWaalsContact CD2-O 3.27Å; L104-K142 WeakPolarHBondContact CD2-O 3.3Å
105	Q	94.6	Very high	95.9	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	107.8	-176.2	-73.2	179	-9.8	0	0	110.8	K87 D89	K87-Q105 HydrophobicContact CB-CB 4.44Å; K87-Q105 HydrophobicContact CD-CB 4.36Å; D89-Q105 WeakPolarHBondContact OD1-CG 3.03Å; D89-Q105 PolarHBondContact OD1-NE2 2.86Å
106	L	94.4	Very high	95.9	Very high	72 Å²	72	53 Å²	53	38%	0.377	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	-45	175.2	-158.7	159.1	0	0	0	111.9	V135 W137 A144	L106-V135 HydrophobicContact CD1-CG1 4.22Å; L106-V135 HydrophobicContact CD1-CG2 4.35Å; L106-V135 HydrophobicContact CD2-CG2 3.98Å; L106-W137 HydrophobicContact CB-CH2 3.63Å; L106-W137 HydrophobicContact CB-CZ2 3.85Å; L106-W137 HydrophobicContact CD1-CH2 4.07Å; L106-W137 HydrophobicContact CD1-CZ2 4.45Å; L106-A144 HydrophobicContact CD1-CB 4.09Å
107	H	95.7	Very high	96	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.2	177.1	-66.8	-56.7	0	0	0	112.3	K87 A88 V111 S125 G127 D131 S133	K87-H107 CarbonylContact C-O 3.01Å; K87-H107 WeakPolarHBondContact CA-O 3.34Å; A88-H107 PolarHBondContact N-O 3.16Å; H107-V111 HydrophobicContact CB-CG2 4.31Å; H107-S125 PolarHBondContact CD2-OG 3.49Å; H107-S125 WeakPolarHBondContact NE2-CB 3.3Å; H107-S125 PolarHBondContact NE2-O 3.16Å; H107-S125 PolarHBondContact NE2-OG 3.22Å; H107-G127 PolarHBondContact CE1-N 2.91Å; H107-G127 VanDerWaalsContact ND1-CA 3.26Å; H107-G127 WeakPolarHBondContact ND1-CA 3.4Å; H107-G127 PolarHBondContact ND1-N 3.08Å; H107-D131 IonicContact CE1-OD2 2.83Å; H107-D131 IonicContact CG-OD2 2.94Å; H107-D131 IonicContact ND1-OD2 3.66Å; H107-D131 PolarHBondContact ND1-OD2 3.01Å; H107-S133 PolarHBondContact CE1-O 2.77Å; H107-S133 VanDerWaalsContact CE1-O 3.32Å; H107-S133 PolarHBondContact CE1-OG 3.39Å; H107-S133 PolarHBondContact ND1-OG 3Å
108	K	93.1	Very high	96.1	Very high	116 Å²	116	39.1 Å²	39.1	50%	0.504	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.1	172.6	-63.3	177.4	-177.2	175.4	0	110.6	F86 K110 D131	F86-K108 WeakPolarHBondContact O-CA 3.45Å; K108-K110 PolarHBondContact O-N 2.99Å; K108-D131 HydrophobicContact CB-CB 4.41Å
109	A	93.3	Very high	96.1	Very high	4 Å²	4	38 Å²	38	3%	0.033	19%	0.19	C	C	.	.	S	Bend	trans	61.4	-55.6	176.5	0	0	0	0	0	115.5	V81 T82 F86 D130	V81-A109 CarbonylContact C-O 3.54Å; V81-A109 WeakPolarHBondContact CA-O 3.38Å; T82-A109 WeakPolarHBondContact CG2-O 3.33Å; T82-A109 PolarHBondContact N-O 2.91Å; F86-A109 PolarHBondContact O-N 3.21Å; A109-D130 HydrophobicContact CB-CB 4.3Å; A109-D130 WeakPolarHBondContact CB-OD2 3.46Å
110	K	95.6	Very high	96.1	Very high	60 Å²	60	37.1 Å²	37.1	26%	0.261	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-146.6	142.3	-173.9	-178.4	178.6	177.2	-156.2	0	112.1	V81 K108 E112 G128	V81-K110 HydrophobicContact CB-CB 4.3Å; V81-K110 HydrophobicContact CB-CD 4.46Å; V81-K110 HydrophobicContact CB-CG 4.06Å; V81-K110 HydrophobicContact CG2-CB 4.07Å; V81-K110 HydrophobicContact CG2-CD 4.38Å; V81-K110 HydrophobicContact CG2-CG 4.22Å; K108-K110 PolarHBondContact O-N 2.99Å; K110-E112 VanDerWaalsContact CD-OE2 3.3Å; K110-E112 WeakPolarHBondContact CD-OE2 3.27Å; K110-E112 WeakPolarHBondContact CE-OE2 3.28Å; K110-E112 IonicContact NZ-OE1 2.85Å; K110-E112 PolarHBondContact NZ-OE1 3Å; K110-E112 IonicContact NZ-OE2 3.87Å; K110-E112 PolarHBondContact NZ-OE2 3.42Å; K110-G128 PolarHBondContact O-N 2.82Å
111	V	97.1	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.3	159.5	-174	0	0	0	0	107.8	S65 C66 Q80 A88 L90 H107 L114	S65-V111 WeakPolarHBondContact CB-O 3.36Å; S65-V111 PolarHBondContact OG-O 2.88Å; C66-V111 PolarHBondContact SG-O 3.18Å; Q80-V111 PolarHBondContact O-N 2.96Å; Q80-V111 VanDerWaalsContact O-N 3.09Å; A88-V111 HydrophobicContact CB-CG2 4.03Å; L90-V111 HydrophobicContact CB-CG2 4.44Å; H107-V111 HydrophobicContact CB-CG2 4.31Å; V111-L114 HydrophobicContact CG1-CD1 4.46Å; V111-L114 HydrophobicContact CG1-CD2 3.79Å; V111-L114 HydrophobicContact CG1-CG 4.02Å
112	E	95.8	Very high	96.1	Very high	47 Å²	47	38.5 Å²	38.5	22%	0.22	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-41.4	-174	-166.5	66.7	-142.3	0	0	112.2	K110 L126	K110-E112 VanDerWaalsContact CD-OE2 3.3Å; K110-E112 WeakPolarHBondContact CD-OE2 3.27Å; K110-E112 WeakPolarHBondContact CE-OE2 3.28Å; K110-E112 IonicContact NZ-OE1 2.85Å; K110-E112 PolarHBondContact NZ-OE1 3Å; K110-E112 IonicContact NZ-OE2 3.87Å; K110-E112 PolarHBondContact NZ-OE2 3.42Å; E112-L126 HydrophobicContact CB-CB 4.47Å; E112-L126 HydrophobicContact CB-CD2 4.12Å; E112-L126 HydrophobicContact CB-CG 4.02Å; E112-L126 HydrophobicContact CG-CD2 4.18Å; E112-L126 PolarHBondContact N-O 3.31Å
113	G	96.4	Very high	96.2	Very high	9 Å²	9	38.1 Å²	38.1	9%	0.093	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.7	-174.1	0	0	0	0	0	112.5	S125 L126	G113-S125 WeakPolarHBondContact O-CA 3.48Å; G113-L126 PolarHBondContact N-O 3.3Å; G113-L126 PolarHBondContact O-N 3.36Å
114	L	98	Very high	96.2	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.3	-175.5	-66.8	172.7	0	0	0	109.5	T68 A77 L90 V111 L123 V124	T68-L114 WeakPolarHBondContact CB-O 3.18Å; T68-L114 HydrophobicContact CG2-CB 3.51Å; T68-L114 WeakPolarHBondContact CG2-O 3.36Å; A77-L114 HydrophobicContact CB-CD1 4.06Å; L90-L114 HydrophobicContact CD1-CD2 3.52Å; L90-L114 HydrophobicContact CG-CD2 3.99Å; V111-L114 HydrophobicContact CG1-CD1 4.46Å; V111-L114 HydrophobicContact CG1-CD2 3.79Å; V111-L114 HydrophobicContact CG1-CG 4.02Å; L114-L123 HydrophobicContact CB-CD1 4.49Å; L114-L123 HydrophobicContact CD2-CD2 4.3Å; L114-V124 WeakPolarHBondContact CA-O 3.45Å
115	A	97.9	Very high	96.3	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.6	172.9	0	0	0	0	0	111.6	L123 V124 Y163	A115-L123 WeakPolarHBondContact O-CD1 3.41Å; A115-V124 HydrophobicContact CB-CG2 3.76Å; A115-V124 PolarHBondContact N-O 2.85Å; A115-V124 WeakPolarHBondContact O-CG2 3.35Å; A115-V124 PolarHBondContact O-N 3.04Å; A115-Y163 HydrophobicContact CB-CD2 4.23Å
116	F	98.3	Very high	96.5	Very high	11 Å²	11	27.5 Å²	27.5	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.7	176	-77.2	-78.5	0	0	0	111.3	T68 S70 A77 L123 L139 Y163	T68-F116 HydrophobicContact CG2-CD2 3.75Å; T68-F116 HydrophobicContact CG2-CE2 3.76Å; S70-F116 VanDerWaalsContact CA-CD2 3.49Å; S70-F116 VanDerWaalsContact N-CD2 3.31Å; A77-F116 HydrophobicContact CB-CE2 3.66Å; A77-F116 HydrophobicContact CB-CZ 3.53Å; F116-L123 HydrophobicContact CD1-CB 4.3Å; F116-L123 HydrophobicContact CD1-CD1 3.75Å; F116-L123 HydrophobicContact CD2-CD1 4.05Å; F116-L123 HydrophobicContact CE1-CB 4.36Å; F116-L123 HydrophobicContact CE1-CD1 3.8Å; F116-L123 HydrophobicContact CE2-CD1 4.1Å; F116-L123 HydrophobicContact CG-CD1 3.89Å; F116-L123 HydrophobicContact CZ-CD1 3.99Å; F116-L139 HydrophobicContact CD1-CD1 3.74Å; F116-L139 HydrophobicContact CE1-CD1 3.63Å; F116-L139 HydrophobicContact CE1-CD2 4.22Å; F116-Y163 VanDerWaalsContact C-CD2 3.47Å; F116-Y163 WeakPolarHBondContact O-CB 3.43Å; F116-Y163 WeakPolarHBondContact O-CD2 3.46Å
117	S	97.6	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.			trans	-66	152.6	165.5	62.1	0	0	0	0	111	N119 D120 K121 Y122	S117-N119 PolarHBondContact O-N 3.43Å; S117-N119 VanDerWaalsContact O-N 3.13Å; S117-N119 PolarHBondContact OG-OD1 3.1Å; S117-D120 PolarHBondContact O-N 2.53Å; S117-K121 PolarHBondContact OG-N 3.48Å; S117-Y122 PolarHBondContact N-O 3.18Å; S117-Y122 PolarHBondContact OG-N 3.31Å; S117-Y122 PolarHBondContact OG-O 2.82Å
118	P	96.3	Very high	96.4	Very high	28 Å²	28	24 Å²	24	18%	0.182	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.3	178.5	-31.5	37.7	0	0	0	115.9	K71 T164 N165 D168	K71-P118 HydrophobicContact CD-CB 4.26Å; P118-T164 WeakPolarHBondContact CG-O 3.1Å; P118-N165 WeakPolarHBondContact CB-O 3.27Å; P118-N165 VanDerWaalsContact CG-O 3.3Å; P118-N165 WeakPolarHBondContact CG-O 3.45Å; P118-D168 WeakPolarHBondContact CD-OD1 3.3Å
119	N	95.6	Very high	96.1	Very high	52 Å²	52	24.6 Å²	24.6	28%	0.278	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.8	179.5	70.6	7.6	0	0	0	115.2	S117 K121 D168	S117-N119 PolarHBondContact O-N 3.43Å; S117-N119 VanDerWaalsContact O-N 3.13Å; S117-N119 PolarHBondContact OG-OD1 3.1Å; N119-K121 HydrophobicContact CB-CG 4.46Å; N119-K121 PolarHBondContact O-N 3.3Å; N119-K121 VanDerWaalsContact O-N 3.1Å; N119-K121 VanDerWaalsContact OD1-CB 3.27Å; N119-K121 WeakPolarHBondContact OD1-CB 3.3Å; N119-K121 PolarHBondContact OD1-N 3.12Å; N119-D168 VanDerWaalsContact CB-OD1 3.23Å; N119-D168 WeakPolarHBondContact CB-OD1 3.46Å; N119-D168 WeakPolarHBondContact CB-OD2 3.42Å; N119-D168 VanDerWaalsContact CG-OD2 3.31Å; N119-D168 PolarHBondContact N-OD1 2.67Å; N119-D168 PolarHBondContact ND2-OD1 2.64Å; N119-D168 PolarHBondContact ND2-OD2 2.77Å; N119-D168 PolarHBondContact OD1-OD1 3.19Å
120	D	95.3	Very high	95.7	Very high	25 Å²	25	28.8 Å²	28.8	13%	0.134	14%	0.142	C	C	.	.	S	Bend	trans	56.3	22.3	-177.5	-45.4	-42.3	0	0	0	115.6	S70 K71 S72 Y75 S117 L139	S70-D120 VanDerWaalsContact CB-OD1 3.31Å; S70-D120 WeakPolarHBondContact CB-OD1 3.36Å; K71-D120 PolarHBondContact N-OD1 3.13Å; S72-D120 WeakPolarHBondContact CB-OD2 3.43Å; S72-D120 PolarHBondContact OG-OD2 3.26Å; Y75-D120 HydrophobicContact CD2-CB 4.3Å; Y75-D120 HydrophobicContact CE2-CB 4.5Å; S117-D120 PolarHBondContact O-N 2.53Å; D120-L139 WeakPolarHBondContact O-CD1 3.35Å
121	K	95.9	Very high	95.5	Very high	110 Å²	110	27.8 Å²	27.8	48%	0.478	14%	0.14	S	C	.	.	S	Bend	trans	-92	-28.5	174.7	-62.6	-173	-179.9	-177.1	0	112.7	S117 N119 L139	S117-K121 PolarHBondContact OG-N 3.48Å; N119-K121 HydrophobicContact CB-CG 4.46Å; N119-K121 PolarHBondContact O-N 3.3Å; N119-K121 VanDerWaalsContact O-N 3.1Å; N119-K121 VanDerWaalsContact OD1-CB 3.27Å; N119-K121 WeakPolarHBondContact OD1-CB 3.3Å; N119-K121 PolarHBondContact OD1-N 3.12Å; K121-L139 PolarHBondContact O-N 2.79Å
122	Y	97.4	Very high	95.2	Very high	29 Å²	29	29 Å²	29	11%	0.114	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	-176.1	-47.8	-61.7	0	0	0	111.6	S117 W137 I145 D168 L184 L186	S117-Y122 PolarHBondContact N-O 3.18Å; S117-Y122 PolarHBondContact OG-N 3.31Å; S117-Y122 PolarHBondContact OG-O 2.82Å; Y122-W137 VanDerWaalsContact CA-O 3.25Å; Y122-W137 WeakPolarHBondContact CA-O 3.45Å; Y122-I145 HydrophobicContact CD1-CD1 3.65Å; Y122-I145 HydrophobicContact CE1-CD1 3.71Å; Y122-D168 HydrophobicContact CD2-CB 4.43Å; Y122-D168 HydrophobicContact CE2-CB 4.47Å; Y122-L184 HydrophobicContact CD2-CD2 4.34Å; Y122-L186 HydrophobicContact CE1-CD2 4.07Å; Y122-L186 HydrophobicContact CE2-CD1 4.19Å; Y122-L186 WeakPolarHBondContact OH-CD1 3.24Å
123	L	98.2	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.2	169.4	178.4	75.5	0	0	0	107.2	T68 A77 L90 I92 L114 A115 F116 W137 L139	T68-L123 HydrophobicContact CG2-CD1 4.46Å; A77-L123 HydrophobicContact CB-CD1 4.05Å; A77-L123 HydrophobicContact CB-CD2 4Å; L90-L123 HydrophobicContact CD1-CD2 4.05Å; L90-L123 HydrophobicContact CD2-CD2 3.84Å; L90-L123 HydrophobicContact CG-CD2 4.48Å; I92-L123 HydrophobicContact CD1-CD2 3.73Å; I92-L123 HydrophobicContact CG1-CD2 4.33Å; L114-L123 HydrophobicContact CB-CD1 4.49Å; L114-L123 HydrophobicContact CD2-CD2 4.3Å; A115-L123 WeakPolarHBondContact O-CD1 3.41Å; F116-L123 HydrophobicContact CD1-CB 4.3Å; F116-L123 HydrophobicContact CD1-CD1 3.75Å; F116-L123 HydrophobicContact CD2-CD1 4.05Å; F116-L123 HydrophobicContact CE1-CB 4.36Å; F116-L123 HydrophobicContact CE1-CD1 3.8Å; F116-L123 HydrophobicContact CE2-CD1 4.1Å; F116-L123 HydrophobicContact CG-CD1 3.89Å; F116-L123 HydrophobicContact CZ-CD1 3.99Å; L123-W137 HydrophobicContact CB-CB 4.34Å; L123-W137 PolarHBondContact N-O 3.01Å; L123-W137 VanDerWaalsContact N-O 3.1Å; L123-W137 VanDerWaalsContact O-CD1 3.32Å; L123-W137 PolarHBondContact O-N 2.98Å; L123-L139 HydrophobicContact CB-CD1 4.47Å; L123-L139 HydrophobicContact CB-CD2 4.14Å; L123-L139 HydrophobicContact CB-CG 4.45Å
124	V	98.3	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.4	166.1	-67.7	0	0	0	0	109.1	L114 A115 V135 V136 I161 Y163 F171	L114-V124 WeakPolarHBondContact CA-O 3.45Å; A115-V124 HydrophobicContact CB-CG2 3.76Å; A115-V124 PolarHBondContact N-O 2.85Å; A115-V124 WeakPolarHBondContact O-CG2 3.35Å; A115-V124 PolarHBondContact O-N 3.04Å; V124-V135 WeakPolarHBondContact CA-O 3.44Å; V124-V136 HydrophobicContact CG1-CG1 4.45Å; V124-V136 HydrophobicContact CG1-CG2 3.97Å; V124-I161 HydrophobicContact CB-CD1 3.75Å; V124-I161 HydrophobicContact CG2-CD1 3.48Å; V124-I161 VanDerWaalsContact CG2-CD1 3.48Å; V124-I161 HydrophobicContact CG2-CG1 3.85Å; V124-Y163 HydrophobicContact CB-CE2 4.13Å; V124-Y163 HydrophobicContact CG1-CD2 4.27Å; V124-Y163 HydrophobicContact CG1-CE2 3.46Å; V124-Y163 VanDerWaalsContact CG1-CE2 3.46Å; V124-Y163 HydrophobicContact CG2-CD2 3.68Å; V124-Y163 HydrophobicContact CG2-CE2 3.73Å; V124-F171 HydrophobicContact CG1-CD1 3.81Å; V124-F171 HydrophobicContact CG1-CD2 4.25Å; V124-F171 HydrophobicContact CG1-CE1 3.77Å; V124-F171 HydrophobicContact CG1-CE2 4.22Å; V124-F171 HydrophobicContact CG1-CG 4.05Å; V124-F171 HydrophobicContact CG1-CZ 3.98Å; V124-F171 HydrophobicContact CG2-CD2 4.44Å; V124-F171 HydrophobicContact CG2-CG 4.46Å
125	S	98.3	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	172.3	64.3	0	0	0	0	110.7	H107 G113 I134 V135 W137	H107-S125 PolarHBondContact CD2-OG 3.49Å; H107-S125 WeakPolarHBondContact NE2-CB 3.3Å; H107-S125 PolarHBondContact NE2-O 3.16Å; H107-S125 PolarHBondContact NE2-OG 3.22Å; G113-S125 WeakPolarHBondContact O-CA 3.48Å; S125-I134 CarbonylContact O-C 3.58Å; S125-I134 VanDerWaalsContact O-CA 3.29Å; S125-I134 WeakPolarHBondContact O-CA 3.46Å; S125-V135 PolarHBondContact N-O 2.92Å; S125-V135 PolarHBondContact O-N 2.97Å; S125-W137 PolarHBondContact OG-NE1 3.49Å
126	L	97.7	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.3	174.4	174.3	64.6	0	0	0	108.9	E112 G113 I134 A150 C158 I161	E112-L126 HydrophobicContact CB-CB 4.47Å; E112-L126 HydrophobicContact CB-CD2 4.12Å; E112-L126 HydrophobicContact CB-CG 4.02Å; E112-L126 HydrophobicContact CG-CD2 4.18Å; E112-L126 PolarHBondContact N-O 3.31Å; G113-L126 PolarHBondContact N-O 3.3Å; G113-L126 PolarHBondContact O-N 3.36Å; L126-I134 HydrophobicContact CD1-CD1 4.48Å; L126-I134 HydrophobicContact CD1-CG1 3.76Å; L126-A150 HydrophobicContact CD1-CB 3.62Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; L126-C158 HydrophobicContact CD2-CB 4.02Å; L126-I161 HydrophobicContact CB-CB 4.4Å; L126-I161 HydrophobicContact CB-CG2 4.01Å
127	G	95.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	149.9	171.9	0	0	0	0	0	111.7	H107 S133	H107-G127 PolarHBondContact CE1-N 2.91Å; H107-G127 VanDerWaalsContact ND1-CA 3.26Å; H107-G127 WeakPolarHBondContact ND1-CA 3.4Å; H107-G127 PolarHBondContact ND1-N 3.08Å; G127-S133 PolarHBondContact N-O 2.81Å
128	G	91.7	Very high	95.2	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	15%	0.15	C	C	.	.			trans	-64.6	-175.5	175.9	0	0	0	0	0	113.4	K110 D130 D131 G132	K110-G128 PolarHBondContact O-N 2.82Å; G128-D130 PolarHBondContact O-N 2.81Å; G128-D130 VanDerWaalsContact O-N 3.08Å; G128-D131 PolarHBondContact O-N 3.38Å; G128-G132 PolarHBondContact O-N 3.36Å
129	Q	88.4	Confident	95.1	Very high	128 Å²	128	27.4 Å²	27.4	60%	0.598	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.7	-173.3	-175.2	167.1	5.3	0	0	114.5	H157	Q129-H157 PolarHBondContact NE2-CD2 3.35Å; Q129-H157 VanDerWaalsContact NE2-CD2 3.3Å; Q129-H157 PolarHBondContact NE2-NE2 3.12Å
130	D	85.1	Confident	95.1	Very high	92 Å²	92	32.8 Å²	32.8	49%	0.492	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.4	-177.8	-58.6	-43.1	0	0	0	114	M84 A109 G128	M84-D130 VanDerWaalsContact CE-OD1 3.31Å; M84-D130 WeakPolarHBondContact CE-OD1 3.07Å; M84-D130 WeakPolarHBondContact CE-OD2 3.37Å; A109-D130 HydrophobicContact CB-CB 4.3Å; A109-D130 WeakPolarHBondContact CB-OD2 3.46Å; G128-D130 PolarHBondContact O-N 2.81Å; G128-D130 VanDerWaalsContact O-N 3.08Å
131	D	89.8	Confident	95.1	Very high	39 Å²	39	34.6 Å²	34.6	21%	0.209	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-48.4	-178.3	-175.5	74.5	0	0	0	111.5	H107 K108 G128 S133	H107-D131 IonicContact CE1-OD2 2.83Å; H107-D131 IonicContact CG-OD2 2.94Å; H107-D131 IonicContact ND1-OD2 3.66Å; H107-D131 PolarHBondContact ND1-OD2 3.01Å; K108-D131 HydrophobicContact CB-CB 4.41Å; G128-D131 PolarHBondContact O-N 3.38Å; D131-S133 PolarHBondContact O-N 2.98Å; D131-S133 WeakPolarHBondContact OD2-CB 3.31Å; D131-S133 PolarHBondContact OD2-N 2.9Å; D131-S133 PolarHBondContact OD2-OG 3.16Å
132	G	91.1	Very high	95.1	Very high	24 Å²	24	34 Å²	34	25%	0.247	18%	0.178	C	C	.	.			trans	60	18.9	173.3	0	0	0	0	0	114.8	G128 A150	G128-G132 PolarHBondContact O-N 3.36Å; G132-A150 VanDerWaalsContact O-CB 3.24Å; G132-A150 WeakPolarHBondContact O-CB 3.45Å; G132-A150 PolarHBondContact O-N 2.82Å
133	S	94.9	Very high	95	Very high	21 Å²	21	38.7 Å²	38.7	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.8	-178.2	80.5	0	0	0	0	112	H107 G127 D131	H107-S133 PolarHBondContact CE1-O 2.77Å; H107-S133 VanDerWaalsContact CE1-O 3.32Å; H107-S133 PolarHBondContact CE1-OG 3.39Å; H107-S133 PolarHBondContact ND1-OG 3Å; G127-S133 PolarHBondContact N-O 2.81Å; D131-S133 PolarHBondContact O-N 2.98Å; D131-S133 WeakPolarHBondContact OD2-CB 3.31Å; D131-S133 PolarHBondContact OD2-N 2.9Å; D131-S133 PolarHBondContact OD2-OG 3.16Å
134	I	97.5	Very high	94.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.6	166.3	-65.8	169.6	0	0	0	107.8	S125 L126 G147 S148 A150 I161 F171 W182 I191	S125-I134 CarbonylContact O-C 3.58Å; S125-I134 VanDerWaalsContact O-CA 3.29Å; S125-I134 WeakPolarHBondContact O-CA 3.46Å; L126-I134 HydrophobicContact CD1-CD1 4.48Å; L126-I134 HydrophobicContact CD1-CG1 3.76Å; I134-G147 CarbonylContact O-C 3.53Å; I134-G147 WeakPolarHBondContact O-CA 3.15Å; I134-S148 PolarHBondContact N-O 3.13Å; I134-S148 PolarHBondContact O-N 3.19Å; I134-A150 HydrophobicContact CD1-CB 3.89Å; I134-A150 HydrophobicContact CG1-CB 3.76Å; I134-I161 HydrophobicContact CD1-CD1 4.09Å; I134-I161 HydrophobicContact CG1-CD1 4.19Å; I134-I161 HydrophobicContact CG2-CD1 3.86Å; I134-F171 HydrophobicContact CD1-CE2 4.3Å; I134-F171 HydrophobicContact CG2-CE2 3.86Å; I134-F171 HydrophobicContact CG2-CZ 4.03Å; I134-W182 HydrophobicContact CD1-CZ2 3.74Å; I134-I191 HydrophobicContact CB-CD1 4.25Å; I134-I191 HydrophobicContact CG2-CD1 4.01Å
135	V	98.1	Very high	94.9	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.3	177	-177.6	0	0	0	0	109.4	L106 V124 S125 W137 A144	L106-V135 HydrophobicContact CD1-CG1 4.22Å; L106-V135 HydrophobicContact CD1-CG2 4.35Å; L106-V135 HydrophobicContact CD2-CG2 3.98Å; V124-V135 WeakPolarHBondContact CA-O 3.44Å; S125-V135 PolarHBondContact N-O 2.92Å; S125-V135 PolarHBondContact O-N 2.97Å; V135-W137 HydrophobicContact CB-CZ2 4.26Å; V135-W137 HydrophobicContact CG1-CD2 4Å; V135-W137 VanDerWaalsContact CG1-CE2 3.48Å; V135-W137 HydrophobicContact CG1-CG 4.46Å; V135-W137 HydrophobicContact CG1-CH2 4.38Å; V135-W137 HydrophobicContact CG1-CZ2 3.7Å; V135-A144 HydrophobicContact CG1-CB 3.94Å
136	V	98.2	Very high	94.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.6	172.3	-171	0	0	0	0	109	V124 I145 C146 F171 L184 I191	V124-V136 HydrophobicContact CG1-CG1 4.45Å; V124-V136 HydrophobicContact CG1-CG2 3.97Å; V136-I145 HydrophobicContact CB-CB 4.49Å; V136-I145 HydrophobicContact CG1-CD1 4.03Å; V136-I145 PolarHBondContact O-N 2.53Å; V136-C146 PolarHBondContact N-O 2.9Å; V136-F171 HydrophobicContact CG2-CE1 4.41Å; V136-L184 HydrophobicContact CB-CD1 4.48Å; V136-L184 HydrophobicContact CG1-CD1 4.18Å; V136-L184 HydrophobicContact CG1-CD2 4.07Å; V136-L184 HydrophobicContact CG2-CD1 4.21Å; V136-I191 HydrophobicContact CG2-CD1 4.46Å; V136-I191 HydrophobicContact CG2-CG2 3.54Å
137	W	98.2	Very high	94.6	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.045	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.7	-179.3	-54.2	91.3	0	0	0	110.6	L104 L106 Y122 L123 S125 V135 A144	L104-W137 HydrophobicContact CB-CE3 4.2Å; L104-W137 HydrophobicContact CB-CH2 3.89Å; L104-W137 HydrophobicContact CB-CZ2 4.29Å; L104-W137 HydrophobicContact CB-CZ3 3.86Å; L104-W137 HydrophobicContact CD1-CB 4.19Å; L104-W137 HydrophobicContact CD1-CD2 3.7Å; L104-W137 HydrophobicContact CD1-CE3 3.66Å; L104-W137 HydrophobicContact CD1-CG 3.94Å; L104-W137 HydrophobicContact CD1-CZ3 4.19Å; L104-W137 HydrophobicContact CD2-CE3 4.1Å; L104-W137 HydrophobicContact CD2-CZ3 4.1Å; L104-W137 HydrophobicContact CG-CE3 4.2Å; L104-W137 HydrophobicContact CG-CZ3 4.26Å; L106-W137 HydrophobicContact CB-CH2 3.63Å; L106-W137 HydrophobicContact CB-CZ2 3.85Å; L106-W137 HydrophobicContact CD1-CH2 4.07Å; L106-W137 HydrophobicContact CD1-CZ2 4.45Å; Y122-W137 VanDerWaalsContact CA-O 3.25Å; Y122-W137 WeakPolarHBondContact CA-O 3.45Å; L123-W137 HydrophobicContact CB-CB 4.34Å; L123-W137 PolarHBondContact N-O 3.01Å; L123-W137 VanDerWaalsContact N-O 3.1Å; L123-W137 VanDerWaalsContact O-CD1 3.32Å; L123-W137 PolarHBondContact O-N 2.98Å; S125-W137 PolarHBondContact OG-NE1 3.49Å; V135-W137 HydrophobicContact CB-CZ2 4.26Å; V135-W137 HydrophobicContact CG1-CD2 4Å; V135-W137 VanDerWaalsContact CG1-CE2 3.48Å; V135-W137 HydrophobicContact CG1-CG 4.46Å; V135-W137 HydrophobicContact CG1-CH2 4.38Å; V135-W137 HydrophobicContact CG1-CZ2 3.7Å; W137-A144 HydrophobicContact CD2-CB 4.4Å; W137-A144 HydrophobicContact CE3-CB 3.74Å; W137-A144 HydrophobicContact CH2-CB 4.27Å; W137-A144 HydrophobicContact CZ3-CB 3.68Å
138	N	97	Very high	94.6	Very high	34 Å²	34	46 Å²	46	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.9	168.4	178.2	-56.4	0	0	0	109	E140 S141 K142 E143 I145	N138-E140 WeakPolarHBondContact OD1-CB 3.4Å; N138-E140 PolarHBondContact OD1-N 2.91Å; N138-S141 VanDerWaalsContact CB-OG 3.24Å; N138-S141 WeakPolarHBondContact CB-OG 3.37Å; N138-S141 PolarHBondContact OD1-N 3.42Å; N138-S141 PolarHBondContact OD1-OG 2.89Å; N138-K142 VanDerWaalsContact O-CA 3.22Å; N138-K142 WeakPolarHBondContact O-CA 3.4Å; N138-K142 PolarHBondContact O-N 2.88Å; N138-E143 PolarHBondContact N-O 2.82Å; N138-E143 PolarHBondContact O-N 3.16Å; N138-I145 HydrophobicContact CB-CD1 3.9Å; N138-I145 HydrophobicContact CB-CG1 3.84Å
139	L	95.6	Very high	94.8	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22	-172.4	-66	167.3	0	0	0	113.8	Y75 I92 H101 F116 D120 K121 L123	Y75-L139 HydrophobicContact CD2-CD1 4.42Å; I92-L139 HydrophobicContact CD1-CD2 3.14Å; I92-L139 HydrophobicContact CG1-CD2 4.46Å; I92-L139 HydrophobicContact CG2-CD2 4.22Å; H101-L139 PolarHBondContact NE2-O 3.07Å; F116-L139 HydrophobicContact CD1-CD1 3.74Å; F116-L139 HydrophobicContact CE1-CD1 3.63Å; F116-L139 HydrophobicContact CE1-CD2 4.22Å; D120-L139 WeakPolarHBondContact O-CD1 3.35Å; K121-L139 PolarHBondContact O-N 2.79Å; L123-L139 HydrophobicContact CB-CD1 4.47Å; L123-L139 HydrophobicContact CB-CD2 4.14Å; L123-L139 HydrophobicContact CB-CG 4.45Å
140	E	94.6	Very high	95	Very high	164 Å²	164	43.1 Å²	43.1	77%	0.766	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-51.4	177.9	-176.9	173.9	-168.1	0	0	110.7	N138	N138-E140 WeakPolarHBondContact OD1-CB 3.4Å; N138-E140 PolarHBondContact OD1-N 2.91Å
141	S	95.5	Very high	95.2	Very high	63 Å²	63	39.7 Å²	39.7	44%	0.441	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.1	176.1	58.3	0	0	0	0	113.8	N138 E143	N138-S141 VanDerWaalsContact CB-OG 3.24Å; N138-S141 WeakPolarHBondContact CB-OG 3.37Å; N138-S141 PolarHBondContact OD1-N 3.42Å; N138-S141 PolarHBondContact OD1-OG 2.89Å; S141-E143 PolarHBondContact O-N 2.82Å
142	K	96.1	Very high	94.9	Very high	98 Å²	98	39.4 Å²	39.4	43%	0.426	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	27.8	-175.9	-48.2	178.1	-175.4	-171.7	0	113.3	H101 A102 L104 N138	H101-K142 WeakPolarHBondContact O-CE 3.44Å; H101-K142 PolarHBondContact O-NZ 2.78Å; A102-K142 HydrophobicContact CB-CB 4.28Å; A102-K142 HydrophobicContact CB-CD 4.03Å; A102-K142 HydrophobicContact CB-CG 4.09Å; L104-K142 VanDerWaalsContact CD2-O 3.27Å; L104-K142 WeakPolarHBondContact CD2-O 3.3Å; N138-K142 VanDerWaalsContact O-CA 3.22Å; N138-K142 WeakPolarHBondContact O-CA 3.4Å; N138-K142 PolarHBondContact O-N 2.88Å
143	E	95.3	Very high	94.2	Very high	128 Å²	128	47.5 Å²	47.5	60%	0.598	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.8	-178.3	-67.5	-172.7	169.3	0	0	112.8	N138 S141	N138-E143 PolarHBondContact N-O 2.82Å; N138-E143 PolarHBondContact O-N 3.16Å; S141-E143 PolarHBondContact O-N 2.82Å
144	A	96.8	Very high	93.2	Very high	31 Å²	31	52.3 Å²	52.3	26%	0.256	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.6	170.6	0	0	0	0	0	110.3	L106 V135 W137 R189	L106-A144 HydrophobicContact CD1-CB 4.09Å; V135-A144 HydrophobicContact CG1-CB 3.94Å; W137-A144 HydrophobicContact CD2-CB 4.4Å; W137-A144 HydrophobicContact CE3-CB 3.74Å; W137-A144 HydrophobicContact CH2-CB 4.27Å; W137-A144 HydrophobicContact CZ3-CB 3.68Å; A144-R189 PolarHBondContact O-NH2 3.37Å
145	I	96.4	Very high	92.2	Very high	23 Å²	23	53.9 Å²	53.9	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-55.4	176	-54.9	-179.7	0	0	0	109.5	Y122 V136 N138 L186 R189	Y122-I145 HydrophobicContact CD1-CD1 3.65Å; Y122-I145 HydrophobicContact CE1-CD1 3.71Å; V136-I145 HydrophobicContact CB-CB 4.49Å; V136-I145 HydrophobicContact CG1-CD1 4.03Å; V136-I145 PolarHBondContact O-N 2.53Å; N138-I145 HydrophobicContact CB-CD1 3.9Å; N138-I145 HydrophobicContact CB-CG1 3.84Å; I145-L186 HydrophobicContact CD1-CD2 3.89Å; I145-L186 HydrophobicContact CG2-CD2 4.43Å; I145-R189 HydrophobicContact CG2-CB 4.35Å; I145-R189 HydrophobicContact CG2-CG 4.31Å; I145-R189 PolarHBondContact O-NE 3.28Å; I145-R189 VanDerWaalsContact O-NE 3.13Å; I145-R189 PolarHBondContact O-NH2 3Å; I145-R189 VanDerWaalsContact O-NH2 3.11Å
146	C	96	Very high	91.5	Very high	17 Å²	17	54.5 Å²	54.5	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	166.3	-175.9	65.7	0	0	0	0	111.7	V136 R189	V136-C146 PolarHBondContact N-O 2.9Å; C146-R189 WeakPolarHBondContact CB-O 3.32Å
147	G	95.1	Very high	91.1	Very high	51 Å²	51	58.1 Å²	58.1	53%	0.526	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.3	172.5	0	0	0	0	0	112.7	I134	I134-G147 CarbonylContact O-C 3.53Å; I134-G147 WeakPolarHBondContact O-CA 3.15Å
148	S	95.9	Very high	90.9	Very high	31 Å²	31	58 Å²	58	22%	0.217	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.7	-179.9	-177.2	0	0	0	0	110.5	I134 A150	I134-S148 PolarHBondContact N-O 3.13Å; I134-S148 PolarHBondContact O-N 3.19Å; S148-A150 PolarHBondContact O-N 2.91Å
149	P	94.9	Very high	90.8	Very high	70 Å²	70	59.3 Å²	59.3	46%	0.455	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	130	169.9	-25.8	35.2	0	0	0	111.9	S151 R180 W182	P149-S151 VanDerWaalsContact C-N 3.28Å; P149-S151 PolarHBondContact O-N 2.87Å; P149-R180 PolarHBondContact O-NH1 3.18Å; P149-W182 VanDerWaalsContact O-CH2 3.31Å; P149-W182 WeakPolarHBondContact O-CH2 3.46Å
150	A	93.4	Very high	90.8	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	-67.2	-28.3	-174.5	0	0	0	0	0	113	L126 G132 I134 S148 C158 R180	L126-A150 HydrophobicContact CD1-CB 3.62Å; G132-A150 VanDerWaalsContact O-CB 3.24Å; G132-A150 WeakPolarHBondContact O-CB 3.45Å; G132-A150 PolarHBondContact O-N 2.82Å; I134-A150 HydrophobicContact CD1-CB 3.89Å; I134-A150 HydrophobicContact CG1-CB 3.76Å; S148-A150 PolarHBondContact O-N 2.91Å; A150-C158 HydrophobicContact CB-CB 3.64Å; A150-R180 PolarHBondContact O-NH1 2.9Å
151	S	89.4	Confident	90.9	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.14	32%	0.316	C	S	.	.	S	Bend	trans	-136.9	167.3	178.7	61.7	0	0	0	0	111	P149 G156	P149-S151 VanDerWaalsContact C-N 3.28Å; P149-S151 PolarHBondContact O-N 2.87Å; S151-G156 VanDerWaalsContact CB-O 3.3Å; S151-G156 WeakPolarHBondContact CB-O 3.32Å; S151-G156 PolarHBondContact OG-O 2.91Å
152	A	83.2	Confident	91	Very high	33 Å²	33	51.2 Å²	51.2	27%	0.273	30%	0.303	S	S	.	.			trans	-70.6	150.7	170.9	0	0	0	0	0	109.7	S154 A155	A152-S154 PolarHBondContact O-N 2.8Å; A152-A155 HydrophobicContact CB-CB 4.33Å; A152-A155 WeakPolarHBondContact O-CB 3.01Å; A152-A155 PolarHBondContact O-N 2.84Å
153	H	75.3	Confident	91.1	Very high	193 Å²	193	47.1 Å²	47.1	89%	0.894	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	178.4	-66.1	94.7	0	0	0	114
154	S	74.2	Confident	91.2	Very high	123 Å²	123	41 Å²	41	86%	0.86	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.5	177.2	60.3	0	0	0	0	114.2	A152	A152-S154 PolarHBondContact O-N 2.8Å
155	A	77.6	Confident	91.1	Very high	33 Å²	33	40.7 Å²	40.7	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-101.4	164.7	179.4	0	0	0	0	0	110.5	A152	A152-A155 HydrophobicContact CB-CB 4.33Å; A152-A155 WeakPolarHBondContact O-CB 3.01Å; A152-A155 PolarHBondContact O-N 2.84Å
156	G	82.9	Confident	91	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	28%	0.276	C	S	.	.			trans	-75.7	-171.1	176.5	0	0	0	0	0	113	S151 N176	S151-G156 VanDerWaalsContact CB-O 3.3Å; S151-G156 WeakPolarHBondContact CB-O 3.32Å; S151-G156 PolarHBondContact OG-O 2.91Å; G156-N176 CarbonylContact C-O 3.57Å; G156-N176 WeakPolarHBondContact CA-O 3.3Å; G156-N176 PolarHBondContact N-O 2.94Å
157	H	89.4	Confident	90.9	Very high	77 Å²	77	47 Å²	47	36%	0.356	28%	0.282	S	S	.	.			trans	-79	143.8	-176.6	-50.8	-71	0	0	0	112.3	Q129 G175 N176	Q129-H157 PolarHBondContact NE2-CD2 3.35Å; Q129-H157 VanDerWaalsContact NE2-CD2 3.3Å; Q129-H157 PolarHBondContact NE2-NE2 3.12Å; H157-G175 CarbonylContact O-C 3.57Å; H157-G175 WeakPolarHBondContact O-CA 3.12Å; H157-N176 PolarHBondContact O-N 3.27Å
158	C	94	Very high	90.9	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.054	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.3	171.2	-165.1	0	0	0	0	109.6	L126 A150 S173 A174 T178	L126-C158 HydrophobicContact CD1-CB 3.85Å; L126-C158 HydrophobicContact CD2-CB 4.02Å; A150-C158 HydrophobicContact CB-CB 3.64Å; C158-S173 VanDerWaalsContact SG-CB 3.54Å; C158-A174 PolarHBondContact SG-N 3.24Å; C158-A174 PolarHBondContact SG-O 3.25Å; C158-T178 HydrophobicContact CB-CG2 4.45Å
159	L	94.9	Very high	90.8	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-21	-173.8	-63	178.3	0	0	0	113.2	A174 I204	L159-A174 PolarHBondContact N-O 2.96Å; L159-I204 HydrophobicContact CD1-CG2 3.71Å
160	T	96	Very high	91	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.7	-174.8	180	0	0	0	0	110.8	S173 A174 V205 I208	T160-S173 WeakPolarHBondContact O-CA 3.24Å; T160-A174 HydrophobicContact CG2-CB 4.28Å; T160-A174 WeakPolarHBondContact CG2-O 3.4Å; T160-A174 PolarHBondContact N-O 3.07Å; T160-A174 PolarHBondContact O-N 3.44Å; T160-V205 HydrophobicContact CG2-CG1 4.21Å; T160-I208 HydrophobicContact CG2-CD1 3.67Å; T160-I208 HydrophobicContact CG2-CG1 3.72Å
161	I	97.5	Very high	91.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.5	179.7	-168.8	168.5	0	0	0	108.7	V124 L126 I134 F171 I172	V124-I161 HydrophobicContact CB-CD1 3.75Å; V124-I161 HydrophobicContact CG2-CD1 3.48Å; V124-I161 VanDerWaalsContact CG2-CD1 3.48Å; V124-I161 HydrophobicContact CG2-CG1 3.85Å; L126-I161 HydrophobicContact CB-CB 4.4Å; L126-I161 HydrophobicContact CB-CG2 4.01Å; I134-I161 HydrophobicContact CD1-CD1 4.09Å; I134-I161 HydrophobicContact CG1-CD1 4.19Å; I134-I161 HydrophobicContact CG2-CD1 3.86Å; I161-F171 HydrophobicContact CD1-CD2 3.81Å; I161-F171 HydrophobicContact CD1-CE2 3.9Å; I161-F171 HydrophobicContact CG1-CD2 3.99Å; I161-I172 CarbonylContact C-O 3.6Å; I161-I172 VanDerWaalsContact CA-O 3.25Å; I161-I172 WeakPolarHBondContact CA-O 3.18Å; I161-I172 WeakPolarHBondContact CG1-O 3.44Å
162	E	97.6	Very high	91.6	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.8	179.5	-155.1	77.8	178.6	0	0	110.1	F171 I172 I208 I210	E162-F171 CarbonylContact O-C 3.56Å; E162-F171 WeakPolarHBondContact O-CA 3.11Å; E162-F171 WeakPolarHBondContact O-CB 3.28Å; E162-I172 PolarHBondContact N-O 3.15Å; E162-I172 PolarHBondContact O-N 3.28Å; E162-I208 HydrophobicContact CB-CB 4.27Å; E162-I208 HydrophobicContact CB-CG2 4.05Å; E162-I210 HydrophobicContact CB-CD1 4.02Å; E162-I210 HydrophobicContact CG-CD1 4.06Å
163	Y	97.3	Very high	92.3	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147.1	176.1	-117.5	-76.2	0	0	0	110.9	A115 F116 V124 D168 I170 F171 I210	A115-Y163 HydrophobicContact CB-CD2 4.23Å; F116-Y163 VanDerWaalsContact C-CD2 3.47Å; F116-Y163 WeakPolarHBondContact O-CB 3.43Å; F116-Y163 WeakPolarHBondContact O-CD2 3.46Å; V124-Y163 HydrophobicContact CB-CE2 4.13Å; V124-Y163 HydrophobicContact CG1-CD2 4.27Å; V124-Y163 HydrophobicContact CG1-CE2 3.46Å; V124-Y163 VanDerWaalsContact CG1-CE2 3.46Å; V124-Y163 HydrophobicContact CG2-CD2 3.68Å; V124-Y163 HydrophobicContact CG2-CE2 3.73Å; Y163-D168 WeakPolarHBondContact CE1-O 3.41Å; Y163-D168 PolarHBondContact OH-O 3.43Å; Y163-I170 WeakPolarHBondContact CD1-O 3.2Å; Y163-I170 WeakPolarHBondContact CE1-O 3.46Å; Y163-F171 HydrophobicContact CD1-CB 4.06Å; Y163-F171 HydrophobicContact CD2-CB 4.1Å; Y163-F171 HydrophobicContact CE1-CB 4.24Å; Y163-F171 HydrophobicContact CE1-CD1 4.43Å; Y163-F171 HydrophobicContact CE2-CB 4.3Å; Y163-F171 HydrophobicContact CE2-CD1 4.38Å; Y163-F171 HydrophobicContact CG-CB 3.98Å; Y163-I210 VanDerWaalsContact O-CD1 3.32Å; Y163-I210 WeakPolarHBondContact O-CD1 3.4Å
164	T	97.3	Very high	93.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.201	C	C	.	.			trans	-69.8	166.8	172.7	77.5	0	0	0	0	111	P118 S167 I170 I172 I210 D214 L231	P118-T164 WeakPolarHBondContact CG-O 3.1Å; T164-S167 WeakPolarHBondContact OG1-CB 3.42Å; T164-S167 PolarHBondContact OG1-N 2.78Å; T164-S167 PolarHBondContact OG1-O 3.45Å; T164-I170 HydrophobicContact CG2-CB 3.9Å; T164-I170 HydrophobicContact CG2-CG2 3.58Å; T164-I170 WeakPolarHBondContact CG2-O 3.45Å; T164-I170 PolarHBondContact N-O 3Å; T164-I170 VanDerWaalsContact N-O 3.16Å; T164-I170 PolarHBondContact OG1-O 3.06Å; T164-I172 HydrophobicContact CG2-CD1 3.79Å; T164-I210 HydrophobicContact CG2-CD1 4.5Å; T164-D214 WeakPolarHBondContact CB-OD2 3.48Å; T164-D214 PolarHBondContact OG1-OD2 3.22Å; T164-L231 HydrophobicContact CG2-CD1 4.33Å; T164-L231 HydrophobicContact CG2-CD2 3.78Å
165	N	94.4	Very high	94.2	Very high	24 Å²	24	29.6 Å²	29.6	13%	0.128	16%	0.16	C	C	.	.	S	Bend	trans	-82.7	-27.9	-170.5	-70	-64.1	0	0	0	115	K71 P118 I210 P211 D214	K71-N165 WeakPolarHBondContact CE-OD1 3.41Å; K71-N165 PolarHBondContact NZ-O 3.31Å; K71-N165 PolarHBondContact NZ-OD1 3.05Å; P118-N165 WeakPolarHBondContact CB-O 3.27Å; P118-N165 VanDerWaalsContact CG-O 3.3Å; P118-N165 WeakPolarHBondContact CG-O 3.45Å; N165-I210 PolarHBondContact ND2-O 3.26Å; N165-P211 VanDerWaalsContact ND2-C 3.32Å; N165-P211 PolarHBondContact ND2-O 3.29Å; N165-D214 VanDerWaalsContact CB-OD1 3.28Å; N165-D214 WeakPolarHBondContact CB-OD1 3.31Å; N165-D214 VanDerWaalsContact N-CG 3.26Å; N165-D214 PolarHBondContact N-OD1 3.47Å; N165-D214 PolarHBondContact N-OD2 3.39Å; N165-D214 PolarHBondContact ND2-OD1 2.99Å
166	H	94.4	Very high	95	Very high	139 Å²	139	31.4 Å²	31.4	64%	0.644	17%	0.166	S	C	*	.	S	Bend	trans	-121.9	-9.3	-172.1	-65.5	-56.5	0	0	0	114.7	D212 D214	H166-D212 PolarHBondContact CD2-O 3.18Å; H166-D212 PolarHBondContact NE2-O 3.14Å; H166-D214 IonicContact CD2-OD2 3.14Å; H166-D214 IonicContact CG-OD2 3.49Å; H166-D214 PolarHBondContact N-OD2 3.05Å
167	S	94.5	Very high	95	Very high	34 Å²	34	32.8 Å²	32.8	24%	0.238	18%	0.179	C	C	.	.			trans	-117.4	122	-179.4	-177.8	0	0	0	0	111.2	T164 N169 I170	T164-S167 WeakPolarHBondContact OG1-CB 3.42Å; T164-S167 PolarHBondContact OG1-N 2.78Å; T164-S167 PolarHBondContact OG1-O 3.45Å; S167-N169 PolarHBondContact O-N 3.31Å; S167-N169 PolarHBondContact OG-N 2.67Å; S167-I170 WeakPolarHBondContact OG-CG1 3.39Å
168	D	94.1	Very high	95.1	Very high	44 Å²	44	29.3 Å²	29.3	24%	0.235	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.1	174.6	-60.4	-54.5	0	0	0	113.4	P118 N119 Y122 Y163	P118-D168 WeakPolarHBondContact CD-OD1 3.3Å; N119-D168 VanDerWaalsContact CB-OD1 3.23Å; N119-D168 WeakPolarHBondContact CB-OD1 3.46Å; N119-D168 WeakPolarHBondContact CB-OD2 3.42Å; N119-D168 VanDerWaalsContact CG-OD2 3.31Å; N119-D168 PolarHBondContact N-OD1 2.67Å; N119-D168 PolarHBondContact ND2-OD1 2.64Å; N119-D168 PolarHBondContact ND2-OD2 2.77Å; N119-D168 PolarHBondContact OD1-OD1 3.19Å; Y122-D168 HydrophobicContact CD2-CB 4.43Å; Y122-D168 HydrophobicContact CE2-CB 4.47Å; Y163-D168 WeakPolarHBondContact CE1-O 3.41Å; Y163-D168 PolarHBondContact OH-O 3.43Å
169	N	95.4	Very high	95.1	Very high	63 Å²	63	29.4 Å²	29.4	34%	0.337	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-6	-175.6	-60.7	-26.9	0	0	0	112.9	S167 E183 L184	S167-N169 PolarHBondContact O-N 3.31Å; S167-N169 PolarHBondContact OG-N 2.67Å; N169-E183 CarbonylContact O-C 3.56Å; N169-E183 VanDerWaalsContact O-CA 3.31Å; N169-E183 WeakPolarHBondContact O-CA 3.28Å; N169-L184 HydrophobicContact CB-CB 4.26Å; N169-L184 PolarHBondContact O-N 2.87Å
170	I	97.4	Very high	95.1	Very high	47 Å²	47	27.6 Å²	27.6	24%	0.241	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.8	-174.8	-56.7	173.5	0	0	0	110.4	Y163 T164 S167 V181 W182	Y163-I170 WeakPolarHBondContact CD1-O 3.2Å; Y163-I170 WeakPolarHBondContact CE1-O 3.46Å; T164-I170 HydrophobicContact CG2-CB 3.9Å; T164-I170 HydrophobicContact CG2-CG2 3.58Å; T164-I170 WeakPolarHBondContact CG2-O 3.45Å; T164-I170 PolarHBondContact N-O 3Å; T164-I170 VanDerWaalsContact N-O 3.16Å; T164-I170 PolarHBondContact OG1-O 3.06Å; S167-I170 WeakPolarHBondContact OG-CG1 3.39Å; I170-V181 HydrophobicContact CG2-CG1 3.67Å; I170-W182 WeakPolarHBondContact CA-O 3.43Å
171	F	97.9	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.9	172.1	63.1	-89.6	0	0	0	110.3	V124 I134 V136 I161 E162 Y163 W182 I191	V124-F171 HydrophobicContact CG1-CD1 3.81Å; V124-F171 HydrophobicContact CG1-CD2 4.25Å; V124-F171 HydrophobicContact CG1-CE1 3.77Å; V124-F171 HydrophobicContact CG1-CE2 4.22Å; V124-F171 HydrophobicContact CG1-CG 4.05Å; V124-F171 HydrophobicContact CG1-CZ 3.98Å; V124-F171 HydrophobicContact CG2-CD2 4.44Å; V124-F171 HydrophobicContact CG2-CG 4.46Å; I134-F171 HydrophobicContact CD1-CE2 4.3Å; I134-F171 HydrophobicContact CG2-CE2 3.86Å; I134-F171 HydrophobicContact CG2-CZ 4.03Å; V136-F171 HydrophobicContact CG2-CE1 4.41Å; I161-F171 HydrophobicContact CD1-CD2 3.81Å; I161-F171 HydrophobicContact CD1-CE2 3.9Å; I161-F171 HydrophobicContact CG1-CD2 3.99Å; E162-F171 CarbonylContact O-C 3.56Å; E162-F171 WeakPolarHBondContact O-CA 3.11Å; E162-F171 WeakPolarHBondContact O-CB 3.28Å; Y163-F171 HydrophobicContact CD1-CB 4.06Å; Y163-F171 HydrophobicContact CD2-CB 4.1Å; Y163-F171 HydrophobicContact CE1-CB 4.24Å; Y163-F171 HydrophobicContact CE1-CD1 4.43Å; Y163-F171 HydrophobicContact CE2-CB 4.3Å; Y163-F171 HydrophobicContact CE2-CD1 4.38Å; Y163-F171 HydrophobicContact CG-CB 3.98Å; F171-W182 HydrophobicContact CD1-CB 3.94Å; F171-W182 HydrophobicContact CD2-CB 3.75Å; F171-W182 AromaticContact CD2-CD1 3.67Å; F171-W182 AromaticContact CD2-CG 3.87Å; F171-W182 HydrophobicContact CD2-CG 3.87Å; F171-W182 HydrophobicContact CE1-CB 3.57Å; F171-W182 HydrophobicContact CE1-CG 4.35Å; F171-W182 HydrophobicContact CE2-CB 3.36Å; F171-W182 AromaticContact CE2-CD1 3.35Å; F171-W182 AromaticContact CE2-CD2 3.99Å; F171-W182 HydrophobicContact CE2-CD2 3.99Å; F171-W182 AromaticContact CE2-CG 3.27Å; F171-W182 HydrophobicContact CE2-CG 3.27Å; F171-W182 HydrophobicContact CG-CB 4.03Å; F171-W182 HydrophobicContact CZ-CB 3.27Å; F171-W182 HydrophobicContact CZ-CD2 4.12Å; F171-W182 AromaticContact CZ-CG 3.56Å; F171-W182 HydrophobicContact CZ-CG 3.56Å; F171-W182 PolarHBondContact N-O 2.88Å; F171-W182 PolarHBondContact O-N 3.01Å; F171-I191 HydrophobicContact CE1-CG2 3.95Å; F171-I191 HydrophobicContact CZ-CB 4.41Å; F171-I191 HydrophobicContact CZ-CD1 4.13Å; F171-I191 HydrophobicContact CZ-CG2 4.01Å
172	I	98.2	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.6	-177.1	-58.3	102	0	0	0	109.1	I161 E162 T164 R180 V181 I208 I210 F217 L231	I161-I172 CarbonylContact C-O 3.6Å; I161-I172 VanDerWaalsContact CA-O 3.25Å; I161-I172 WeakPolarHBondContact CA-O 3.18Å; I161-I172 WeakPolarHBondContact CG1-O 3.44Å; E162-I172 PolarHBondContact N-O 3.15Å; E162-I172 PolarHBondContact O-N 3.28Å; T164-I172 HydrophobicContact CG2-CD1 3.79Å; I172-R180 WeakPolarHBondContact CA-O 3.32Å; I172-R180 WeakPolarHBondContact CG2-O 3.37Å; I172-V181 HydrophobicContact CG1-CG2 4.16Å; I172-I208 HydrophobicContact CB-CD1 4.34Å; I172-I208 HydrophobicContact CG2-CD1 3.84Å; I172-I210 HydrophobicContact CD1-CD1 3.35Å; I172-I210 HydrophobicContact CD1-CG1 4.18Å; I172-F217 HydrophobicContact CG1-CD1 4.36Å; I172-F217 HydrophobicContact CG1-CE1 4.42Å; I172-F217 HydrophobicContact CG2-CD2 4.12Å; I172-F217 HydrophobicContact CG2-CE2 3.77Å; I172-F217 HydrophobicContact CG2-CZ 4Å; I172-L231 HydrophobicContact CD1-CD1 3.72Å; I172-L231 HydrophobicContact CG1-CD1 3.94Å
173	S	97.4	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.5	169.6	81	0	0	0	0	110.5	C158 T160 M179 R180 W182	C158-S173 VanDerWaalsContact SG-CB 3.54Å; T160-S173 WeakPolarHBondContact O-CA 3.24Å; S173-M179 CarbonylContact O-C 3.52Å; S173-M179 WeakPolarHBondContact O-CA 3.37Å; S173-R180 PolarHBondContact N-O 2.97Å; S173-R180 PolarHBondContact O-N 2.58Å; S173-W182 PolarHBondContact OG-NE1 3.48Å
174	A	96.4	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.5	178.9	0	0	0	0	0	112.6	C158 L159 T160 T178 M179 V205 I208	C158-A174 PolarHBondContact SG-N 3.24Å; C158-A174 PolarHBondContact SG-O 3.25Å; L159-A174 PolarHBondContact N-O 2.96Å; T160-A174 HydrophobicContact CG2-CB 4.28Å; T160-A174 WeakPolarHBondContact CG2-O 3.4Å; T160-A174 PolarHBondContact N-O 3.07Å; T160-A174 PolarHBondContact O-N 3.44Å; A174-T178 CarbonylContact C-O 3.53Å; A174-T178 VanDerWaalsContact CA-O 3.3Å; A174-T178 WeakPolarHBondContact CA-O 3.4Å; A174-M179 HydrophobicContact CB-CB 4.25Å; A174-M179 HydrophobicContact CB-CG 4.1Å; A174-V205 HydrophobicContact CB-CB 3.73Å; A174-V205 HydrophobicContact CB-CG1 3.62Å; A174-V205 HydrophobicContact CB-CG2 4.13Å; A174-I208 HydrophobicContact CB-CD1 3.79Å; A174-I208 HydrophobicContact CB-CG1 4.18Å
175	G	94.6	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-136.5	177.6	0	0	0	0	0	112.8	H157 G177 T178 V205	H157-G175 CarbonylContact O-C 3.57Å; H157-G175 WeakPolarHBondContact O-CA 3.12Å; G175-G177 PolarHBondContact O-N 2.9Å; G175-T178 PolarHBondContact N-O 2.78Å; G175-V205 PolarHBondContact O-N 3.41Å
176	N	92.8	Very high	94.9	Very high	72 Å²	72	32.1 Å²	32.1	39%	0.385	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-73.2	96.5	-179.3	-178.2	7.3	0	0	0	111.4	G156 H157 T178 I204	G156-N176 CarbonylContact C-O 3.57Å; G156-N176 WeakPolarHBondContact CA-O 3.3Å; G156-N176 PolarHBondContact N-O 2.94Å; H157-N176 PolarHBondContact O-N 3.27Å; N176-T178 PolarHBondContact O-N 3.06Å; N176-I204 HydrophobicContact CB-CG1 4.26Å; N176-I204 HydrophobicContact CB-CG2 4.24Å
177	G	83.8	Confident	94.9	Very high	44 Å²	44	31.1 Å²	31.1	45%	0.454	18%	0.181	S	C	.	.	S	Bend	trans	68.9	16.1	175.4	0	0	0	0	0	114.7	G175 R203	G175-G177 PolarHBondContact O-N 2.9Å; G177-R203 PolarHBondContact N-O 3.29Å
178	T	90.3	Very high	94.9	Very high	4 Å²	4	34 Å²	34	3%	0.025	19%	0.193	C	C	.	.			trans	-131.7	135.3	178.2	-174.4	0	0	0	0	109.5	C158 A174 G175 N176	C158-T178 HydrophobicContact CB-CG2 4.45Å; A174-T178 CarbonylContact C-O 3.53Å; A174-T178 VanDerWaalsContact CA-O 3.3Å; A174-T178 WeakPolarHBondContact CA-O 3.4Å; G175-T178 PolarHBondContact N-O 2.78Å; N176-T178 PolarHBondContact O-N 3.06Å
179	M	94.6	Very high	94.9	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.054	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	112.7	175.9	-177	166.9	66.1	0	0	108.5	S173 A174 C196 T198 F217 V229	S173-M179 CarbonylContact O-C 3.52Å; S173-M179 WeakPolarHBondContact O-CA 3.37Å; A174-M179 HydrophobicContact CB-CB 4.25Å; A174-M179 HydrophobicContact CB-CG 4.1Å; M179-C196 HydrophobicContact CB-CB 4.17Å; M179-C196 HydrophobicContact CE-CB 3.45Å; M179-C196 VanDerWaalsContact CE-CB 3.45Å; M179-C196 HydrophobicContact CG-CB 3.9Å; M179-C196 WeakPolarHBondContact O-CB 3.4Å; M179-C196 PolarHBondContact O-N 3.18Å; M179-C196 HydrophobicContact SD-CB 4.42Å; M179-T198 HydrophobicContact CE-CG2 3.25Å; M179-F217 HydrophobicContact CG-CE2 4.09Å; M179-F217 HydrophobicContact CG-CZ 4.23Å; M179-F217 HydrophobicContact SD-CE2 3.68Å; M179-F217 HydrophobicContact SD-CZ 4.09Å; M179-V229 HydrophobicContact CE-CG1 4.28Å; M179-V229 HydrophobicContact CE-CG2 3.53Å; M179-V229 HydrophobicContact SD-CG2 3.96Å
180	R	95.9	Very high	94.9	Very high	23 Å²	23	42.5 Å²	42.5	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.8	-169.9	-70.9	176	174.2	-172.3	-6.9	111.4	P149 A150 I172 S173 W182 T194 E195	P149-R180 PolarHBondContact O-NH1 3.18Å; A150-R180 PolarHBondContact O-NH1 2.9Å; I172-R180 WeakPolarHBondContact CA-O 3.32Å; I172-R180 WeakPolarHBondContact CG2-O 3.37Å; S173-R180 PolarHBondContact N-O 2.97Å; S173-R180 PolarHBondContact O-N 2.58Å; R180-W182 HydrophobicContact CB-CZ2 4.36Å; R180-T194 WeakPolarHBondContact CA-O 3.31Å; R180-E195 VanDerWaalsContact CG-OE2 3.31Å; R180-E195 WeakPolarHBondContact CG-OE2 3.43Å; R180-E195 IonicContact CZ-OE1 2.89Å; R180-E195 VanDerWaalsContact NE-CD 3.33Å; R180-E195 IonicContact NE-OE1 2.73Å; R180-E195 PolarHBondContact NE-OE1 3.44Å; R180-E195 IonicContact NE-OE2 3.59Å; R180-E195 IonicContact NH2-OE1 3.59Å; R180-E195 PolarHBondContact NH2-OE1 2.86Å
181	V	97.6	Very high	94.9	Very high	10 Å²	10	40.9 Å²	40.9	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.9	162.3	-178.7	0	0	0	0	107.6	I170 I172 T194 F217 L231 R234	I170-V181 HydrophobicContact CG2-CG1 3.67Å; I172-V181 HydrophobicContact CG1-CG2 4.16Å; V181-T194 PolarHBondContact N-O 2.85Å; V181-T194 PolarHBondContact O-N 2.81Å; V181-F217 HydrophobicContact CG2-CE1 4.22Å; V181-L231 HydrophobicContact CG1-CD1 4.16Å; V181-L231 HydrophobicContact CG2-CD1 4.03Å; V181-R234 HydrophobicContact CB-CG 4.41Å; V181-R234 HydrophobicContact CG2-CG 4.09Å
182	W	97.9	Very high	94.8	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.4	-178.6	-62.6	88	0	0	0	110.5	I134 P149 I170 F171 S173 R180 I191 R192 P193	I134-W182 HydrophobicContact CD1-CZ2 3.74Å; P149-W182 VanDerWaalsContact O-CH2 3.31Å; P149-W182 WeakPolarHBondContact O-CH2 3.46Å; I170-W182 WeakPolarHBondContact CA-O 3.43Å; F171-W182 HydrophobicContact CD1-CB 3.94Å; F171-W182 HydrophobicContact CD2-CB 3.75Å; F171-W182 AromaticContact CD2-CD1 3.67Å; F171-W182 AromaticContact CD2-CG 3.87Å; F171-W182 HydrophobicContact CD2-CG 3.87Å; F171-W182 HydrophobicContact CE1-CB 3.57Å; F171-W182 HydrophobicContact CE1-CG 4.35Å; F171-W182 HydrophobicContact CE2-CB 3.36Å; F171-W182 AromaticContact CE2-CD1 3.35Å; F171-W182 AromaticContact CE2-CD2 3.99Å; F171-W182 HydrophobicContact CE2-CD2 3.99Å; F171-W182 AromaticContact CE2-CG 3.27Å; F171-W182 HydrophobicContact CE2-CG 3.27Å; F171-W182 HydrophobicContact CG-CB 4.03Å; F171-W182 HydrophobicContact CZ-CB 3.27Å; F171-W182 HydrophobicContact CZ-CD2 4.12Å; F171-W182 AromaticContact CZ-CG 3.56Å; F171-W182 HydrophobicContact CZ-CG 3.56Å; F171-W182 PolarHBondContact N-O 2.88Å; F171-W182 PolarHBondContact O-N 3.01Å; S173-W182 PolarHBondContact OG-NE1 3.48Å; R180-W182 HydrophobicContact CB-CZ2 4.36Å; W182-I191 HydrophobicContact CE3-CB 3.93Å; W182-I191 HydrophobicContact CE3-CD1 3.87Å; W182-I191 HydrophobicContact CE3-CG1 3.95Å; W182-I191 HydrophobicContact CZ3-CB 4.43Å; W182-I191 HydrophobicContact CZ3-CD1 3.9Å; W182-I191 HydrophobicContact CZ3-CG1 3.98Å; W182-R192 WeakPolarHBondContact CA-O 3.46Å; W182-P193 HydrophobicContact CD2-CB 4.15Å; W182-P193 HydrophobicContact CE3-CB 3.72Å; W182-P193 HydrophobicContact CE3-CG 4.3Å; W182-P193 HydrophobicContact CH2-CB 3.68Å; W182-P193 HydrophobicContact CH2-CG 4.08Å; W182-P193 HydrophobicContact CZ2-CB 4.08Å; W182-P193 HydrophobicContact CZ3-CB 3.5Å; W182-P193 VanDerWaalsContact CZ3-CB 3.5Å; W182-P193 HydrophobicContact CZ3-CG 3.74Å
183	E	97.3	Very high	94.7	Very high	99 Å²	99	49.4 Å²	49.4	46%	0.463	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.1	172.3	-170.8	174.8	-175.1	0	0	110	N169 I191 R192	N169-E183 CarbonylContact O-C 3.56Å; N169-E183 VanDerWaalsContact O-CA 3.31Å; N169-E183 WeakPolarHBondContact O-CA 3.28Å; E183-I191 CarbonylContact O-C 3.58Å; E183-I191 WeakPolarHBondContact O-CA 3.45Å; E183-R192 PolarHBondContact N-O 2.96Å; E183-R192 PolarHBondContact O-N 3.14Å
184	L	96.5	Very high	94.6	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.7	178.6	-179.9	60.9	0	0	0	110.3	Y122 V136 N169 L186 I191	Y122-L184 HydrophobicContact CD2-CD2 4.34Å; V136-L184 HydrophobicContact CB-CD1 4.48Å; V136-L184 HydrophobicContact CG1-CD1 4.18Å; V136-L184 HydrophobicContact CG1-CD2 4.07Å; V136-L184 HydrophobicContact CG2-CD1 4.21Å; N169-L184 HydrophobicContact CB-CB 4.26Å; N169-L184 PolarHBondContact O-N 2.87Å; L184-L186 HydrophobicContact CD1-CD2 4.23Å; L184-L186 HydrophobicContact CD2-CD2 3.71Å; L184-L186 HydrophobicContact CD2-CG 4.03Å; L184-L186 HydrophobicContact CG-CD2 3.92Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L184-I191 HydrophobicContact CB-CG2 4.42Å; L184-I191 HydrophobicContact CD1-CG2 3.66Å
185	D	94.8	Very high	94.5	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	90	171.1	-175.6	-20.3	0	0	0	108.9	P187 N188 R189 K190 R192	D185-P187 VanDerWaalsContact OD1-CD 3.24Å; D185-P187 WeakPolarHBondContact OD1-CD 3.49Å; D185-N188 VanDerWaalsContact CG-ND2 3.28Å; D185-N188 PolarHBondContact O-N 2.78Å; D185-N188 PolarHBondContact OD1-N 2.85Å; D185-N188 VanDerWaalsContact OD1-N 3.08Å; D185-N188 PolarHBondContact OD1-ND2 2.99Å; D185-N188 VanDerWaalsContact OD1-ND2 3.13Å; D185-N188 PolarHBondContact OD2-ND2 3.12Å; D185-R189 WeakPolarHBondContact O-CA 3.35Å; D185-R189 PolarHBondContact O-N 2.85Å; D185-K190 WeakPolarHBondContact CA-O 3.31Å; D185-K190 PolarHBondContact N-O 2.86Å; D185-K190 PolarHBondContact O-N 2.94Å; D185-R192 IonicContact OD2-CZ 3.77Å; D185-R192 IonicContact OD2-NH1 3.27Å; D185-R192 PolarHBondContact OD2-NH1 2.87Å; D185-R192 IonicContact OD2-NH2 3.68Å; D185-R192 PolarHBondContact OD2-NH2 2.87Å
186	L	92	Very high	94.5	Very high	56 Å²	56	56.2 Å²	56.2	29%	0.293	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-47.9	179.6	-69.4	168.6	0	0	0	113	Y122 I145 L184 N188 R189	Y122-L186 HydrophobicContact CE1-CD2 4.07Å; Y122-L186 HydrophobicContact CE2-CD1 4.19Å; Y122-L186 WeakPolarHBondContact OH-CD1 3.24Å; I145-L186 HydrophobicContact CD1-CD2 3.89Å; I145-L186 HydrophobicContact CG2-CD2 4.43Å; L184-L186 HydrophobicContact CD1-CD2 4.23Å; L184-L186 HydrophobicContact CD2-CD2 3.71Å; L184-L186 HydrophobicContact CD2-CG 4.03Å; L184-L186 HydrophobicContact CG-CD2 3.92Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L186-N188 PolarHBondContact O-N 3.14Å; L186-R189 PolarHBondContact O-N 3.41Å
187	P	93.3	Very high	94.5	Very high	119 Å²	119	59.2 Å²	59.2	77%	0.773	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.6	177.9	-28.1	34.3	0	0	0	113.6	D185	D185-P187 VanDerWaalsContact OD1-CD 3.24Å; D185-P187 WeakPolarHBondContact OD1-CD 3.49Å
188	N	94.5	Very high	94.8	Very high	95 Å²	95	58.6 Å²	58.6	51%	0.508	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.5	179.7	-66.1	-64.6	0	0	0	113.9	D185 L186 K190	D185-N188 VanDerWaalsContact CG-ND2 3.28Å; D185-N188 PolarHBondContact O-N 2.78Å; D185-N188 PolarHBondContact OD1-N 2.85Å; D185-N188 VanDerWaalsContact OD1-N 3.08Å; D185-N188 PolarHBondContact OD1-ND2 2.99Å; D185-N188 VanDerWaalsContact OD1-ND2 3.13Å; D185-N188 PolarHBondContact OD2-ND2 3.12Å; L186-N188 PolarHBondContact O-N 3.14Å; N188-K190 VanDerWaalsContact C-N 3.31Å; N188-K190 WeakPolarHBondContact O-CG 3.35Å; N188-K190 PolarHBondContact O-N 3.11Å
189	R	95	Very high	94.7	Very high	151 Å²	151	61.7 Å²	61.7	57%	0.57	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	51.7	-174.3	-61.5	179.7	62.3	171.7	5.2	112.1	A144 I145 C146 D185 L186	A144-R189 PolarHBondContact O-NH2 3.37Å; I145-R189 HydrophobicContact CG2-CB 4.35Å; I145-R189 HydrophobicContact CG2-CG 4.31Å; I145-R189 PolarHBondContact O-NE 3.28Å; I145-R189 VanDerWaalsContact O-NE 3.13Å; I145-R189 PolarHBondContact O-NH2 3Å; I145-R189 VanDerWaalsContact O-NH2 3.11Å; C146-R189 WeakPolarHBondContact CB-O 3.32Å; D185-R189 WeakPolarHBondContact O-CA 3.35Å; D185-R189 PolarHBondContact O-N 2.85Å; L186-R189 PolarHBondContact O-N 3.41Å
190	K	95.4	Very high	94.3	Very high	134 Å²	134	70.7 Å²	70.7	58%	0.583	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.2	-179.4	-74.1	175	-172.7	-179.7	0	111.2	D185 N188	D185-K190 WeakPolarHBondContact CA-O 3.31Å; D185-K190 PolarHBondContact N-O 2.86Å; D185-K190 PolarHBondContact O-N 2.94Å; N188-K190 VanDerWaalsContact C-N 3.31Å; N188-K190 WeakPolarHBondContact O-CG 3.35Å; N188-K190 PolarHBondContact O-N 3.11Å
191	I	96.9	Very high	93.9	Very high	13 Å²	13	72 Å²	72	7%	0.067	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.1	165.6	49.3	175.3	0	0	0	109.1	I134 V136 F171 W182 E183 L184	I134-I191 HydrophobicContact CB-CD1 4.25Å; I134-I191 HydrophobicContact CG2-CD1 4.01Å; V136-I191 HydrophobicContact CG2-CD1 4.46Å; V136-I191 HydrophobicContact CG2-CG2 3.54Å; F171-I191 HydrophobicContact CE1-CG2 3.95Å; F171-I191 HydrophobicContact CZ-CB 4.41Å; F171-I191 HydrophobicContact CZ-CD1 4.13Å; F171-I191 HydrophobicContact CZ-CG2 4.01Å; W182-I191 HydrophobicContact CE3-CB 3.93Å; W182-I191 HydrophobicContact CE3-CD1 3.87Å; W182-I191 HydrophobicContact CE3-CG1 3.95Å; W182-I191 HydrophobicContact CZ3-CB 4.43Å; W182-I191 HydrophobicContact CZ3-CD1 3.9Å; W182-I191 HydrophobicContact CZ3-CG1 3.98Å; E183-I191 CarbonylContact O-C 3.58Å; E183-I191 WeakPolarHBondContact O-CA 3.45Å; L184-I191 HydrophobicContact CB-CG2 4.42Å; L184-I191 HydrophobicContact CD1-CG2 3.66Å
192	R	96.3	Very high	93.4	Very high	119 Å²	119	79.8 Å²	79.8	45%	0.449	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.2	-179.7	-67.4	-167.3	178.1	97.3	8.2	110.3	W182 E183 D185	W182-R192 WeakPolarHBondContact CA-O 3.46Å; E183-R192 PolarHBondContact N-O 2.96Å; E183-R192 PolarHBondContact O-N 3.14Å; D185-R192 IonicContact OD2-CZ 3.77Å; D185-R192 IonicContact OD2-NH1 3.27Å; D185-R192 PolarHBondContact OD2-NH1 2.87Å; D185-R192 IonicContact OD2-NH2 3.68Å; D185-R192 PolarHBondContact OD2-NH2 2.87Å
193	P	95.8	Very high	93.1	Very high	59 Å²	59	83.1 Å²	83.1	38%	0.383	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.1	175.4	28.3	-29	0	0	0	111.8	W182	W182-P193 HydrophobicContact CD2-CB 4.15Å; W182-P193 HydrophobicContact CE3-CB 3.72Å; W182-P193 HydrophobicContact CE3-CG 4.3Å; W182-P193 HydrophobicContact CH2-CB 3.68Å; W182-P193 HydrophobicContact CH2-CG 4.08Å; W182-P193 HydrophobicContact CZ2-CB 4.08Å; W182-P193 HydrophobicContact CZ3-CB 3.5Å; W182-P193 VanDerWaalsContact CZ3-CB 3.5Å; W182-P193 HydrophobicContact CZ3-CG 3.74Å
194	T	96	Very high	93	Very high	47 Å²	47	81.1 Å²	81.1	29%	0.288	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	161.2	-51.3	0	0	0	0	109.5	R180 V181 R234	R180-T194 WeakPolarHBondContact CA-O 3.31Å; V181-T194 PolarHBondContact N-O 2.85Å; V181-T194 PolarHBondContact O-N 2.81Å; T194-R234 HydrophobicContact CG2-CG 4.13Å
195	E	93.6	Very high	93	Very high	83 Å²	83	81 Å²	81	39%	0.388	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.4	177.5	-66.5	-72.4	-179.7	0	0	111.4	R180	R180-E195 VanDerWaalsContact CG-OE2 3.31Å; R180-E195 WeakPolarHBondContact CG-OE2 3.43Å; R180-E195 IonicContact CZ-OE1 2.89Å; R180-E195 VanDerWaalsContact NE-CD 3.33Å; R180-E195 IonicContact NE-OE1 2.73Å; R180-E195 PolarHBondContact NE-OE1 3.44Å; R180-E195 IonicContact NE-OE2 3.59Å; R180-E195 IonicContact NH2-OE1 3.59Å; R180-E195 PolarHBondContact NH2-OE1 2.86Å
196	C	94.8	Very high	93	Very high	14 Å²	14	83 Å²	83	10%	0.095	42%	0.416	C	S	.	.			trans	-80	133.6	172.9	-65.1	0	0	0	0	110.9	M179 T198 V229 R234	M179-C196 HydrophobicContact CB-CB 4.17Å; M179-C196 HydrophobicContact CE-CB 3.45Å; M179-C196 VanDerWaalsContact CE-CB 3.45Å; M179-C196 HydrophobicContact CG-CB 3.9Å; M179-C196 WeakPolarHBondContact O-CB 3.4Å; M179-C196 PolarHBondContact O-N 3.18Å; M179-C196 HydrophobicContact SD-CB 4.42Å; C196-T198 PolarHBondContact O-N 2.9Å; C196-V229 HydrophobicContact CB-CG1 4.35Å; C196-R234 CarbonylContact C-O 3.55Å; C196-R234 VanDerWaalsContact CA-O 3.31Å; C196-R234 WeakPolarHBondContact CA-O 3.4Å
197	Q	93.3	Very high	93.3	Very high	134 Å²	134	80.7 Å²	80.7	63%	0.626	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-89.7	105.4	-178.4	-63.5	-177.4	2.7	0	0	110.3	R234 L235 L236	Q197-R234 PolarHBondContact N-O 3.11Å; Q197-L235 HydrophobicContact CB-CD2 3.7Å; Q197-L235 HydrophobicContact CG-CD2 4.25Å; Q197-L236 PolarHBondContact O-N 2.75Å
198	T	90.1	Very high	93.5	Very high	32 Å²	32	75.4 Å²	75.4	20%	0.196	37%	0.37	C	S	.	.			trans	-101.6	4.8	176.6	60.7	0	0	0	0	113.8	M179 C196 Q200 L201 L236	M179-T198 HydrophobicContact CE-CG2 3.25Å; C196-T198 PolarHBondContact O-N 2.9Å; T198-Q200 PolarHBondContact O-N 3.31Å; T198-L201 VanDerWaalsContact CB-O 3.27Å; T198-L201 WeakPolarHBondContact CB-O 3.43Å; T198-L201 PolarHBondContact O-N 2.89Å; T198-L201 PolarHBondContact OG1-O 3.43Å; T198-L236 HydrophobicContact CG2-CB 4.5Å
199	G	87.9	Confident	93.5	Very high	69 Å²	69	71.4 Å²	71.4	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	-127.4	-176.1	0	0	0	0	0	111.7	L201	G199-L201 VanDerWaalsContact C-N 3.3Å
200	Q	85.9	Confident	93.6	Very high	199 Å²	199	64.6 Å²	64.6	93%	0.93	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.4	178.8	-64.9	-177.8	-9.7	0	0	113.4	T198 K202	T198-Q200 PolarHBondContact O-N 3.31Å; Q200-K202 PolarHBondContact O-N 3.02Å; Q200-K202 VanDerWaalsContact O-N 3.12Å
201	L	86.7	Confident	93.5	Very high	51 Å²	51	59.1 Å²	59.1	27%	0.267	30%	0.301	S	S	.	.			trans	-80.8	97.7	-177.3	-69.4	170.5	0	0	0	110.4	T198 G199 L236 C239	T198-L201 VanDerWaalsContact CB-O 3.27Å; T198-L201 WeakPolarHBondContact CB-O 3.43Å; T198-L201 PolarHBondContact O-N 2.89Å; T198-L201 PolarHBondContact OG1-O 3.43Å; G199-L201 VanDerWaalsContact C-N 3.3Å; L201-L236 HydrophobicContact CD1-CD2 3.61Å; L201-C239 HydrophobicContact CD1-CB 4.46Å
202	K	87.3	Confident	93.3	Very high	174 Å²	174	63 Å²	63	76%	0.757	32%	0.322	S	S	*	.			trans	-99.7	111.6	168.4	-64.3	-174.3	178.8	-175.3	0	109	Q200	Q200-K202 PolarHBondContact O-N 3.02Å; Q200-K202 VanDerWaalsContact O-N 3.12Å
203	R	92.1	Very high	93.1	Very high	71 Å²	71	61.4 Å²	61.4	27%	0.268	32%	0.322	S	S	.	.			trans	-123.6	159.2	-179.6	-64.4	-66.6	-174.8	-128	-7.3	109.9	G177 T221 S223 D225 L227	G177-R203 PolarHBondContact N-O 3.29Å; R203-T221 HydrophobicContact CB-CG2 3.73Å; R203-T221 HydrophobicContact CG-CG2 4.12Å; R203-S223 WeakPolarHBondContact CD-OG 3.45Å; R203-D225 IonicContact CZ-OD2 2.9Å; R203-D225 IonicContact NE-OD1 3.67Å; R203-D225 PolarHBondContact NE-OD1 2.89Å; R203-D225 IonicContact NE-OD2 2.76Å; R203-D225 PolarHBondContact NE-OD2 2.93Å; R203-D225 VanDerWaalsContact NE-OD2 3.14Å; R203-D225 IonicContact NH2-OD2 3.26Å; R203-L227 HydrophobicContact CB-CD1 4.38Å; R203-L227 HydrophobicContact CG-CD1 4.41Å
204	I	95.2	Very high	93.1	Very high	56 Å²	56	59.7 Å²	59.7	29%	0.287	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-94.1	113.6	167	-53.4	175.7	0	0	0	106.8	L159 N176 T221 T222	L159-I204 HydrophobicContact CD1-CG2 3.71Å; N176-I204 HydrophobicContact CB-CG1 4.26Å; N176-I204 HydrophobicContact CB-CG2 4.24Å; I204-T221 CarbonylContact O-C 3.54Å; I204-T221 VanDerWaalsContact O-CA 3.24Å; I204-T221 WeakPolarHBondContact O-CA 2.95Å; I204-T221 WeakPolarHBondContact O-CB 3.16Å; I204-T222 HydrophobicContact CB-CG2 3.66Å; I204-T222 HydrophobicContact CD1-CG2 4.46Å; I204-T222 HydrophobicContact CG2-CG2 3.69Å; I204-T222 PolarHBondContact O-N 2.69Å
205	V	96.4	Very high	93	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.4	178.4	177.5	0	0	0	0	109.5	T160 A174 G175 C207 I208 C219 G220	T160-V205 HydrophobicContact CG2-CG1 4.21Å; A174-V205 HydrophobicContact CB-CB 3.73Å; A174-V205 HydrophobicContact CB-CG1 3.62Å; A174-V205 HydrophobicContact CB-CG2 4.13Å; G175-V205 PolarHBondContact O-N 3.41Å; V205-C207 WeakPolarHBondContact CG1-O 2.96Å; V205-I208 HydrophobicContact CG1-CG1 4.39Å; V205-C219 HydrophobicContact CG1-CB 3.68Å; V205-C219 HydrophobicContact CG2-CB 4.05Å; V205-G220 CarbonylContact C-O 3.52Å; V205-G220 WeakPolarHBondContact CA-O 3.07Å
206	K	95.3	Very high	93.1	Very high	63 Å²	63	60 Å²	60	27%	0.274	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-36.6	178.2	-70.7	-164.6	178.6	-172.1	0	113.2	G220 T222 N251	K206-G220 PolarHBondContact N-O 2.95Å; K206-T222 HydrophobicContact CD-CG2 4.26Å; K206-T222 HydrophobicContact CG-CG2 3.91Å; K206-N251 WeakPolarHBondContact CD-OD1 3.3Å; K206-N251 PolarHBondContact NZ-OD1 2.96Å
207	C	96.6	Very high	93.2	Very high	6 Å²	6	59.3 Å²	59.3	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152	-176.9	59.4	0	0	0	0	111.4	V205 C219 G220 N251 T252	V205-C207 WeakPolarHBondContact CG1-O 2.96Å; C207-C219 VanDerWaalsContact O-CA 3.3Å; C207-C219 WeakPolarHBondContact O-CA 3.27Å; C207-G220 PolarHBondContact O-N 3.42Å; C207-N251 WeakPolarHBondContact CB-O 3.41Å; C207-N251 PolarHBondContact SG-O 3.04Å; C207-N251 VanDerWaalsContact SG-O 3.33Å; C207-T252 VanDerWaalsContact SG-CA 3.6Å
208	I	97.5	Very high	93.4	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.5	173.5	-63.9	160.5	0	0	0	107.7	T160 E162 I172 A174 V205 I210 F217 Y218	T160-I208 HydrophobicContact CG2-CD1 3.67Å; T160-I208 HydrophobicContact CG2-CG1 3.72Å; E162-I208 HydrophobicContact CB-CB 4.27Å; E162-I208 HydrophobicContact CB-CG2 4.05Å; I172-I208 HydrophobicContact CB-CD1 4.34Å; I172-I208 HydrophobicContact CG2-CD1 3.84Å; A174-I208 HydrophobicContact CB-CD1 3.79Å; A174-I208 HydrophobicContact CB-CG1 4.18Å; V205-I208 HydrophobicContact CG1-CG1 4.39Å; I208-I210 HydrophobicContact CG2-CD1 4.48Å; I208-I210 HydrophobicContact CG2-CG1 4.03Å; I208-F217 HydrophobicContact CG2-CB 4.4Å; I208-F217 HydrophobicContact CG2-CD2 4.24Å; I208-Y218 CarbonylContact C-O 3.59Å; I208-Y218 WeakPolarHBondContact CA-O 3.34Å
209	E	96.4	Very high	93.7	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.7	169.9	173.5	69.2	177.7	0	0	109.1	Y218 L253 K254 V255	E209-Y218 PolarHBondContact N-O 2.97Å; E209-Y218 PolarHBondContact O-N 2.91Å; E209-L253 HydrophobicContact CB-CB 3.98Å; E209-K254 VanDerWaalsContact CD-NZ 3.27Å; E209-K254 VanDerWaalsContact OE1-CD 3.25Å; E209-K254 WeakPolarHBondContact OE1-CD 3.37Å; E209-K254 WeakPolarHBondContact OE1-CE 3.48Å; E209-K254 IonicContact OE1-NZ 3.58Å; E209-K254 PolarHBondContact OE1-NZ 3.02Å; E209-K254 IonicContact OE2-NZ 3.74Å; E209-K254 PolarHBondContact OE2-NZ 3.43Å; E209-V255 HydrophobicContact CG-CB 4.19Å; E209-V255 HydrophobicContact CG-CG2 3.73Å; E209-V255 PolarHBondContact OE1-N 2.79Å
210	I	95.9	Very high	94.2	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.046	24%	0.237	C	C	.	.			trans	-117.7	116.1	-176.4	-50.6	166.8	0	0	0	107.8	E162 Y163 T164 N165 I172 I208 D214 F217	E162-I210 HydrophobicContact CB-CD1 4.02Å; E162-I210 HydrophobicContact CG-CD1 4.06Å; Y163-I210 VanDerWaalsContact O-CD1 3.32Å; Y163-I210 WeakPolarHBondContact O-CD1 3.4Å; T164-I210 HydrophobicContact CG2-CD1 4.5Å; N165-I210 PolarHBondContact ND2-O 3.26Å; I172-I210 HydrophobicContact CD1-CD1 3.35Å; I172-I210 HydrophobicContact CD1-CG1 4.18Å; I208-I210 HydrophobicContact CG2-CD1 4.48Å; I208-I210 HydrophobicContact CG2-CG1 4.03Å; I210-D214 WeakPolarHBondContact CG2-OD1 3.12Å; I210-F217 HydrophobicContact CG1-CB 3.85Å
211	P	93.9	Very high	94.7	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.123	19%	0.193	C	C	.	.			trans	-64.3	160.1	173.2	-12	27.1	0	0	0	111.5	N165 D213 D214 F216 Y218 V255	N165-P211 VanDerWaalsContact ND2-C 3.32Å; N165-P211 PolarHBondContact ND2-O 3.29Å; P211-D213 PolarHBondContact O-N 3.03Å; P211-D214 PolarHBondContact O-N 2.67Å; P211-D214 VanDerWaalsContact O-N 3.16Å; P211-F216 WeakPolarHBondContact CD-O 3.3Å; P211-Y218 HydrophobicContact CG-CD2 4.03Å; P211-Y218 HydrophobicContact CG-CE2 3.6Å; P211-V255 HydrophobicContact CB-CG1 4.14Å; P211-V255 HydrophobicContact CG-CB 4.31Å; P211-V255 HydrophobicContact CG-CG1 4.08Å; P211-V255 HydrophobicContact CG-CG2 4.26Å
212	D	91.5	Very high	95.2	Very high	94 Å²	94	39.9 Å²	39.9	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27	-178.2	-67.3	-22.7	0	0	0	113.5	H166 D214	H166-D212 PolarHBondContact CD2-O 3.18Å; H166-D212 PolarHBondContact NE2-O 3.14Å; D212-D214 VanDerWaalsContact C-N 3.3Å; D212-D214 PolarHBondContact O-N 3.4Å
213	D	93.1	Very high	95.5	Very high	86 Å²	86	33.9 Å²	33.9	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.3	-177	70.4	9.3	0	0	0	115.6	P211 L215	P211-D213 PolarHBondContact O-N 3.03Å; D213-L215 HydrophobicContact CB-CD1 4.29Å; D213-L215 HydrophobicContact CB-CG 4.08Å; D213-L215 PolarHBondContact O-N 2.87Å; D213-L215 PolarHBondContact OD1-N 2.85Å
214	D	94.8	Very high	95.6	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	16%	0.162	C	C	.	.			trans	51.3	20.4	-175.3	-75.9	-11.6	0	0	0	114.7	T164 N165 H166 I210 P211 D212 L231	T164-D214 WeakPolarHBondContact CB-OD2 3.48Å; T164-D214 PolarHBondContact OG1-OD2 3.22Å; N165-D214 VanDerWaalsContact CB-OD1 3.28Å; N165-D214 WeakPolarHBondContact CB-OD1 3.31Å; N165-D214 VanDerWaalsContact N-CG 3.26Å; N165-D214 PolarHBondContact N-OD1 3.47Å; N165-D214 PolarHBondContact N-OD2 3.39Å; N165-D214 PolarHBondContact ND2-OD1 2.99Å; H166-D214 IonicContact CD2-OD2 3.14Å; H166-D214 IonicContact CG-OD2 3.49Å; H166-D214 PolarHBondContact N-OD2 3.05Å; I210-D214 WeakPolarHBondContact CG2-OD1 3.12Å; P211-D214 PolarHBondContact O-N 2.67Å; P211-D214 VanDerWaalsContact O-N 3.16Å; D212-D214 VanDerWaalsContact C-N 3.3Å; D212-D214 PolarHBondContact O-N 3.4Å; D214-L231 HydrophobicContact CB-CD2 4.24Å; D214-L231 WeakPolarHBondContact O-CD2 3.39Å
215	L	95.1	Very high	95.6	Very high	97 Å²	97	28.1 Å²	28.1	51%	0.508	15%	0.15	S	C	.	.	S	Bend	trans	-82.4	-38.4	-179	-66.9	-179.4	0	0	0	111.9	D213 L231	D213-L215 HydrophobicContact CB-CD1 4.29Å; D213-L215 HydrophobicContact CB-CG 4.08Å; D213-L215 PolarHBondContact O-N 2.87Å; D213-L215 PolarHBondContact OD1-N 2.85Å; L215-L231 PolarHBondContact O-N 3.14Å
216	F	95.8	Very high	95.6	Very high	39 Å²	39	27.9 Å²	27.9	17%	0.171	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159.2	-178.8	-61.1	-88.9	0	0	0	110.1	P211 K228 V229 N230 N237	P211-F216 WeakPolarHBondContact CD-O 3.3Å; F216-K228 HydrophobicContact CB-CG 4.12Å; F216-K228 HydrophobicContact CD1-CD 4.22Å; F216-K228 VanDerWaalsContact CD1-CE 3.45Å; F216-K228 HydrophobicContact CD1-CG 3.89Å; F216-K228 HydrophobicContact CG-CD 4.38Å; F216-K228 HydrophobicContact CG-CG 4.17Å; F216-V229 CarbonylContact C-O 3.52Å; F216-V229 WeakPolarHBondContact CA-O 3.31Å; F216-V229 WeakPolarHBondContact CB-O 3.4Å; F216-N230 HydrophobicContact CD1-CB 3.93Å; F216-N230 HydrophobicContact CE1-CB 3.77Å; F216-N230 WeakPolarHBondContact CE1-ND2 3.45Å; F216-N237 HydrophobicContact CD1-CB 4.36Å; F216-N237 HydrophobicContact CE1-CB 3.96Å
217	F	96.9	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.2	164	64	-86.2	0	0	0	109.7	I172 M179 V181 I208 I210 C219 V229 L231	I172-F217 HydrophobicContact CG1-CD1 4.36Å; I172-F217 HydrophobicContact CG1-CE1 4.42Å; I172-F217 HydrophobicContact CG2-CD2 4.12Å; I172-F217 HydrophobicContact CG2-CE2 3.77Å; I172-F217 HydrophobicContact CG2-CZ 4Å; M179-F217 HydrophobicContact CG-CE2 4.09Å; M179-F217 HydrophobicContact CG-CZ 4.23Å; M179-F217 HydrophobicContact SD-CE2 3.68Å; M179-F217 HydrophobicContact SD-CZ 4.09Å; V181-F217 HydrophobicContact CG2-CE1 4.22Å; I208-F217 HydrophobicContact CG2-CB 4.4Å; I208-F217 HydrophobicContact CG2-CD2 4.24Å; I210-F217 HydrophobicContact CG1-CB 3.85Å; F217-C219 VanDerWaalsContact CD2-SG 3.6Å; F217-C219 VanDerWaalsContact CE2-SG 3.58Å; F217-V229 HydrophobicContact CD1-CB 4.14Å; F217-V229 HydrophobicContact CD1-CG1 4.48Å; F217-V229 HydrophobicContact CD2-CB 4.3Å; F217-V229 HydrophobicContact CE1-CB 3.63Å; F217-V229 HydrophobicContact CE1-CG1 3.56Å; F217-V229 HydrophobicContact CE2-CB 3.81Å; F217-V229 HydrophobicContact CE2-CG1 4.25Å; F217-V229 HydrophobicContact CE2-CG2 4.02Å; F217-V229 HydrophobicContact CG-CB 4.46Å; F217-V229 HydrophobicContact CZ-CB 3.45Å; F217-V229 VanDerWaalsContact CZ-CB 3.45Å; F217-V229 HydrophobicContact CZ-CG1 3.42Å; F217-V229 VanDerWaalsContact CZ-CG1 3.42Å; F217-V229 HydrophobicContact CZ-CG2 4.03Å; F217-V229 PolarHBondContact N-O 2.88Å; F217-V229 PolarHBondContact O-N 3.42Å; F217-L231 HydrophobicContact CD1-CB 4.49Å; F217-L231 HydrophobicContact CD1-CD1 3.95Å; F217-L231 HydrophobicContact CE1-CD1 4.19Å
218	Y	97.3	Very high	95.6	Very high	25 Å²	25	26.7 Å²	26.7	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.6	-176.8	-63.6	-90.9	0	0	0	109.8	I208 E209 P211 I226 L227 K228 V255 I261 F278	I208-Y218 CarbonylContact C-O 3.59Å; I208-Y218 WeakPolarHBondContact CA-O 3.34Å; E209-Y218 PolarHBondContact N-O 2.97Å; E209-Y218 PolarHBondContact O-N 2.91Å; P211-Y218 HydrophobicContact CG-CD2 4.03Å; P211-Y218 HydrophobicContact CG-CE2 3.6Å; Y218-I226 HydrophobicContact CD1-CG2 4.16Å; Y218-L227 CarbonylContact C-O 3.56Å; Y218-L227 VanDerWaalsContact CA-O 3.27Å; Y218-L227 WeakPolarHBondContact CA-O 3.08Å; Y218-K228 HydrophobicContact CD1-CB 4.01Å; Y218-K228 HydrophobicContact CD1-CG 4.15Å; Y218-K228 HydrophobicContact CE1-CB 3.81Å; Y218-K228 HydrophobicContact CE1-CD 3.69Å; Y218-K228 HydrophobicContact CE1-CG 3.59Å; Y218-K228 VanDerWaalsContact OH-CE 3.29Å; Y218-K228 WeakPolarHBondContact OH-CE 3.41Å; Y218-K228 PolarHBondContact OH-NZ 3.4Å; Y218-V255 HydrophobicContact CD2-CG2 3.73Å; Y218-V255 HydrophobicContact CE2-CG2 4.02Å; Y218-V255 HydrophobicContact CG-CG2 4.41Å; Y218-I261 HydrophobicContact CD1-CD1 3.91Å; Y218-I261 HydrophobicContact CE1-CD1 3.84Å; Y218-I261 HydrophobicContact CG-CD1 4.32Å; Y218-F278 AromaticContact CD1-CE1 3.81Å; Y218-F278 HydrophobicContact CD1-CE1 3.81Å; Y218-F278 AromaticContact CD1-CZ 3.93Å; Y218-F278 HydrophobicContact CD1-CZ 3.93Å; Y218-F278 AromaticContact CE1-CE1 3.67Å; Y218-F278 HydrophobicContact CE1-CE1 3.67Å; Y218-F278 AromaticContact CE1-CZ 3.9Å; Y218-F278 HydrophobicContact CE1-CZ 3.9Å
219	C	97.3	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.7	-178.9	-63.2	0	0	0	0	110.5	V205 C207 F217 I226 L227	V205-C219 HydrophobicContact CG1-CB 3.68Å; V205-C219 HydrophobicContact CG2-CB 4.05Å; C207-C219 VanDerWaalsContact O-CA 3.3Å; C207-C219 WeakPolarHBondContact O-CA 3.27Å; F217-C219 VanDerWaalsContact CD2-SG 3.6Å; F217-C219 VanDerWaalsContact CE2-SG 3.58Å; C219-I226 CarbonylContact O-C 3.49Å; C219-I226 VanDerWaalsContact O-CA 3.29Å; C219-I226 WeakPolarHBondContact O-CA 3.43Å; C219-L227 HydrophobicContact CB-CB 4.15Å; C219-L227 PolarHBondContact N-O 3.15Å; C219-L227 PolarHBondContact O-N 2.94Å
220	G	96.9	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.4	170.5	0	0	0	0	0	110.6	V205 K206 C207 L253	V205-G220 CarbonylContact C-O 3.52Å; V205-G220 WeakPolarHBondContact CA-O 3.07Å; K206-G220 PolarHBondContact N-O 2.95Å; C207-G220 PolarHBondContact O-N 3.42Å; G220-L253 VanDerWaalsContact N-CD1 3.31Å
221	T	96.9	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.6	-175.3	71.2	0	0	0	0	113.4	R203 I204 S223 G224 D225 L227 G249 V250	R203-T221 HydrophobicContact CB-CG2 3.73Å; R203-T221 HydrophobicContact CG-CG2 4.12Å; I204-T221 CarbonylContact O-C 3.54Å; I204-T221 VanDerWaalsContact O-CA 3.24Å; I204-T221 WeakPolarHBondContact O-CA 2.95Å; I204-T221 WeakPolarHBondContact O-CB 3.16Å; T221-S223 PolarHBondContact O-N 2.81Å; T221-S223 PolarHBondContact OG1-N 3.38Å; T221-G224 PolarHBondContact O-N 3.14Å; T221-G224 VanDerWaalsContact O-N 3.13Å; T221-D225 WeakPolarHBondContact CB-O 3.11Å; T221-D225 WeakPolarHBondContact CG2-O 3.38Å; T221-D225 PolarHBondContact N-O 3.44Å; T221-D225 VanDerWaalsContact N-O 3.09Å; T221-D225 PolarHBondContact OG1-N 3.42Å; T221-D225 PolarHBondContact OG1-O 3.31Å; T221-D225 PolarHBondContact OG1-OD1 2.75Å; T221-D225 VanDerWaalsContact OG1-OD1 3.07Å; T221-L227 HydrophobicContact CG2-CD1 3.96Å; T221-L227 HydrophobicContact CG2-CG 3.91Å; T221-G249 WeakPolarHBondContact O-CA 3.28Å; T221-V250 PolarHBondContact O-N 2.94Å
222	T	96.3	Very high	95.6	Very high	52 Å²	52	35.7 Å²	35.7	32%	0.319	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	171.7	59.3	0	0	0	0	113.1	I204 K206 G224 G249	I204-T222 HydrophobicContact CB-CG2 3.66Å; I204-T222 HydrophobicContact CD1-CG2 4.46Å; I204-T222 HydrophobicContact CG2-CG2 3.69Å; I204-T222 PolarHBondContact O-N 2.69Å; K206-T222 HydrophobicContact CD-CG2 4.26Å; K206-T222 HydrophobicContact CG-CG2 3.91Å; T222-G224 VanDerWaalsContact C-N 3.26Å; T222-G224 PolarHBondContact O-N 3.46Å; T222-G249 WeakPolarHBondContact O-CA 3.42Å
223	S	94.6	Very high	95.8	Very high	47 Å²	47	34.7 Å²	34.7	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.6	-179.8	-65.2	0	0	0	0	113.4	R203 T221 D225 K245	R203-S223 WeakPolarHBondContact CD-OG 3.45Å; T221-S223 PolarHBondContact O-N 2.81Å; T221-S223 PolarHBondContact OG1-N 3.38Å; S223-D225 WeakPolarHBondContact CB-OD1 3.29Å; S223-K245 VanDerWaalsContact O-CD 3.24Å; S223-K245 WeakPolarHBondContact O-CD 3.39Å
224	G	94.9	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	87	10.5	177.1	0	0	0	0	0	114.5	T221 T222 F246	T221-G224 PolarHBondContact O-N 3.14Å; T221-G224 VanDerWaalsContact O-N 3.13Å; T222-G224 VanDerWaalsContact C-N 3.26Å; T222-G224 PolarHBondContact O-N 3.46Å; G224-F246 WeakPolarHBondContact CA-O 3.11Å; G224-F246 VanDerWaalsContact O-CD2 3.29Å; G224-F246 WeakPolarHBondContact O-CD2 3.22Å; G224-F246 PolarHBondContact O-N 3.14Å
225	D	94.6	Very high	96.1	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.032	19%	0.186	C	C	.	.			trans	-104.9	153.2	170.7	45.1	-43.9	0	0	0	111.9	R203 T221 S223 K245	R203-D225 IonicContact CZ-OD2 2.9Å; R203-D225 IonicContact NE-OD1 3.67Å; R203-D225 PolarHBondContact NE-OD1 2.89Å; R203-D225 IonicContact NE-OD2 2.76Å; R203-D225 PolarHBondContact NE-OD2 2.93Å; R203-D225 VanDerWaalsContact NE-OD2 3.14Å; R203-D225 IonicContact NH2-OD2 3.26Å; T221-D225 WeakPolarHBondContact CB-O 3.11Å; T221-D225 WeakPolarHBondContact CG2-O 3.38Å; T221-D225 PolarHBondContact N-O 3.44Å; T221-D225 VanDerWaalsContact N-O 3.09Å; T221-D225 PolarHBondContact OG1-N 3.42Å; T221-D225 PolarHBondContact OG1-O 3.31Å; T221-D225 PolarHBondContact OG1-OD1 2.75Å; T221-D225 VanDerWaalsContact OG1-OD1 3.07Å; S223-D225 WeakPolarHBondContact CB-OD1 3.29Å; D225-K245 IonicContact OD1-NZ 2.79Å
226	I	96.6	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.7	174	-56.2	170.3	0	0	0	107.5	Y218 C219 C239 G240 F246 V250 L253 V263 F278	Y218-I226 HydrophobicContact CD1-CG2 4.16Å; C219-I226 CarbonylContact O-C 3.49Å; C219-I226 VanDerWaalsContact O-CA 3.29Å; C219-I226 WeakPolarHBondContact O-CA 3.43Å; I226-C239 VanDerWaalsContact O-CA 3.31Å; I226-C239 WeakPolarHBondContact O-CA 3.47Å; I226-G240 WeakPolarHBondContact CA-O 3.33Å; I226-G240 WeakPolarHBondContact CB-O 3.28Å; I226-G240 PolarHBondContact N-O 3.07Å; I226-G240 PolarHBondContact O-N 3.31Å; I226-F246 HydrophobicContact CD1-CE2 4.04Å; I226-F246 HydrophobicContact CG1-CE2 4.46Å; I226-V250 HydrophobicContact CG1-CG2 4.19Å; I226-L253 HydrophobicContact CD1-CD2 3.83Å; I226-L253 HydrophobicContact CG1-CD2 4.18Å; I226-L253 HydrophobicContact CG2-CD1 4.13Å; I226-V263 HydrophobicContact CD1-CG1 4.37Å; I226-V263 HydrophobicContact CD1-CG2 3.73Å; I226-F278 HydrophobicContact CB-CD2 4.07Å; I226-F278 HydrophobicContact CB-CE1 4.46Å; I226-F278 HydrophobicContact CB-CE2 3.92Å; I226-F278 HydrophobicContact CB-CG 4.38Å; I226-F278 HydrophobicContact CB-CZ 4.12Å; I226-F278 HydrophobicContact CD1-CB 4.3Å; I226-F278 HydrophobicContact CD1-CD1 4.19Å; I226-F278 HydrophobicContact CD1-CG 4.09Å; I226-F278 HydrophobicContact CG2-CD1 4.43Å; I226-F278 HydrophobicContact CG2-CE1 3.94Å; I226-F278 HydrophobicContact CG2-CE2 4.05Å; I226-F278 HydrophobicContact CG2-CZ 3.72Å
227	L	95.7	Very high	96	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.4	175.2	-49.4	178.4	0	0	0	109.2	R203 Y218 C219 T221 L236 C239	R203-L227 HydrophobicContact CB-CD1 4.38Å; R203-L227 HydrophobicContact CG-CD1 4.41Å; Y218-L227 CarbonylContact C-O 3.56Å; Y218-L227 VanDerWaalsContact CA-O 3.27Å; Y218-L227 WeakPolarHBondContact CA-O 3.08Å; C219-L227 HydrophobicContact CB-CB 4.15Å; C219-L227 PolarHBondContact N-O 3.15Å; C219-L227 PolarHBondContact O-N 2.94Å; T221-L227 HydrophobicContact CG2-CD1 3.96Å; T221-L227 HydrophobicContact CG2-CG 3.91Å; L227-L236 HydrophobicContact CB-CD1 3.86Å; L227-L236 HydrophobicContact CD2-CD1 4.32Å; L227-C239 HydrophobicContact CD2-CB 3.68Å
228	K	95.9	Very high	95.7	Very high	40 Å²	40	38.9 Å²	38.9	17%	0.174	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.6	171.5	-178.3	180	-177.5	168	0	109	F216 Y218 N237 S238 F278	F216-K228 HydrophobicContact CB-CG 4.12Å; F216-K228 HydrophobicContact CD1-CD 4.22Å; F216-K228 VanDerWaalsContact CD1-CE 3.45Å; F216-K228 HydrophobicContact CD1-CG 3.89Å; F216-K228 HydrophobicContact CG-CD 4.38Å; F216-K228 HydrophobicContact CG-CG 4.17Å; Y218-K228 HydrophobicContact CD1-CB 4.01Å; Y218-K228 HydrophobicContact CD1-CG 4.15Å; Y218-K228 HydrophobicContact CE1-CB 3.81Å; Y218-K228 HydrophobicContact CE1-CD 3.69Å; Y218-K228 HydrophobicContact CE1-CG 3.59Å; Y218-K228 VanDerWaalsContact OH-CE 3.29Å; Y218-K228 WeakPolarHBondContact OH-CE 3.41Å; Y218-K228 PolarHBondContact OH-NZ 3.4Å; K228-N237 HydrophobicContact CG-CB 4.47Å; K228-N237 WeakPolarHBondContact O-CB 3.47Å; K228-N237 PolarHBondContact O-N 3.17Å; K228-S238 WeakPolarHBondContact CB-OG 3.4Å; K228-S238 PolarHBondContact N-O 2.97Å; K228-S238 PolarHBondContact O-N 2.85Å; K228-F278 HydrophobicContact CB-CZ 4.32Å
229	V	96.9	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.2	-174.7	-174	0	0	0	0	109.1	M179 C196 F216 F217 L236	M179-V229 HydrophobicContact CE-CG1 4.28Å; M179-V229 HydrophobicContact CE-CG2 3.53Å; M179-V229 HydrophobicContact SD-CG2 3.96Å; C196-V229 HydrophobicContact CB-CG1 4.35Å; F216-V229 CarbonylContact C-O 3.52Å; F216-V229 WeakPolarHBondContact CA-O 3.31Å; F216-V229 WeakPolarHBondContact CB-O 3.4Å; F217-V229 HydrophobicContact CD1-CB 4.14Å; F217-V229 HydrophobicContact CD1-CG1 4.48Å; F217-V229 HydrophobicContact CD2-CB 4.3Å; F217-V229 HydrophobicContact CE1-CB 3.63Å; F217-V229 HydrophobicContact CE1-CG1 3.56Å; F217-V229 HydrophobicContact CE2-CB 3.81Å; F217-V229 HydrophobicContact CE2-CG1 4.25Å; F217-V229 HydrophobicContact CE2-CG2 4.02Å; F217-V229 HydrophobicContact CG-CB 4.46Å; F217-V229 HydrophobicContact CZ-CB 3.45Å; F217-V229 VanDerWaalsContact CZ-CB 3.45Å; F217-V229 HydrophobicContact CZ-CG1 3.42Å; F217-V229 VanDerWaalsContact CZ-CG1 3.42Å; F217-V229 HydrophobicContact CZ-CG2 4.03Å; F217-V229 PolarHBondContact N-O 2.88Å; F217-V229 PolarHBondContact O-N 3.42Å; V229-L236 HydrophobicContact CG2-CD1 4.05Å
230	N	96.9	Very high	95.3	Very high	32 Å²	32	39.2 Å²	39.2	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.7	177.2	-175.3	-80	0	0	0	110	F216 K232 T233 R234 L235	F216-N230 HydrophobicContact CD1-CB 3.93Å; F216-N230 HydrophobicContact CE1-CB 3.77Å; F216-N230 WeakPolarHBondContact CE1-ND2 3.45Å; N230-K232 PolarHBondContact O-N 2.83Å; N230-K232 WeakPolarHBondContact OD1-CB 3.44Å; N230-K232 PolarHBondContact OD1-N 3.34Å; N230-T233 WeakPolarHBondContact CB-OG1 3.5Å; N230-T233 PolarHBondContact OD1-N 3.49Å; N230-T233 PolarHBondContact OD1-OG1 3.11Å; N230-R234 VanDerWaalsContact O-CA 3.22Å; N230-R234 WeakPolarHBondContact O-CA 3.48Å; N230-R234 PolarHBondContact O-N 3.24Å; N230-L235 PolarHBondContact N-O 3.41Å
231	L	95.6	Very high	95	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.105	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.9	-174.6	-172.7	68.4	0	0	0	112	T164 I172 V181 D214 L215 F217	T164-L231 HydrophobicContact CG2-CD1 4.33Å; T164-L231 HydrophobicContact CG2-CD2 3.78Å; I172-L231 HydrophobicContact CD1-CD1 3.72Å; I172-L231 HydrophobicContact CG1-CD1 3.94Å; V181-L231 HydrophobicContact CG1-CD1 4.16Å; V181-L231 HydrophobicContact CG2-CD1 4.03Å; D214-L231 HydrophobicContact CB-CD2 4.24Å; D214-L231 WeakPolarHBondContact O-CD2 3.39Å; L215-L231 PolarHBondContact O-N 3.14Å; F217-L231 HydrophobicContact CD1-CB 4.49Å; F217-L231 HydrophobicContact CD1-CD1 3.95Å; F217-L231 HydrophobicContact CE1-CD1 4.19Å
232	K	94.6	Very high	94.3	Very high	185 Å²	185	49.6 Å²	49.6	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-47.4	-176.4	-175	176.2	-177.9	176.1	0	112.5	N230	N230-K232 PolarHBondContact O-N 2.83Å; N230-K232 WeakPolarHBondContact OD1-CB 3.44Å; N230-K232 PolarHBondContact OD1-N 3.34Å
233	T	96.2	Very high	93.5	Very high	73 Å²	73	57 Å²	57	45%	0.448	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.7	-177.3	65.5	0	0	0	0	112.9	N230 L235	N230-T233 WeakPolarHBondContact CB-OG1 3.5Å; N230-T233 PolarHBondContact OD1-N 3.49Å; N230-T233 PolarHBondContact OD1-OG1 3.11Å; T233-L235 PolarHBondContact O-N 3.47Å; T233-L235 WeakPolarHBondContact OG1-CB 3.47Å; T233-L235 PolarHBondContact OG1-N 2.85Å
234	R	96.4	Very high	93.2	Very high	89 Å²	89	61.8 Å²	61.8	34%	0.336	29%	0.29	S	S	.	.			trans	56.5	23.5	-170.8	-48.8	107.9	175.6	178.1	1.7	113.5	V181 T194 C196 Q197 N230	V181-R234 HydrophobicContact CB-CG 4.41Å; V181-R234 HydrophobicContact CG2-CG 4.09Å; T194-R234 HydrophobicContact CG2-CG 4.13Å; C196-R234 CarbonylContact C-O 3.55Å; C196-R234 VanDerWaalsContact CA-O 3.31Å; C196-R234 WeakPolarHBondContact CA-O 3.4Å; Q197-R234 PolarHBondContact N-O 3.11Å; N230-R234 VanDerWaalsContact O-CA 3.22Å; N230-R234 WeakPolarHBondContact O-CA 3.48Å; N230-R234 PolarHBondContact O-N 3.24Å
235	L	96.2	Very high	93.1	Very high	76 Å²	76	65.9 Å²	65.9	40%	0.398	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-98.4	138.7	179.8	-64.1	174.6	0	0	0	110.6	Q197 N230 T233 N237	Q197-L235 HydrophobicContact CB-CD2 3.7Å; Q197-L235 HydrophobicContact CG-CD2 4.25Å; N230-L235 PolarHBondContact N-O 3.41Å; T233-L235 PolarHBondContact O-N 3.47Å; T233-L235 WeakPolarHBondContact OG1-CB 3.47Å; T233-L235 PolarHBondContact OG1-N 2.85Å; L235-N237 PolarHBondContact O-N 3.36Å
236	L	95.2	Very high	93.1	Very high	42 Å²	42	66.4 Å²	66.4	22%	0.22	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	122.3	167.2	-179.9	70.2	0	0	0	109.7	Q197 T198 L201 L227 V229	Q197-L236 PolarHBondContact O-N 2.75Å; T198-L236 HydrophobicContact CG2-CB 4.5Å; L201-L236 HydrophobicContact CD1-CD2 3.61Å; L227-L236 HydrophobicContact CB-CD1 3.86Å; L227-L236 HydrophobicContact CD2-CD1 4.32Å; V229-L236 HydrophobicContact CG2-CD1 4.05Å
237	N	93.6	Very high	92.9	Very high	99 Å²	99	69.8 Å²	69.8	53%	0.529	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-47.8	-179.2	-174.8	-99.6	0	0	0	111.9	F216 K228 L235	F216-N237 HydrophobicContact CD1-CB 4.36Å; F216-N237 HydrophobicContact CE1-CB 3.96Å; K228-N237 HydrophobicContact CG-CB 4.47Å; K228-N237 WeakPolarHBondContact O-CB 3.47Å; K228-N237 PolarHBondContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 3.36Å
238	S	92.1	Very high	92.9	Very high	27 Å²	27	77.2 Å²	77.2	19%	0.189	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.3	177.7	71.5	0	0	0	0	112.4	K228	K228-S238 WeakPolarHBondContact CB-OG 3.4Å; K228-S238 PolarHBondContact N-O 2.97Å; K228-S238 PolarHBondContact O-N 2.85Å
239	C	92.8	Very high	92.9	Very high	29 Å²	29	75.3 Å²	75.3	20%	0.196	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.2	173.4	67.5	0	0	0	0	110.9	L201 I226 L227	L201-C239 HydrophobicContact CD1-CB 4.46Å; I226-C239 VanDerWaalsContact O-CA 3.31Å; I226-C239 WeakPolarHBondContact O-CA 3.47Å; L227-C239 HydrophobicContact CD2-CB 3.68Å
240	G	92.3	Very high	93	Very high	2 Å²	2	75.3 Å²	75.3	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	179	175.5	0	0	0	0	0	112.6	I226 F278	I226-G240 WeakPolarHBondContact CA-O 3.33Å; I226-G240 WeakPolarHBondContact CB-O 3.28Å; I226-G240 PolarHBondContact N-O 3.07Å; I226-G240 PolarHBondContact O-N 3.31Å; G240-F278 WeakPolarHBondContact O-CD2 3.44Å
241	P	90.3	Very high	92.9	Very high	14 Å²	14	74 Å²	74	9%	0.091	35%	0.351	C	S	.	.			cis	-71.6	144.3	0	27.9	-35.1	0	0	0	112.7	Q244 F246	P241-Q244 WeakPolarHBondContact CG-O 3.44Å; P241-F246 HydrophobicContact CG-CD2 4.29Å; P241-F246 HydrophobicContact CG-CE2 3.82Å; P241-F246 HydrophobicContact CG-CZ 4.4Å
242	R	81.8	Confident	93	Very high	204 Å²	204	73.2 Å²	73.2	77%	0.77	35%	0.347	S	S	*	.	S	Bend	trans	-79.9	-31.2	-176.2	-68.3	-173.4	-178.7	-162.1	0.7	114.7
243	K	81.1	Confident	93.1	Very high	207 Å²	207	64.8 Å²	64.8	90%	0.9	31%	0.311	S	S	*	.	S	Bend	trans	-101.7	-43.9	-173.2	-69	-173.8	177.7	-176	0	113.5
244	Q	86.9	Confident	93	Very high	148 Å²	148	63.8 Å²	63.8	69%	0.692	30%	0.3	S	S	*	.	S	Bend	trans	-118.4	81.7	-177.2	-69.9	-178.9	3.2	0	0	108.7	P241	P241-Q244 WeakPolarHBondContact CG-O 3.44Å
245	K	92.6	Very high	92.9	Very high	87 Å²	87	60.5 Å²	60.5	38%	0.378	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-69.7	154.6	175.1	-65.5	-167.3	-177.3	-169	0	110.6	S223 D225 S247	S223-K245 VanDerWaalsContact O-CD 3.24Å; S223-K245 WeakPolarHBondContact O-CD 3.39Å; D225-K245 IonicContact OD1-NZ 2.79Å; K245-S247 PolarHBondContact O-N 3.43Å
246	F	94.6	Very high	92.7	Very high	17 Å²	17	57.5 Å²	57.5	8%	0.075	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-73.6	120.1	176.4	-61.3	-77.1	0	0	0	110.4	G224 I226 P241 G249 V250 V263 T271	G224-F246 WeakPolarHBondContact CA-O 3.11Å; G224-F246 VanDerWaalsContact O-CD2 3.29Å; G224-F246 WeakPolarHBondContact O-CD2 3.22Å; G224-F246 PolarHBondContact O-N 3.14Å; I226-F246 HydrophobicContact CD1-CE2 4.04Å; I226-F246 HydrophobicContact CG1-CE2 4.46Å; P241-F246 HydrophobicContact CG-CD2 4.29Å; P241-F246 HydrophobicContact CG-CE2 3.82Å; P241-F246 HydrophobicContact CG-CZ 4.4Å; F246-G249 PolarHBondContact O-N 3.28Å; F246-V250 HydrophobicContact CB-CG2 3.9Å; F246-V250 HydrophobicContact CD2-CG2 3.42Å; F246-V250 VanDerWaalsContact CD2-CG2 3.42Å; F246-V250 HydrophobicContact CE2-CG2 4.26Å; F246-V250 HydrophobicContact CG-CG2 3.91Å; F246-V263 HydrophobicContact CD1-CG1 4.14Å; F246-V263 HydrophobicContact CD2-CG1 4.01Å; F246-V263 HydrophobicContact CE1-CB 4.23Å; F246-V263 HydrophobicContact CE1-CG1 3.92Å; F246-V263 HydrophobicContact CE2-CB 4.49Å; F246-V263 HydrophobicContact CE2-CG1 3.8Å; F246-V263 HydrophobicContact CE2-CG2 4.42Å; F246-V263 HydrophobicContact CG-CG1 4.19Å; F246-V263 HydrophobicContact CZ-CB 4.04Å; F246-V263 HydrophobicContact CZ-CG1 3.75Å; F246-V263 HydrophobicContact CZ-CG2 4.07Å; F246-T271 HydrophobicContact CE1-CG2 4.05Å; F246-T271 HydrophobicContact CZ-CG2 4.49Å
247	S	94.4	Very high	92.2	Very high	71 Å²	71	62 Å²	62	50%	0.497	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	147.4	-178.7	-41.1	0	0	0	0	110.7	K245 G249 D267	K245-S247 PolarHBondContact O-N 3.43Å; S247-G249 PolarHBondContact O-N 3.17Å; S247-D267 WeakPolarHBondContact CB-OD2 3.49Å; S247-D267 PolarHBondContact OG-OD2 2.97Å
248	K	95.3	Very high	91.9	Very high	159 Å²	159	60.8 Å²	60.8	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	15.4	-172.8	-63	-177.6	173.7	-177.1	0	114.9	G266 D267	K248-G266 WeakPolarHBondContact CD-O 3.24Å; K248-D267 HydrophobicContact CD-CB 4.27Å; K248-D267 HydrophobicContact CG-CB 4.44Å
249	G	96.1	Very high	91.7	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.01	31%	0.305	C	S	.	.			trans	87.7	169.9	173.9	0	0	0	0	0	114.2	T221 T222 F246 S247 S265 G266	T221-G249 WeakPolarHBondContact O-CA 3.28Å; T222-G249 WeakPolarHBondContact O-CA 3.42Å; F246-G249 PolarHBondContact O-N 3.28Å; S247-G249 PolarHBondContact O-N 3.17Å; G249-S265 VanDerWaalsContact O-CA 3.27Å; G249-S265 WeakPolarHBondContact O-CA 3.43Å; G249-S265 WeakPolarHBondContact O-CB 3.45Å; G249-G266 PolarHBondContact O-N 2.89Å
250	V	97.3	Very high	91.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.4	173.1	178.6	0	0	0	0	108.2	T221 I226 F246 L253 V263	T221-V250 PolarHBondContact O-N 2.94Å; I226-V250 HydrophobicContact CG1-CG2 4.19Å; F246-V250 HydrophobicContact CB-CG2 3.9Å; F246-V250 HydrophobicContact CD2-CG2 3.42Å; F246-V250 VanDerWaalsContact CD2-CG2 3.42Å; F246-V250 HydrophobicContact CE2-CG2 4.26Å; F246-V250 HydrophobicContact CG-CG2 3.91Å; V250-L253 HydrophobicContact CG1-CD1 4.3Å; V250-L253 HydrophobicContact CG1-CD2 3.7Å; V250-L253 HydrophobicContact CG1-CG 3.77Å; V250-V263 HydrophobicContact CB-CG1 4.49Å; V250-V263 HydrophobicContact CG1-CG1 3.75Å; V250-V263 HydrophobicContact CG2-CG1 4.04Å
251	N	96.3	Very high	91.8	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-38.8	-177.2	-77.9	-6.3	0	0	0	111.8	F24 K206 C207 G264 G266 V290	F24-N251 HydrophobicContact CD1-CB 4.45Å; F24-N251 HydrophobicContact CE1-CB 4.16Å; K206-N251 WeakPolarHBondContact CD-OD1 3.3Å; K206-N251 PolarHBondContact NZ-OD1 2.96Å; C207-N251 WeakPolarHBondContact CB-O 3.41Å; C207-N251 PolarHBondContact SG-O 3.04Å; C207-N251 VanDerWaalsContact SG-O 3.33Å; N251-G264 PolarHBondContact N-O 2.72Å; N251-G266 WeakPolarHBondContact ND2-CA 3.37Å; N251-V290 WeakPolarHBondContact CB-O 3.39Å; N251-V290 PolarHBondContact ND2-O 3.38Å
252	T	96.8	Very high	92	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.6	-174.1	179.9	0	0	0	0	110.8	C207 G264 V290 I293	C207-T252 VanDerWaalsContact SG-CA 3.6Å; T252-G264 PolarHBondContact N-O 2.92Å; T252-G264 PolarHBondContact O-N 3.43Å; T252-V290 HydrophobicContact CG2-CG1 3.87Å; T252-I293 HydrophobicContact CG2-CD1 3.81Å; T252-I293 HydrophobicContact CG2-CG1 3.56Å
253	L	96.4	Very high	92.8	Very high	8 Å²	8	51 Å²	51	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149	-178.2	-71.5	171.8	0	0	0	109.8	E209 G220 I226 V250 I261 L262 V263	E209-L253 HydrophobicContact CB-CB 3.98Å; G220-L253 VanDerWaalsContact N-CD1 3.31Å; I226-L253 HydrophobicContact CD1-CD2 3.83Å; I226-L253 HydrophobicContact CG1-CD2 4.18Å; I226-L253 HydrophobicContact CG2-CD1 4.13Å; V250-L253 HydrophobicContact CG1-CD1 4.3Å; V250-L253 HydrophobicContact CG1-CD2 3.7Å; V250-L253 HydrophobicContact CG1-CG 3.77Å; L253-I261 HydrophobicContact CD2-CG2 3.92Å; L253-L262 CarbonylContact C-O 3.57Å; L253-L262 WeakPolarHBondContact CA-O 3.47Å; L253-V263 HydrophobicContact CD2-CB 4.22Å; L253-V263 HydrophobicContact CD2-CG1 4Å; L253-V263 HydrophobicContact CD2-CG2 3.81Å
254	K	95.3	Very high	93.6	Very high	51 Å²	51	41.1 Å²	41.1	22%	0.222	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.2	164.9	-160.6	77.5	-166.6	141.4	0	110.4	E209 I261 L262 I293 V295	E209-K254 VanDerWaalsContact CD-NZ 3.27Å; E209-K254 VanDerWaalsContact OE1-CD 3.25Å; E209-K254 WeakPolarHBondContact OE1-CD 3.37Å; E209-K254 WeakPolarHBondContact OE1-CE 3.48Å; E209-K254 IonicContact OE1-NZ 3.58Å; E209-K254 PolarHBondContact OE1-NZ 3.02Å; E209-K254 IonicContact OE2-NZ 3.74Å; E209-K254 PolarHBondContact OE2-NZ 3.43Å; K254-I261 WeakPolarHBondContact O-CA 3.48Å; K254-L262 HydrophobicContact CB-CB 4.3Å; K254-L262 PolarHBondContact N-O 2.87Å; K254-L262 PolarHBondContact O-N 2.79Å; K254-I293 HydrophobicContact CB-CB 4.36Å; K254-I293 HydrophobicContact CB-CG2 3.88Å; K254-V295 HydrophobicContact CD-CG2 4.46Å; K254-V295 HydrophobicContact CG-CG2 3.68Å
255	V	93.8	Very high	94	Very high	21 Å²	21	34.1 Å²	34.1	13%	0.127	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.9	176.1	-178.6	0	0	0	0	108.4	E209 P211 Y218 I261	E209-V255 HydrophobicContact CG-CB 4.19Å; E209-V255 HydrophobicContact CG-CG2 3.73Å; E209-V255 PolarHBondContact OE1-N 2.79Å; P211-V255 HydrophobicContact CB-CG1 4.14Å; P211-V255 HydrophobicContact CG-CB 4.31Å; P211-V255 HydrophobicContact CG-CG1 4.08Å; P211-V255 HydrophobicContact CG-CG2 4.26Å; Y218-V255 HydrophobicContact CD2-CG2 3.73Å; Y218-V255 HydrophobicContact CE2-CG2 4.02Å; Y218-V255 HydrophobicContact CG-CG2 4.41Å; V255-I261 HydrophobicContact CG2-CD1 4.17Å; V255-I261 HydrophobicContact CG2-CG1 4.12Å
256	L	91.4	Very high	94.2	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.068	17%	0.169	C	C	.	.			trans	-85.9	159.5	176.7	-58.6	-179.5	0	0	0	110.2	S258 G259 D260 L262 L272 V295 Y316	L256-S258 PolarHBondContact O-N 2.95Å; L256-S258 VanDerWaalsContact O-N 3.13Å; L256-G259 PolarHBondContact O-N 3.21Å; L256-D260 HydrophobicContact CD1-CB 4.49Å; L256-D260 PolarHBondContact N-O 2.87Å; L256-L262 HydrophobicContact CD1-CD1 4.42Å; L256-L262 HydrophobicContact CD1-CG 4.26Å; L256-L262 HydrophobicContact CD2-CD1 3.93Å; L256-L262 HydrophobicContact CD2-CG 4.43Å; L256-L262 HydrophobicContact CG-CD1 4.4Å; L256-L262 HydrophobicContact CG-CG 4.36Å; L256-L272 HydrophobicContact CD1-CD1 4.18Å; L256-V295 HydrophobicContact CD2-CG2 4.22Å; L256-Y316 HydrophobicContact CD1-CD2 4.03Å; L256-Y316 HydrophobicContact CD1-CE2 3.63Å
257	K	86	Confident	94.3	Very high	137 Å²	137	31.6 Å²	31.6	60%	0.596	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	175.9	-69.9	-169.7	176.9	-172.9	0	113.6	G259 E298	K257-G259 PolarHBondContact O-N 3.23Å; K257-E298 HydrophobicContact CD-CB 4.43Å; K257-E298 IonicContact NZ-OE1 3.53Å; K257-E298 PolarHBondContact NZ-OE1 3.36Å
258	S	86.2	Confident	94.4	Very high	73 Å²	73	28.2 Å²	28.2	51%	0.51	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16	173.3	62.5	0	0	0	0	113.4	L256 D260	L256-S258 PolarHBondContact O-N 2.95Å; L256-S258 VanDerWaalsContact O-N 3.13Å; S258-D260 VanDerWaalsContact C-N 3.33Å; S258-D260 WeakPolarHBondContact OG-CB 3.47Å; S258-D260 VanDerWaalsContact OG-CG 3.3Å; S258-D260 PolarHBondContact OG-N 3.31Å; S258-D260 PolarHBondContact OG-OD2 2.93Å
259	G	87.8	Confident	94.4	Very high	46 Å²	46	22.1 Å²	22.1	47%	0.474	13%	0.128	S	C	.	.	S	Bend	trans	88.9	-4.4	-169.3	0	0	0	0	0	113.7	L256 K257	L256-G259 PolarHBondContact O-N 3.21Å; K257-G259 PolarHBondContact O-N 3.23Å
260	D	92	Very high	94.5	Very high	20 Å²	20	22 Å²	22	11%	0.107	13%	0.127	C	C	.	.			trans	-73.2	154.7	172	-57.1	-46.8	0	0	0	111	L256 S258 L272 C273 S274 Y316	L256-D260 HydrophobicContact CD1-CB 4.49Å; L256-D260 PolarHBondContact N-O 2.87Å; S258-D260 VanDerWaalsContact C-N 3.33Å; S258-D260 WeakPolarHBondContact OG-CB 3.47Å; S258-D260 VanDerWaalsContact OG-CG 3.3Å; S258-D260 PolarHBondContact OG-N 3.31Å; S258-D260 PolarHBondContact OG-OD2 2.93Å; D260-L272 HydrophobicContact CB-CD1 3.82Å; D260-C273 WeakPolarHBondContact CA-O 3.27Å; D260-S274 WeakPolarHBondContact OD1-CB 3.49Å; D260-S274 PolarHBondContact OD1-OG 2.86Å; D260-Y316 PolarHBondContact OD2-OH 2.84Å
261	I	94.7	Very high	94.4	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.5	-173.2	-51.9	-169.9	0	0	0	109.7	Y218 L253 K254 V255 V263 C273 F278	Y218-I261 HydrophobicContact CD1-CD1 3.91Å; Y218-I261 HydrophobicContact CE1-CD1 3.84Å; Y218-I261 HydrophobicContact CG-CD1 4.32Å; L253-I261 HydrophobicContact CD2-CG2 3.92Å; K254-I261 WeakPolarHBondContact O-CA 3.48Å; V255-I261 HydrophobicContact CG2-CD1 4.17Å; V255-I261 HydrophobicContact CG2-CG1 4.12Å; I261-V263 HydrophobicContact CG2-CG2 4.06Å; I261-C273 PolarHBondContact N-O 2.81Å; I261-C273 PolarHBondContact O-N 2.85Å; I261-F278 HydrophobicContact CD1-CD1 3.78Å; I261-F278 HydrophobicContact CD1-CE1 3.56Å
262	L	96.2	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.3	166.8	-63.5	171.6	0	0	0	109.1	L253 K254 L256 F270 T271 L272 I293 V295 F302 F319	L253-L262 CarbonylContact C-O 3.57Å; L253-L262 WeakPolarHBondContact CA-O 3.47Å; K254-L262 HydrophobicContact CB-CB 4.3Å; K254-L262 PolarHBondContact N-O 2.87Å; K254-L262 PolarHBondContact O-N 2.79Å; L256-L262 HydrophobicContact CD1-CD1 4.42Å; L256-L262 HydrophobicContact CD1-CG 4.26Å; L256-L262 HydrophobicContact CD2-CD1 3.93Å; L256-L262 HydrophobicContact CD2-CG 4.43Å; L256-L262 HydrophobicContact CG-CD1 4.4Å; L256-L262 HydrophobicContact CG-CG 4.36Å; L262-F270 HydrophobicContact CB-CZ 4.15Å; L262-F270 HydrophobicContact CD1-CZ 4.24Å; L262-F270 HydrophobicContact CD2-CE1 3.93Å; L262-F270 HydrophobicContact CD2-CZ 3.86Å; L262-F270 HydrophobicContact CG-CZ 4.32Å; L262-T271 CarbonylContact C-O 3.56Å; L262-T271 WeakPolarHBondContact CA-O 3.19Å; L262-L272 HydrophobicContact CD2-CB 4.37Å; L262-L272 HydrophobicContact CD2-CD1 3.69Å; L262-L272 HydrophobicContact CG-CD1 4.38Å; L262-I293 HydrophobicContact CB-CD1 4.07Å; L262-I293 HydrophobicContact CB-CG2 4.45Å; L262-I293 HydrophobicContact CD1-CG2 4.15Å; L262-V295 HydrophobicContact CD1-CG2 4.44Å; L262-F302 HydrophobicContact CD1-CB 4.09Å; L262-F302 HydrophobicContact CD1-CD1 3.84Å; L262-F302 HydrophobicContact CD1-CD2 3.98Å; L262-F302 HydrophobicContact CD1-CE1 4.32Å; L262-F302 HydrophobicContact CD1-CE2 4.45Å; L262-F302 HydrophobicContact CD1-CG 3.68Å; L262-F302 HydrophobicContact CD2-CE1 4.33Å; L262-F302 HydrophobicContact CD2-CE2 4.21Å; L262-F302 HydrophobicContact CD2-CZ 4.12Å; L262-F319 HydrophobicContact CD2-CE2 3.92Å
263	V	97.2	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122	-176.9	-171.2	0	0	0	0	108.9	I226 F246 V250 L253 I261 T271 C273	I226-V263 HydrophobicContact CD1-CG1 4.37Å; I226-V263 HydrophobicContact CD1-CG2 3.73Å; F246-V263 HydrophobicContact CD1-CG1 4.14Å; F246-V263 HydrophobicContact CD2-CG1 4.01Å; F246-V263 HydrophobicContact CE1-CB 4.23Å; F246-V263 HydrophobicContact CE1-CG1 3.92Å; F246-V263 HydrophobicContact CE2-CB 4.49Å; F246-V263 HydrophobicContact CE2-CG1 3.8Å; F246-V263 HydrophobicContact CE2-CG2 4.42Å; F246-V263 HydrophobicContact CG-CG1 4.19Å; F246-V263 HydrophobicContact CZ-CB 4.04Å; F246-V263 HydrophobicContact CZ-CG1 3.75Å; F246-V263 HydrophobicContact CZ-CG2 4.07Å; V250-V263 HydrophobicContact CB-CG1 4.49Å; V250-V263 HydrophobicContact CG1-CG1 3.75Å; V250-V263 HydrophobicContact CG2-CG1 4.04Å; L253-V263 HydrophobicContact CD2-CB 4.22Å; L253-V263 HydrophobicContact CD2-CG1 4Å; L253-V263 HydrophobicContact CD2-CG2 3.81Å; I261-V263 HydrophobicContact CG2-CG2 4.06Å; V263-T271 PolarHBondContact N-O 2.59Å; V263-T271 PolarHBondContact O-N 3.49Å; V263-C273 HydrophobicContact CG2-CB 4.29Å
264	G	97.5	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.3	170.1	0	0	0	0	0	110.3	N251 T252	N251-G264 PolarHBondContact N-O 2.72Å; T252-G264 PolarHBondContact N-O 2.92Å; T252-G264 PolarHBondContact O-N 3.43Å
265	S	97	Very high	93.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	161.6	179.6	60.3	0	0	0	0	113.2	G249 D267 G268 M269 V290	G249-S265 VanDerWaalsContact O-CA 3.27Å; G249-S265 WeakPolarHBondContact O-CA 3.43Å; G249-S265 WeakPolarHBondContact O-CB 3.45Å; S265-D267 VanDerWaalsContact C-N 3.26Å; S265-D267 VanDerWaalsContact CB-OD1 3.29Å; S265-D267 WeakPolarHBondContact CB-OD1 3.28Å; S265-D267 PolarHBondContact O-N 2.83Å; S265-D267 PolarHBondContact OG-OD1 2.97Å; S265-G268 PolarHBondContact O-N 2.89Å; S265-M269 PolarHBondContact N-O 2.99Å; S265-M269 VanDerWaalsContact N-O 3.08Å; S265-M269 WeakPolarHBondContact OG-CA 3.48Å; S265-M269 VanDerWaalsContact OG-CB 3.23Å; S265-M269 WeakPolarHBondContact OG-CB 3.43Å; S265-M269 PolarHBondContact OG-N 2.89Å; S265-M269 VanDerWaalsContact OG-N 3.09Å; S265-M269 PolarHBondContact OG-O 2.91Å; S265-V290 PolarHBondContact O-N 2.84Å
266	G	96.1	Very high	93.2	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.8	-179.3	0	0	0	0	0	115.3	K248 G249 N251 G289	K248-G266 WeakPolarHBondContact CD-O 3.24Å; G249-G266 PolarHBondContact O-N 2.89Å; N251-G266 WeakPolarHBondContact ND2-CA 3.37Å; G266-G289 WeakPolarHBondContact O-CA 3.5Å
267	D	95.9	Very high	92.9	Very high	45 Å²	45	31.1 Å²	31.1	24%	0.241	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.6	172.3	67.5	-16	0	0	0	113.2	S247 K248 S265 M269 Q285	S247-D267 WeakPolarHBondContact CB-OD2 3.49Å; S247-D267 PolarHBondContact OG-OD2 2.97Å; K248-D267 HydrophobicContact CD-CB 4.27Å; K248-D267 HydrophobicContact CG-CB 4.44Å; S265-D267 VanDerWaalsContact C-N 3.26Å; S265-D267 VanDerWaalsContact CB-OD1 3.29Å; S265-D267 WeakPolarHBondContact CB-OD1 3.28Å; S265-D267 PolarHBondContact O-N 2.83Å; S265-D267 PolarHBondContact OG-OD1 2.97Å; D267-M269 PolarHBondContact OD1-N 2.75Å; D267-Q285 PolarHBondContact O-NE2 3.5Å
268	G	96.3	Very high	93.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	90.9	5.3	179.1	0	0	0	0	0	114.3	S265 F270 L286 G288	S265-G268 PolarHBondContact O-N 2.89Å; G268-F270 PolarHBondContact O-N 3.29Å; G268-L286 WeakPolarHBondContact O-CB 3.48Å; G268-L286 PolarHBondContact O-N 2.8Å; G268-G288 WeakPolarHBondContact CA-O 3.05Å
269	M	96.9	Very high	93.4	Very high	31 Å²	31	29.3 Å²	29.3	15%	0.153	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.4	173.5	-67.6	-67.4	-59.2	0	0	111.2	S265 D267 K283 Q285	S265-M269 PolarHBondContact N-O 2.99Å; S265-M269 VanDerWaalsContact N-O 3.08Å; S265-M269 WeakPolarHBondContact OG-CA 3.48Å; S265-M269 VanDerWaalsContact OG-CB 3.23Å; S265-M269 WeakPolarHBondContact OG-CB 3.43Å; S265-M269 PolarHBondContact OG-N 2.89Å; S265-M269 VanDerWaalsContact OG-N 3.09Å; S265-M269 PolarHBondContact OG-O 2.91Å; D267-M269 PolarHBondContact OD1-N 2.75Å; M269-K283 HydrophobicContact CE-CB 3.61Å; M269-K283 HydrophobicContact CE-CD 3.57Å; M269-K283 HydrophobicContact CE-CG 3.65Å; M269-Q285 HydrophobicContact SD-CB 3.9Å; M269-Q285 HydrophobicContact SD-CG 4.46Å; M269-Q285 PolarHBondContact SD-OE1 2.9Å
270	F	97.1	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.8	171.6	-170.8	-96.5	0	0	0	109.6	L262 G268 K283 V284 L286 V290 I293 F302 A304 F314 F319	L262-F270 HydrophobicContact CB-CZ 4.15Å; L262-F270 HydrophobicContact CD1-CZ 4.24Å; L262-F270 HydrophobicContact CD2-CE1 3.93Å; L262-F270 HydrophobicContact CD2-CZ 3.86Å; L262-F270 HydrophobicContact CG-CZ 4.32Å; G268-F270 PolarHBondContact O-N 3.29Å; F270-K283 CarbonylContact O-C 3.59Å; F270-K283 WeakPolarHBondContact O-CA 3.31Å; F270-V284 PolarHBondContact N-O 3.49Å; F270-V284 PolarHBondContact O-N 3.47Å; F270-L286 HydrophobicContact CB-CD1 3.82Å; F270-L286 HydrophobicContact CB-CG 4.17Å; F270-L286 HydrophobicContact CG-CD1 4.37Å; F270-V290 HydrophobicContact CB-CG2 4.4Å; F270-V290 HydrophobicContact CD2-CG1 4.23Å; F270-V290 HydrophobicContact CD2-CG2 4.5Å; F270-I293 HydrophobicContact CE2-CD1 3.71Å; F270-I293 HydrophobicContact CE2-CG1 3.87Å; F270-I293 HydrophobicContact CE2-CG2 4.43Å; F270-I293 HydrophobicContact CZ-CD1 4.49Å; F270-F302 HydrophobicContact CD1-CE2 4.33Å; F270-F302 AromaticContact CE1-CD2 3.74Å; F270-F302 HydrophobicContact CE1-CD2 3.74Å; F270-F302 AromaticContact CE1-CE2 3.23Å; F270-F302 HydrophobicContact CE1-CE2 3.23Å; F270-F302 HydrophobicContact CE1-CZ 4.18Å; F270-F302 AromaticContact CZ-CD2 3.6Å; F270-F302 HydrophobicContact CZ-CD2 3.6Å; F270-F302 AromaticContact CZ-CE2 3.62Å; F270-F302 HydrophobicContact CZ-CE2 3.62Å; F270-A304 HydrophobicContact CD2-CB 3.96Å; F270-A304 HydrophobicContact CE2-CB 4.02Å; F270-F314 HydrophobicContact CB-CZ 4.41Å; F270-F314 HydrophobicContact CD1-CD2 4.5Å; F270-F314 HydrophobicContact CD1-CE1 4.06Å; F270-F314 AromaticContact CD1-CE2 3.98Å; F270-F314 HydrophobicContact CD1-CE2 3.98Å; F270-F314 AromaticContact CD1-CZ 3.72Å; F270-F314 HydrophobicContact CD1-CZ 3.72Å; F270-F314 HydrophobicContact CE1-CD2 4.38Å; F270-F314 HydrophobicContact CE1-CE2 4.27Å; F270-F314 HydrophobicContact CE1-CZ 4.36Å; F270-F314 HydrophobicContact CG-CE2 4.35Å; F270-F314 HydrophobicContact CG-CZ 4.17Å; F270-F319 HydrophobicContact CD1-CE1 4.17Å; F270-F319 HydrophobicContact CD1-CE2 4.33Å; F270-F319 AromaticContact CD1-CZ 3.61Å; F270-F319 HydrophobicContact CD1-CZ 3.61Å; F270-F319 AromaticContact CE1-CE2 3.9Å; F270-F319 HydrophobicContact CE1-CE2 3.9Å; F270-F319 AromaticContact CE1-CZ 3.62Å; F270-F319 HydrophobicContact CE1-CZ 3.62Å
271	T	95.8	Very high	93.6	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.6	-164.9	-53.5	0	0	0	0	112	F246 L262 V263 T280 K282 K283	F246-T271 HydrophobicContact CE1-CG2 4.05Å; F246-T271 HydrophobicContact CZ-CG2 4.49Å; L262-T271 CarbonylContact C-O 3.56Å; L262-T271 WeakPolarHBondContact CA-O 3.19Å; V263-T271 PolarHBondContact N-O 2.59Å; V263-T271 PolarHBondContact O-N 3.49Å; T271-T280 HydrophobicContact CG2-CG2 3.46Å; T271-T280 VanDerWaalsContact CG2-CG2 3.46Å; T271-K282 WeakPolarHBondContact CA-O 3.41Å; T271-K282 WeakPolarHBondContact CG2-O 3.45Å; T271-K283 HydrophobicContact CG2-CB 4.21Å
272	L	95.3	Very high	93.6	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.1	165.7	-178	67.6	0	0	0	109.4	L256 D260 L262 I281 K282 F319	L256-L272 HydrophobicContact CD1-CD1 4.18Å; D260-L272 HydrophobicContact CB-CD1 3.82Å; L262-L272 HydrophobicContact CD2-CB 4.37Å; L262-L272 HydrophobicContact CD2-CD1 3.69Å; L262-L272 HydrophobicContact CG-CD1 4.38Å; L272-I281 HydrophobicContact CD2-CD1 4.44Å; L272-I281 HydrophobicContact CG-CD1 4.39Å; L272-I281 PolarHBondContact O-N 3.12Å; L272-K282 HydrophobicContact CB-CB 4.24Å; L272-K282 PolarHBondContact N-O 2.56Å; L272-K282 PolarHBondContact O-N 3.16Å; L272-F319 HydrophobicContact CB-CD2 4.37Å; L272-F319 HydrophobicContact CB-CE2 3.65Å; L272-F319 HydrophobicContact CB-CZ 3.84Å; L272-F319 HydrophobicContact CD2-CE2 4.49Å
273	C	94.4	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.9	-178.1	-72.7	0	0	0	0	111.5	D260 I261 V263 F278 K279	D260-C273 WeakPolarHBondContact CA-O 3.27Å; I261-C273 PolarHBondContact N-O 2.81Å; I261-C273 PolarHBondContact O-N 2.85Å; V263-C273 HydrophobicContact CG2-CB 4.29Å; C273-F278 HydrophobicContact CB-CB 4.25Å; C273-K279 CarbonylContact C-O 3.58Å; C273-K279 VanDerWaalsContact CA-O 3.3Å; C273-K279 WeakPolarHBondContact CA-O 3.35Å
274	S	92.4	Very high	93.5	Very high	41 Å²	41	43.3 Å²	43.3	29%	0.287	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.7	175.3	-167	0	0	0	0	113.4	D260 K279	D260-S274 WeakPolarHBondContact OD1-CB 3.49Å; D260-S274 PolarHBondContact OD1-OG 2.86Å; S274-K279 PolarHBondContact N-O 2.75Å; S274-K279 PolarHBondContact O-N 2.6Å
275	G	87.8	Confident	93.5	Very high	43 Å²	43	48.6 Å²	48.6	44%	0.443	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	175.9	-179.5	0	0	0	0	0	114.5	N277 F278	G275-N277 PolarHBondContact O-N 3.38Å; G275-N277 VanDerWaalsContact O-N 3.13Å; G275-F278 PolarHBondContact O-N 3.07Å; G275-F278 VanDerWaalsContact O-N 3.11Å
276	P	83.1	Confident	93.4	Very high	100 Å²	100	48.9 Å²	48.9	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.8	-169.8	27.3	-35.8	0	0	0	114.5
277	N	85.7	Confident	93.3	Very high	96 Å²	96	53.4 Å²	53.4	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.8	179.3	-71.4	-37.1	0	0	0	113.2	G275 K279	G275-N277 PolarHBondContact O-N 3.38Å; G275-N277 VanDerWaalsContact O-N 3.13Å; N277-K279 PolarHBondContact O-N 3.15Å
278	F	91.2	Very high	93.2	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.5	-178.8	-45.5	-72.2	0	0	0	112.6	Y218 I226 K228 G240 I261 C273 G275 T280	Y218-F278 AromaticContact CD1-CE1 3.81Å; Y218-F278 HydrophobicContact CD1-CE1 3.81Å; Y218-F278 AromaticContact CD1-CZ 3.93Å; Y218-F278 HydrophobicContact CD1-CZ 3.93Å; Y218-F278 AromaticContact CE1-CE1 3.67Å; Y218-F278 HydrophobicContact CE1-CE1 3.67Å; Y218-F278 AromaticContact CE1-CZ 3.9Å; Y218-F278 HydrophobicContact CE1-CZ 3.9Å; I226-F278 HydrophobicContact CB-CD2 4.07Å; I226-F278 HydrophobicContact CB-CE1 4.46Å; I226-F278 HydrophobicContact CB-CE2 3.92Å; I226-F278 HydrophobicContact CB-CG 4.38Å; I226-F278 HydrophobicContact CB-CZ 4.12Å; I226-F278 HydrophobicContact CD1-CB 4.3Å; I226-F278 HydrophobicContact CD1-CD1 4.19Å; I226-F278 HydrophobicContact CD1-CG 4.09Å; I226-F278 HydrophobicContact CG2-CD1 4.43Å; I226-F278 HydrophobicContact CG2-CE1 3.94Å; I226-F278 HydrophobicContact CG2-CE2 4.05Å; I226-F278 HydrophobicContact CG2-CZ 3.72Å; K228-F278 HydrophobicContact CB-CZ 4.32Å; G240-F278 WeakPolarHBondContact O-CD2 3.44Å; I261-F278 HydrophobicContact CD1-CD1 3.78Å; I261-F278 HydrophobicContact CD1-CE1 3.56Å; C273-F278 HydrophobicContact CB-CB 4.25Å; G275-F278 PolarHBondContact O-N 3.07Å; G275-F278 VanDerWaalsContact O-N 3.11Å; F278-T280 PolarHBondContact O-N 3.16Å
279	K	91.1	Very high	93.2	Very high	167 Å²	167	52.8 Å²	52.8	73%	0.726	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.9	-179.8	-176	-177.4	175.7	-173.2	0	108.9	C273 S274 N277 I281	C273-K279 CarbonylContact C-O 3.58Å; C273-K279 VanDerWaalsContact CA-O 3.3Å; C273-K279 WeakPolarHBondContact CA-O 3.35Å; S274-K279 PolarHBondContact N-O 2.75Å; S274-K279 PolarHBondContact O-N 2.6Å; N277-K279 PolarHBondContact O-N 3.15Å; K279-I281 PolarHBondContact O-N 3.17Å
280	T	92.5	Very high	93.3	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.4	173.9	-56.8	0	0	0	0	111.1	T271 F278 K283	T271-T280 HydrophobicContact CG2-CG2 3.46Å; T271-T280 VanDerWaalsContact CG2-CG2 3.46Å; F278-T280 PolarHBondContact O-N 3.16Å; T280-K283 HydrophobicContact CG2-CB 4.15Å; T280-K283 HydrophobicContact CG2-CD 4.34Å
281	I	92.6	Very high	93.3	Very high	94 Å²	94	51.3 Å²	51.3	48%	0.482	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-55.6	170.7	-56.1	170.7	0	0	0	109.4	L272 K279	L272-I281 HydrophobicContact CD2-CD1 4.44Å; L272-I281 HydrophobicContact CG-CD1 4.39Å; L272-I281 PolarHBondContact O-N 3.12Å; K279-I281 PolarHBondContact O-N 3.17Å
282	K	93.4	Very high	93.3	Very high	66 Å²	66	51.1 Å²	51.1	29%	0.287	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.9	-178.4	-57.7	-171	-179.9	179.8	0	109.6	T271 L272 T317 F319	T271-K282 WeakPolarHBondContact CA-O 3.41Å; T271-K282 WeakPolarHBondContact CG2-O 3.45Å; L272-K282 HydrophobicContact CB-CB 4.24Å; L272-K282 PolarHBondContact N-O 2.56Å; L272-K282 PolarHBondContact O-N 3.16Å; K282-T317 PolarHBondContact NZ-O 2.83Å; K282-F319 HydrophobicContact CB-CB 4.49Å; K282-F319 HydrophobicContact CB-CD1 3.54Å; K282-F319 HydrophobicContact CB-CD2 4.42Å; K282-F319 HydrophobicContact CB-CE1 3.78Å; K282-F319 HydrophobicContact CB-CG 3.91Å; K282-F319 HydrophobicContact CB-CZ 4.34Å; K282-F319 HydrophobicContact CD-CB 3.31Å; K282-F319 HydrophobicContact CD-CD1 4.01Å; K282-F319 HydrophobicContact CD-CD2 4.14Å; K282-F319 HydrophobicContact CD-CG 3.57Å; K282-F319 HydrophobicContact CG-CD1 4.45Å; K282-F319 HydrophobicContact CG-CG 4.41Å
283	K	94.4	Very high	93.4	Very high	136 Å²	136	51.1 Å²	51.1	59%	0.591	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.3	143.7	178.7	72.3	-175.8	-170.2	167.4	0	110.8	M269 F270 T271 T280	M269-K283 HydrophobicContact CE-CB 3.61Å; M269-K283 HydrophobicContact CE-CD 3.57Å; M269-K283 HydrophobicContact CE-CG 3.65Å; F270-K283 CarbonylContact O-C 3.59Å; F270-K283 WeakPolarHBondContact O-CA 3.31Å; T271-K283 HydrophobicContact CG2-CB 4.21Å; T280-K283 HydrophobicContact CG2-CB 4.15Å; T280-K283 HydrophobicContact CG2-CD 4.34Å
284	V	96.8	Very high	93.4	Very high	21 Å²	21	51.3 Å²	51.3	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.3	177.1	175.7	0	0	0	0	108.5	F270 L286 F314 F319 E321	F270-V284 PolarHBondContact N-O 3.49Å; F270-V284 PolarHBondContact O-N 3.47Å; V284-L286 HydrophobicContact CG1-CD2 4.08Å; V284-F314 HydrophobicContact CB-CE1 4.26Å; V284-F314 HydrophobicContact CG1-CE1 4.38Å; V284-F314 HydrophobicContact CG2-CE1 4.21Å; V284-F319 HydrophobicContact CG2-CD1 3.9Å; V284-F319 HydrophobicContact CG2-CE1 3.99Å; V284-E321 HydrophobicContact CG1-CB 4.1Å; V284-E321 HydrophobicContact CG1-CG 3.98Å; V284-E321 VanDerWaalsContact CG1-OE2 3.31Å; V284-E321 WeakPolarHBondContact CG1-OE2 3.39Å
285	Q	97.1	Very high	93.4	Very high	111 Å²	111	50.9 Å²	50.9	52%	0.519	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.5	174.2	178.4	66.9	63.8	0	0	108.9	D267 M269	D267-Q285 PolarHBondContact O-NE2 3.5Å; M269-Q285 HydrophobicContact SD-CB 3.9Å; M269-Q285 HydrophobicContact SD-CG 4.46Å; M269-Q285 PolarHBondContact SD-OE1 2.9Å
286	L	96.7	Very high	93.6	Very high	6 Å²	6	53 Å²	53	3%	0.031	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-100.3	163.3	173.8	-58.8	-177.9	0	0	0	110.9	G268 F270 V284 V290 A304 T306 Y312 F314 E321	G268-L286 WeakPolarHBondContact O-CB 3.48Å; G268-L286 PolarHBondContact O-N 2.8Å; F270-L286 HydrophobicContact CB-CD1 3.82Å; F270-L286 HydrophobicContact CB-CG 4.17Å; F270-L286 HydrophobicContact CG-CD1 4.37Å; V284-L286 HydrophobicContact CG1-CD2 4.08Å; L286-V290 HydrophobicContact CD1-CG2 4.14Å; L286-A304 HydrophobicContact CD1-CB 3.89Å; L286-T306 HydrophobicContact CB-CG2 4.09Å; L286-T306 HydrophobicContact CD1-CG2 4.11Å; L286-Y312 HydrophobicContact CB-CD2 4.43Å; L286-Y312 HydrophobicContact CB-CE2 3.95Å; L286-Y312 HydrophobicContact CD1-CD2 3.82Å; L286-Y312 HydrophobicContact CD1-CE2 4.19Å; L286-Y312 HydrophobicContact CD1-CG 4.29Å; L286-Y312 HydrophobicContact CD2-CD1 3.88Å; L286-Y312 HydrophobicContact CD2-CD2 3.86Å; L286-Y312 HydrophobicContact CD2-CE1 3.93Å; L286-Y312 HydrophobicContact CD2-CE2 3.88Å; L286-Y312 HydrophobicContact CD2-CG 3.81Å; L286-Y312 HydrophobicContact CG-CD2 4.26Å; L286-Y312 HydrophobicContact CG-CE2 4.23Å; L286-F314 HydrophobicContact CD1-CE2 4.29Å; L286-F314 HydrophobicContact CD1-CZ 4.18Å; L286-F314 HydrophobicContact CD2-CZ 3.97Å; L286-F314 HydrophobicContact CG-CZ 4.49Å; L286-E321 HydrophobicContact CD2-CB 4.1Å; L286-E321 HydrophobicContact CD2-CG 4.42Å
287	E	93.6	Very high	93.6	Very high	102 Å²	102	49.8 Å²	49.8	48%	0.477	25%	0.253	S	S	.	.	S	Bend	trans	-80.9	118.3	174.5	-164.2	179.1	171.1	0	0	110.4	T306 A308 Q310 Y312 R366	E287-T306 WeakPolarHBondContact O-CB 3.24Å; E287-T306 PolarHBondContact O-OG1 2.65Å; E287-A308 HydrophobicContact CB-CB 4.45Å; E287-A308 HydrophobicContact CG-CB 4.13Å; E287-A308 VanDerWaalsContact O-CB 3.3Å; E287-A308 WeakPolarHBondContact O-CB 3.38Å; E287-Q310 PolarHBondContact OE2-NE2 3.34Å; E287-Y312 WeakPolarHBondContact CB-OH 3.35Å; E287-Y312 PolarHBondContact N-OH 2.84Å; E287-R366 IonicContact OE2-NH1 2.72Å
288	G	93.8	Very high	93.1	Very high	30 Å²	30	50.1 Å²	50.1	31%	0.309	25%	0.252	S	S	.	.	S	Bend	trans	79.7	162.8	-175	0	0	0	0	0	113.8	G268	G268-G288 WeakPolarHBondContact CA-O 3.05Å
289	G	96.6	Very high	92.3	Very high	2 Å²	2	50 Å²	50	2%	0.021	25%	0.253	C	S	.	.			trans	-61.9	141.4	178.3	0	0	0	0	0	112.1	G266 T306 E307	G266-G289 WeakPolarHBondContact O-CA 3.5Å; G289-T306 CarbonylContact O-C 3.58Å; G289-T306 WeakPolarHBondContact O-CA 3.45Å; G289-T306 WeakPolarHBondContact O-CB 3.41Å; G289-E307 PolarHBondContact O-N 3.41Å
290	V	97.8	Very high	91.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.6	177	-173.4	0	0	0	0	108.8	N251 T252 S265 F270 L286 A304	N251-V290 WeakPolarHBondContact CB-O 3.39Å; N251-V290 PolarHBondContact ND2-O 3.38Å; T252-V290 HydrophobicContact CG2-CG1 3.87Å; S265-V290 PolarHBondContact O-N 2.84Å; F270-V290 HydrophobicContact CB-CG2 4.4Å; F270-V290 HydrophobicContact CD2-CG1 4.23Å; F270-V290 HydrophobicContact CD2-CG2 4.5Å; L286-V290 HydrophobicContact CD1-CG2 4.14Å; V290-A304 HydrophobicContact CG1-CB 4.33Å
291	T	96.8	Very high	91.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-23.4	-176.8	62.3	0	0	0	0	113.7	G21 F24 S25 G305 E307	G21-T291 VanDerWaalsContact O-CB 3.29Å; G21-T291 WeakPolarHBondContact O-CB 2.98Å; G21-T291 WeakPolarHBondContact O-CG2 3.14Å; G21-T291 PolarHBondContact O-OG1 2.86Å; F24-T291 HydrophobicContact CD1-CG2 4.27Å; F24-T291 HydrophobicContact CE1-CG2 4.04Å; S25-T291 PolarHBondContact N-O 3.33Å; T291-G305 PolarHBondContact N-O 3.08Å; T291-G305 PolarHBondContact OG1-O 2.85Å; T291-E307 HydrophobicContact CG2-CB 4.47Å; T291-E307 HydrophobicContact CG2-CG 3.35Å
292	S	96.6	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.3	-176.9	-57.1	0	0	0	0	111.7	S25 G26 L27 A304 G305	S25-S292 VanDerWaalsContact CA-OG 3.32Å; S25-S292 WeakPolarHBondContact CA-OG 3.19Å; S25-S292 PolarHBondContact N-OG 2.85Å; G26-S292 PolarHBondContact N-OG 2.94Å; L27-S292 PolarHBondContact N-OG 2.62Å; S292-A304 WeakPolarHBondContact O-CA 3.47Å; S292-G305 PolarHBondContact N-O 2.95Å; S292-G305 PolarHBondContact O-N 3.32Å
293	I	96.8	Very high	91.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.2	169.3	-55.2	178	0	0	0	107.8	T252 K254 L262 F270 F303	T252-I293 HydrophobicContact CG2-CD1 3.81Å; T252-I293 HydrophobicContact CG2-CG1 3.56Å; K254-I293 HydrophobicContact CB-CB 4.36Å; K254-I293 HydrophobicContact CB-CG2 3.88Å; L262-I293 HydrophobicContact CB-CD1 4.07Å; L262-I293 HydrophobicContact CB-CG2 4.45Å; L262-I293 HydrophobicContact CD1-CG2 4.15Å; F270-I293 HydrophobicContact CE2-CD1 3.71Å; F270-I293 HydrophobicContact CE2-CG1 3.87Å; F270-I293 HydrophobicContact CE2-CG2 4.43Å; F270-I293 HydrophobicContact CZ-CD1 4.49Å; I293-F303 WeakPolarHBondContact CA-O 3.16Å
294	A	95.2	Very high	92.1	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.6	175	0	0	0	0	0	110.1	L27 V29 F302 F303	L27-A294 HydrophobicContact CG-CB 4.35Å; V29-A294 HydrophobicContact CB-CB 4.38Å; V29-A294 HydrophobicContact CG2-CB 3.78Å; A294-F302 CarbonylContact O-C 3.58Å; A294-F302 VanDerWaalsContact O-CA 3.31Å; A294-F302 WeakPolarHBondContact O-CA 3.39Å; A294-F303 HydrophobicContact CB-CB 4.47Å; A294-F303 PolarHBondContact N-O 3.06Å; A294-F303 PolarHBondContact O-N 2.85Å
295	V	92.8	Very high	92.1	Very high	33 Å²	33	33.3 Å²	33.3	20%	0.2	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.3	-179.7	171.8	0	0	0	0	109.8	K254 L256 L262 F302	K254-V295 HydrophobicContact CD-CG2 4.46Å; K254-V295 HydrophobicContact CG-CG2 3.68Å; L256-V295 HydrophobicContact CD2-CG2 4.22Å; L262-V295 HydrophobicContact CD1-CG2 4.44Å; V295-F302 HydrophobicContact CG2-CB 4.06Å
296	R	91	Very high	92.1	Very high	87 Å²	87	28 Å²	28	33%	0.328	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121	174.4	-169.2	-177.3	-175.9	-166.6	1.1	110.3	V29 R33 E298 Q301 F303	V29-R296 HydrophobicContact CG1-CB 4.45Å; V29-R296 HydrophobicContact CG1-CG 4.38Å; R33-R296 HydrophobicContact CB-CG 4.01Å; R33-R296 VanDerWaalsContact O-CZ 3.29Å; R33-R296 PolarHBondContact O-NE 3.18Å; R33-R296 PolarHBondContact O-NH2 3.03Å; R296-E298 PolarHBondContact O-N 2.84Å; R296-Q301 HydrophobicContact CB-CB 4.42Å; R296-Q301 PolarHBondContact N-O 3.5Å; R296-Q301 VanDerWaalsContact NH1-OE1 3.09Å; R296-F303 HydrophobicContact CB-CE2 4.03Å
297	G	82.6	Confident	92	Very high	32 Å²	32	30.7 Å²	30.7	33%	0.33	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-133.7	-177.8	0	0	0	0	0	111.9	G299	G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 2.79Å
298	E	76.4	Confident	91.9	Very high	103 Å²	103	26.3 Å²	26.3	48%	0.481	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	12.5	-174.7	-54.9	-160	131.4	0	0	115	K257 R296	K257-E298 HydrophobicContact CD-CB 4.43Å; K257-E298 IonicContact NZ-OE1 3.53Å; K257-E298 PolarHBondContact NZ-OE1 3.36Å; R296-E298 PolarHBondContact O-N 2.84Å
299	G	74.8	Confident	91.9	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	6	-179.4	0	0	0	0	0	115.5	G297 Q301	G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 2.79Å; G299-Q301 PolarHBondContact O-N 2.94Å
300	H	81.9	Confident	91.8	Very high	138 Å²	138	25 Å²	25	64%	0.639	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.3	174.8	-66.8	90.3	0	0	0	112.6	Y316	H300-Y316 PolarHBondContact O-N 2.86Å
301	Q	90.4	Very high	91.7	Very high	41 Å²	41	25.2 Å²	25.2	19%	0.192	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.5	177	179.8	169.9	70.8	0	0	108.9	R296 G299 F303 R313 F314	R296-Q301 HydrophobicContact CB-CB 4.42Å; R296-Q301 PolarHBondContact N-O 3.5Å; R296-Q301 VanDerWaalsContact NH1-OE1 3.09Å; G299-Q301 PolarHBondContact O-N 2.94Å; Q301-F303 HydrophobicContact CG-CE1 4.29Å; Q301-F303 HydrophobicContact CG-CE2 4.25Å; Q301-F303 HydrophobicContact CG-CZ 3.9Å; Q301-R313 HydrophobicContact CG-CG 4.11Å; Q301-R313 VanDerWaalsContact NE2-CD 3.25Å; Q301-F314 WeakPolarHBondContact CA-O 3.44Å
302	F	92.7	Very high	91.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158	174.8	49.9	-94.5	0	0	0	110.4	L262 F270 A294 V295 F314 Y316 F319	L262-F302 HydrophobicContact CD1-CB 4.09Å; L262-F302 HydrophobicContact CD1-CD1 3.84Å; L262-F302 HydrophobicContact CD1-CD2 3.98Å; L262-F302 HydrophobicContact CD1-CE1 4.32Å; L262-F302 HydrophobicContact CD1-CE2 4.45Å; L262-F302 HydrophobicContact CD1-CG 3.68Å; L262-F302 HydrophobicContact CD2-CE1 4.33Å; L262-F302 HydrophobicContact CD2-CE2 4.21Å; L262-F302 HydrophobicContact CD2-CZ 4.12Å; F270-F302 HydrophobicContact CD1-CE2 4.33Å; F270-F302 AromaticContact CE1-CD2 3.74Å; F270-F302 HydrophobicContact CE1-CD2 3.74Å; F270-F302 AromaticContact CE1-CE2 3.23Å; F270-F302 HydrophobicContact CE1-CE2 3.23Å; F270-F302 HydrophobicContact CE1-CZ 4.18Å; F270-F302 AromaticContact CZ-CD2 3.6Å; F270-F302 HydrophobicContact CZ-CD2 3.6Å; F270-F302 AromaticContact CZ-CE2 3.62Å; F270-F302 HydrophobicContact CZ-CE2 3.62Å; A294-F302 CarbonylContact O-C 3.58Å; A294-F302 VanDerWaalsContact O-CA 3.31Å; A294-F302 WeakPolarHBondContact O-CA 3.39Å; V295-F302 HydrophobicContact CG2-CB 4.06Å; F302-F314 HydrophobicContact CD2-CB 3.56Å; F302-F314 AromaticContact CD2-CD2 3.99Å; F302-F314 HydrophobicContact CD2-CD2 3.99Å; F302-F314 AromaticContact CD2-CG 4Å; F302-F314 HydrophobicContact CD2-CG 4Å; F302-F314 HydrophobicContact CE1-CB 4.31Å; F302-F314 HydrophobicContact CE2-CB 3.03Å; F302-F314 HydrophobicContact CE2-CD1 4.06Å; F302-F314 AromaticContact CE2-CD2 3.78Å; F302-F314 HydrophobicContact CE2-CD2 3.78Å; F302-F314 AromaticContact CE2-CG 3.39Å; F302-F314 HydrophobicContact CE2-CG 3.39Å; F302-F314 HydrophobicContact CG-CB 4.35Å; F302-F314 HydrophobicContact CZ-CB 3.47Å; F302-F314 VanDerWaalsContact CZ-CB 3.47Å; F302-F314 HydrophobicContact CZ-CG 4.15Å; F302-F314 PolarHBondContact N-O 2.86Å; F302-F314 VanDerWaalsContact N-O 3.15Å; F302-F314 PolarHBondContact O-N 2.96Å; F302-Y316 HydrophobicContact CE1-CD2 4.44Å; F302-F319 HydrophobicContact CE2-CD2 4.34Å; F302-F319 AromaticContact CE2-CE2 3.98Å; F302-F319 HydrophobicContact CE2-CE2 3.98Å; F302-F319 AromaticContact CZ-CD2 3.58Å; F302-F319 HydrophobicContact CZ-CD2 3.58Å; F302-F319 AromaticContact CZ-CE2 3.53Å; F302-F319 HydrophobicContact CZ-CE2 3.53Å
303	F	95.9	Very high	91.6	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141	-174.9	-54.1	-81.6	0	0	0	110	L27 V29 F36 L49 I293 A294 R296 Q301 Y312 R313 I324	L27-F303 HydrophobicContact CD2-CB 4.16Å; V29-F303 HydrophobicContact CG2-CD2 3.77Å; V29-F303 HydrophobicContact CG2-CE2 3.89Å; F36-F303 HydrophobicContact CE1-CB 4.1Å; F36-F303 HydrophobicContact CE1-CD1 4.02Å; F36-F303 AromaticContact CE1-CD2 3.45Å; F36-F303 HydrophobicContact CE1-CD2 3.45Å; F36-F303 VanDerWaalsContact CE1-CD2 3.45Å; F36-F303 HydrophobicContact CE1-CE1 4.24Å; F36-F303 AromaticContact CE1-CE2 3.7Å; F36-F303 HydrophobicContact CE1-CE2 3.7Å; F36-F303 AromaticContact CE1-CG 3.59Å; F36-F303 HydrophobicContact CE1-CG 3.59Å; F36-F303 HydrophobicContact CE1-CZ 4.09Å; F36-F303 HydrophobicContact CE2-CE1 4.42Å; F36-F303 HydrophobicContact CZ-CB 4.26Å; F36-F303 AromaticContact CZ-CD1 3.47Å; F36-F303 HydrophobicContact CZ-CD1 3.47Å; F36-F303 VanDerWaalsContact CZ-CD1 3.47Å; F36-F303 AromaticContact CZ-CD2 3.74Å; F36-F303 HydrophobicContact CZ-CD2 3.74Å; F36-F303 AromaticContact CZ-CE1 3.51Å; F36-F303 HydrophobicContact CZ-CE1 3.51Å; F36-F303 AromaticContact CZ-CE2 3.78Å; F36-F303 HydrophobicContact CZ-CE2 3.78Å; F36-F303 AromaticContact CZ-CG 3.55Å; F36-F303 HydrophobicContact CZ-CG 3.55Å; F36-F303 AromaticContact CZ-CZ 3.67Å; F36-F303 HydrophobicContact CZ-CZ 3.67Å; L49-F303 HydrophobicContact CD2-CE1 4.44Å; L49-F303 HydrophobicContact CD2-CE2 4.38Å; L49-F303 HydrophobicContact CD2-CZ 3.85Å; I293-F303 WeakPolarHBondContact CA-O 3.16Å; A294-F303 HydrophobicContact CB-CB 4.47Å; A294-F303 PolarHBondContact N-O 3.06Å; A294-F303 PolarHBondContact O-N 2.85Å; R296-F303 HydrophobicContact CB-CE2 4.03Å; Q301-F303 HydrophobicContact CG-CE1 4.29Å; Q301-F303 HydrophobicContact CG-CE2 4.25Å; Q301-F303 HydrophobicContact CG-CZ 3.9Å; F303-Y312 CarbonylContact C-O 3.59Å; F303-Y312 WeakPolarHBondContact CA-O 3.26Å; F303-R313 HydrophobicContact CD1-CB 3.83Å; F303-R313 HydrophobicContact CD1-CG 3.94Å; F303-R313 HydrophobicContact CE1-CB 3.85Å; F303-R313 HydrophobicContact CE1-CG 3.54Å; F303-R313 HydrophobicContact CZ-CG 4.47Å; F303-I324 HydrophobicContact CD1-CD1 3.87Å; F303-I324 HydrophobicContact CE1-CD1 3.89Å
304	A	97	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123	177.6	0	0	0	0	0	109.6	F270 L286 V290 S292 I311 Y312 F314	F270-A304 HydrophobicContact CD2-CB 3.96Å; F270-A304 HydrophobicContact CE2-CB 4.02Å; L286-A304 HydrophobicContact CD1-CB 3.89Å; V290-A304 HydrophobicContact CG1-CB 4.33Å; S292-A304 WeakPolarHBondContact O-CA 3.47Å; A304-I311 WeakPolarHBondContact O-CA 3.4Å; A304-Y312 PolarHBondContact N-O 2.93Å; A304-Y312 PolarHBondContact O-N 2.82Å; A304-F314 HydrophobicContact CB-CE2 3.99Å
305	G	97.2	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.6	170.1	0	0	0	0	0	110.6	T291 S292 Q310	T291-G305 PolarHBondContact N-O 3.08Å; T291-G305 PolarHBondContact OG1-O 2.85Å; S292-G305 PolarHBondContact N-O 2.95Å; S292-G305 PolarHBondContact O-N 3.32Å; G305-Q310 WeakPolarHBondContact CA-O 3.31Å
306	T	96.9	Very high	90.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	159.9	-178.8	76.5	0	0	0	0	113.6	G21 L286 E287 G289 A308 A309 Q310 Y312	G21-T306 WeakPolarHBondContact CA-O 3.47Å; L286-T306 HydrophobicContact CB-CG2 4.09Å; L286-T306 HydrophobicContact CD1-CG2 4.11Å; E287-T306 WeakPolarHBondContact O-CB 3.24Å; E287-T306 PolarHBondContact O-OG1 2.65Å; G289-T306 CarbonylContact O-C 3.58Å; G289-T306 WeakPolarHBondContact O-CA 3.45Å; G289-T306 WeakPolarHBondContact O-CB 3.41Å; T306-A308 PolarHBondContact O-N 2.88Å; T306-A308 PolarHBondContact OG1-N 2.9Å; T306-A309 PolarHBondContact O-N 3.14Å; T306-A309 VanDerWaalsContact O-N 3.1Å; T306-Q310 PolarHBondContact N-O 2.91Å; T306-Y312 HydrophobicContact CG2-CD2 3.96Å; T306-Y312 HydrophobicContact CG2-CE2 3.73Å
307	E	94.6	Very high	90.5	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.6	172.8	-66.4	175.3	176.1	0	0	112.5	G289 T291 A309	G289-E307 PolarHBondContact O-N 3.41Å; T291-E307 HydrophobicContact CG2-CB 4.47Å; T291-E307 HydrophobicContact CG2-CG 3.35Å; E307-A309 PolarHBondContact O-N 2.85Å; E307-A309 VanDerWaalsContact O-N 3.15Å
308	A	92.4	Very high	90.6	Very high	9 Å²	9	37.8 Å²	37.8	7%	0.074	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	15.4	174.9	0	0	0	0	0	113.3	E287 T306 Q310	E287-A308 HydrophobicContact CB-CB 4.45Å; E287-A308 HydrophobicContact CG-CB 4.13Å; E287-A308 VanDerWaalsContact O-CB 3.3Å; E287-A308 WeakPolarHBondContact O-CB 3.38Å; T306-A308 PolarHBondContact O-N 2.88Å; T306-A308 PolarHBondContact OG1-N 2.9Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 HydrophobicContact CB-CG 4.32Å; A308-Q310 WeakPolarHBondContact O-CG 3.38Å; A308-Q310 PolarHBondContact O-N 2.85Å
309	A	93.1	Very high	91.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	17%	0.168	C	C	.	.	S	Bend	trans	58.1	40.5	-179.3	0	0	0	0	0	112.9	F19 T306 E307 S327 H328 N329	F19-A309 VanDerWaalsContact O-CB 3.24Å; F19-A309 WeakPolarHBondContact O-CB 3.25Å; T306-A309 PolarHBondContact O-N 3.14Å; T306-A309 VanDerWaalsContact O-N 3.1Å; E307-A309 PolarHBondContact O-N 2.85Å; E307-A309 VanDerWaalsContact O-N 3.15Å; A309-S327 WeakPolarHBondContact CB-OG 3.44Å; A309-S327 PolarHBondContact O-N 2.74Å; A309-S327 VanDerWaalsContact O-N 3.08Å; A309-S327 PolarHBondContact O-OG 3.46Å; A309-S327 VanDerWaalsContact O-OG 3.13Å; A309-H328 WeakPolarHBondContact CB-O 3.39Å; A309-N329 HydrophobicContact CB-CB 4.1Å
310	Q	94.5	Very high	92.1	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.4	179	-57.1	-168.6	11.8	0	0	111.7	E287 G305 T306 A308 Y312 L323	E287-Q310 PolarHBondContact OE2-NE2 3.34Å; G305-Q310 WeakPolarHBondContact CA-O 3.31Å; T306-Q310 PolarHBondContact N-O 2.91Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 HydrophobicContact CB-CG 4.32Å; A308-Q310 WeakPolarHBondContact O-CG 3.38Å; A308-Q310 PolarHBondContact O-N 2.85Å; Q310-Y312 HydrophobicContact CB-CD2 4.39Å; Q310-Y312 HydrophobicContact CB-CE2 3.79Å; Q310-Y312 PolarHBondContact OE1-OH 2.87Å; Q310-L323 HydrophobicContact CB-CD1 3.84Å; Q310-L323 HydrophobicContact CG-CD1 4.28Å
311	I	95.4	Very high	92.6	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.5	173.4	-55	176.7	0	0	0	108.6	F19 L27 A304 I324 A325	F19-I311 HydrophobicContact CB-CD1 4.36Å; F19-I311 HydrophobicContact CB-CG1 4.49Å; F19-I311 HydrophobicContact CD1-CG1 4.02Å; F19-I311 HydrophobicContact CD2-CD1 4Å; F19-I311 HydrophobicContact CD2-CG1 4.31Å; F19-I311 HydrophobicContact CE1-CG1 4.37Å; F19-I311 HydrophobicContact CG-CD1 4.04Å; F19-I311 HydrophobicContact CG-CG1 4Å; L27-I311 HydrophobicContact CD1-CD1 4.05Å; L27-I311 HydrophobicContact CD2-CD1 4.35Å; L27-I311 HydrophobicContact CD2-CG1 4.31Å; L27-I311 HydrophobicContact CD2-CG2 3.73Å; A304-I311 WeakPolarHBondContact O-CA 3.4Å; I311-I324 HydrophobicContact CB-CG1 4.22Å; I311-I324 HydrophobicContact CG2-CD1 3.88Å; I311-I324 HydrophobicContact CG2-CG1 3.91Å; I311-I324 WeakPolarHBondContact O-CG1 3.5Å; I311-I324 PolarHBondContact O-N 3.39Å; I311-A325 HydrophobicContact CB-CB 4.16Å; I311-A325 HydrophobicContact CD1-CB 4.25Å; I311-A325 HydrophobicContact CG1-CB 4.4Å; I311-A325 PolarHBondContact N-O 3.03Å; I311-A325 PolarHBondContact O-N 3.33Å
312	Y	96.1	Very high	92.8	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.6	175.8	-61.9	-91.5	0	0	0	110.8	L286 E287 F303 A304 T306 Q310 E321 E322 L323	L286-Y312 HydrophobicContact CB-CD2 4.43Å; L286-Y312 HydrophobicContact CB-CE2 3.95Å; L286-Y312 HydrophobicContact CD1-CD2 3.82Å; L286-Y312 HydrophobicContact CD1-CE2 4.19Å; L286-Y312 HydrophobicContact CD1-CG 4.29Å; L286-Y312 HydrophobicContact CD2-CD1 3.88Å; L286-Y312 HydrophobicContact CD2-CD2 3.86Å; L286-Y312 HydrophobicContact CD2-CE1 3.93Å; L286-Y312 HydrophobicContact CD2-CE2 3.88Å; L286-Y312 HydrophobicContact CD2-CG 3.81Å; L286-Y312 HydrophobicContact CG-CD2 4.26Å; L286-Y312 HydrophobicContact CG-CE2 4.23Å; E287-Y312 WeakPolarHBondContact CB-OH 3.35Å; E287-Y312 PolarHBondContact N-OH 2.84Å; F303-Y312 CarbonylContact C-O 3.59Å; F303-Y312 WeakPolarHBondContact CA-O 3.26Å; A304-Y312 PolarHBondContact N-O 2.93Å; A304-Y312 PolarHBondContact O-N 2.82Å; T306-Y312 HydrophobicContact CG2-CD2 3.96Å; T306-Y312 HydrophobicContact CG2-CE2 3.73Å; Q310-Y312 HydrophobicContact CB-CD2 4.39Å; Q310-Y312 HydrophobicContact CB-CE2 3.79Å; Q310-Y312 PolarHBondContact OE1-OH 2.87Å; Y312-E321 HydrophobicContact CD1-CB 4.18Å; Y312-E322 CarbonylContact C-O 3.53Å; Y312-E322 WeakPolarHBondContact CA-O 3.3Å; Y312-L323 HydrophobicContact CD1-CB 4.19Å; Y312-L323 HydrophobicContact CD1-CD1 4.19Å; Y312-L323 HydrophobicContact CE1-CB 4.15Å; Y312-L323 HydrophobicContact CE1-CD1 3.96Å
313	R	95.4	Very high	92.8	Very high	85 Å²	85	43.3 Å²	43.3	32%	0.321	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.7	172.4	-178.8	173.3	88.5	170.9	-1.4	109.1	Q301 F303 E322 I324	Q301-R313 HydrophobicContact CG-CG 4.11Å; Q301-R313 VanDerWaalsContact NE2-CD 3.25Å; F303-R313 HydrophobicContact CD1-CB 3.83Å; F303-R313 HydrophobicContact CD1-CG 3.94Å; F303-R313 HydrophobicContact CE1-CB 3.85Å; F303-R313 HydrophobicContact CE1-CG 3.54Å; F303-R313 HydrophobicContact CZ-CG 4.47Å; R313-E322 HydrophobicContact CB-CB 4.4Å; R313-E322 IonicContact CZ-OE1 2.92Å; R313-E322 IonicContact CZ-OE2 3.74Å; R313-E322 PolarHBondContact N-O 2.91Å; R313-E322 IonicContact NE-OE1 3.72Å; R313-E322 IonicContact NE-OE2 2.84Å; R313-E322 PolarHBondContact NE-OE2 2.88Å; R313-E322 IonicContact NH2-OE1 3.79Å; R313-E322 PolarHBondContact NH2-OE1 3.26Å; R313-E322 IonicContact NH2-OE2 3.91Å; R313-E322 PolarHBondContact NH2-OE2 2.59Å; R313-E322 PolarHBondContact O-N 2.86Å; R313-I324 HydrophobicContact CB-CD1 4.32Å; R313-I324 HydrophobicContact CB-CG1 4.44Å; R313-I324 HydrophobicContact CB-CG2 3.71Å
314	F	94.8	Very high	92.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.5	177.1	-67.7	-97.6	0	0	0	110.3	F270 V284 L286 Q301 F302 A304 K320 E321	F270-F314 HydrophobicContact CB-CZ 4.41Å; F270-F314 HydrophobicContact CD1-CD2 4.5Å; F270-F314 HydrophobicContact CD1-CE1 4.06Å; F270-F314 AromaticContact CD1-CE2 3.98Å; F270-F314 HydrophobicContact CD1-CE2 3.98Å; F270-F314 AromaticContact CD1-CZ 3.72Å; F270-F314 HydrophobicContact CD1-CZ 3.72Å; F270-F314 HydrophobicContact CE1-CD2 4.38Å; F270-F314 HydrophobicContact CE1-CE2 4.27Å; F270-F314 HydrophobicContact CE1-CZ 4.36Å; F270-F314 HydrophobicContact CG-CE2 4.35Å; F270-F314 HydrophobicContact CG-CZ 4.17Å; V284-F314 HydrophobicContact CB-CE1 4.26Å; V284-F314 HydrophobicContact CG1-CE1 4.38Å; V284-F314 HydrophobicContact CG2-CE1 4.21Å; L286-F314 HydrophobicContact CD1-CE2 4.29Å; L286-F314 HydrophobicContact CD1-CZ 4.18Å; L286-F314 HydrophobicContact CD2-CZ 3.97Å; L286-F314 HydrophobicContact CG-CZ 4.49Å; Q301-F314 WeakPolarHBondContact CA-O 3.44Å; F302-F314 HydrophobicContact CD2-CB 3.56Å; F302-F314 AromaticContact CD2-CD2 3.99Å; F302-F314 HydrophobicContact CD2-CD2 3.99Å; F302-F314 AromaticContact CD2-CG 4Å; F302-F314 HydrophobicContact CD2-CG 4Å; F302-F314 HydrophobicContact CE1-CB 4.31Å; F302-F314 HydrophobicContact CE2-CB 3.03Å; F302-F314 HydrophobicContact CE2-CD1 4.06Å; F302-F314 AromaticContact CE2-CD2 3.78Å; F302-F314 HydrophobicContact CE2-CD2 3.78Å; F302-F314 AromaticContact CE2-CG 3.39Å; F302-F314 HydrophobicContact CE2-CG 3.39Å; F302-F314 HydrophobicContact CG-CB 4.35Å; F302-F314 HydrophobicContact CZ-CB 3.47Å; F302-F314 VanDerWaalsContact CZ-CB 3.47Å; F302-F314 HydrophobicContact CZ-CG 4.15Å; F302-F314 PolarHBondContact N-O 2.86Å; F302-F314 VanDerWaalsContact N-O 3.15Å; F302-F314 PolarHBondContact O-N 2.96Å; A304-F314 HydrophobicContact CB-CE2 3.99Å; F314-K320 WeakPolarHBondContact CD1-O 3.04Å; F314-E321 HydrophobicContact CD1-CB 4.33Å; F314-E321 HydrophobicContact CE1-CB 3.61Å; F314-E321 HydrophobicContact CE2-CB 4.48Å; F314-E321 HydrophobicContact CZ-CB 3.72Å
315	G	90.3	Very high	92.3	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	151.4	160.8	0	0	0	0	0	111.1	D318 F319	G315-D318 WeakPolarHBondContact CA-OD1 3.44Å; G315-D318 PolarHBondContact N-OD1 2.64Å; G315-F319 VanDerWaalsContact O-CA 3.26Å; G315-F319 WeakPolarHBondContact O-CA 3.49Å; G315-F319 PolarHBondContact O-N 3.43Å
316	Y	82.4	Confident	92.1	Very high	80 Å²	80	48.1 Å²	48.1	31%	0.314	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-42.1	177.6	-177.1	-99	0	0	0	112.8	L256 D260 H300 F302	L256-Y316 HydrophobicContact CD1-CD2 4.03Å; L256-Y316 HydrophobicContact CD1-CE2 3.63Å; D260-Y316 PolarHBondContact OD2-OH 2.84Å; H300-Y316 PolarHBondContact O-N 2.86Å; F302-Y316 HydrophobicContact CE1-CD2 4.44Å
317	T	84.7	Confident	91.8	Very high	125 Å²	125	48.2 Å²	48.2	77%	0.767	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-49.8	-173.9	47.3	0	0	0	0	112.1	K282	K282-T317 PolarHBondContact NZ-O 2.83Å
318	D	85.3	Confident	91.6	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-37.1	-179.9	59.5	-7.8	0	0	0	112.1	G315 K320	G315-D318 WeakPolarHBondContact CA-OD1 3.44Å; G315-D318 PolarHBondContact N-OD1 2.64Å; D318-K320 HydrophobicContact CB-CB 4.22Å; D318-K320 PolarHBondContact O-N 3.15Å
319	F	90.9	Very high	91.5	Very high	10 Å²	10	48.2 Å²	48.2	4%	0.044	25%	0.245	C	C	.	.			trans	52	37.2	-171.7	-156	-95.2	0	0	0	111.6	L262 F270 L272 K282 V284 F302 G315	L262-F319 HydrophobicContact CD2-CE2 3.92Å; F270-F319 HydrophobicContact CD1-CE1 4.17Å; F270-F319 HydrophobicContact CD1-CE2 4.33Å; F270-F319 AromaticContact CD1-CZ 3.61Å; F270-F319 HydrophobicContact CD1-CZ 3.61Å; F270-F319 AromaticContact CE1-CE2 3.9Å; F270-F319 HydrophobicContact CE1-CE2 3.9Å; F270-F319 AromaticContact CE1-CZ 3.62Å; F270-F319 HydrophobicContact CE1-CZ 3.62Å; L272-F319 HydrophobicContact CB-CD2 4.37Å; L272-F319 HydrophobicContact CB-CE2 3.65Å; L272-F319 HydrophobicContact CB-CZ 3.84Å; L272-F319 HydrophobicContact CD2-CE2 4.49Å; K282-F319 HydrophobicContact CB-CB 4.49Å; K282-F319 HydrophobicContact CB-CD1 3.54Å; K282-F319 HydrophobicContact CB-CD2 4.42Å; K282-F319 HydrophobicContact CB-CE1 3.78Å; K282-F319 HydrophobicContact CB-CG 3.91Å; K282-F319 HydrophobicContact CB-CZ 4.34Å; K282-F319 HydrophobicContact CD-CB 3.31Å; K282-F319 HydrophobicContact CD-CD1 4.01Å; K282-F319 HydrophobicContact CD-CD2 4.14Å; K282-F319 HydrophobicContact CD-CG 3.57Å; K282-F319 HydrophobicContact CG-CD1 4.45Å; K282-F319 HydrophobicContact CG-CG 4.41Å; V284-F319 HydrophobicContact CG2-CD1 3.9Å; V284-F319 HydrophobicContact CG2-CE1 3.99Å; F302-F319 HydrophobicContact CE2-CD2 4.34Å; F302-F319 AromaticContact CE2-CE2 3.98Å; F302-F319 HydrophobicContact CE2-CE2 3.98Å; F302-F319 AromaticContact CZ-CD2 3.58Å; F302-F319 HydrophobicContact CZ-CD2 3.58Å; F302-F319 AromaticContact CZ-CE2 3.53Å; F302-F319 HydrophobicContact CZ-CE2 3.53Å; G315-F319 VanDerWaalsContact O-CA 3.26Å; G315-F319 WeakPolarHBondContact O-CA 3.49Å; G315-F319 PolarHBondContact O-N 3.43Å
320	K	91.3	Very high	91.4	Very high	139 Å²	139	49.4 Å²	49.4	60%	0.604	25%	0.253	S	S	*	.			trans	-98.3	135.6	177.7	-173.7	179.9	177	-175	0	109.1	F314 D318	F314-K320 WeakPolarHBondContact CD1-O 3.04Å; D318-K320 HydrophobicContact CB-CB 4.22Å; D318-K320 PolarHBondContact O-N 3.15Å
321	E	93.9	Very high	91.3	Very high	83 Å²	83	50.9 Å²	50.9	39%	0.388	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.5	176	71.3	-68.4	174.3	0	0	111.7	V284 L286 Y312 F314	V284-E321 HydrophobicContact CG1-CB 4.1Å; V284-E321 HydrophobicContact CG1-CG 3.98Å; V284-E321 VanDerWaalsContact CG1-OE2 3.31Å; V284-E321 WeakPolarHBondContact CG1-OE2 3.39Å; L286-E321 HydrophobicContact CD2-CB 4.1Å; L286-E321 HydrophobicContact CD2-CG 4.42Å; Y312-E321 HydrophobicContact CD1-CB 4.18Å; F314-E321 HydrophobicContact CD1-CB 4.33Å; F314-E321 HydrophobicContact CE1-CB 3.61Å; F314-E321 HydrophobicContact CE2-CB 4.48Å; F314-E321 HydrophobicContact CZ-CB 3.72Å
322	E	94.6	Very high	91.3	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118	171	-177.8	-173.7	172.5	0	0	108.8	Y312 R313 I324	Y312-E322 CarbonylContact C-O 3.53Å; Y312-E322 WeakPolarHBondContact CA-O 3.3Å; R313-E322 HydrophobicContact CB-CB 4.4Å; R313-E322 IonicContact CZ-OE1 2.92Å; R313-E322 IonicContact CZ-OE2 3.74Å; R313-E322 PolarHBondContact N-O 2.91Å; R313-E322 IonicContact NE-OE1 3.72Å; R313-E322 IonicContact NE-OE2 2.84Å; R313-E322 PolarHBondContact NE-OE2 2.88Å; R313-E322 IonicContact NH2-OE1 3.79Å; R313-E322 PolarHBondContact NH2-OE1 3.26Å; R313-E322 IonicContact NH2-OE2 3.91Å; R313-E322 PolarHBondContact NH2-OE2 2.59Å; R313-E322 PolarHBondContact O-N 2.86Å; E322-I324 HydrophobicContact CG-CG2 4.31Å; E322-I324 PolarHBondContact O-N 3.22Å
323	L	92.8	Very high	91.3	Very high	79 Å²	79	52 Å²	52	41%	0.414	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.4	176.6	-178.8	65	0	0	0	109.5	Q310 Y312 A325	Q310-L323 HydrophobicContact CB-CD1 3.84Å; Q310-L323 HydrophobicContact CG-CD1 4.28Å; Y312-L323 HydrophobicContact CD1-CB 4.19Å; Y312-L323 HydrophobicContact CD1-CD1 4.19Å; Y312-L323 HydrophobicContact CE1-CB 4.15Å; Y312-L323 HydrophobicContact CE1-CD1 3.96Å; L323-A325 WeakPolarHBondContact CD1-O 3.23Å
324	I	92	Very high	91.3	Very high	59 Å²	59	49.6 Å²	49.6	30%	0.303	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-22.2	-177.7	59.2	162.3	0	0	0	113.7	F36 F303 I311 R313 E322	F36-I324 HydrophobicContact CE2-CD1 3.78Å; F36-I324 HydrophobicContact CZ-CD1 3.87Å; F303-I324 HydrophobicContact CD1-CD1 3.87Å; F303-I324 HydrophobicContact CE1-CD1 3.89Å; I311-I324 HydrophobicContact CB-CG1 4.22Å; I311-I324 HydrophobicContact CG2-CD1 3.88Å; I311-I324 HydrophobicContact CG2-CG1 3.91Å; I311-I324 WeakPolarHBondContact O-CG1 3.5Å; I311-I324 PolarHBondContact O-N 3.39Å; R313-I324 HydrophobicContact CB-CD1 4.32Å; R313-I324 HydrophobicContact CB-CG1 4.44Å; R313-I324 HydrophobicContact CB-CG2 3.71Å; E322-I324 HydrophobicContact CG-CG2 4.31Å; E322-I324 PolarHBondContact O-N 3.22Å
325	A	89.9	Confident	91.4	Very high	26 Å²	26	49.8 Å²	49.8	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	144.4	174.5	0	0	0	0	0	110.1	I311 L323	I311-A325 HydrophobicContact CB-CB 4.16Å; I311-A325 HydrophobicContact CD1-CB 4.25Å; I311-A325 HydrophobicContact CG1-CB 4.4Å; I311-A325 PolarHBondContact N-O 3.03Å; I311-A325 PolarHBondContact O-N 3.33Å; L323-A325 WeakPolarHBondContact CD1-O 3.23Å
326	T	92.1	Very high	91.7	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.2	177.6	-175.1	0	0	0	0	109.3	R354 W356 E363 R366	T326-R354 PolarHBondContact OG1-NH1 3.45Å; T326-W356 WeakPolarHBondContact O-CH2 3.24Å; T326-E363 HydrophobicContact CG2-CB 3.92Å; T326-E363 HydrophobicContact CG2-CG 4.42Å; T326-E363 WeakPolarHBondContact CG2-OE2 3.46Å; T326-R366 PolarHBondContact OG1-NH2 3.39Å
327	S	90.9	Very high	92.2	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	25%	0.25	C	S	.	.			trans	-154.4	175.3	178.6	50.7	0	0	0	0	110.3	G18 F19 A309 R354	G18-S327 VanDerWaalsContact CA-CB 3.48Å; G18-S327 WeakPolarHBondContact CA-OG 3.37Å; F19-S327 PolarHBondContact N-OG 3.49Å; A309-S327 WeakPolarHBondContact CB-OG 3.44Å; A309-S327 PolarHBondContact O-N 2.74Å; A309-S327 VanDerWaalsContact O-N 3.08Å; A309-S327 PolarHBondContact O-OG 3.46Å; A309-S327 VanDerWaalsContact O-OG 3.13Å; S327-R354 VanDerWaalsContact O-CZ 3.24Å; S327-R354 PolarHBondContact O-NH1 3.13Å; S327-R354 PolarHBondContact O-NH2 3.13Å
328	H	91.4	Very high	92.6	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.023	22%	0.217	C	C	.	.			trans	-66.1	136.5	171.5	-67.7	-67.4	0	0	0	110.1	A309 V332 T347 S349 D352	A309-H328 WeakPolarHBondContact CB-O 3.39Å; H328-V332 HydrophobicContact CB-CG2 3.67Å; H328-V332 WeakPolarHBondContact CD2-CG2 3.15Å; H328-T347 PolarHBondContact NE2-OG1 3.41Å; H328-S349 VanDerWaalsContact ND1-CB 3.25Å; H328-S349 WeakPolarHBondContact ND1-CB 3.25Å; H328-S349 PolarHBondContact ND1-OG 2.91Å; H328-D352 IonicContact CE1-OD1 2.69Å; H328-D352 PolarHBondContact CE1-OD1 3.48Å; H328-D352 IonicContact ND1-OD1 3.46Å; H328-D352 PolarHBondContact ND1-OD1 2.67Å
329	N	89.3	Confident	92.8	Very high	66 Å²	66	41.7 Å²	41.7	35%	0.353	22%	0.216	S	C	.	.	S	Bend	trans	-92.6	-6.3	174.8	67.4	-8.2	0	0	0	112.6	A309	A309-N329 HydrophobicContact CB-CB 4.1Å
330	S	90.8	Very high	92.5	Very high	27 Å²	27	44.2 Å²	44.2	19%	0.189	25%	0.245	C	C	.	.	S	Bend	trans	-135.7	174.4	-173.1	-56.7	0	0	0	0	109.6	V332 G606	S330-V332 PolarHBondContact O-N 2.72Å; S330-G606 VanDerWaalsContact O-CA 3.25Å; S330-G606 WeakPolarHBondContact O-CA 3.48Å
331	A	92.3	Very high	92.4	Very high	33 Å²	33	39.1 Å²	39.1	27%	0.273	23%	0.227	S	C	.	.			trans	-52.4	130.3	177.3	0	0	0	0	0	111.8	S349 A604	A331-S349 WeakPolarHBondContact O-CA 3.43Å; A331-A604 WeakPolarHBondContact CA-O 3.5Å; A331-A604 HydrophobicContact CB-CB 4.32Å
332	V	95.9	Very high	92.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.215	C	C	.	.			trans	-89	120.1	171.3	-174.8	0	0	0	0	107	H328 S330 T347 C348 T588 T602 S603 V608	H328-V332 HydrophobicContact CB-CG2 3.67Å; H328-V332 WeakPolarHBondContact CD2-CG2 3.15Å; S330-V332 PolarHBondContact O-N 2.72Å; V332-T347 HydrophobicContact CG1-CG2 4.36Å; V332-C348 CarbonylContact C-O 3.52Å; V332-C348 WeakPolarHBondContact CA-O 3.41Å; V332-C348 WeakPolarHBondContact CG1-O 3.4Å; V332-T588 VanDerWaalsContact O-CB 3.3Å; V332-T588 WeakPolarHBondContact O-CB 3.42Å; V332-T588 WeakPolarHBondContact O-CG2 3.34Å; V332-T588 PolarHBondContact O-OG1 2.88Å; V332-T602 HydrophobicContact CB-CG2 4.25Å; V332-T602 HydrophobicContact CG1-CG2 3.53Å; V332-S603 PolarHBondContact N-O 3.02Å; V332-V608 HydrophobicContact CG2-CG2 4.22Å
333	N	95.9	Very high	91.9	Very high	50 Å²	50	38 Å²	38	27%	0.267	22%	0.224	S	C	.	.			trans	-88.4	-37	-171.1	-65.7	-43.4	0	0	0	112.4	C348 C374	N333-C348 PolarHBondContact N-O 3.41Å; N333-C374 PolarHBondContact ND2-O 3.4Å
334	D	96.5	Very high	91.9	Very high	33 Å²	33	36.5 Å²	36.5	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.9	-176	-156.7	11.4	0	0	0	113	T347 C348 A376 L377 S589	D334-T347 WeakPolarHBondContact O-CA 3.26Å; D334-C348 VanDerWaalsContact CB-SG 3.59Å; D334-C348 PolarHBondContact N-SG 2.65Å; D334-C348 PolarHBondContact O-N 3.43Å; D334-C348 VanDerWaalsContact O-N 3.08Å; D334-A376 WeakPolarHBondContact OD2-CA 3.46Å; D334-L377 HydrophobicContact CB-CD2 4.5Å; D334-L377 PolarHBondContact OD2-N 3.09Å; D334-L377 VanDerWaalsContact OD2-N 3.14Å; D334-S589 WeakPolarHBondContact OD1-CB 3.31Å; D334-S589 PolarHBondContact OD1-OG 3.31Å
335	V	96.9	Very high	92	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.6	177.2	55.7	0	0	0	0	110.6	F345 A346 T347 T591 V600 T602	V335-F345 HydrophobicContact CG2-CD2 3.99Å; V335-A346 VanDerWaalsContact CA-O 3.28Å; V335-A346 WeakPolarHBondContact CA-O 3.09Å; V335-A346 WeakPolarHBondContact CG2-O 3.2Å; V335-T347 HydrophobicContact CB-CG2 4.27Å; V335-T347 HydrophobicContact CG2-CG2 4.07Å; V335-T591 HydrophobicContact CB-CG2 4.3Å; V335-T591 HydrophobicContact CG1-CG2 3.64Å; V335-T591 HydrophobicContact CG2-CG2 3.81Å; V335-V600 HydrophobicContact CG2-CB 4.29Å; V335-V600 HydrophobicContact CG2-CG1 3.88Å; V335-T602 HydrophobicContact CB-CG2 3.73Å; V335-T602 HydrophobicContact CG1-CG2 3.88Å; V335-T602 HydrophobicContact CG2-CG2 4.47Å
336	A	95.4	Very high	92.4	Very high	7 Å²	7	32.5 Å²	32.5	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.6	174.6	0	0	0	0	0	111.5	F345 A346 L377 F379	A336-F345 WeakPolarHBondContact O-CA 3.33Å; A336-A346 PolarHBondContact N-O 2.82Å; A336-A346 PolarHBondContact O-N 2.7Å; A336-L377 HydrophobicContact CB-CD1 3.47Å; A336-L377 VanDerWaalsContact CB-CD1 3.47Å; A336-L377 HydrophobicContact CB-CG 4.28Å; A336-F379 HydrophobicContact CB-CD2 4.01Å; A336-F379 HydrophobicContact CB-CE2 4.42Å; A336-F379 WeakPolarHBondContact O-CE2 3.11Å
337	F	94.2	Very high	92.6	Very high	20 Å²	20	31.7 Å²	31.7	9%	0.088	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-94.9	144.5	165	-82.4	-86.3	0	0	0	109.5	L344 F345 T591 V600	F337-L344 WeakPolarHBondContact CD1-O 3.34Å; F337-F345 HydrophobicContact CD1-CB 3.89Å; F337-F345 HydrophobicContact CD2-CB 4.41Å; F337-F345 HydrophobicContact CE1-CB 3.77Å; F337-F345 HydrophobicContact CE1-CD1 4.26Å; F337-F345 HydrophobicContact CE1-CG 4.44Å; F337-F345 HydrophobicContact CE2-CB 4.3Å; F337-F345 HydrophobicContact CG-CB 4.21Å; F337-F345 HydrophobicContact CZ-CB 3.98Å; F337-F345 HydrophobicContact CZ-CD1 4.24Å; F337-F345 HydrophobicContact CZ-CG 4.38Å; F337-T591 HydrophobicContact CD2-CG2 3.54Å; F337-T591 HydrophobicContact CE2-CG2 3.67Å; F337-V600 HydrophobicContact CE2-CB 4.15Å; F337-V600 HydrophobicContact CE2-CG2 3.76Å; F337-V600 HydrophobicContact CZ-CB 4.47Å; F337-V600 HydrophobicContact CZ-CG2 3.61Å
338	P	92.9	Very high	92.9	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.071	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-64.7	149.3	164.3	33.5	-37.5	0	0	0	109.9	G340 S341 L344 F379	P338-G340 PolarHBondContact O-N 2.97Å; P338-S341 PolarHBondContact O-N 3.13Å; P338-S341 VanDerWaalsContact O-O 3.11Å; P338-L344 HydrophobicContact CB-CD1 4.37Å; P338-L344 WeakPolarHBondContact CD-O 3.35Å; P338-L344 HydrophobicContact CG-CD1 3.58Å; P338-L344 HydrophobicContact CG-CG 3.81Å; P338-F379 HydrophobicContact CB-CB 4.42Å; P338-F379 HydrophobicContact CB-CD1 4.19Å; P338-F379 HydrophobicContact CB-CD2 4.36Å; P338-F379 HydrophobicContact CB-CG 4.1Å
339	F	88.7	Confident	93	Very high	111 Å²	111	31.3 Å²	31.3	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	131.5	178.6	-177.9	-100.8	0	0	0	111.5	S341 I381	F339-S341 PolarHBondContact O-N 3.44Å; F339-I381 HydrophobicContact CB-CD1 3.48Å; F339-I381 VanDerWaalsContact CB-CD1 3.48Å; F339-I381 HydrophobicContact CB-CG1 3.88Å; F339-I381 HydrophobicContact CD1-CD1 3.53Å; F339-I381 HydrophobicContact CD1-CG1 3.62Å; F339-I381 HydrophobicContact CD2-CD1 3.47Å; F339-I381 VanDerWaalsContact CD2-CD1 3.47Å; F339-I381 HydrophobicContact CD2-CG1 4.45Å; F339-I381 HydrophobicContact CE1-CD1 4.07Å; F339-I381 HydrophobicContact CE1-CG1 4.25Å; F339-I381 HydrophobicContact CE2-CD1 4.02Å; F339-I381 HydrophobicContact CG-CD1 3.18Å; F339-I381 HydrophobicContact CG-CG1 3.73Å; F339-I381 HydrophobicContact CZ-CD1 4.29Å
340	G	85.3	Confident	93.1	Very high	64 Å²	64	32.4 Å²	32.4	66%	0.66	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	2.9	175.3	0	0	0	0	0	115	P338 S594	P338-G340 PolarHBondContact O-N 2.97Å; G340-S594 PolarHBondContact N-OG 3.28Å
341	S	88.2	Confident	93	Very high	32 Å²	32	33.2 Å²	33.2	22%	0.224	19%	0.19	C	C	.	.			trans	-126	134.4	171.3	172.5	0	0	0	0	110.9	P338 F339 E343	P338-S341 PolarHBondContact O-N 3.13Å; P338-S341 VanDerWaalsContact O-O 3.11Å; F339-S341 PolarHBondContact O-N 3.44Å; S341-E343 PolarHBondContact OG-N 2.68Å
342	S	87.8	Confident	93	Very high	19 Å²	19	32.2 Å²	32.2	13%	0.133	18%	0.18	C	C	.	.			trans	-107.8	-0	174.1	-65.2	0	0	0	0	112.4	L344 A358 S593 S594 D595	S342-L344 VanDerWaalsContact C-N 3.34Å; S342-A358 WeakPolarHBondContact O-CB 3.37Å; S342-S593 WeakPolarHBondContact OG-CB 3.38Å; S342-S594 PolarHBondContact OG-N 2.84Å; S342-D595 VanDerWaalsContact CB-CG 3.42Å; S342-D595 VanDerWaalsContact CB-OD1 3.3Å; S342-D595 WeakPolarHBondContact CB-OD1 3.37Å; S342-D595 WeakPolarHBondContact CB-OD2 3.42Å; S342-D595 WeakPolarHBondContact OG-CB 3.5Å; S342-D595 PolarHBondContact OG-N 2.78Å; S342-D595 VanDerWaalsContact OG-N 3.1Å; S342-D595 PolarHBondContact OG-OD1 2.81Å; S342-D595 PolarHBondContact OG-OD2 2.83Å
343	E	90	Very high	93	Very high	129 Å²	129	32.2 Å²	32.2	60%	0.603	18%	0.18	S	C	*	.	S	Bend	trans	-76.8	-22.5	-175	-65.2	-171.8	154.6	0	0	112.9	S341 H357 A358	S341-E343 PolarHBondContact OG-N 2.68Å; E343-H357 CarbonylContact O-C 3.59Å; E343-H357 WeakPolarHBondContact O-CA 3.39Å; E343-A358 WeakPolarHBondContact O-CB 3.44Å; E343-A358 PolarHBondContact O-N 2.98Å
344	L	93.3	Very high	93	Very high	49 Å²	49	30 Å²	30	26%	0.257	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.3	-178.5	69	96.8	0	0	0	111.9	F337 P338 S342 V355 W356 F379	F337-L344 WeakPolarHBondContact CD1-O 3.34Å; P338-L344 HydrophobicContact CB-CD1 4.37Å; P338-L344 WeakPolarHBondContact CD-O 3.35Å; P338-L344 HydrophobicContact CG-CD1 3.58Å; P338-L344 HydrophobicContact CG-CG 3.81Å; S342-L344 VanDerWaalsContact C-N 3.34Å; L344-V355 HydrophobicContact CB-CG1 4.44Å; L344-V355 HydrophobicContact CD1-CG1 4Å; L344-W356 WeakPolarHBondContact CA-O 3.29Å; L344-W356 WeakPolarHBondContact CB-O 3.46Å; L344-F379 HydrophobicContact CD1-CE1 4.22Å; L344-F379 HydrophobicContact CD1-CZ 3.83Å
345	F	95.3	Very high	93	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.2	170.8	63.5	-91.3	0	0	0	110	I17 V335 A336 F337 T347 V355 W356 A358 V600 V608	I17-F345 HydrophobicContact CD1-CZ 3.74Å; V335-F345 HydrophobicContact CG2-CD2 3.99Å; A336-F345 WeakPolarHBondContact O-CA 3.33Å; F337-F345 HydrophobicContact CD1-CB 3.89Å; F337-F345 HydrophobicContact CD2-CB 4.41Å; F337-F345 HydrophobicContact CE1-CB 3.77Å; F337-F345 HydrophobicContact CE1-CD1 4.26Å; F337-F345 HydrophobicContact CE1-CG 4.44Å; F337-F345 HydrophobicContact CE2-CB 4.3Å; F337-F345 HydrophobicContact CG-CB 4.21Å; F337-F345 HydrophobicContact CZ-CB 3.98Å; F337-F345 HydrophobicContact CZ-CD1 4.24Å; F337-F345 HydrophobicContact CZ-CG 4.38Å; F345-T347 HydrophobicContact CD2-CG2 3.81Å; F345-T347 HydrophobicContact CE2-CG2 3.69Å; F345-V355 WeakPolarHBondContact O-CA 3.44Å; F345-W356 HydrophobicContact CD1-CB 4.22Å; F345-W356 HydrophobicContact CD2-CB 4.25Å; F345-W356 AromaticContact CD2-CD1 3.74Å; F345-W356 HydrophobicContact CD2-CG 4.32Å; F345-W356 HydrophobicContact CE1-CB 3.79Å; F345-W356 HydrophobicContact CE1-CG 4.49Å; F345-W356 HydrophobicContact CE2-CB 3.8Å; F345-W356 AromaticContact CE2-CD1 3.26Å; F345-W356 AromaticContact CE2-CG 3.68Å; F345-W356 HydrophobicContact CE2-CG 3.68Å; F345-W356 HydrophobicContact CG-CB 4.44Å; F345-W356 HydrophobicContact CZ-CB 3.57Å; F345-W356 AromaticContact CZ-CD1 3.87Å; F345-W356 AromaticContact CZ-CG 3.8Å; F345-W356 HydrophobicContact CZ-CG 3.8Å; F345-W356 PolarHBondContact N-O 2.77Å; F345-W356 VanDerWaalsContact N-O 3.07Å; F345-W356 PolarHBondContact O-N 2.8Å; F345-A358 HydrophobicContact CD1-CB 4.08Å; F345-A358 HydrophobicContact CE1-CB 4.32Å; F345-V600 HydrophobicContact CD1-CG2 4.25Å; F345-V600 HydrophobicContact CD2-CG1 4.39Å; F345-V600 HydrophobicContact CE1-CG2 4.25Å; F345-V600 HydrophobicContact CE2-CG1 4.15Å; F345-V600 HydrophobicContact CZ-CG1 4.41Å; F345-V608 HydrophobicContact CE2-CG1 3.96Å; F345-V608 HydrophobicContact CZ-CG1 4.21Å
346	A	96.6	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.2	173.9	0	0	0	0	0	110.8	V335 A336 R354 V355 L377 F379	V335-A346 VanDerWaalsContact CA-O 3.28Å; V335-A346 WeakPolarHBondContact CA-O 3.09Å; V335-A346 WeakPolarHBondContact CG2-O 3.2Å; A336-A346 PolarHBondContact N-O 2.82Å; A336-A346 PolarHBondContact O-N 2.7Å; A346-R354 CarbonylContact C-O 3.59Å; A346-R354 VanDerWaalsContact CA-O 3.28Å; A346-R354 WeakPolarHBondContact CA-O 3.26Å; A346-V355 HydrophobicContact CB-CG2 4.3Å; A346-L377 HydrophobicContact CB-CD1 3.63Å; A346-L377 HydrophobicContact CB-CD2 4.46Å; A346-F379 HydrophobicContact CB-CE2 3.45Å; A346-F379 VanDerWaalsContact CB-CE2 3.45Å; A346-F379 HydrophobicContact CB-CZ 3.55Å
347	T	97.3	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.2	176.3	54.8	0	0	0	0	109.1	H328 V332 D334 V335 F345 I353 R354 W356 T602 V608	H328-T347 PolarHBondContact NE2-OG1 3.41Å; V332-T347 HydrophobicContact CG1-CG2 4.36Å; D334-T347 WeakPolarHBondContact O-CA 3.26Å; V335-T347 HydrophobicContact CB-CG2 4.27Å; V335-T347 HydrophobicContact CG2-CG2 4.07Å; F345-T347 HydrophobicContact CD2-CG2 3.81Å; F345-T347 HydrophobicContact CE2-CG2 3.69Å; T347-I353 CarbonylContact O-C 3.5Å; T347-I353 WeakPolarHBondContact O-CA 3.31Å; T347-R354 PolarHBondContact N-O 2.77Å; T347-R354 PolarHBondContact O-N 2.86Å; T347-R354 PolarHBondContact OG1-O 3.13Å; T347-W356 PolarHBondContact OG1-NE1 2.78Å; T347-T602 HydrophobicContact CG2-CG2 4.22Å; T347-V608 HydrophobicContact CG2-CG1 4.43Å; T347-V608 HydrophobicContact CG2-CG2 4.24Å
348	C	96.2	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.6	175.8	71.8	0	0	0	0	112.3	V332 N333 D334 I353 C374 L377	V332-C348 CarbonylContact C-O 3.52Å; V332-C348 WeakPolarHBondContact CA-O 3.41Å; V332-C348 WeakPolarHBondContact CG1-O 3.4Å; N333-C348 PolarHBondContact N-O 3.41Å; D334-C348 VanDerWaalsContact CB-SG 3.59Å; D334-C348 PolarHBondContact N-SG 2.65Å; D334-C348 PolarHBondContact O-N 3.43Å; D334-C348 VanDerWaalsContact O-N 3.08Å; C348-I353 HydrophobicContact CB-CG1 4.09Å; C348-C374 HydrophobicContact CB-CB 3.7Å; C348-C374 WeakPolarHBondContact CB-SG 3.49Å; C348-C374 PolarHBondContact SG-O 3.41Å; C348-L377 HydrophobicContact CB-CB 4.41Å; C348-L377 HydrophobicContact CB-CD2 3.46Å; C348-L377 VanDerWaalsContact CB-CD2 3.46Å; C348-L377 VanDerWaalsContact N-CD2 3.25Å
349	S	95.1	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.			trans	-135.1	-162.5	-179.5	82.8	0	0	0	0	111.3	H328 A331 D351 D352 C374	H328-S349 VanDerWaalsContact ND1-CB 3.25Å; H328-S349 WeakPolarHBondContact ND1-CB 3.25Å; H328-S349 PolarHBondContact ND1-OG 2.91Å; A331-S349 WeakPolarHBondContact O-CA 3.43Å; S349-D351 PolarHBondContact O-N 2.85Å; S349-D351 PolarHBondContact OG-N 3.48Å; S349-D352 PolarHBondContact N-O 2.79Å; S349-D352 PolarHBondContact OG-OD1 2.93Å; S349-C374 PolarHBondContact O-N 3.21Å
350	Q	90.9	Very high	92.3	Very high	89 Å²	89	34 Å²	34	42%	0.416	19%	0.191	S	C	.	.	S	Bend	trans	-65	-30.1	178.2	171.1	157	8.6	0	0	114.8	M372 T373	Q350-M372 CarbonylContact C-O 3.57Å; Q350-M372 CarbonylContact O-C 3.55Å; Q350-T373 HydrophobicContact CB-CG2 3.99Å; Q350-T373 HydrophobicContact CG-CG2 3.65Å; Q350-T373 VanDerWaalsContact O-CA 3.23Å; Q350-T373 WeakPolarHBondContact O-CA 3.01Å; Q350-T373 PolarHBondContact O-N 3.1Å
351	D	87.6	Confident	92.5	Very high	44 Å²	44	32.3 Å²	32.3	24%	0.235	17%	0.168	C	C	.	.	S	Bend	trans	-132.4	-7.6	-173.8	-71.3	-52.8	0	0	0	113.5	S349 S368 V369 N371	S349-D351 PolarHBondContact O-N 2.85Å; S349-D351 PolarHBondContact OG-N 3.48Å; D351-S368 VanDerWaalsContact O-CA 3.28Å; D351-S368 WeakPolarHBondContact O-CA 3.38Å; D351-S368 PolarHBondContact O-OG 3.24Å; D351-V369 PolarHBondContact O-N 3.28Å; D351-N371 WeakPolarHBondContact OD1-CA 3.43Å; D351-N371 PolarHBondContact OD1-N 3Å
352	D	93.8	Very high	92.6	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.5	-174.4	61.5	24.5	0	0	0	114.3	H328 S349 R354 R366 I367	H328-D352 IonicContact CE1-OD1 2.69Å; H328-D352 PolarHBondContact CE1-OD1 3.48Å; H328-D352 IonicContact ND1-OD1 3.46Å; H328-D352 PolarHBondContact ND1-OD1 2.67Å; S349-D352 PolarHBondContact N-O 2.79Å; S349-D352 PolarHBondContact OG-OD1 2.93Å; D352-R354 IonicContact OD1-NE 3.85Å; D352-R354 IonicContact OD2-CZ 3.66Å; D352-R354 VanDerWaalsContact OD2-CZ 3.26Å; D352-R354 IonicContact OD2-NE 2.69Å; D352-R354 PolarHBondContact OD2-NE 3.08Å; D352-R354 IonicContact OD2-NH2 3.82Å; D352-R354 PolarHBondContact OD2-NH2 3.3Å; D352-R366 HydrophobicContact CB-CG 4.14Å; D352-I367 CarbonylContact C-O 3.5Å; D352-I367 WeakPolarHBondContact CA-O 3.23Å
353	I	96.2	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.6	160.5	-59.9	170.2	0	0	0	106.2	T347 C348 I367 C374 S388 W390 F398	T347-I353 CarbonylContact O-C 3.5Å; T347-I353 WeakPolarHBondContact O-CA 3.31Å; C348-I353 HydrophobicContact CB-CG1 4.09Å; I353-I367 HydrophobicContact CB-CB 4.32Å; I353-I367 PolarHBondContact N-O 3.48Å; I353-I367 PolarHBondContact O-N 2.84Å; I353-C374 HydrophobicContact CG1-CB 4.45Å; I353-S388 VanDerWaalsContact CD1-CB 3.46Å; I353-W390 HydrophobicContact CD1-CH2 4.27Å; I353-W390 HydrophobicContact CD1-CZ2 3.64Å; I353-W390 HydrophobicContact CG1-CH2 4.22Å; I353-W390 HydrophobicContact CG1-CZ2 4.08Å; I353-F398 HydrophobicContact CD1-CD2 4.27Å; I353-F398 HydrophobicContact CD1-CE2 3.97Å
354	R	95.8	Very high	93.1	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.3	179.3	-64.7	-177.5	-174.1	-160.6	18	110.7	T326 S327 A346 T347 D352 W356 E363 L365 R366	T326-R354 PolarHBondContact OG1-NH1 3.45Å; S327-R354 VanDerWaalsContact O-CZ 3.24Å; S327-R354 PolarHBondContact O-NH1 3.13Å; S327-R354 PolarHBondContact O-NH2 3.13Å; A346-R354 CarbonylContact C-O 3.59Å; A346-R354 VanDerWaalsContact CA-O 3.28Å; A346-R354 WeakPolarHBondContact CA-O 3.26Å; T347-R354 PolarHBondContact N-O 2.77Å; T347-R354 PolarHBondContact O-N 2.86Å; T347-R354 PolarHBondContact OG1-O 3.13Å; D352-R354 IonicContact OD1-NE 3.85Å; D352-R354 IonicContact OD2-CZ 3.66Å; D352-R354 VanDerWaalsContact OD2-CZ 3.26Å; D352-R354 IonicContact OD2-NE 2.69Å; D352-R354 PolarHBondContact OD2-NE 3.08Å; D352-R354 IonicContact OD2-NH2 3.82Å; D352-R354 PolarHBondContact OD2-NH2 3.3Å; R354-W356 HydrophobicContact CB-CZ2 3.77Å; R354-W356 HydrophobicContact CG-CZ2 4.26Å; R354-E363 WeakPolarHBondContact CD-OE2 3.39Å; R354-E363 IonicContact CZ-OE2 3.95Å; R354-E363 IonicContact NE-OE2 3.53Å; R354-E363 IonicContact NH1-OE2 2.75Å; R354-E363 PolarHBondContact NH1-OE2 3.5Å; R354-L365 WeakPolarHBondContact CA-O 3.38Å; R354-R366 HydrophobicContact CG-CG 4.31Å
355	V	95.8	Very high	93.1	Very high	8 Å²	8	37 Å²	37	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	172.5	-173.6	0	0	0	0	108.2	L344 F345 A346 L364 L365 I386	L344-V355 HydrophobicContact CB-CG1 4.44Å; L344-V355 HydrophobicContact CD1-CG1 4Å; F345-V355 WeakPolarHBondContact O-CA 3.44Å; A346-V355 HydrophobicContact CB-CG2 4.3Å; V355-L364 PolarHBondContact O-N 2.91Å; V355-L365 HydrophobicContact CB-CB 4.08Å; V355-L365 HydrophobicContact CG2-CB 4.17Å; V355-L365 HydrophobicContact CG2-CD2 4.23Å; V355-L365 PolarHBondContact N-O 2.85Å; V355-L365 PolarHBondContact O-N 3.27Å; V355-I386 HydrophobicContact CG2-CD1 3.91Å
356	W	95.3	Very high	93	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.7	-175.1	-54.5	93.4	0	0	0	110.1	I17 T326 L344 F345 T347 R354 K362 E363	I17-W356 HydrophobicContact CD1-CB 4.45Å; I17-W356 HydrophobicContact CD1-CD2 4.03Å; I17-W356 HydrophobicContact CD1-CE3 3.94Å; I17-W356 HydrophobicContact CD1-CG 4.26Å; I17-W356 HydrophobicContact CG2-CD2 4.4Å; I17-W356 HydrophobicContact CG2-CE3 3.92Å; I17-W356 HydrophobicContact CG2-CH2 3.6Å; I17-W356 HydrophobicContact CG2-CZ2 4.07Å; I17-W356 HydrophobicContact CG2-CZ3 3.5Å; I17-W356 VanDerWaalsContact CG2-CZ3 3.5Å; T326-W356 WeakPolarHBondContact O-CH2 3.24Å; L344-W356 WeakPolarHBondContact CA-O 3.29Å; L344-W356 WeakPolarHBondContact CB-O 3.46Å; F345-W356 HydrophobicContact CD1-CB 4.22Å; F345-W356 HydrophobicContact CD2-CB 4.25Å; F345-W356 AromaticContact CD2-CD1 3.74Å; F345-W356 HydrophobicContact CD2-CG 4.32Å; F345-W356 HydrophobicContact CE1-CB 3.79Å; F345-W356 HydrophobicContact CE1-CG 4.49Å; F345-W356 HydrophobicContact CE2-CB 3.8Å; F345-W356 AromaticContact CE2-CD1 3.26Å; F345-W356 AromaticContact CE2-CG 3.68Å; F345-W356 HydrophobicContact CE2-CG 3.68Å; F345-W356 HydrophobicContact CG-CB 4.44Å; F345-W356 HydrophobicContact CZ-CB 3.57Å; F345-W356 AromaticContact CZ-CD1 3.87Å; F345-W356 AromaticContact CZ-CG 3.8Å; F345-W356 HydrophobicContact CZ-CG 3.8Å; F345-W356 PolarHBondContact N-O 2.77Å; F345-W356 VanDerWaalsContact N-O 3.07Å; F345-W356 PolarHBondContact O-N 2.8Å; T347-W356 PolarHBondContact OG1-NE1 2.78Å; R354-W356 HydrophobicContact CB-CZ2 3.77Å; R354-W356 HydrophobicContact CG-CZ2 4.26Å; W356-K362 WeakPolarHBondContact CA-O 3.28Å; W356-E363 HydrophobicContact CE3-CB 3.93Å; W356-E363 HydrophobicContact CH2-CB 4.27Å; W356-E363 HydrophobicContact CH2-CG 4.47Å; W356-E363 HydrophobicContact CZ3-CB 3.64Å; W356-E363 HydrophobicContact CZ3-CG 4.26Å
357	H	93.6	Very high	93	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.236	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.6	161.8	-170.9	-59.9	0	0	0	109	E343 E359 T360 S361 K362 L364	E343-H357 CarbonylContact O-C 3.59Å; E343-H357 WeakPolarHBondContact O-CA 3.39Å; H357-E359 PolarHBondContact ND1-N 3.33Å; H357-T360 WeakPolarHBondContact CB-OG1 3.49Å; H357-T360 PolarHBondContact ND1-N 2.65Å; H357-T360 PolarHBondContact ND1-OG1 3.22Å; H357-S361 VanDerWaalsContact O-CA 3.23Å; H357-S361 WeakPolarHBondContact O-CA 3.47Å; H357-S361 PolarHBondContact O-N 3.49Å; H357-K362 PolarHBondContact N-O 3.1Å; H357-L364 HydrophobicContact CB-CD1 4.04Å; H357-L364 HydrophobicContact CB-CD2 4.24Å; H357-L364 HydrophobicContact CB-CG 4.15Å
358	A	90.3	Very high	92.8	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-51.4	-172.1	0	0	0	0	0	112.8	S342 E343 F345 R610	S342-A358 WeakPolarHBondContact O-CB 3.37Å; E343-A358 WeakPolarHBondContact O-CB 3.44Å; E343-A358 PolarHBondContact O-N 2.98Å; F345-A358 HydrophobicContact CD1-CB 4.08Å; F345-A358 HydrophobicContact CE1-CB 4.32Å; A358-R610 PolarHBondContact O-NE 2.85Å; A358-R610 PolarHBondContact O-NH1 3.21Å; A358-R610 VanDerWaalsContact O-NH1 3.14Å
359	E	87.3	Confident	92.6	Very high	136 Å²	136	45.3 Å²	45.3	64%	0.636	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-48.6	-176.9	-59	-172.3	158.5	0	0	114	H357 R610	H357-E359 PolarHBondContact ND1-N 3.33Å; E359-R610 PolarHBondContact O-NH2 3.41Å
360	T	87.5	Confident	92.3	Very high	73 Å²	73	49.5 Å²	49.5	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.9	-174.8	64.5	0	0	0	0	113.3	H357 K362	H357-T360 WeakPolarHBondContact CB-OG1 3.49Å; H357-T360 PolarHBondContact ND1-N 2.65Å; H357-T360 PolarHBondContact ND1-OG1 3.22Å; T360-K362 PolarHBondContact O-N 2.97Å; T360-K362 VanDerWaalsContact O-N 3.15Å
361	S	89.6	Confident	92.2	Very high	27 Å²	27	51.5 Å²	51.5	19%	0.189	27%	0.271	C	S	.	.			trans	55.2	27.6	-175.7	-64	0	0	0	0	113.4	H357	H357-S361 VanDerWaalsContact O-CA 3.23Å; H357-S361 WeakPolarHBondContact O-CA 3.47Å; H357-S361 PolarHBondContact O-N 3.49Å
362	K	90.1	Very high	92.5	Very high	140 Å²	140	52.2 Å²	52.2	61%	0.609	27%	0.273	S	S	*	.			trans	-89	137.7	177.7	-71	-177.1	178.6	179.2	0	110.3	W356 H357 T360 L364	W356-K362 WeakPolarHBondContact CA-O 3.28Å; H357-K362 PolarHBondContact N-O 3.1Å; T360-K362 PolarHBondContact O-N 2.97Å; T360-K362 VanDerWaalsContact O-N 3.15Å; K362-L364 PolarHBondContact O-N 2.8Å
363	E	93.6	Very high	92.6	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.3	169.7	-169.3	177.5	119.8	0	0	109	T326 R354 W356 R366	T326-E363 HydrophobicContact CG2-CB 3.92Å; T326-E363 HydrophobicContact CG2-CG 4.42Å; T326-E363 WeakPolarHBondContact CG2-OE2 3.46Å; R354-E363 WeakPolarHBondContact CD-OE2 3.39Å; R354-E363 IonicContact CZ-OE2 3.95Å; R354-E363 IonicContact NE-OE2 3.53Å; R354-E363 IonicContact NH1-OE2 2.75Å; R354-E363 PolarHBondContact NH1-OE2 3.5Å; W356-E363 HydrophobicContact CE3-CB 3.93Å; W356-E363 HydrophobicContact CH2-CB 4.27Å; W356-E363 HydrophobicContact CH2-CG 4.47Å; W356-E363 HydrophobicContact CZ3-CB 3.64Å; W356-E363 HydrophobicContact CZ3-CG 4.26Å; E363-R366 VanDerWaalsContact CD-NH2 3.34Å; E363-R366 WeakPolarHBondContact OE1-CB 3.2Å; E363-R366 IonicContact OE1-CZ 3.76Å; E363-R366 IonicContact OE1-NE 2.94Å; E363-R366 PolarHBondContact OE1-NE 3.01Å; E363-R366 IonicContact OE1-NH2 3.43Å; E363-R366 PolarHBondContact OE1-NH2 2.85Å; E363-R366 IonicContact OE2-CZ 2.72Å; E363-R366 IonicContact OE2-NE 2.95Å; E363-R366 IonicContact OE2-NH2 3.86Å; E363-R366 PolarHBondContact OE2-NH2 3.22Å
364	L	93.3	Very high	92.6	Very high	105 Å²	105	53.1 Å²	53.1	55%	0.55	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-41.2	177.5	-62.1	178.5	0	0	0	111.4	V355 H357 K362	V355-L364 PolarHBondContact O-N 2.91Å; H357-L364 HydrophobicContact CB-CD1 4.04Å; H357-L364 HydrophobicContact CB-CD2 4.24Å; H357-L364 HydrophobicContact CB-CG 4.15Å; K362-L364 PolarHBondContact O-N 2.8Å
365	L	93.9	Very high	92.6	Very high	30 Å²	30	55 Å²	55	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.3	-176.8	-178.4	72.4	0	0	0	110.4	R354 V355 I367 P400	R354-L365 WeakPolarHBondContact CA-O 3.38Å; V355-L365 HydrophobicContact CB-CB 4.08Å; V355-L365 HydrophobicContact CG2-CB 4.17Å; V355-L365 HydrophobicContact CG2-CD2 4.23Å; V355-L365 PolarHBondContact N-O 2.85Å; V355-L365 PolarHBondContact O-N 3.27Å; L365-I367 HydrophobicContact CD2-CD1 3.91Å; L365-I367 HydrophobicContact CD2-CG1 3.86Å; L365-I367 HydrophobicContact CG-CG1 4.09Å; L365-P400 VanDerWaalsContact CD2-O 3.25Å; L365-P400 WeakPolarHBondContact CD2-O 3.34Å
366	R	94.4	Very high	92.6	Very high	70 Å²	70	55 Å²	55	26%	0.264	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	167.9	-170.7	-179.9	-58.4	-171.2	-3.6	110.2	E287 T326 D352 R354 E363	E287-R366 IonicContact OE2-NH1 2.72Å; T326-R366 PolarHBondContact OG1-NH2 3.39Å; D352-R366 HydrophobicContact CB-CG 4.14Å; R354-R366 HydrophobicContact CG-CG 4.31Å; E363-R366 VanDerWaalsContact CD-NH2 3.34Å; E363-R366 WeakPolarHBondContact OE1-CB 3.2Å; E363-R366 IonicContact OE1-CZ 3.76Å; E363-R366 IonicContact OE1-NE 2.94Å; E363-R366 PolarHBondContact OE1-NE 3.01Å; E363-R366 IonicContact OE1-NH2 3.43Å; E363-R366 PolarHBondContact OE1-NH2 2.85Å; E363-R366 IonicContact OE2-CZ 2.72Å; E363-R366 IonicContact OE2-NE 2.95Å; E363-R366 IonicContact OE2-NH2 3.86Å; E363-R366 PolarHBondContact OE2-NH2 3.22Å
367	I	95	Very high	92.7	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.3	172.7	-52.7	174.4	0	0	0	106.5	D352 I353 L365 F398	D352-I367 CarbonylContact C-O 3.5Å; D352-I367 WeakPolarHBondContact CA-O 3.23Å; I353-I367 HydrophobicContact CB-CB 4.32Å; I353-I367 PolarHBondContact N-O 3.48Å; I353-I367 PolarHBondContact O-N 2.84Å; L365-I367 HydrophobicContact CD2-CD1 3.91Å; L365-I367 HydrophobicContact CD2-CG1 3.86Å; L365-I367 HydrophobicContact CG-CG1 4.09Å; I367-F398 HydrophobicContact CD1-CB 3.74Å; I367-F398 HydrophobicContact CD1-CD1 4.16Å; I367-F398 HydrophobicContact CD1-CD2 4.18Å; I367-F398 HydrophobicContact CD1-CG 3.8Å; I367-F398 HydrophobicContact CG2-CD1 3.81Å; I367-F398 HydrophobicContact CG2-CD2 4.43Å; I367-F398 HydrophobicContact CG2-CE1 3.51Å; I367-F398 HydrophobicContact CG2-CE2 4.15Å; I367-F398 HydrophobicContact CG2-CG 4.26Å; I367-F398 HydrophobicContact CG2-CZ 3.68Å
368	S	92.8	Very high	92.8	Very high	70 Å²	70	54.5 Å²	54.5	49%	0.49	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.5	179.5	-177.9	0	0	0	0	111.6	D351	D351-S368 VanDerWaalsContact O-CA 3.28Å; D351-S368 WeakPolarHBondContact O-CA 3.38Å; D351-S368 PolarHBondContact O-OG 3.24Å
369	V	91.9	Very high	93.1	Very high	25 Å²	25	55 Å²	55	15%	0.152	29%	0.292	C	S	.	.			trans	-123.1	98.8	170.8	-176	0	0	0	0	106.5	D351 N371 M372 W390 F398	D351-V369 PolarHBondContact O-N 3.28Å; V369-N371 PolarHBondContact O-N 2.96Å; V369-M372 HydrophobicContact CB-CB 4.5Å; V369-M372 HydrophobicContact CG1-CB 3.96Å; V369-M372 HydrophobicContact CG1-CG 3.95Å; V369-M372 PolarHBondContact O-N 2.88Å; V369-W390 HydrophobicContact CB-CE3 4.35Å; V369-W390 HydrophobicContact CB-CH2 3.7Å; V369-W390 HydrophobicContact CB-CZ2 4.34Å; V369-W390 HydrophobicContact CB-CZ3 3.71Å; V369-W390 HydrophobicContact CG1-CZ3 4.49Å; V369-W390 HydrophobicContact CG2-CH2 3.56Å; V369-W390 HydrophobicContact CG2-CZ2 3.78Å; V369-W390 HydrophobicContact CG2-CZ3 4.08Å; V369-F398 HydrophobicContact CG2-CZ 4.39Å
370	P	88.9	Confident	93.4	Very high	88 Å²	88	48.9 Å²	48.9	57%	0.571	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	136.3	-169.2	-26.7	33.9	0	0	0	113.7	M372	P370-M372 VanDerWaalsContact C-N 3.28Å; P370-M372 PolarHBondContact O-N 3.49Å
371	N	89.1	Confident	93.6	Very high	132 Å²	132	48 Å²	48	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	20.6	174.8	-47.4	-69.1	0	0	0	114.9	D351 V369	D351-N371 WeakPolarHBondContact OD1-CA 3.43Å; D351-N371 PolarHBondContact OD1-N 3Å; V369-N371 PolarHBondContact O-N 2.96Å
372	M	94.1	Very high	93.5	Very high	58 Å²	58	50.2 Å²	50.2	29%	0.286	27%	0.265	S	S	.	.			trans	-129.8	118.8	-176	-61.6	-61.9	139.1	0	0	110.3	Q350 V369 P370 W390 D392	Q350-M372 CarbonylContact C-O 3.57Å; Q350-M372 CarbonylContact O-C 3.55Å; V369-M372 HydrophobicContact CB-CB 4.5Å; V369-M372 HydrophobicContact CG1-CB 3.96Å; V369-M372 HydrophobicContact CG1-CG 3.95Å; V369-M372 PolarHBondContact O-N 2.88Å; P370-M372 VanDerWaalsContact C-N 3.28Å; P370-M372 PolarHBondContact O-N 3.49Å; M372-W390 HydrophobicContact CB-CE3 3.86Å; M372-W390 HydrophobicContact CB-CZ3 4.3Å; M372-W390 WeakPolarHBondContact O-CZ3 3.45Å; M372-D392 HydrophobicContact SD-CB 3.63Å
373	T	95.4	Very high	93.5	Very high	31 Å²	31	45.2 Å²	45.2	19%	0.19	25%	0.253	C	S	.	.			trans	-79.4	130.1	-178.8	67.1	0	0	0	0	111.1	Q350 N375 W390 N391	Q350-T373 HydrophobicContact CB-CG2 3.99Å; Q350-T373 HydrophobicContact CG-CG2 3.65Å; Q350-T373 VanDerWaalsContact O-CA 3.23Å; Q350-T373 WeakPolarHBondContact O-CA 3.01Å; Q350-T373 PolarHBondContact O-N 3.1Å; T373-N375 PolarHBondContact OG1-OD1 2.92Å; T373-W390 CarbonylContact O-C 3.52Å; T373-W390 WeakPolarHBondContact O-CA 3.25Å; T373-N391 VanDerWaalsContact N-CG 3.3Å; T373-N391 PolarHBondContact N-ND2 3.26Å; T373-N391 PolarHBondContact N-OD1 2.71Å; T373-N391 VanDerWaalsContact N-OD1 3.1Å; T373-N391 PolarHBondContact O-N 2.87Å; T373-N391 WeakPolarHBondContact OG1-CB 3.08Å; T373-N391 PolarHBondContact OG1-ND2 2.9Å
374	C	96.9	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121	169.8	-172.6	0	0	0	0	108.7	N333 C348 S349 I353 A389 W390	N333-C374 PolarHBondContact ND2-O 3.4Å; C348-C374 HydrophobicContact CB-CB 3.7Å; C348-C374 WeakPolarHBondContact CB-SG 3.49Å; C348-C374 PolarHBondContact SG-O 3.41Å; S349-C374 PolarHBondContact O-N 3.21Å; I353-C374 HydrophobicContact CG1-CB 4.45Å; C374-A389 CarbonylContact C-O 3.59Å; C374-A389 WeakPolarHBondContact CA-O 3.41Å; C374-W390 HydrophobicContact CB-CD2 4.01Å; C374-W390 HydrophobicContact CB-CE3 3.74Å; C374-W390 HydrophobicContact CB-CH2 3.88Å; C374-W390 HydrophobicContact CB-CZ2 4.13Å; C374-W390 HydrophobicContact CB-CZ3 3.67Å
375	N	96.2	Very high	93.2	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-35.5	-172.7	-63.2	-36.7	0	0	0	112.7	T373 A389 V417	T373-N375 PolarHBondContact OG1-OD1 2.92Å; N375-A389 PolarHBondContact N-O 3.08Å; N375-V417 PolarHBondContact ND2-O 3.3Å
376	A	96.3	Very high	93.3	Very high	8 Å²	8	43.2 Å²	43.2	7%	0.066	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151	-178.9	0	0	0	0	0	110.2	D334 A389 I420	D334-A376 WeakPolarHBondContact OD2-CA 3.46Å; A376-A389 HydrophobicContact CB-CB 4.17Å; A376-A389 PolarHBondContact O-N 2.87Å; A376-I420 HydrophobicContact CB-CG2 4.1Å
377	L	96.8	Very high	93.4	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.6	177.8	80	98.9	0	0	0	110.2	D334 A336 A346 C348 I387	D334-L377 HydrophobicContact CB-CD2 4.5Å; D334-L377 PolarHBondContact OD2-N 3.09Å; D334-L377 VanDerWaalsContact OD2-N 3.14Å; A336-L377 HydrophobicContact CB-CD1 3.47Å; A336-L377 VanDerWaalsContact CB-CD1 3.47Å; A336-L377 HydrophobicContact CB-CG 4.28Å; A346-L377 HydrophobicContact CB-CD1 3.63Å; A346-L377 HydrophobicContact CB-CD2 4.46Å; C348-L377 HydrophobicContact CB-CB 4.41Å; C348-L377 HydrophobicContact CB-CD2 3.46Å; C348-L377 VanDerWaalsContact CB-CD2 3.46Å; C348-L377 VanDerWaalsContact N-CD2 3.25Å; L377-I387 WeakPolarHBondContact CA-O 3.17Å
378	D	96.1	Very high	93.5	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.2	172.5	-161.8	11.4	0	0	0	110.4	I387	D378-I387 HydrophobicContact CB-CD1 3.94Å; D378-I387 HydrophobicContact CB-CG1 3.71Å; D378-I387 PolarHBondContact N-O 2.96Å; D378-I387 WeakPolarHBondContact O-CG1 3.37Å; D378-I387 PolarHBondContact O-N 2.97Å
379	F	95	Very high	93.7	Very high	13 Å²	13	36 Å²	36	6%	0.057	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134	169.3	-76.6	-89.8	0	0	0	109.3	A336 P338 L344 A346 I386 P400	A336-F379 HydrophobicContact CB-CD2 4.01Å; A336-F379 HydrophobicContact CB-CE2 4.42Å; A336-F379 WeakPolarHBondContact O-CE2 3.11Å; P338-F379 HydrophobicContact CB-CB 4.42Å; P338-F379 HydrophobicContact CB-CD1 4.19Å; P338-F379 HydrophobicContact CB-CD2 4.36Å; P338-F379 HydrophobicContact CB-CG 4.1Å; L344-F379 HydrophobicContact CD1-CE1 4.22Å; L344-F379 HydrophobicContact CD1-CZ 3.83Å; A346-F379 HydrophobicContact CB-CE2 3.45Å; A346-F379 VanDerWaalsContact CB-CE2 3.45Å; A346-F379 HydrophobicContact CB-CZ 3.55Å; F379-I386 HydrophobicContact CD1-CG1 3.75Å; F379-I386 HydrophobicContact CE1-CD1 3.81Å; F379-I386 HydrophobicContact CE1-CG1 3.43Å; F379-I386 VanDerWaalsContact CE1-CG1 3.43Å; F379-I386 HydrophobicContact CZ-CD1 4.14Å; F379-I386 HydrophobicContact CZ-CG1 4.07Å; F379-P400 HydrophobicContact CE1-CB 4.48Å
380	M	93.6	Very high	94	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.034	20%	0.196	C	C	.	.			trans	-64.3	147.8	165.3	-60.3	-57.2	-62	0	0	109.2	D382 G383 S385 I387 C426	M380-D382 WeakPolarHBondContact CB-OD1 3.43Å; M380-D382 PolarHBondContact O-N 2.95Å; M380-D382 VanDerWaalsContact O-N 3.15Å; M380-G383 PolarHBondContact O-N 2.94Å; M380-S385 PolarHBondContact N-O 3.13Å; M380-I387 HydrophobicContact CG-CG2 3.91Å; M380-I387 HydrophobicContact SD-CD1 3.94Å; M380-I387 HydrophobicContact SD-CG2 3.64Å; M380-C426 VanDerWaalsContact CE-CA 3.41Å; M380-C426 HydrophobicContact CE-CB 3.95Å
381	I	91.9	Very high	94.3	Very high	54 Å²	54	33.6 Å²	33.6	28%	0.277	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.3	-172.8	-157.3	97.7	0	0	0	113.1	F339 G383 R424 C426	F339-I381 HydrophobicContact CB-CD1 3.48Å; F339-I381 VanDerWaalsContact CB-CD1 3.48Å; F339-I381 HydrophobicContact CB-CG1 3.88Å; F339-I381 HydrophobicContact CD1-CD1 3.53Å; F339-I381 HydrophobicContact CD1-CG1 3.62Å; F339-I381 HydrophobicContact CD2-CD1 3.47Å; F339-I381 VanDerWaalsContact CD2-CD1 3.47Å; F339-I381 HydrophobicContact CD2-CG1 4.45Å; F339-I381 HydrophobicContact CE1-CD1 4.07Å; F339-I381 HydrophobicContact CE1-CG1 4.25Å; F339-I381 HydrophobicContact CE2-CD1 4.02Å; F339-I381 HydrophobicContact CG-CD1 3.18Å; F339-I381 HydrophobicContact CG-CG1 3.73Å; F339-I381 HydrophobicContact CZ-CD1 4.29Å; I381-G383 PolarHBondContact O-N 2.84Å; I381-R424 HydrophobicContact CD1-CG 4.46Å; I381-R424 HydrophobicContact CG2-CB 4.49Å; I381-R424 WeakPolarHBondContact CG2-O 3.42Å; I381-C426 VanDerWaalsContact CG2-SG 3.53Å
382	D	89.3	Confident	94.6	Very high	75 Å²	75	29.6 Å²	29.6	40%	0.401	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.6	175.2	63.7	8.8	0	0	0	113.3	M380 H384 C426	M380-D382 WeakPolarHBondContact CB-OD1 3.43Å; M380-D382 PolarHBondContact O-N 2.95Å; M380-D382 VanDerWaalsContact O-N 3.15Å; D382-H384 PolarHBondContact O-N 2.88Å; D382-H384 VanDerWaalsContact O-N 3.17Å; D382-H384 PolarHBondContact OD1-N 2.87Å; D382-C426 PolarHBondContact N-SG 3.36Å; D382-C426 VanDerWaalsContact N-SG 3.44Å; D382-C426 PolarHBondContact OD2-SG 3.03Å
383	G	88.2	Confident	94.7	Very high	35 Å²	35	27 Å²	27	36%	0.361	15%	0.151	S	C	.	.	S	Bend	trans	67.2	7	-176.4	0	0	0	0	0	114	M380 I381 P400	M380-G383 PolarHBondContact O-N 2.94Å; I381-G383 PolarHBondContact O-N 2.84Å; G383-P400 VanDerWaalsContact O-CG 3.25Å; G383-P400 WeakPolarHBondContact O-CG 3.29Å
384	H	88.4	Confident	94.7	Very high	127 Å²	127	28 Å²	28	59%	0.588	15%	0.153	S	C	*	.	S	Bend	trans	-90.8	-11.2	-177.7	-73.2	-51.3	0	0	0	113.4	D382 P400	D382-H384 PolarHBondContact O-N 2.88Å; D382-H384 VanDerWaalsContact O-N 3.17Å; D382-H384 PolarHBondContact OD1-N 2.87Å; H384-P400 WeakPolarHBondContact O-CD 3.39Å
385	S	93.1	Very high	94.7	Very high	17 Å²	17	28 Å²	28	12%	0.119	15%	0.153	C	C	.	.			trans	-141.7	131.4	-173.7	-74.8	0	0	0	0	112.2	M380 F398	M380-S385 PolarHBondContact N-O 3.13Å; S385-F398 WeakPolarHBondContact CA-O 3.49Å
386	I	96.1	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.1	165.2	-59.4	170.7	0	0	0	107.2	V355 F379 V397 F398 P400	V355-I386 HydrophobicContact CG2-CD1 3.91Å; F379-I386 HydrophobicContact CD1-CG1 3.75Å; F379-I386 HydrophobicContact CE1-CD1 3.81Å; F379-I386 HydrophobicContact CE1-CG1 3.43Å; F379-I386 VanDerWaalsContact CE1-CG1 3.43Å; F379-I386 HydrophobicContact CZ-CD1 4.14Å; F379-I386 HydrophobicContact CZ-CG1 4.07Å; I386-V397 CarbonylContact O-C 3.52Å; I386-V397 WeakPolarHBondContact O-CA 3.42Å; I386-F398 HydrophobicContact CB-CB 4.46Å; I386-F398 PolarHBondContact N-O 2.77Å; I386-F398 PolarHBondContact O-N 3.3Å; I386-P400 HydrophobicContact CD1-CB 3.92Å; I386-P400 HydrophobicContact CD1-CG 4.41Å; I386-P400 HydrophobicContact CG1-CB 4.09Å; I386-P400 HydrophobicContact CG1-CG 4.04Å
387	I	96.8	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.1	174.4	66.1	178.7	0	0	0	109.3	L377 D378 M380 V397 I420 I429	L377-I387 WeakPolarHBondContact CA-O 3.17Å; D378-I387 HydrophobicContact CB-CD1 3.94Å; D378-I387 HydrophobicContact CB-CG1 3.71Å; D378-I387 PolarHBondContact N-O 2.96Å; D378-I387 WeakPolarHBondContact O-CG1 3.37Å; D378-I387 PolarHBondContact O-N 2.97Å; M380-I387 HydrophobicContact CG-CG2 3.91Å; M380-I387 HydrophobicContact SD-CD1 3.94Å; M380-I387 HydrophobicContact SD-CG2 3.64Å; I387-V397 HydrophobicContact CG2-CG1 4.17Å; I387-V397 HydrophobicContact CG2-CG2 4.14Å; I387-I420 HydrophobicContact CB-CD1 3.84Å; I387-I420 HydrophobicContact CD1-CD1 3.9Å; I387-I420 HydrophobicContact CD1-CG1 3.73Å; I387-I420 HydrophobicContact CG1-CD1 3.89Å; I387-I420 HydrophobicContact CG1-CG1 4.16Å; I387-I420 HydrophobicContact CG1-CG2 4.38Å; I387-I429 HydrophobicContact CB-CD1 4.28Å; I387-I429 HydrophobicContact CD1-CG1 4.4Å; I387-I429 HydrophobicContact CD1-CG2 4.35Å; I387-I429 HydrophobicContact CG2-CD1 3.62Å; I387-I429 HydrophobicContact CG2-CG1 4.37Å
388	S	97.4	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.4	-173.4	58.5	0	0	0	0	112.5	I353 W390 I395 R396 F398	I353-S388 VanDerWaalsContact CD1-CB 3.46Å; S388-W390 PolarHBondContact OG-NE1 3.34Å; S388-I395 WeakPolarHBondContact O-CA 3.26Å; S388-R396 PolarHBondContact N-O 2.48Å; S388-R396 PolarHBondContact O-N 3.35Å; S388-R396 PolarHBondContact OG-O 2.85Å; S388-F398 VanDerWaalsContact OG-CE2 3.27Å; S388-F398 WeakPolarHBondContact OG-CE2 3.44Å
389	A	97	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	-177.8	0	0	0	0	0	110.5	C374 N375 A376 V417 I420	C374-A389 CarbonylContact C-O 3.59Å; C374-A389 WeakPolarHBondContact CA-O 3.41Å; N375-A389 PolarHBondContact N-O 3.08Å; A376-A389 HydrophobicContact CB-CB 4.17Å; A376-A389 PolarHBondContact O-N 2.87Å; A389-V417 HydrophobicContact CB-CB 3.7Å; A389-V417 HydrophobicContact CB-CG1 3.54Å; A389-I420 HydrophobicContact CB-CB 4.14Å; A389-I420 HydrophobicContact CB-CG2 4.11Å
390	W	97.3	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155	-172.8	-59.3	78.8	0	0	0	112.7	I353 V369 M372 T373 C374 S388 D392 G393 K394 F398 V417	I353-W390 HydrophobicContact CD1-CH2 4.27Å; I353-W390 HydrophobicContact CD1-CZ2 3.64Å; I353-W390 HydrophobicContact CG1-CH2 4.22Å; I353-W390 HydrophobicContact CG1-CZ2 4.08Å; V369-W390 HydrophobicContact CB-CE3 4.35Å; V369-W390 HydrophobicContact CB-CH2 3.7Å; V369-W390 HydrophobicContact CB-CZ2 4.34Å; V369-W390 HydrophobicContact CB-CZ3 3.71Å; V369-W390 HydrophobicContact CG1-CZ3 4.49Å; V369-W390 HydrophobicContact CG2-CH2 3.56Å; V369-W390 HydrophobicContact CG2-CZ2 3.78Å; V369-W390 HydrophobicContact CG2-CZ3 4.08Å; M372-W390 HydrophobicContact CB-CE3 3.86Å; M372-W390 HydrophobicContact CB-CZ3 4.3Å; M372-W390 WeakPolarHBondContact O-CZ3 3.45Å; T373-W390 CarbonylContact O-C 3.52Å; T373-W390 WeakPolarHBondContact O-CA 3.25Å; C374-W390 HydrophobicContact CB-CD2 4.01Å; C374-W390 HydrophobicContact CB-CE3 3.74Å; C374-W390 HydrophobicContact CB-CH2 3.88Å; C374-W390 HydrophobicContact CB-CZ2 4.13Å; C374-W390 HydrophobicContact CB-CZ3 3.67Å; S388-W390 PolarHBondContact OG-NE1 3.34Å; W390-D392 VanDerWaalsContact CB-OD1 3.26Å; W390-D392 WeakPolarHBondContact CB-OD1 3.47Å; W390-D392 PolarHBondContact O-N 3.11Å; W390-G393 PolarHBondContact O-N 3.4Å; W390-K394 PolarHBondContact N-O 2.93Å; W390-F398 HydrophobicContact CZ2-CE2 4.13Å; W390-F398 HydrophobicContact CZ2-CZ 4.33Å; W390-V417 PolarHBondContact O-N 2.76Å
391	N	96.3	Very high	94	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.1	176.8	66.3	-10.5	0	0	0	114.4	T373 G393 G416	T373-N391 VanDerWaalsContact N-CG 3.3Å; T373-N391 PolarHBondContact N-ND2 3.26Å; T373-N391 PolarHBondContact N-OD1 2.71Å; T373-N391 VanDerWaalsContact N-OD1 3.1Å; T373-N391 PolarHBondContact O-N 2.87Å; T373-N391 WeakPolarHBondContact OG1-CB 3.08Å; T373-N391 PolarHBondContact OG1-ND2 2.9Å; N391-G393 PolarHBondContact O-N 2.88Å; N391-G393 VanDerWaalsContact O-N 3.16Å; N391-G416 VanDerWaalsContact O-CA 3.28Å; N391-G416 WeakPolarHBondContact O-CA 3.25Å
392	D	95.1	Very high	94	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	7.8	176.5	76.8	-25.9	0	0	0	114.1	M372 W390 K394 R396	M372-D392 HydrophobicContact SD-CB 3.63Å; W390-D392 VanDerWaalsContact CB-OD1 3.26Å; W390-D392 WeakPolarHBondContact CB-OD1 3.47Å; W390-D392 PolarHBondContact O-N 3.11Å; D392-K394 VanDerWaalsContact C-N 3.26Å; D392-K394 PolarHBondContact O-N 2.86Å; D392-K394 WeakPolarHBondContact OD1-CB 3.28Å; D392-K394 PolarHBondContact OD1-N 2.88Å; D392-K394 WeakPolarHBondContact OD2-CD 3.41Å; D392-K394 WeakPolarHBondContact OD2-CE 3.24Å; D392-K394 IonicContact OD2-NZ 3.13Å; D392-K394 PolarHBondContact OD2-NZ 3.01Å; D392-R396 IonicContact OD1-CZ 2.64Å; D392-R396 IonicContact OD1-NH1 2.71Å; D392-R396 PolarHBondContact OD1-NH1 2.91Å; D392-R396 IonicContact OD1-NH2 2.86Å; D392-R396 IonicContact OD2-CZ 2.65Å; D392-R396 IonicContact OD2-NH1 3.61Å; D392-R396 IonicContact OD2-NH2 2.86Å; D392-R396 PolarHBondContact OD2-NH2 3.33Å
393	G	95.3	Very high	94	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	76.6	13.5	176.9	0	0	0	0	0	113.4	W390 N391 A412 H413	W390-G393 PolarHBondContact O-N 3.4Å; N391-G393 PolarHBondContact O-N 2.88Å; N391-G393 VanDerWaalsContact O-N 3.16Å; G393-A412 WeakPolarHBondContact O-CA 3.43Å; G393-A412 VanDerWaalsContact O-CB 3.29Å; G393-A412 WeakPolarHBondContact O-CB 3.38Å; G393-A412 PolarHBondContact O-N 3.11Å; G393-H413 VanDerWaalsContact CA-O 3.24Å; G393-H413 WeakPolarHBondContact CA-O 3.25Å; G393-H413 PolarHBondContact O-N 2.84Å; G393-H413 VanDerWaalsContact O-N 3.08Å
394	K	96.4	Very high	94.2	Very high	52 Å²	52	40.7 Å²	40.7	23%	0.226	20%	0.201	C	C	.	.			trans	-108	150.1	177.8	-55.4	-176.6	-163.3	128	0	111.5	W390 D392 V408 I409	W390-K394 PolarHBondContact N-O 2.93Å; D392-K394 VanDerWaalsContact C-N 3.26Å; D392-K394 PolarHBondContact O-N 2.86Å; D392-K394 WeakPolarHBondContact OD1-CB 3.28Å; D392-K394 PolarHBondContact OD1-N 2.88Å; D392-K394 WeakPolarHBondContact OD2-CD 3.41Å; D392-K394 WeakPolarHBondContact OD2-CE 3.24Å; D392-K394 IonicContact OD2-NZ 3.13Å; D392-K394 PolarHBondContact OD2-NZ 3.01Å; K394-V408 HydrophobicContact CB-CG1 4.45Å; K394-V408 HydrophobicContact CD-CG1 4.12Å; K394-I409 WeakPolarHBondContact CA-O 3.5Å; K394-I409 WeakPolarHBondContact CB-O 3.36Å
395	I	97.3	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.9	167.7	-58.2	167.2	0	0	0	107.2	S388 V408 I409 A412 V417 I420 S431	S388-I395 WeakPolarHBondContact O-CA 3.26Å; I395-V408 WeakPolarHBondContact O-CA 3.25Å; I395-I409 HydrophobicContact CB-CB 4.09Å; I395-I409 HydrophobicContact CB-CD1 4.28Å; I395-I409 HydrophobicContact CB-CG1 4.36Å; I395-I409 HydrophobicContact CD1-CD1 4.35Å; I395-I409 HydrophobicContact CG2-CD1 4.45Å; I395-I409 PolarHBondContact N-O 2.85Å; I395-I409 PolarHBondContact O-N 2.93Å; I395-A412 HydrophobicContact CD1-CB 3.82Å; I395-A412 HydrophobicContact CG1-CB 3.83Å; I395-V417 HydrophobicContact CG1-CG1 4.17Å; I395-V417 HydrophobicContact CG1-CG2 3.97Å; I395-I420 HydrophobicContact CG1-CD1 4.41Å; I395-I420 HydrophobicContact CG2-CD1 3.49Å; I395-I420 VanDerWaalsContact CG2-CD1 3.49Å; I395-S431 VanDerWaalsContact CD1-CB 3.43Å
396	R	96.1	Very high	94.3	Very high	25 Å²	25	42 Å²	42	9%	0.094	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.6	177.1	-60.4	175.9	176.3	70.7	-0.7	109.3	S388 D392 F398 V408	S388-R396 PolarHBondContact N-O 2.48Å; S388-R396 PolarHBondContact O-N 3.35Å; S388-R396 PolarHBondContact OG-O 2.85Å; D392-R396 IonicContact OD1-CZ 2.64Å; D392-R396 IonicContact OD1-NH1 2.71Å; D392-R396 PolarHBondContact OD1-NH1 2.91Å; D392-R396 IonicContact OD1-NH2 2.86Å; D392-R396 IonicContact OD2-CZ 2.65Å; D392-R396 IonicContact OD2-NH1 3.61Å; D392-R396 IonicContact OD2-NH2 2.86Å; D392-R396 PolarHBondContact OD2-NH2 3.33Å; R396-F398 HydrophobicContact CB-CD2 4.27Å; R396-F398 HydrophobicContact CB-CE1 4.44Å; R396-F398 HydrophobicContact CB-CE2 3.49Å; R396-F398 VanDerWaalsContact CB-CE2 3.49Å; R396-F398 HydrophobicContact CB-CZ 3.6Å; R396-F398 HydrophobicContact CG-CZ 4.28Å; R396-V408 HydrophobicContact CG-CG1 4.25Å; R396-V408 HydrophobicContact CG-CG2 4.29Å
397	V	95.7	Very high	94.2	Very high	6 Å²	6	43 Å²	43	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.7	175.4	-170.9	0	0	0	0	108	I386 I387 M406 L407 I429	I386-V397 CarbonylContact O-C 3.52Å; I386-V397 WeakPolarHBondContact O-CA 3.42Å; I387-V397 HydrophobicContact CG2-CG1 4.17Å; I387-V397 HydrophobicContact CG2-CG2 4.14Å; V397-M406 PolarHBondContact O-N 2.88Å; V397-L407 HydrophobicContact CB-CB 4.06Å; V397-L407 HydrophobicContact CG2-CB 4.15Å; V397-L407 HydrophobicContact CG2-CD2 4.21Å; V397-L407 PolarHBondContact N-O 2.81Å; V397-L407 PolarHBondContact O-N 3.25Å; V397-I429 HydrophobicContact CG2-CD1 4.1Å
398	F	95.6	Very high	94.1	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	-176	-60.4	-80.4	0	0	0	111.5	I353 I367 V369 S385 I386 S388 W390 R396 P400 R404 A405	I353-F398 HydrophobicContact CD1-CD2 4.27Å; I353-F398 HydrophobicContact CD1-CE2 3.97Å; I367-F398 HydrophobicContact CD1-CB 3.74Å; I367-F398 HydrophobicContact CD1-CD1 4.16Å; I367-F398 HydrophobicContact CD1-CD2 4.18Å; I367-F398 HydrophobicContact CD1-CG 3.8Å; I367-F398 HydrophobicContact CG2-CD1 3.81Å; I367-F398 HydrophobicContact CG2-CD2 4.43Å; I367-F398 HydrophobicContact CG2-CE1 3.51Å; I367-F398 HydrophobicContact CG2-CE2 4.15Å; I367-F398 HydrophobicContact CG2-CG 4.26Å; I367-F398 HydrophobicContact CG2-CZ 3.68Å; V369-F398 HydrophobicContact CG2-CZ 4.39Å; S385-F398 WeakPolarHBondContact CA-O 3.49Å; I386-F398 HydrophobicContact CB-CB 4.46Å; I386-F398 PolarHBondContact N-O 2.77Å; I386-F398 PolarHBondContact O-N 3.3Å; S388-F398 VanDerWaalsContact OG-CE2 3.27Å; S388-F398 WeakPolarHBondContact OG-CE2 3.44Å; W390-F398 HydrophobicContact CZ2-CE2 4.13Å; W390-F398 HydrophobicContact CZ2-CZ 4.33Å; R396-F398 HydrophobicContact CB-CD2 4.27Å; R396-F398 HydrophobicContact CB-CE1 4.44Å; R396-F398 HydrophobicContact CB-CE2 3.49Å; R396-F398 VanDerWaalsContact CB-CE2 3.49Å; R396-F398 HydrophobicContact CB-CZ 3.6Å; R396-F398 HydrophobicContact CG-CZ 4.28Å; F398-P400 WeakPolarHBondContact O-CD 3.49Å; F398-R404 WeakPolarHBondContact CA-O 3.34Å; F398-A405 HydrophobicContact CD1-CB 3.93Å; F398-A405 HydrophobicContact CE1-CB 3.79Å
399	A	93.2	Very high	94	Very high	18 Å²	18	44.9 Å²	44.9	15%	0.149	23%	0.234	C	C	.	.			trans	-74.6	121.4	168	0	0	0	0	0	109.8	E401 T402 G403 R404 M406	A399-E401 VanDerWaalsContact C-N 3.29Å; A399-E401 PolarHBondContact O-N 3.24Å; A399-T402 PolarHBondContact O-N 2.92Å; A399-G403 WeakPolarHBondContact O-CA 3.41Å; A399-G403 PolarHBondContact O-N 3.04Å; A399-R404 PolarHBondContact N-O 3.49Å; A399-M406 HydrophobicContact CB-CG 4.07Å; A399-M406 HydrophobicContact CB-SD 3.85Å
400	P	89.1	Confident	93.9	Very high	28 Å²	28	50.2 Å²	50.2	18%	0.182	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.4	-176.3	-10.2	13.3	0	0	0	114.8	L365 F379 G383 H384 I386 F398	L365-P400 VanDerWaalsContact CD2-O 3.25Å; L365-P400 WeakPolarHBondContact CD2-O 3.34Å; F379-P400 HydrophobicContact CE1-CB 4.48Å; G383-P400 VanDerWaalsContact O-CG 3.25Å; G383-P400 WeakPolarHBondContact O-CG 3.29Å; H384-P400 WeakPolarHBondContact O-CD 3.39Å; I386-P400 HydrophobicContact CD1-CB 3.92Å; I386-P400 HydrophobicContact CD1-CG 4.41Å; I386-P400 HydrophobicContact CG1-CB 4.09Å; I386-P400 HydrophobicContact CG1-CG 4.04Å; F398-P400 WeakPolarHBondContact O-CD 3.49Å
401	E	88.6	Confident	93.6	Very high	178 Å²	178	56.5 Å²	56.5	83%	0.832	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-35.3	-178.2	-64	175.2	176.1	0	0	113	A399	A399-E401 VanDerWaalsContact C-N 3.29Å; A399-E401 PolarHBondContact O-N 3.24Å
402	T	90.9	Very high	93.5	Very high	76 Å²	76	53.5 Å²	53.5	47%	0.466	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-15.2	-170.8	63.6	0	0	0	0	113.6	A399 R404	A399-T402 PolarHBondContact O-N 2.92Å; T402-R404 PolarHBondContact O-N 3.27Å; T402-R404 WeakPolarHBondContact OG1-CB 3.15Å; T402-R404 WeakPolarHBondContact OG1-CG 3.25Å; T402-R404 PolarHBondContact OG1-N 2.84Å
403	G	91	Very high	93.5	Very high	15 Å²	15	51.6 Å²	51.6	16%	0.155	27%	0.266	C	S	.	.			trans	66.1	9	-171.3	0	0	0	0	0	114.7	A399	A399-G403 WeakPolarHBondContact O-CA 3.41Å; A399-G403 PolarHBondContact O-N 3.04Å
404	R	91.7	Very high	93.5	Very high	190 Å²	190	56.3 Å²	56.3	72%	0.717	30%	0.298	S	S	*	.			trans	-71.6	134.5	178.9	-69.9	-179.1	178	-172.6	1	110.2	F398 A399 T402 M406	F398-R404 WeakPolarHBondContact CA-O 3.34Å; A399-R404 PolarHBondContact N-O 3.49Å; T402-R404 PolarHBondContact O-N 3.27Å; T402-R404 WeakPolarHBondContact OG1-CB 3.15Å; T402-R404 WeakPolarHBondContact OG1-CG 3.25Å; T402-R404 PolarHBondContact OG1-N 2.84Å; R404-M406 PolarHBondContact O-N 2.78Å
405	A	92.2	Very high	93.4	Very high	59 Å²	59	60.2 Å²	60.2	49%	0.488	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	115.2	171.1	0	0	0	0	0	109.3	F398	F398-A405 HydrophobicContact CD1-CB 3.93Å; F398-A405 HydrophobicContact CE1-CB 3.79Å
406	M	92	Very high	93.3	Very high	114 Å²	114	60.4 Å²	60.4	56%	0.562	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-39	176.2	-65.3	179.2	65.6	0	0	111.1	V397 A399 R404	V397-M406 PolarHBondContact O-N 2.88Å; A399-M406 HydrophobicContact CB-CG 4.07Å; A399-M406 HydrophobicContact CB-SD 3.85Å; R404-M406 PolarHBondContact O-N 2.78Å
407	L	93.4	Very high	93.3	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.099	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140.4	-176.4	179.5	69.5	0	0	0	110.2	V397 I409 I443 H448	V397-L407 HydrophobicContact CB-CB 4.06Å; V397-L407 HydrophobicContact CG2-CB 4.15Å; V397-L407 HydrophobicContact CG2-CD2 4.21Å; V397-L407 PolarHBondContact N-O 2.81Å; V397-L407 PolarHBondContact O-N 3.25Å; L407-I409 HydrophobicContact CD2-CG1 4.36Å; L407-I409 HydrophobicContact CG-CG1 4.47Å; L407-I443 HydrophobicContact CD2-CD1 3.73Å; L407-I443 HydrophobicContact CD2-CG2 4.12Å; L407-H448 HydrophobicContact CD1-CB 4.41Å; L407-H448 HydrophobicContact CD2-CB 4.05Å
408	V	95.1	Very high	93.4	Very high	41 Å²	41	60.3 Å²	60.3	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.6	170.3	-176.2	0	0	0	0	108.5	K394 I395 R396 H410	K394-V408 HydrophobicContact CB-CG1 4.45Å; K394-V408 HydrophobicContact CD-CG1 4.12Å; I395-V408 WeakPolarHBondContact O-CA 3.25Å; R396-V408 HydrophobicContact CG-CG1 4.25Å; R396-V408 HydrophobicContact CG-CG2 4.29Å; V408-H410 PolarHBondContact O-CD2 3.44Å
409	I	95.8	Very high	93.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.2	172.4	-53.7	-177.3	0	0	0	107	K394 I395 L407 A412 W441 I443 H448	K394-I409 WeakPolarHBondContact CA-O 3.5Å; K394-I409 WeakPolarHBondContact CB-O 3.36Å; I395-I409 HydrophobicContact CB-CB 4.09Å; I395-I409 HydrophobicContact CB-CD1 4.28Å; I395-I409 HydrophobicContact CB-CG1 4.36Å; I395-I409 HydrophobicContact CD1-CD1 4.35Å; I395-I409 HydrophobicContact CG2-CD1 4.45Å; I395-I409 PolarHBondContact N-O 2.85Å; I395-I409 PolarHBondContact O-N 2.93Å; L407-I409 HydrophobicContact CD2-CG1 4.36Å; L407-I409 HydrophobicContact CG-CG1 4.47Å; I409-A412 HydrophobicContact CG2-CB 3.94Å; I409-W441 HydrophobicContact CD1-CB 4.13Å; I409-W441 HydrophobicContact CD1-CD2 4.08Å; I409-W441 HydrophobicContact CD1-CE3 4.28Å; I409-W441 HydrophobicContact CD1-CG 3.99Å; I409-W441 HydrophobicContact CG2-CD2 4.12Å; I409-W441 HydrophobicContact CG2-CE3 3.79Å; I409-W441 HydrophobicContact CG2-CH2 3.75Å; I409-W441 HydrophobicContact CG2-CZ2 4.09Å; I409-W441 HydrophobicContact CG2-CZ3 3.58Å; I409-I443 HydrophobicContact CD1-CD1 4.25Å; I409-H448 HydrophobicContact CD1-CB 4.2Å; I409-H448 HydrophobicContact CG1-CB 4.15Å
410	H	93.4	Very high	93.7	Very high	112 Å²	112	59.7 Å²	59.7	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	142.5	178.8	-68.6	-94.6	0	0	0	110.5	V408 A412	V408-H410 PolarHBondContact O-CD2 3.44Å; H410-A412 PolarHBondContact O-N 3.45Å
411	N	90.6	Very high	94.1	Very high	132 Å²	132	58.5 Å²	58.5	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	38.8	177.5	-52.2	-41.4	0	0	0	113.1	H413 R439	N411-H413 VanDerWaalsContact C-N 3.31Å; N411-H413 PolarHBondContact O-N 3.39Å; N411-R439 PolarHBondContact O-NH1 3.25Å
412	A	94.4	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-63	-39.7	177.8	0	0	0	0	0	111.1	G393 I395 I409 H410 V417 R439 W441	G393-A412 WeakPolarHBondContact O-CA 3.43Å; G393-A412 VanDerWaalsContact O-CB 3.29Å; G393-A412 WeakPolarHBondContact O-CB 3.38Å; G393-A412 PolarHBondContact O-N 3.11Å; I395-A412 HydrophobicContact CD1-CB 3.82Å; I395-A412 HydrophobicContact CG1-CB 3.83Å; I409-A412 HydrophobicContact CG2-CB 3.94Å; H410-A412 PolarHBondContact O-N 3.45Å; A412-V417 HydrophobicContact CB-CG2 4.19Å; A412-R439 VanDerWaalsContact O-CD 3.23Å; A412-R439 WeakPolarHBondContact O-CD 3.5Å; A412-R439 PolarHBondContact O-NE 3.1Å; A412-R439 PolarHBondContact O-NH1 3.35Å; A412-W441 HydrophobicContact CB-CH2 4.35Å; A412-W441 HydrophobicContact CB-CZ2 3.81Å
413	H	96.1	Very high	94.6	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.037	26%	0.256	C	S	.	.			trans	-146.4	155.6	176.6	-72.6	-77.9	0	0	0	111.4	G393 N411 G416 V417 S431 G433 E435 Q437	G393-H413 VanDerWaalsContact CA-O 3.24Å; G393-H413 WeakPolarHBondContact CA-O 3.25Å; G393-H413 PolarHBondContact O-N 2.84Å; G393-H413 VanDerWaalsContact O-N 3.08Å; N411-H413 VanDerWaalsContact C-N 3.31Å; N411-H413 PolarHBondContact O-N 3.39Å; H413-G416 WeakPolarHBondContact CB-O 3.49Å; H413-V417 HydrophobicContact CB-CG2 4.19Å; H413-S431 PolarHBondContact NE2-OG 3.32Å; H413-G433 PolarHBondContact CE1-N 3.08Å; H413-G433 WeakPolarHBondContact ND1-CA 3.11Å; H413-E435 WeakPolarHBondContact CB-OE1 3.21Å; H413-E435 IonicContact CE1-OE1 2.68Å; H413-E435 IonicContact CG-OE1 2.68Å; H413-E435 IonicContact ND1-OE1 3.72Å; H413-E435 PolarHBondContact ND1-OE1 3.39Å; H413-Q437 PolarHBondContact CE1-O 3.43Å
414	S	94.1	Very high	94.7	Very high	100 Å²	100	51.8 Å²	51.8	70%	0.699	27%	0.269	S	S	*	.	S	Bend	trans	-85.4	-30.4	-175.9	53.6	0	0	0	0	113.9	E435	S414-E435 PolarHBondContact N-OE2 3.43Å; S414-E435 VanDerWaalsContact N-OE2 3.13Å; S414-E435 PolarHBondContact OG-OE2 3.26Å; S414-E435 VanDerWaalsContact OG-OE2 3.13Å
415	M	94.9	Very high	94.7	Very high	135 Å²	135	45.9 Å²	45.9	67%	0.665	25%	0.252	S	S	*	.	S	Bend	trans	-111.5	33.4	-178.6	-66.2	-170.9	67	0	0	112.1	E435	M415-E435 HydrophobicContact CB-CB 4.48Å; M415-E435 HydrophobicContact CG-CB 4.29Å; M415-E435 PolarHBondContact N-OE2 2.82Å; M415-E435 HydrophobicContact SD-CB 4.25Å
416	G	94.8	Very high	94.7	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.031	24%	0.237	C	C	.	.			trans	79.7	158.8	-173.6	0	0	0	0	0	113.1	N391 H413 G433 G434	N391-G416 VanDerWaalsContact O-CA 3.28Å; N391-G416 WeakPolarHBondContact O-CA 3.25Å; H413-G416 WeakPolarHBondContact CB-O 3.49Å; G416-G433 WeakPolarHBondContact O-CA 3.34Å; G416-G434 PolarHBondContact O-N 2.82Å
417	V	97.6	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124	173.2	-164.7	0	0	0	0	107.6	N375 A389 W390 I395 A412 H413 G432	N375-V417 PolarHBondContact ND2-O 3.3Å; A389-V417 HydrophobicContact CB-CB 3.7Å; A389-V417 HydrophobicContact CB-CG1 3.54Å; W390-V417 PolarHBondContact O-N 2.76Å; I395-V417 HydrophobicContact CG1-CG1 4.17Å; I395-V417 HydrophobicContact CG1-CG2 3.97Å; A412-V417 HydrophobicContact CB-CG2 4.19Å; H413-V417 HydrophobicContact CB-CG2 4.19Å; V417-G432 WeakPolarHBondContact CG1-O 3.27Å
418	T	97	Very high	94.8	Very high	30 Å²	30	45.9 Å²	45.9	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-23.5	-172.3	46.7	0	0	0	0	113.3	G432 T460 V461	T418-G432 PolarHBondContact N-O 2.72Å; T418-G432 PolarHBondContact OG1-O 3.28Å; T418-T460 PolarHBondContact OG1-OG1 2.88Å; T418-V461 VanDerWaalsContact CB-O 3.31Å; T418-V461 WeakPolarHBondContact CB-O 3.43Å; T418-V461 PolarHBondContact OG1-O 3.03Å
419	A	96.9	Very high	94.9	Very high	4 Å²	4	44 Å²	44	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.4	176	0	0	0	0	0	110.9	G432 V461 I464	A419-G432 PolarHBondContact N-O 3.21Å; A419-G432 PolarHBondContact O-N 3.18Å; A419-V461 HydrophobicContact CB-CG1 4.34Å; A419-I464 HydrophobicContact CB-CB 4.47Å; A419-I464 HydrophobicContact CB-CD1 3.93Å; A419-I464 HydrophobicContact CB-CG1 3.73Å
420	I	97.8	Very high	95	Very high	9 Å²	9	44 Å²	44	5%	0.046	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.4	-178.4	-164.7	170.1	0	0	0	110.2	A376 I387 A389 I395 I429 V430	A376-I420 HydrophobicContact CB-CG2 4.1Å; I387-I420 HydrophobicContact CB-CD1 3.84Å; I387-I420 HydrophobicContact CD1-CD1 3.9Å; I387-I420 HydrophobicContact CD1-CG1 3.73Å; I387-I420 HydrophobicContact CG1-CD1 3.89Å; I387-I420 HydrophobicContact CG1-CG1 4.16Å; I387-I420 HydrophobicContact CG1-CG2 4.38Å; A389-I420 HydrophobicContact CB-CB 4.14Å; A389-I420 HydrophobicContact CB-CG2 4.11Å; I395-I420 HydrophobicContact CG1-CD1 4.41Å; I395-I420 HydrophobicContact CG2-CD1 3.49Å; I395-I420 VanDerWaalsContact CG2-CD1 3.49Å; I420-I429 HydrophobicContact CD1-CG2 3.79Å; I420-I429 HydrophobicContact CG1-CG2 3.61Å; I420-V430 WeakPolarHBondContact CA-O 3.36Å
421	A	97	Very high	95.2	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.1	171.9	0	0	0	0	0	110.6	V430 I464 I466	A421-V430 PolarHBondContact N-O 2.75Å; A421-V430 PolarHBondContact O-N 2.85Å; A421-I464 HydrophobicContact CB-CB 4.23Å; A421-I464 HydrophobicContact CB-CG2 3.81Å; A421-I466 HydrophobicContact CB-CD1 3.63Å; A421-I466 HydrophobicContact CB-CG1 3.93Å
422	G	95.5	Very high	95.5	Very high	16 Å²	16	32.4 Å²	32.4	17%	0.165	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.1	174	0	0	0	0	0	112.4	I466	G422-I466 WeakPolarHBondContact O-CD1 3.44Å
423	T	95.4	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.169	C	C	.	.			trans	-71.7	154	168.4	52	0	0	0	0	111.2	D425 C426 R428 I466 D470	T423-D425 VanDerWaalsContact C-N 3.29Å; T423-D425 VanDerWaalsContact CB-OD1 3.28Å; T423-D425 WeakPolarHBondContact CB-OD1 3.44Å; T423-D425 PolarHBondContact O-N 2.84Å; T423-D425 PolarHBondContact OG1-OD1 3Å; T423-C426 PolarHBondContact O-N 3.06Å; T423-R428 HydrophobicContact CG2-CB 3.74Å; T423-R428 PolarHBondContact N-O 2.83Å; T423-R428 WeakPolarHBondContact OG1-CA 3.49Å; T423-R428 PolarHBondContact OG1-N 2.92Å; T423-R428 PolarHBondContact OG1-O 2.58Å; T423-R428 VanDerWaalsContact OG1-O 3.04Å; T423-I466 HydrophobicContact CG2-CD1 4.02Å; T423-I466 HydrophobicContact CG2-CG2 4.4Å; T423-D470 WeakPolarHBondContact CA-OD1 3.45Å; T423-D470 WeakPolarHBondContact CB-OD1 3.49Å; T423-D470 HydrophobicContact CG2-CB 4.33Å
424	R	92.1	Very high	95.6	Very high	112 Å²	112	32.7 Å²	32.7	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.5	177.9	-63	-165.2	175.4	-144.2	2.8	113	I381 C426 S468 D470	I381-R424 HydrophobicContact CD1-CG 4.46Å; I381-R424 HydrophobicContact CG2-CB 4.49Å; I381-R424 WeakPolarHBondContact CG2-O 3.42Å; R424-C426 PolarHBondContact O-N 3.08Å; R424-S468 WeakPolarHBondContact CD-O 3.45Å; R424-D470 WeakPolarHBondContact CB-OD2 3.25Å; R424-D470 VanDerWaalsContact N-CG 3.33Å; R424-D470 PolarHBondContact N-OD1 2.98Å; R424-D470 PolarHBondContact N-OD2 2.97Å; R424-D470 VanDerWaalsContact N-OD2 3.16Å
425	D	92.1	Very high	95.7	Very high	65 Å²	65	29.6 Å²	29.6	35%	0.348	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-3.2	170.5	72.6	-1.9	0	0	0	113.8	T423 K427 D470	T423-D425 VanDerWaalsContact C-N 3.29Å; T423-D425 VanDerWaalsContact CB-OD1 3.28Å; T423-D425 WeakPolarHBondContact CB-OD1 3.44Å; T423-D425 PolarHBondContact O-N 2.84Å; T423-D425 PolarHBondContact OG1-OD1 3Å; D425-K427 PolarHBondContact O-N 2.93Å; D425-K427 VanDerWaalsContact O-N 3.14Å; D425-K427 PolarHBondContact OD1-N 2.97Å; D425-D470 PolarHBondContact N-OD2 3.05Å
426	C	92.2	Very high	95.7	Very high	27 Å²	27	23.2 Å²	23.2	18%	0.182	12%	0.117	C	C	.	.	S	Bend	trans	58.9	11.7	-174.5	-68.1	0	0	0	0	116.4	M380 I381 D382 T423 R424	M380-C426 VanDerWaalsContact CE-CA 3.41Å; M380-C426 HydrophobicContact CE-CB 3.95Å; I381-C426 VanDerWaalsContact CG2-SG 3.53Å; D382-C426 PolarHBondContact N-SG 3.36Å; D382-C426 VanDerWaalsContact N-SG 3.44Å; D382-C426 PolarHBondContact OD2-SG 3.03Å; T423-C426 PolarHBondContact O-N 3.06Å; R424-C426 PolarHBondContact O-N 3.08Å
427	K	92.3	Very high	95.7	Very high	126 Å²	126	25 Å²	25	55%	0.548	13%	0.125	S	C	.	.	S	Bend	trans	-98.3	-18.1	-174.7	-68.9	172.9	-174.3	176	0	113.5	D425 E442 I443	D425-K427 PolarHBondContact O-N 2.93Å; D425-K427 VanDerWaalsContact O-N 3.14Å; D425-K427 PolarHBondContact OD1-N 2.97Å; K427-E442 CarbonylContact O-C 3.6Å; K427-E442 WeakPolarHBondContact O-CA 3.38Å; K427-I443 PolarHBondContact O-N 2.89Å
428	R	95.2	Very high	95.8	Very high	39 Å²	39	25 Å²	25	15%	0.147	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.6	-175.8	-64.1	179.7	-72.9	165.5	4.6	112.4	T423 V440 W441 I451 D470 L487	T423-R428 HydrophobicContact CG2-CB 3.74Å; T423-R428 PolarHBondContact N-O 2.83Å; T423-R428 WeakPolarHBondContact OG1-CA 3.49Å; T423-R428 PolarHBondContact OG1-N 2.92Å; T423-R428 PolarHBondContact OG1-O 2.58Å; T423-R428 VanDerWaalsContact OG1-O 3.04Å; R428-V440 HydrophobicContact CB-CG1 4.44Å; R428-W441 CarbonylContact C-O 3.5Å; R428-W441 WeakPolarHBondContact CA-O 3.36Å; R428-W441 WeakPolarHBondContact CB-O 3.33Å; R428-I451 HydrophobicContact CG-CD1 4.01Å; R428-D470 PolarHBondContact NH2-O 3.1Å; R428-L487 PolarHBondContact NH1-O 2.77Å
429	I	96.8	Very high	95.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.7	171.1	-63.8	179.1	0	0	0	107.7	I387 V397 I420 W441 I443	I387-I429 HydrophobicContact CB-CD1 4.28Å; I387-I429 HydrophobicContact CD1-CG1 4.4Å; I387-I429 HydrophobicContact CD1-CG2 4.35Å; I387-I429 HydrophobicContact CG2-CD1 3.62Å; I387-I429 HydrophobicContact CG2-CG1 4.37Å; V397-I429 HydrophobicContact CG2-CD1 4.1Å; I420-I429 HydrophobicContact CD1-CG2 3.79Å; I420-I429 HydrophobicContact CG1-CG2 3.61Å; I429-W441 HydrophobicContact CB-CB 4.43Å; I429-W441 PolarHBondContact N-O 3.16Å; I429-W441 PolarHBondContact O-N 3.48Å; I429-I443 HydrophobicContact CD1-CD1 3.54Å; I429-I443 HydrophobicContact CD1-CG1 3.8Å; I429-I443 HydrophobicContact CG1-CD1 3.94Å; I429-I443 HydrophobicContact CG1-CG1 3.78Å
430	V	97.9	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	168.9	-173.2	0	0	0	0	108.1	I420 A421 V438 R439 V440 I464 I466 L487	I420-V430 WeakPolarHBondContact CA-O 3.36Å; A421-V430 PolarHBondContact N-O 2.75Å; A421-V430 PolarHBondContact O-N 2.85Å; V430-V438 HydrophobicContact CG1-CG1 3.58Å; V430-R439 CarbonylContact C-O 3.5Å; V430-R439 WeakPolarHBondContact CA-O 3.4Å; V430-V440 HydrophobicContact CG2-CG2 4.36Å; V430-I464 HydrophobicContact CB-CG2 4.26Å; V430-I464 HydrophobicContact CG1-CD1 4.22Å; V430-I464 HydrophobicContact CG1-CG2 4.03Å; V430-I466 HydrophobicContact CB-CD1 4.26Å; V430-I466 HydrophobicContact CG2-CD1 3.79Å; V430-I466 HydrophobicContact CG2-CG1 4.29Å; V430-L487 HydrophobicContact CG2-CD1 4.35Å; V430-L487 HydrophobicContact CG2-CD2 3.97Å
431	S	98	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.9	-179.9	68.6	0	0	0	0	112.2	I395 H413 V438 R439 W441	I395-S431 VanDerWaalsContact CD1-CB 3.43Å; H413-S431 PolarHBondContact NE2-OG 3.32Å; S431-V438 CarbonylContact O-C 3.47Å; S431-V438 VanDerWaalsContact O-CA 3.3Å; S431-V438 WeakPolarHBondContact O-CA 3.3Å; S431-R439 PolarHBondContact N-O 3.31Å; S431-R439 PolarHBondContact O-N 3.06Å; S431-W441 PolarHBondContact OG-NE1 3.42Å
432	G	97.6	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130	175.4	0	0	0	0	0	110.8	V417 T418 A419 I464	V417-G432 WeakPolarHBondContact CG1-O 3.27Å; T418-G432 PolarHBondContact N-O 2.72Å; T418-G432 PolarHBondContact OG1-O 3.28Å; A419-G432 PolarHBondContact N-O 3.21Å; A419-G432 PolarHBondContact O-N 3.18Å; G432-I464 VanDerWaalsContact N-CD1 3.3Å
433	G	96.5	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	160.2	179.9	0	0	0	0	0	113.9	H413 G416 E435 G436 Q437 V461	H413-G433 PolarHBondContact CE1-N 3.08Å; H413-G433 WeakPolarHBondContact ND1-CA 3.11Å; G416-G433 WeakPolarHBondContact O-CA 3.34Å; G433-E435 PolarHBondContact O-N 2.9Å; G433-G436 PolarHBondContact O-N 2.76Å; G433-G436 VanDerWaalsContact O-N 3.11Å; G433-Q437 PolarHBondContact N-O 3.42Å; G433-V461 PolarHBondContact O-N 3.13Å
434	G	95.8	Very high	95.2	Very high	14 Å²	14	32.3 Å²	32.3	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.4	168.5	0	0	0	0	0	113.2	G416 G436 T460	G416-G434 PolarHBondContact O-N 2.82Å; G434-G436 VanDerWaalsContact C-N 3.33Å; G434-G436 PolarHBondContact O-N 2.87Å; G434-T460 VanDerWaalsContact O-CA 3.31Å; G434-T460 WeakPolarHBondContact O-CA 3.41Å; G434-T460 PolarHBondContact O-N 3.25Å
435	E	95.3	Very high	94.7	Very high	35 Å²	35	36.7 Å²	36.7	16%	0.164	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.1	176.7	70.1	-91.7	-173.4	0	0	115.2	H413 S414 M415 G433 Q437	H413-E435 WeakPolarHBondContact CB-OE1 3.21Å; H413-E435 IonicContact CE1-OE1 2.68Å; H413-E435 IonicContact CG-OE1 2.68Å; H413-E435 IonicContact ND1-OE1 3.72Å; H413-E435 PolarHBondContact ND1-OE1 3.39Å; S414-E435 PolarHBondContact N-OE2 3.43Å; S414-E435 VanDerWaalsContact N-OE2 3.13Å; S414-E435 PolarHBondContact OG-OE2 3.26Å; S414-E435 VanDerWaalsContact OG-OE2 3.13Å; M415-E435 HydrophobicContact CB-CB 4.48Å; M415-E435 HydrophobicContact CG-CB 4.29Å; M415-E435 PolarHBondContact N-OE2 2.82Å; M415-E435 HydrophobicContact SD-CB 4.25Å; G433-E435 PolarHBondContact O-N 2.9Å; E435-Q437 HydrophobicContact CG-CB 4.11Å; E435-Q437 HydrophobicContact CG-CG 3.76Å
436	G	95.3	Very high	93.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	88.8	4.8	-177.7	0	0	0	0	0	116.1	G433 G434 H457 A459	G433-G436 PolarHBondContact O-N 2.76Å; G433-G436 VanDerWaalsContact O-N 3.11Å; G434-G436 VanDerWaalsContact C-N 3.33Å; G434-G436 PolarHBondContact O-N 2.87Å; G436-H457 WeakPolarHBondContact O-CB 3.31Å; G436-A459 WeakPolarHBondContact CA-O 3.36Å; G436-A459 PolarHBondContact N-O 3.48Å
437	Q	96.6	Very high	93.6	Very high	40 Å²	40	38.6 Å²	38.6	19%	0.187	21%	0.207	C	C	.	.			trans	-81.6	138.6	173.4	-62.5	-176.1	8.6	0	0	110.6	H413 G433 E435 T453 K455	H413-Q437 PolarHBondContact CE1-O 3.43Å; G433-Q437 PolarHBondContact N-O 3.42Å; E435-Q437 HydrophobicContact CG-CB 4.11Å; E435-Q437 HydrophobicContact CG-CG 3.76Å; Q437-T453 HydrophobicContact CB-CG2 4.29Å; Q437-T453 HydrophobicContact CG-CG2 4.5Å; Q437-K455 HydrophobicContact CG-CG 4.1Å
438	V	97.8	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.5	168.6	-175.6	0	0	0	0	108	V430 S431 M454 V461 T475	V430-V438 HydrophobicContact CG1-CG1 3.58Å; S431-V438 CarbonylContact O-C 3.47Å; S431-V438 VanDerWaalsContact O-CA 3.3Å; S431-V438 WeakPolarHBondContact O-CA 3.3Å; V438-M454 HydrophobicContact CB-CB 4.35Å; V438-M454 HydrophobicContact CB-CE 3.88Å; V438-M454 HydrophobicContact CG1-CE 3.45Å; V438-M454 VanDerWaalsContact CG1-CE 3.45Å; V438-M454 PolarHBondContact N-O 2.84Å; V438-M454 PolarHBondContact O-N 2.79Å; V438-V461 HydrophobicContact CG2-CG2 3.94Å; V438-T475 HydrophobicContact CG1-CG2 3.97Å; V438-T475 HydrophobicContact CG2-CG2 3.75Å
439	R	97.9	Very high	93.6	Very high	43 Å²	43	40.8 Å²	40.8	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	-177.2	-69.4	179.3	-175.7	-169	0.6	110.7	N411 A412 V430 S431 W441 L450 E452 T453	N411-R439 PolarHBondContact O-NH1 3.25Å; A412-R439 VanDerWaalsContact O-CD 3.23Å; A412-R439 WeakPolarHBondContact O-CD 3.5Å; A412-R439 PolarHBondContact O-NE 3.1Å; A412-R439 PolarHBondContact O-NH1 3.35Å; V430-R439 CarbonylContact C-O 3.5Å; V430-R439 WeakPolarHBondContact CA-O 3.4Å; S431-R439 PolarHBondContact N-O 3.31Å; S431-R439 PolarHBondContact O-N 3.06Å; R439-W441 HydrophobicContact CB-CZ2 4.06Å; R439-W441 HydrophobicContact CG-CZ2 4.48Å; R439-L450 HydrophobicContact CB-CD1 3.92Å; R439-L450 HydrophobicContact CG-CD1 4.17Å; R439-E452 WeakPolarHBondContact CA-O 3.03Å; R439-T453 HydrophobicContact CG-CG2 3.88Å
440	V	97.6	Very high	93.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.1	175.4	-171.5	0	0	0	0	108.6	R428 V430 I451 E452 M454 L487 F490	R428-V440 HydrophobicContact CB-CG1 4.44Å; V430-V440 HydrophobicContact CG2-CG2 4.36Å; V440-I451 HydrophobicContact CG1-CD1 4.03Å; V440-I451 WeakPolarHBondContact O-CB 3.34Å; V440-I451 PolarHBondContact O-N 3.4Å; V440-E452 PolarHBondContact N-O 2.73Å; V440-E452 PolarHBondContact O-N 3.14Å; V440-M454 HydrophobicContact CG2-CE 3.87Å; V440-L487 HydrophobicContact CG2-CD2 3.92Å; V440-F490 HydrophobicContact CB-CE1 4.12Å; V440-F490 HydrophobicContact CG1-CE1 4.2Å; V440-F490 HydrophobicContact CG2-CD1 4.13Å; V440-F490 HydrophobicContact CG2-CE1 4.02Å
441	W	96.9	Very high	93.5	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.045	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.9	-178.7	-52.3	88.6	0	0	0	109.4	I409 A412 R428 I429 S431 R439 R449 L450	I409-W441 HydrophobicContact CD1-CB 4.13Å; I409-W441 HydrophobicContact CD1-CD2 4.08Å; I409-W441 HydrophobicContact CD1-CE3 4.28Å; I409-W441 HydrophobicContact CD1-CG 3.99Å; I409-W441 HydrophobicContact CG2-CD2 4.12Å; I409-W441 HydrophobicContact CG2-CE3 3.79Å; I409-W441 HydrophobicContact CG2-CH2 3.75Å; I409-W441 HydrophobicContact CG2-CZ2 4.09Å; I409-W441 HydrophobicContact CG2-CZ3 3.58Å; A412-W441 HydrophobicContact CB-CH2 4.35Å; A412-W441 HydrophobicContact CB-CZ2 3.81Å; R428-W441 CarbonylContact C-O 3.5Å; R428-W441 WeakPolarHBondContact CA-O 3.36Å; R428-W441 WeakPolarHBondContact CB-O 3.33Å; I429-W441 HydrophobicContact CB-CB 4.43Å; I429-W441 PolarHBondContact N-O 3.16Å; I429-W441 PolarHBondContact O-N 3.48Å; S431-W441 PolarHBondContact OG-NE1 3.42Å; R439-W441 HydrophobicContact CB-CZ2 4.06Å; R439-W441 HydrophobicContact CG-CZ2 4.48Å; W441-R449 CarbonylContact C-O 3.59Å; W441-R449 WeakPolarHBondContact CA-O 3.5Å; W441-L450 HydrophobicContact CD2-CD1 4.05Å; W441-L450 HydrophobicContact CE3-CB 3.87Å; W441-L450 HydrophobicContact CE3-CD1 3.98Å; W441-L450 HydrophobicContact CH2-CB 4.32Å; W441-L450 HydrophobicContact CH2-CD1 3.93Å; W441-L450 HydrophobicContact CH2-CG 4.5Å; W441-L450 HydrophobicContact CZ2-CD1 3.98Å; W441-L450 HydrophobicContact CZ3-CB 3.65Å; W441-L450 HydrophobicContact CZ3-CD1 3.94Å; W441-L450 HydrophobicContact CZ3-CG 4.27Å
442	E	95.4	Very high	93.4	Very high	44 Å²	44	50.9 Å²	50.9	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.4	166.3	-167.4	177.2	-141.6	0	0	109.6	K427 L444 H448 R449 I451	K427-E442 CarbonylContact O-C 3.6Å; K427-E442 WeakPolarHBondContact O-CA 3.38Å; E442-L444 HydrophobicContact CG-CD2 4.26Å; E442-L444 HydrophobicContact CG-CG 4.32Å; E442-H448 VanDerWaalsContact O-CA 3.26Å; E442-H448 WeakPolarHBondContact O-CA 3.27Å; E442-R449 HydrophobicContact CB-CB 4.34Å; E442-R449 PolarHBondContact N-O 2.89Å; E442-R449 PolarHBondContact O-N 3.33Å; E442-R449 IonicContact OE1-NH2 3.56Å; E442-R449 IonicContact OE2-CZ 3.92Å; E442-R449 IonicContact OE2-NE 3.85Å; E442-R449 PolarHBondContact OE2-NE 3.27Å; E442-R449 IonicContact OE2-NH2 3.05Å; E442-R449 PolarHBondContact OE2-NH2 2.96Å; E442-I451 HydrophobicContact CB-CD1 3.78Å; E442-I451 HydrophobicContact CB-CG1 3.96Å
443	I	92.3	Very high	93.4	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.205	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.9	177.5	-51.1	-58.5	0	0	0	108.2	L407 I409 K427 I429	L407-I443 HydrophobicContact CD2-CD1 3.73Å; L407-I443 HydrophobicContact CD2-CG2 4.12Å; I409-I443 HydrophobicContact CD1-CD1 4.25Å; K427-I443 PolarHBondContact O-N 2.89Å; I429-I443 HydrophobicContact CD1-CD1 3.54Å; I429-I443 HydrophobicContact CD1-CG1 3.8Å; I429-I443 HydrophobicContact CG1-CD1 3.94Å; I429-I443 HydrophobicContact CG1-CG1 3.78Å
444	L	88.3	Confident	93.3	Very high	79 Å²	79	53 Å²	53	41%	0.414	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	167.1	177.8	-61.9	170.4	0	0	0	108.4	E442 G446 C447	E442-L444 HydrophobicContact CG-CD2 4.26Å; E442-L444 HydrophobicContact CG-CG 4.32Å; L444-G446 PolarHBondContact O-N 3.03Å; L444-C447 CarbonylContact C-O 3.58Å; L444-C447 VanDerWaalsContact CB-SG 3.58Å; L444-C447 PolarHBondContact N-O 3.01Å; L444-C447 PolarHBondContact O-N 2.88Å
445	Q	80.8	Confident	93.3	Very high	204 Å²	204	59 Å²	59	95%	0.953	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	106.8	177.8	-72.5	-176.6	-5.6	0	0	110.8	C447	Q445-C447 VanDerWaalsContact C-N 3.27Å; Q445-C447 PolarHBondContact O-N 3.44Å
446	G	76.3	Confident	93.2	Very high	72 Å²	72	61.9 Å²	61.9	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	3.8	177.6	0	0	0	0	0	116.1	L444	L444-G446 PolarHBondContact O-N 3.03Å
447	C	85.1	Confident	93.3	Very high	60 Å²	60	62.4 Å²	62.4	41%	0.405	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	170.9	178.2	66.1	0	0	0	0	112.3	L444 Q445	L444-C447 CarbonylContact C-O 3.58Å; L444-C447 VanDerWaalsContact CB-SG 3.58Å; L444-C447 PolarHBondContact N-O 3.01Å; L444-C447 PolarHBondContact O-N 2.88Å; Q445-C447 VanDerWaalsContact C-N 3.27Å; Q445-C447 PolarHBondContact O-N 3.44Å
448	H	92.7	Very high	93.2	Very high	67 Å²	67	69.7 Å²	69.7	31%	0.31	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.9	179	59.2	-85.1	0	0	0	110.4	L407 I409 E442	L407-H448 HydrophobicContact CD1-CB 4.41Å; L407-H448 HydrophobicContact CD2-CB 4.05Å; I409-H448 HydrophobicContact CD1-CB 4.2Å; I409-H448 HydrophobicContact CG1-CB 4.15Å; E442-H448 VanDerWaalsContact O-CA 3.26Å; E442-H448 WeakPolarHBondContact O-CA 3.27Å
449	R	94.6	Very high	93.1	Very high	144 Å²	144	71.1 Å²	71.1	54%	0.543	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.5	174.8	-179.8	170.8	66	150.2	1.9	109.5	W441 E442 I451	W441-R449 CarbonylContact C-O 3.59Å; W441-R449 WeakPolarHBondContact CA-O 3.5Å; E442-R449 HydrophobicContact CB-CB 4.34Å; E442-R449 PolarHBondContact N-O 2.89Å; E442-R449 PolarHBondContact O-N 3.33Å; E442-R449 IonicContact OE1-NH2 3.56Å; E442-R449 IonicContact OE2-CZ 3.92Å; E442-R449 IonicContact OE2-NE 3.85Å; E442-R449 PolarHBondContact OE2-NE 3.27Å; E442-R449 IonicContact OE2-NH2 3.05Å; E442-R449 PolarHBondContact OE2-NH2 2.96Å; R449-I451 PolarHBondContact O-N 3.12Å
450	L	96.4	Very high	93.1	Very high	72 Å²	72	70.9 Å²	70.9	38%	0.377	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.9	166.9	-179.9	62.4	0	0	0	107.7	R439 W441	R439-L450 HydrophobicContact CB-CD1 3.92Å; R439-L450 HydrophobicContact CG-CD1 4.17Å; W441-L450 HydrophobicContact CD2-CD1 4.05Å; W441-L450 HydrophobicContact CE3-CB 3.87Å; W441-L450 HydrophobicContact CE3-CD1 3.98Å; W441-L450 HydrophobicContact CH2-CB 4.32Å; W441-L450 HydrophobicContact CH2-CD1 3.93Å; W441-L450 HydrophobicContact CH2-CG 4.5Å; W441-L450 HydrophobicContact CZ2-CD1 3.98Å; W441-L450 HydrophobicContact CZ3-CB 3.65Å; W441-L450 HydrophobicContact CZ3-CD1 3.94Å; W441-L450 HydrophobicContact CZ3-CG 4.27Å
451	I	95.9	Very high	93.1	Very high	47 Å²	47	70.9 Å²	70.9	24%	0.241	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-60.2	174.7	-62.1	164	0	0	0	108.5	R428 V440 E442 R449 F490	R428-I451 HydrophobicContact CG-CD1 4.01Å; V440-I451 HydrophobicContact CG1-CD1 4.03Å; V440-I451 WeakPolarHBondContact O-CB 3.34Å; V440-I451 PolarHBondContact O-N 3.4Å; E442-I451 HydrophobicContact CB-CD1 3.78Å; E442-I451 HydrophobicContact CB-CG1 3.96Å; R449-I451 PolarHBondContact O-N 3.12Å; I451-F490 HydrophobicContact CB-CZ 4.44Å; I451-F490 HydrophobicContact CG2-CE1 3.98Å; I451-F490 HydrophobicContact CG2-CE2 3.76Å; I451-F490 HydrophobicContact CG2-CZ 3.35Å
452	E	96.8	Very high	93.1	Very high	95 Å²	95	71.3 Å²	71.3	44%	0.444	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.8	-175.2	-86.3	-54.9	157.9	0	0	113.6	R439 V440 F490	R439-E452 WeakPolarHBondContact CA-O 3.03Å; V440-E452 PolarHBondContact N-O 2.73Å; V440-E452 PolarHBondContact O-N 3.14Å; E452-F490 HydrophobicContact CB-CB 3.99Å; E452-F490 HydrophobicContact CB-CD1 3.71Å; E452-F490 HydrophobicContact CB-CD2 4.1Å; E452-F490 HydrophobicContact CB-CE1 4.23Å; E452-F490 HydrophobicContact CB-CG 3.64Å; E452-F490 HydrophobicContact CG-CB 3.9Å; E452-F490 HydrophobicContact CG-CD1 4.09Å; E452-F490 HydrophobicContact CG-CD2 3.52Å; E452-F490 HydrophobicContact CG-CE2 4.04Å; E452-F490 HydrophobicContact CG-CG 3.54Å
453	T	96.9	Very high	93.2	Very high	36 Å²	36	69.9 Å²	69.9	22%	0.221	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112.4	175.4	-57.3	0	0	0	0	111	Q437 R439 K455	Q437-T453 HydrophobicContact CB-CG2 4.29Å; Q437-T453 HydrophobicContact CG-CG2 4.5Å; R439-T453 HydrophobicContact CG-CG2 3.88Å; T453-K455 HydrophobicContact CG2-CD 4.37Å; T453-K455 HydrophobicContact CG2-CG 3.88Å
454	M	95.8	Very high	93.4	Very high	9 Å²	9	68.1 Å²	68.1	4%	0.044	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126	179.5	-60.1	172.8	-61	0	0	109.7	V438 V440 W485 F490	V438-M454 HydrophobicContact CB-CB 4.35Å; V438-M454 HydrophobicContact CB-CE 3.88Å; V438-M454 HydrophobicContact CG1-CE 3.45Å; V438-M454 VanDerWaalsContact CG1-CE 3.45Å; V438-M454 PolarHBondContact N-O 2.84Å; V438-M454 PolarHBondContact O-N 2.79Å; V440-M454 HydrophobicContact CG2-CE 3.87Å; M454-W485 HydrophobicContact CB-CE3 4.04Å; M454-W485 HydrophobicContact CB-CH2 3.69Å; M454-W485 HydrophobicContact CB-CZ2 4.21Å; M454-W485 HydrophobicContact CB-CZ3 3.62Å; M454-W485 HydrophobicContact CE-CD2 4.22Å; M454-W485 HydrophobicContact CE-CE3 4.49Å; M454-W485 HydrophobicContact CE-CG 4.26Å; M454-W485 HydrophobicContact CG-CE3 4.06Å; M454-W485 HydrophobicContact CG-CZ3 4.02Å; M454-W485 HydrophobicContact SD-CB 4.16Å; M454-W485 HydrophobicContact SD-CD2 3.73Å; M454-W485 HydrophobicContact SD-CE3 3.45Å; M454-W485 HydrophobicContact SD-CG 4.07Å; M454-W485 HydrophobicContact SD-CZ3 4.04Å; M454-F490 HydrophobicContact CG-CB 4.49Å; M454-F490 HydrophobicContact SD-CB 4.44Å
455	K	94.1	Very high	93.8	Very high	140 Å²	140	67.9 Å²	67.9	61%	0.609	35%	0.346	S	S	*	.			trans	-128.1	58.3	-167.8	-56.6	-172	-178.8	173.2	0	113.2	Q437 T453	Q437-K455 HydrophobicContact CG-CG 4.1Å; T453-K455 HydrophobicContact CG2-CD 4.37Å; T453-K455 HydrophobicContact CG2-CG 3.88Å
456	E	94.9	Very high	94.5	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	31%	0.308	S	S	.	.			trans	-101.5	-35.4	175.8	-67.5	-76.9	136	0	0	112.8	I483 W485 R492	E456-I483 HydrophobicContact CB-CD1 3.6Å; E456-W485 HydrophobicContact CB-CH2 3.57Å; E456-W485 HydrophobicContact CB-CZ2 4.09Å; E456-W485 HydrophobicContact CG-CH2 3.39Å; E456-W485 HydrophobicContact CG-CZ2 4.35Å; E456-W485 HydrophobicContact CG-CZ3 3.98Å; E456-R492 IonicContact OE2-CZ 2.72Å; E456-R492 IonicContact OE2-NH1 3.83Å; E456-R492 PolarHBondContact OE2-NH1 3.3Å
457	H	96.4	Very high	95.4	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.056	28%	0.278	C	S	.	.			trans	-69	143.6	179.6	-69.6	-67.9	0	0	0	111.8	G436 T475 S477 D479 A481 I483	G436-H457 WeakPolarHBondContact O-CB 3.31Å; H457-T475 PolarHBondContact NE2-OG1 2.89Å; H457-S477 VanDerWaalsContact CE1-CB 3.44Å; H457-S477 WeakPolarHBondContact CE1-CB 3.3Å; H457-S477 WeakPolarHBondContact ND1-CB 3.29Å; H457-D479 WeakPolarHBondContact CA-OD2 3.43Å; H457-D479 WeakPolarHBondContact CB-OD2 3.18Å; H457-D479 IonicContact CG-OD2 2.85Å; H457-D479 IonicContact ND1-OD1 3.49Å; H457-D479 PolarHBondContact ND1-OD1 3.37Å; H457-D479 IonicContact ND1-OD2 3.67Å; H457-D479 PolarHBondContact ND1-OD2 3.35Å; H457-A481 PolarHBondContact CE1-O 2.79Å; H457-A481 VanDerWaalsContact CE1-O 3.31Å; H457-I483 VanDerWaalsContact CE1-CD1 3.46Å; H457-I483 WeakPolarHBondContact CE1-CD1 3.34Å; H457-I483 VanDerWaalsContact CE1-CG1 3.48Å; H457-I483 WeakPolarHBondContact CE1-CG1 3.45Å
458	K	94.8	Very high	95.7	Very high	192 Å²	192	57 Å²	57	84%	0.835	28%	0.276	S	S	*	.	S	Bend	trans	-101.1	-8.9	-178.3	-63.1	178.7	-175.9	171.9	0	113.3	D479	K458-D479 HydrophobicContact CB-CB 4.19Å; K458-D479 PolarHBondContact N-OD2 3.2Å
459	A	96.1	Very high	95.6	Very high	30 Å²	30	57 Å²	57	25%	0.248	28%	0.278	C	S	.	.	S	Bend	trans	-142	179.1	-178.9	0	0	0	0	0	110.7	G436 V461 S477 D479	G436-A459 WeakPolarHBondContact CA-O 3.36Å; G436-A459 PolarHBondContact N-O 3.48Å; A459-V461 PolarHBondContact O-N 2.81Å; A459-S477 PolarHBondContact O-OG 2.85Å; A459-S477 VanDerWaalsContact O-OG 3.05Å; A459-D479 HydrophobicContact CB-CB 3.88Å
460	T	96.7	Very high	95.6	Very high	38 Å²	38	50.9 Å²	50.9	23%	0.233	26%	0.256	C	S	.	.			trans	-50.3	134.3	-178.4	176.6	0	0	0	0	113	T418 G434 T462 S477 S478	T418-T460 PolarHBondContact OG1-OG1 2.88Å; G434-T460 VanDerWaalsContact O-CA 3.31Å; G434-T460 WeakPolarHBondContact O-CA 3.41Å; G434-T460 PolarHBondContact O-N 3.25Å; T460-T462 HydrophobicContact CG2-CG2 4.43Å; T460-S477 VanDerWaalsContact O-CA 3.3Å; T460-S477 WeakPolarHBondContact O-CA 3.04Å; T460-S477 WeakPolarHBondContact O-CB 3.14Å; T460-S477 PolarHBondContact O-OG 2.79Å; T460-S478 VanDerWaalsContact CG2-OG 3.3Å; T460-S478 WeakPolarHBondContact CG2-OG 3.24Å; T460-S478 PolarHBondContact O-N 3.22Å
461	V	97.9	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.9	171.3	-177.9	0	0	0	0	108.2	T418 A419 G433 V438 A459 I464 T475 A476	T418-V461 VanDerWaalsContact CB-O 3.31Å; T418-V461 WeakPolarHBondContact CB-O 3.43Å; T418-V461 PolarHBondContact OG1-O 3.03Å; A419-V461 HydrophobicContact CB-CG1 4.34Å; G433-V461 PolarHBondContact O-N 3.13Å; V438-V461 HydrophobicContact CG2-CG2 3.94Å; A459-V461 PolarHBondContact O-N 2.81Å; V461-I464 HydrophobicContact CG1-CD1 4.13Å; V461-I464 HydrophobicContact CG1-CG1 3.87Å; V461-T475 HydrophobicContact CG1-CG2 4.49Å; V461-A476 CarbonylContact C-O 3.52Å; V461-A476 WeakPolarHBondContact CA-O 2.99Å; V461-A476 WeakPolarHBondContact CG1-O 3.48Å
462	T	96.8	Very high	95.5	Very high	21 Å²	21	52.7 Å²	52.7	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-29	-172.1	61.4	0	0	0	0	113.4	T460 A476 S478 F502 R503	T460-T462 HydrophobicContact CG2-CG2 4.43Å; T462-A476 PolarHBondContact N-O 2.91Å; T462-A476 PolarHBondContact OG1-O 2.89Å; T462-S478 WeakPolarHBondContact CG2-OG 3.49Å; T462-F502 WeakPolarHBondContact CG2-O 3.09Å; T462-F502 PolarHBondContact OG1-O 3.32Å; T462-R503 VanDerWaalsContact CB-O 3.31Å; T462-R503 WeakPolarHBondContact CB-O 3.38Å; T462-R503 WeakPolarHBondContact OG1-CA 3.28Å; T462-R503 PolarHBondContact OG1-O 3.06Å
463	S	96.7	Very high	95.5	Very high	14 Å²	14	48.1 Å²	48.1	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.4	-178.2	-174.4	0	0	0	0	111.1	T475 A476	S463-T475 WeakPolarHBondContact O-CA 3.44Å; S463-A476 PolarHBondContact O-N 2.81Å
464	I	97.6	Very high	95.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.5	178.6	-58.8	177.7	0	0	0	107.9	A419 A421 V430 G432 V461 V474 T475	A419-I464 HydrophobicContact CB-CB 4.47Å; A419-I464 HydrophobicContact CB-CD1 3.93Å; A419-I464 HydrophobicContact CB-CG1 3.73Å; A421-I464 HydrophobicContact CB-CB 4.23Å; A421-I464 HydrophobicContact CB-CG2 3.81Å; V430-I464 HydrophobicContact CB-CG2 4.26Å; V430-I464 HydrophobicContact CG1-CD1 4.22Å; V430-I464 HydrophobicContact CG1-CG2 4.03Å; G432-I464 VanDerWaalsContact N-CD1 3.3Å; V461-I464 HydrophobicContact CG1-CD1 4.13Å; V461-I464 HydrophobicContact CG1-CG1 3.87Å; I464-V474 WeakPolarHBondContact CA-O 3.42Å; I464-T475 HydrophobicContact CD1-CG2 4.34Å; I464-T475 HydrophobicContact CG1-CG2 3.91Å; I464-T475 HydrophobicContact CG2-CG2 4.33Å
465	K	96.3	Very high	95.6	Very high	74 Å²	74	46 Å²	46	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.9	168.5	-65.9	-63.3	172.6	-145.4	0	110.6	C473 V474 V505 Y507	K465-C473 CarbonylContact O-C 3.57Å; K465-C473 VanDerWaalsContact O-CA 3.28Å; K465-C473 WeakPolarHBondContact O-CA 3.31Å; K465-C473 WeakPolarHBondContact O-CB 3.36Å; K465-V474 HydrophobicContact CB-CG1 4.04Å; K465-V474 PolarHBondContact N-O 3.01Å; K465-V474 PolarHBondContact O-N 2.98Å; K465-V505 VanDerWaalsContact CG-O 3.27Å; K465-V505 WeakPolarHBondContact CG-O 3.21Å; K465-Y507 HydrophobicContact CB-CD2 4.04Å; K465-Y507 HydrophobicContact CB-CE2 4.38Å
466	I	95.9	Very high	95.7	Very high	28 Å²	28	39.3 Å²	39.3	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.6	179.9	-63.7	166.2	0	0	0	108.2	A421 G422 T423 V430 C473 L487	A421-I466 HydrophobicContact CB-CD1 3.63Å; A421-I466 HydrophobicContact CB-CG1 3.93Å; G422-I466 WeakPolarHBondContact O-CD1 3.44Å; T423-I466 HydrophobicContact CG2-CD1 4.02Å; T423-I466 HydrophobicContact CG2-CG2 4.4Å; V430-I466 HydrophobicContact CB-CD1 4.26Å; V430-I466 HydrophobicContact CG2-CD1 3.79Å; V430-I466 HydrophobicContact CG2-CG1 4.29Å; I466-C473 HydrophobicContact CG1-CB 3.91Å; I466-L487 HydrophobicContact CG2-CD1 4.23Å
467	K	94.4	Very high	95.9	Very high	29 Å²	29	34.8 Å²	34.8	13%	0.126	18%	0.176	C	C	.	.			trans	-70.1	150.6	175.5	-169.1	170	178.2	165.4	0	110.2	N469 D470 E472 Y507 E511	K467-N469 PolarHBondContact O-N 2.99Å; K467-D470 PolarHBondContact O-N 3.22Å; K467-E472 HydrophobicContact CB-CB 4.14Å; K467-E472 WeakPolarHBondContact CB-O 3.28Å; K467-E472 HydrophobicContact CD-CB 4.02Å; K467-E472 HydrophobicContact CD-CG 4.45Å; K467-E472 VanDerWaalsContact CD-OE2 3.24Å; K467-E472 WeakPolarHBondContact CD-OE2 3.38Å; K467-E472 PolarHBondContact N-O 2.9Å; K467-E472 IonicContact NZ-OE2 2.89Å; K467-E472 PolarHBondContact NZ-OE2 2.76Å; K467-Y507 HydrophobicContact CB-CE2 4.37Å; K467-E511 HydrophobicContact CD-CB 4.4Å; K467-E511 WeakPolarHBondContact CE-OE2 3.43Å; K467-E511 HydrophobicContact CG-CB 4.27Å; K467-E511 HydrophobicContact CG-CG 4.28Å; K467-E511 WeakPolarHBondContact CG-OE1 3.36Å; K467-E511 WeakPolarHBondContact CG-OE2 3.18Å
468	S	91.4	Very high	95.8	Very high	51 Å²	51	35.7 Å²	35.7	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.8	-175.6	68.5	0	0	0	0	114.7	R424 E511	R424-S468 WeakPolarHBondContact CD-O 3.45Å; S468-E511 WeakPolarHBondContact CA-OE1 3.38Å; S468-E511 WeakPolarHBondContact CB-OE1 3.22Å; S468-E511 PolarHBondContact N-OE1 2.89Å; S468-E511 PolarHBondContact OG-OE1 2.83Å; S468-E511 PolarHBondContact OG-OE2 3.37Å
469	N	92.1	Very high	95.9	Very high	66 Å²	66	28.8 Å²	28.8	35%	0.353	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.5	177.4	69.1	12.8	0	0	0	114.6	K467 K471	K467-N469 PolarHBondContact O-N 2.99Å; N469-K471 WeakPolarHBondContact O-CG 3.47Å; N469-K471 PolarHBondContact O-N 2.9Å; N469-K471 WeakPolarHBondContact OD1-CB 3.33Å; N469-K471 PolarHBondContact OD1-N 3.37Å
470	D	94	Very high	95.8	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	56.6	14.6	-175.7	-65.6	-30.8	0	0	0	115.7	T423 R424 D425 R428 K467	T423-D470 WeakPolarHBondContact CA-OD1 3.45Å; T423-D470 WeakPolarHBondContact CB-OD1 3.49Å; T423-D470 HydrophobicContact CG2-CB 4.33Å; R424-D470 WeakPolarHBondContact CB-OD2 3.25Å; R424-D470 VanDerWaalsContact N-CG 3.33Å; R424-D470 PolarHBondContact N-OD1 2.98Å; R424-D470 PolarHBondContact N-OD2 2.97Å; R424-D470 VanDerWaalsContact N-OD2 3.16Å; D425-D470 PolarHBondContact N-OD2 3.05Å; R428-D470 PolarHBondContact NH2-O 3.1Å; K467-D470 PolarHBondContact O-N 3.22Å
471	K	94.3	Very high	95.8	Very high	122 Å²	122	26.1 Å²	26.1	53%	0.53	14%	0.138	S	C	.	.	S	Bend	trans	-101	-19.9	-179.7	-65.8	179.1	-174.3	177.7	0	113	N469 L487 V488	N469-K471 WeakPolarHBondContact O-CG 3.47Å; N469-K471 PolarHBondContact O-N 2.9Å; N469-K471 WeakPolarHBondContact OD1-CB 3.33Å; N469-K471 PolarHBondContact OD1-N 3.37Å; K471-L487 PolarHBondContact O-N 2.68Å; K471-V488 HydrophobicContact CB-CG2 4.26Å; K471-V488 HydrophobicContact CG-CG2 4.03Å
472	E	95.3	Very high	95.7	Very high	34 Å²	34	26.1 Å²	26.1	16%	0.159	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.9	-179.1	-60.9	-179	114.4	0	0	111	K467 W485 N493	K467-E472 HydrophobicContact CB-CB 4.14Å; K467-E472 WeakPolarHBondContact CB-O 3.28Å; K467-E472 HydrophobicContact CD-CB 4.02Å; K467-E472 HydrophobicContact CD-CG 4.45Å; K467-E472 VanDerWaalsContact CD-OE2 3.24Å; K467-E472 WeakPolarHBondContact CD-OE2 3.38Å; K467-E472 PolarHBondContact N-O 2.9Å; K467-E472 IonicContact NZ-OE2 2.89Å; K467-E472 PolarHBondContact NZ-OE2 2.76Å; E472-W485 WeakPolarHBondContact CA-O 3.49Å; E472-N493 PolarHBondContact OE1-ND2 3.5Å
473	C	96.5	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155	167	73.8	0	0	0	0	110.8	K465 I466 I484 W485 L487	K465-C473 CarbonylContact O-C 3.57Å; K465-C473 VanDerWaalsContact O-CA 3.28Å; K465-C473 WeakPolarHBondContact O-CA 3.31Å; K465-C473 WeakPolarHBondContact O-CB 3.36Å; I466-C473 HydrophobicContact CG1-CB 3.91Å; C473-I484 WeakPolarHBondContact O-CA 3.42Å; C473-W485 PolarHBondContact N-O 2.82Å; C473-W485 VanDerWaalsContact N-O 3.07Å; C473-W485 PolarHBondContact O-N 3.13Å; C473-L487 HydrophobicContact CB-CD1 4.08Å; C473-L487 HydrophobicContact CB-CD2 4.37Å; C473-L487 HydrophobicContact CB-CG 4.29Å
474	V	97.4	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.3	171.9	65.9	0	0	0	0	109.3	I464 K465 I483 I484 V505 Y507 I514	I464-V474 WeakPolarHBondContact CA-O 3.42Å; K465-V474 HydrophobicContact CB-CG1 4.04Å; K465-V474 PolarHBondContact N-O 3.01Å; K465-V474 PolarHBondContact O-N 2.98Å; V474-I483 CarbonylContact C-O 3.59Å; V474-I483 WeakPolarHBondContact CA-O 3.21Å; V474-I484 HydrophobicContact CG2-CG1 4.14Å; V474-V505 HydrophobicContact CB-CG2 4.38Å; V474-V505 HydrophobicContact CG1-CB 4.41Å; V474-V505 HydrophobicContact CG1-CG1 3.86Å; V474-V505 HydrophobicContact CG1-CG2 3.61Å; V474-V505 HydrophobicContact CG2-CG2 3.81Å; V474-Y507 HydrophobicContact CB-CE2 3.99Å; V474-Y507 HydrophobicContact CG1-CD2 4.01Å; V474-Y507 HydrophobicContact CG1-CE2 3.43Å; V474-Y507 VanDerWaalsContact CG1-CE2 3.43Å; V474-Y507 PolarHBondContact N-OH 3.29Å; V474-I514 HydrophobicContact CG2-CD1 4.08Å
475	T	97.7	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.2	176.7	58.8	0	0	0	0	109.4	V438 H457 V461 S463 I464 C482 I483 W485	V438-T475 HydrophobicContact CG1-CG2 3.97Å; V438-T475 HydrophobicContact CG2-CG2 3.75Å; H457-T475 PolarHBondContact NE2-OG1 2.89Å; V461-T475 HydrophobicContact CG1-CG2 4.49Å; S463-T475 WeakPolarHBondContact O-CA 3.44Å; I464-T475 HydrophobicContact CD1-CG2 4.34Å; I464-T475 HydrophobicContact CG1-CG2 3.91Å; I464-T475 HydrophobicContact CG2-CG2 4.33Å; T475-C482 CarbonylContact O-C 3.55Å; T475-C482 VanDerWaalsContact O-CA 3.25Å; T475-C482 WeakPolarHBondContact O-CA 3.45Å; T475-I483 PolarHBondContact N-O 3.3Å; T475-I483 PolarHBondContact O-N 3Å; T475-I483 PolarHBondContact OG1-O 2.68Å; T475-W485 PolarHBondContact OG1-NE1 3.08Å
476	A	97.3	Very high	95.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.6	172.6	0	0	0	0	0	110	V461 T462 S463 F502 V505	V461-A476 CarbonylContact C-O 3.52Å; V461-A476 WeakPolarHBondContact CA-O 2.99Å; V461-A476 WeakPolarHBondContact CG1-O 3.48Å; T462-A476 PolarHBondContact N-O 2.91Å; T462-A476 PolarHBondContact OG1-O 2.89Å; S463-A476 PolarHBondContact O-N 2.81Å; A476-F502 HydrophobicContact CB-CB 3.92Å; A476-V505 HydrophobicContact CB-CB 4.08Å; A476-V505 HydrophobicContact CB-CG1 3.88Å
477	S	97.4	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.1	-179.5	178.7	0	0	0	0	113.4	H457 A459 T460 D479 G480 A481 F502	H457-S477 VanDerWaalsContact CE1-CB 3.44Å; H457-S477 WeakPolarHBondContact CE1-CB 3.3Å; H457-S477 WeakPolarHBondContact ND1-CB 3.29Å; A459-S477 PolarHBondContact O-OG 2.85Å; A459-S477 VanDerWaalsContact O-OG 3.05Å; T460-S477 VanDerWaalsContact O-CA 3.3Å; T460-S477 WeakPolarHBondContact O-CA 3.04Å; T460-S477 WeakPolarHBondContact O-CB 3.14Å; T460-S477 PolarHBondContact O-OG 2.79Å; S477-D479 VanDerWaalsContact CB-OD1 3.24Å; S477-D479 WeakPolarHBondContact CB-OD1 3.37Å; S477-D479 PolarHBondContact O-N 2.95Å; S477-D479 VanDerWaalsContact O-N 3.12Å; S477-D479 PolarHBondContact OG-N 2.86Å; S477-D479 PolarHBondContact OG-OD1 2.98Å; S477-G480 PolarHBondContact O-N 3.34Å; S477-A481 PolarHBondContact N-O 2.82Å; S477-F502 PolarHBondContact O-N 3.42Å
478	S	96.2	Very high	95.6	Very high	30 Å²	30	23.7 Å²	23.7	21%	0.21	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	7.9	169.9	-57.4	0	0	0	0	113.7	T460 T462 G480 L501	T460-S478 VanDerWaalsContact CG2-OG 3.3Å; T460-S478 WeakPolarHBondContact CG2-OG 3.24Å; T460-S478 PolarHBondContact O-N 3.22Å; T462-S478 WeakPolarHBondContact CG2-OG 3.49Å; S478-G480 VanDerWaalsContact C-N 3.32Å; S478-L501 WeakPolarHBondContact O-CD2 3.23Å
479	D	95.3	Very high	95.8	Very high	48 Å²	48	30.3 Å²	30.3	26%	0.257	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.5	169.6	63.6	6.9	0	0	0	113.1	H457 K458 A459 S477 A481	H457-D479 WeakPolarHBondContact CA-OD2 3.43Å; H457-D479 WeakPolarHBondContact CB-OD2 3.18Å; H457-D479 IonicContact CG-OD2 2.85Å; H457-D479 IonicContact ND1-OD1 3.49Å; H457-D479 PolarHBondContact ND1-OD1 3.37Å; H457-D479 IonicContact ND1-OD2 3.67Å; H457-D479 PolarHBondContact ND1-OD2 3.35Å; K458-D479 HydrophobicContact CB-CB 4.19Å; K458-D479 PolarHBondContact N-OD2 3.2Å; A459-D479 HydrophobicContact CB-CB 3.88Å; S477-D479 VanDerWaalsContact CB-OD1 3.24Å; S477-D479 WeakPolarHBondContact CB-OD1 3.37Å; S477-D479 PolarHBondContact O-N 2.95Å; S477-D479 VanDerWaalsContact O-N 3.12Å; S477-D479 PolarHBondContact OG-N 2.86Å; S477-D479 PolarHBondContact OG-OD1 2.98Å; D479-A481 WeakPolarHBondContact OD1-CA 3.23Å; D479-A481 VanDerWaalsContact OD1-CB 3.3Å; D479-A481 WeakPolarHBondContact OD1-CB 3.26Å; D479-A481 PolarHBondContact OD1-N 3.01Å
480	G	94.6	Very high	95.9	Very high	6 Å²	6	29.6 Å²	29.6	6%	0.062	14%	0.142	C	C	.	.	S	Bend	trans	81.8	15.9	-176.1	0	0	0	0	0	114.5	S477 S478 A498 T500 F502	S477-G480 PolarHBondContact O-N 3.34Å; S478-G480 VanDerWaalsContact C-N 3.32Å; G480-A498 PolarHBondContact O-N 2.85Å; G480-A498 VanDerWaalsContact O-N 3.15Å; G480-T500 WeakPolarHBondContact CA-O 3.5Å; G480-F502 WeakPolarHBondContact O-CE2 3.42Å
481	A	96.1	Very high	96	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.7	169.5	0	0	0	0	0	111.8	H457 S477 D479 I483 M495 V496 L497	H457-A481 PolarHBondContact CE1-O 2.79Å; H457-A481 VanDerWaalsContact CE1-O 3.31Å; S477-A481 PolarHBondContact N-O 2.82Å; D479-A481 WeakPolarHBondContact OD1-CA 3.23Å; D479-A481 VanDerWaalsContact OD1-CB 3.3Å; D479-A481 WeakPolarHBondContact OD1-CB 3.26Å; D479-A481 PolarHBondContact OD1-N 3.01Å; A481-I483 HydrophobicContact CB-CG1 4.23Å; A481-M495 HydrophobicContact CB-CG 4.38Å; A481-V496 CarbonylContact C-O 3.57Å; A481-V496 WeakPolarHBondContact CA-O 3.32Å; A481-L497 HydrophobicContact CB-CD2 3.7Å
482	C	96.3	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.7	158.4	-80.8	0	0	0	0	107.6	T475 V496 F502 T516	T475-C482 CarbonylContact O-C 3.55Å; T475-C482 VanDerWaalsContact O-CA 3.25Å; T475-C482 WeakPolarHBondContact O-CA 3.45Å; C482-V496 HydrophobicContact CB-CB 4.06Å; C482-V496 PolarHBondContact N-O 3.06Å; C482-V496 PolarHBondContact O-N 2.92Å; C482-F502 HydrophobicContact CB-CD2 4.35Å; C482-F502 HydrophobicContact CB-CE2 4.23Å; C482-F502 WeakPolarHBondContact SG-CD2 3.24Å; C482-F502 WeakPolarHBondContact SG-CG 3.22Å; C482-T516 HydrophobicContact CB-CG2 4.44Å
483	I	97	Very high	95.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	-174.1	-57.6	178.7	0	0	0	109.7	E456 H457 V474 T475 A481 W485 R492 M495	E456-I483 HydrophobicContact CB-CD1 3.6Å; H457-I483 VanDerWaalsContact CE1-CD1 3.46Å; H457-I483 WeakPolarHBondContact CE1-CD1 3.34Å; H457-I483 VanDerWaalsContact CE1-CG1 3.48Å; H457-I483 WeakPolarHBondContact CE1-CG1 3.45Å; V474-I483 CarbonylContact C-O 3.59Å; V474-I483 WeakPolarHBondContact CA-O 3.21Å; T475-I483 PolarHBondContact N-O 3.3Å; T475-I483 PolarHBondContact O-N 3Å; T475-I483 PolarHBondContact OG1-O 2.68Å; A481-I483 HydrophobicContact CB-CG1 4.23Å; I483-W485 HydrophobicContact CB-CZ2 4.01Å; I483-W485 HydrophobicContact CD1-CH2 4.47Å; I483-W485 HydrophobicContact CD1-CZ2 3.88Å; I483-W485 HydrophobicContact CG2-CD2 3.79Å; I483-W485 HydrophobicContact CG2-CE3 4.31Å; I483-W485 HydrophobicContact CG2-CG 4.28Å; I483-W485 HydrophobicContact CG2-CH2 4.15Å; I483-W485 HydrophobicContact CG2-CZ2 3.56Å; I483-W485 HydrophobicContact CG2-CZ3 4.47Å; I483-R492 HydrophobicContact CG2-CB 4.23Å; I483-R492 HydrophobicContact CG2-CG 3.57Å; I483-M495 HydrophobicContact CG1-CG 4.2Å
484	I	97	Very high	95.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.4	173.1	-53.2	-179.8	0	0	0	108	C473 V474 N493 Q494 I514 V528	C473-I484 WeakPolarHBondContact O-CA 3.42Å; V474-I484 HydrophobicContact CG2-CG1 4.14Å; I484-N493 PolarHBondContact O-N 2.74Å; I484-Q494 HydrophobicContact CB-CB 4.26Å; I484-Q494 HydrophobicContact CD1-CB 4.24Å; I484-Q494 HydrophobicContact CG1-CB 4.44Å; I484-Q494 PolarHBondContact N-O 2.82Å; I484-Q494 PolarHBondContact O-N 3.16Å; I484-I514 HydrophobicContact CD1-CD1 4.31Å; I484-V528 HydrophobicContact CD1-CB 4.37Å; I484-V528 HydrophobicContact CD1-CG1 4.12Å; I484-V528 HydrophobicContact CD1-CG2 4.45Å
485	W	96.9	Very high	95.7	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.6	-174.5	-57.5	94.3	0	0	0	111.7	M454 E456 E472 C473 T475 I483 R492	M454-W485 HydrophobicContact CB-CE3 4.04Å; M454-W485 HydrophobicContact CB-CH2 3.69Å; M454-W485 HydrophobicContact CB-CZ2 4.21Å; M454-W485 HydrophobicContact CB-CZ3 3.62Å; M454-W485 HydrophobicContact CE-CD2 4.22Å; M454-W485 HydrophobicContact CE-CE3 4.49Å; M454-W485 HydrophobicContact CE-CG 4.26Å; M454-W485 HydrophobicContact CG-CE3 4.06Å; M454-W485 HydrophobicContact CG-CZ3 4.02Å; M454-W485 HydrophobicContact SD-CB 4.16Å; M454-W485 HydrophobicContact SD-CD2 3.73Å; M454-W485 HydrophobicContact SD-CE3 3.45Å; M454-W485 HydrophobicContact SD-CG 4.07Å; M454-W485 HydrophobicContact SD-CZ3 4.04Å; E456-W485 HydrophobicContact CB-CH2 3.57Å; E456-W485 HydrophobicContact CB-CZ2 4.09Å; E456-W485 HydrophobicContact CG-CH2 3.39Å; E456-W485 HydrophobicContact CG-CZ2 4.35Å; E456-W485 HydrophobicContact CG-CZ3 3.98Å; E472-W485 WeakPolarHBondContact CA-O 3.49Å; C473-W485 PolarHBondContact N-O 2.82Å; C473-W485 VanDerWaalsContact N-O 3.07Å; C473-W485 PolarHBondContact O-N 3.13Å; T475-W485 PolarHBondContact OG1-NE1 3.08Å; I483-W485 HydrophobicContact CB-CZ2 4.01Å; I483-W485 HydrophobicContact CD1-CH2 4.47Å; I483-W485 HydrophobicContact CD1-CZ2 3.88Å; I483-W485 HydrophobicContact CG2-CD2 3.79Å; I483-W485 HydrophobicContact CG2-CE3 4.31Å; I483-W485 HydrophobicContact CG2-CG 4.28Å; I483-W485 HydrophobicContact CG2-CH2 4.15Å; I483-W485 HydrophobicContact CG2-CZ2 3.56Å; I483-W485 HydrophobicContact CG2-CZ3 4.47Å; W485-R492 HydrophobicContact CE3-CB 4.18Å; W485-R492 HydrophobicContact CZ3-CB 4.04Å
486	D	96.2	Very high	95.5	Very high	20 Å²	20	39 Å²	39	11%	0.107	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117	164.2	-176.4	-24.4	0	0	0	109.3	V488 R489 F490 V491	D486-V488 VanDerWaalsContact C-N 3.3Å; D486-V488 PolarHBondContact O-N 3.35Å; D486-V488 WeakPolarHBondContact OD1-CA 3.41Å; D486-V488 VanDerWaalsContact OD1-CB 3.27Å; D486-V488 WeakPolarHBondContact OD1-CB 3.47Å; D486-V488 PolarHBondContact OD1-N 3.36Å; D486-R489 HydrophobicContact CB-CB 4.35Å; D486-R489 PolarHBondContact OD1-N 3Å; D486-R489 WeakPolarHBondContact OD2-CD 3.06Å; D486-R489 WeakPolarHBondContact OD2-CG 3.46Å; D486-F490 WeakPolarHBondContact O-CA 3.48Å; D486-F490 PolarHBondContact O-N 3.32Å; D486-V491 HydrophobicContact CB-CG2 4.22Å; D486-V491 PolarHBondContact N-O 3.34Å
487	L	94.9	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.4	178.8	-66.9	178.7	0	0	0	114	R428 V430 V440 I466 K471 C473 F490	R428-L487 PolarHBondContact NH1-O 2.77Å; V430-L487 HydrophobicContact CG2-CD1 4.35Å; V430-L487 HydrophobicContact CG2-CD2 3.97Å; V440-L487 HydrophobicContact CG2-CD2 3.92Å; I466-L487 HydrophobicContact CG2-CD1 4.23Å; K471-L487 PolarHBondContact O-N 2.68Å; C473-L487 HydrophobicContact CB-CD1 4.08Å; C473-L487 HydrophobicContact CB-CD2 4.37Å; C473-L487 HydrophobicContact CB-CG 4.29Å; L487-F490 VanDerWaalsContact O-CE1 3.28Å; L487-F490 WeakPolarHBondContact O-CE1 3.37Å; L487-F490 WeakPolarHBondContact O-CZ 3.35Å
488	V	94.4	Very high	95	Very high	90 Å²	90	45.5 Å²	45.5	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-43.3	172.9	-175.4	0	0	0	0	109.9	K471 D486	K471-V488 HydrophobicContact CB-CG2 4.26Å; K471-V488 HydrophobicContact CG-CG2 4.03Å; D486-V488 VanDerWaalsContact C-N 3.3Å; D486-V488 PolarHBondContact O-N 3.35Å; D486-V488 WeakPolarHBondContact OD1-CA 3.41Å; D486-V488 VanDerWaalsContact OD1-CB 3.27Å; D486-V488 WeakPolarHBondContact OD1-CB 3.47Å; D486-V488 PolarHBondContact OD1-N 3.36Å
489	R	94.3	Very high	94.8	Very high	189 Å²	189	52.2 Å²	52.2	71%	0.713	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-14.3	-178.1	-63.9	179.4	-178.6	177.9	1.5	114	D486 V491	D486-R489 HydrophobicContact CB-CB 4.35Å; D486-R489 PolarHBondContact OD1-N 3Å; D486-R489 WeakPolarHBondContact OD2-CD 3.06Å; D486-R489 WeakPolarHBondContact OD2-CG 3.46Å; R489-V491 VanDerWaalsContact C-N 3.26Å; R489-V491 HydrophobicContact CB-CG1 4.48Å; R489-V491 HydrophobicContact CB-CG2 3.88Å; R489-V491 PolarHBondContact O-N 3.03Å
490	F	95.3	Very high	94.7	Very high	51 Å²	51	50.4 Å²	50.4	22%	0.224	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	38.1	-176.9	-49.8	-74.2	0	0	0	113.2	V440 I451 E452 M454 D486 L487	V440-F490 HydrophobicContact CB-CE1 4.12Å; V440-F490 HydrophobicContact CG1-CE1 4.2Å; V440-F490 HydrophobicContact CG2-CD1 4.13Å; V440-F490 HydrophobicContact CG2-CE1 4.02Å; I451-F490 HydrophobicContact CB-CZ 4.44Å; I451-F490 HydrophobicContact CG2-CE1 3.98Å; I451-F490 HydrophobicContact CG2-CE2 3.76Å; I451-F490 HydrophobicContact CG2-CZ 3.35Å; E452-F490 HydrophobicContact CB-CB 3.99Å; E452-F490 HydrophobicContact CB-CD1 3.71Å; E452-F490 HydrophobicContact CB-CD2 4.1Å; E452-F490 HydrophobicContact CB-CE1 4.23Å; E452-F490 HydrophobicContact CB-CG 3.64Å; E452-F490 HydrophobicContact CG-CB 3.9Å; E452-F490 HydrophobicContact CG-CD1 4.09Å; E452-F490 HydrophobicContact CG-CD2 3.52Å; E452-F490 HydrophobicContact CG-CE2 4.04Å; E452-F490 HydrophobicContact CG-CG 3.54Å; M454-F490 HydrophobicContact CG-CB 4.49Å; M454-F490 HydrophobicContact SD-CB 4.44Å; D486-F490 WeakPolarHBondContact O-CA 3.48Å; D486-F490 PolarHBondContact O-N 3.32Å; L487-F490 VanDerWaalsContact O-CE1 3.28Å; L487-F490 WeakPolarHBondContact O-CE1 3.37Å; L487-F490 WeakPolarHBondContact O-CZ 3.35Å
491	V	94.8	Very high	94.8	Very high	71 Å²	71	54.1 Å²	54.1	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.3	177.5	-61.3	0	0	0	0	110.6	D486 R489 N493	D486-V491 HydrophobicContact CB-CG2 4.22Å; D486-V491 PolarHBondContact N-O 3.34Å; R489-V491 VanDerWaalsContact C-N 3.26Å; R489-V491 HydrophobicContact CB-CG1 4.48Å; R489-V491 HydrophobicContact CB-CG2 3.88Å; R489-V491 PolarHBondContact O-N 3.03Å; V491-N493 PolarHBondContact O-N 3.25Å
492	R	95.4	Very high	94.8	Very high	102 Å²	102	54 Å²	54	39%	0.385	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.1	170.1	177.6	176	83.6	-156.3	-12.2	109.9	E456 I483 W485 Q494	E456-R492 IonicContact OE2-CZ 2.72Å; E456-R492 IonicContact OE2-NH1 3.83Å; E456-R492 PolarHBondContact OE2-NH1 3.3Å; I483-R492 HydrophobicContact CG2-CB 4.23Å; I483-R492 HydrophobicContact CG2-CG 3.57Å; W485-R492 HydrophobicContact CE3-CB 4.18Å; W485-R492 HydrophobicContact CZ3-CB 4.04Å; R492-Q494 WeakPolarHBondContact CG-O 3.41Å
493	N	94	Very high	94.8	Very high	61 Å²	61	59.7 Å²	59.7	33%	0.326	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-57	169.1	-75	-9.1	0	0	0	110	E472 I484 V491	E472-N493 PolarHBondContact OE1-ND2 3.5Å; I484-N493 PolarHBondContact O-N 2.74Å; V491-N493 PolarHBondContact O-N 3.25Å
494	Q	94.2	Very high	94.7	Very high	63 Å²	63	60 Å²	60	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.3	-177	-62	-58.4	-10.9	0	0	112.4	I484 R492 Y529	I484-Q494 HydrophobicContact CB-CB 4.26Å; I484-Q494 HydrophobicContact CD1-CB 4.24Å; I484-Q494 HydrophobicContact CG1-CB 4.44Å; I484-Q494 PolarHBondContact N-O 2.82Å; I484-Q494 PolarHBondContact O-N 3.16Å; R492-Q494 WeakPolarHBondContact CG-O 3.41Å; Q494-Y529 PolarHBondContact NE2-O 2.83Å
495	M	94.1	Very high	94.7	Very high	72 Å²	72	60 Å²	60	36%	0.355	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.6	175.9	-171.5	170.4	60.2	0	0	110	A481 I483 L497	A481-M495 HydrophobicContact CB-CG 4.38Å; I483-M495 HydrophobicContact CG1-CG 4.2Å; M495-L497 HydrophobicContact CE-CD1 3.83Å; M495-L497 HydrophobicContact CE-CD2 4.32Å; M495-L497 HydrophobicContact CE-CG 4.12Å; M495-L497 HydrophobicContact CG-CD2 4.11Å; M495-L497 HydrophobicContact CG-CG 4.16Å; M495-L497 HydrophobicContact SD-CD2 4.06Å; M495-L497 HydrophobicContact SD-CG 4.39Å
496	V	94.4	Very high	94.7	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.3	171.9	171.6	0	0	0	0	108	A481 C482 F502 W526	A481-V496 CarbonylContact C-O 3.57Å; A481-V496 WeakPolarHBondContact CA-O 3.32Å; C482-V496 HydrophobicContact CB-CB 4.06Å; C482-V496 PolarHBondContact N-O 3.06Å; C482-V496 PolarHBondContact O-N 2.92Å; V496-F502 HydrophobicContact CG1-CZ 4.38Å; V496-W526 HydrophobicContact CB-CD2 4.44Å; V496-W526 HydrophobicContact CB-CE3 4.4Å; V496-W526 HydrophobicContact CG1-CD2 3.36Å; V496-W526 VanDerWaalsContact CG1-CE2 3.48Å; V496-W526 HydrophobicContact CG1-CE3 3.39Å; V496-W526 HydrophobicContact CG1-CG 4.02Å; V496-W526 HydrophobicContact CG1-CH2 3.69Å; V496-W526 HydrophobicContact CG1-CZ2 3.66Å; V496-W526 HydrophobicContact CG1-CZ3 3.54Å; V496-W526 HydrophobicContact CG2-CB 4.26Å; V496-W526 HydrophobicContact CG2-CD2 4.23Å; V496-W526 HydrophobicContact CG2-CE3 4.16Å; V496-W526 HydrophobicContact CG2-CG 4.26Å
497	L	93.4	Very high	94.7	Very high	110 Å²	110	60 Å²	60	58%	0.576	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	177.7	-66.9	174.4	0	0	0	109.8	A481 M495	A481-L497 HydrophobicContact CB-CD2 3.7Å; M495-L497 HydrophobicContact CE-CD1 3.83Å; M495-L497 HydrophobicContact CE-CD2 4.32Å; M495-L497 HydrophobicContact CE-CG 4.12Å; M495-L497 HydrophobicContact CG-CD2 4.11Å; M495-L497 HydrophobicContact CG-CG 4.16Å; M495-L497 HydrophobicContact SD-CD2 4.06Å; M495-L497 HydrophobicContact SD-CG 4.39Å
498	A	91.3	Very high	94.7	Very high	27 Å²	27	61.2 Å²	61.2	22%	0.223	30%	0.298	C	S	.	.			trans	-140.5	157.1	171.8	0	0	0	0	0	110.1	G480 T500 F502 W526	G480-A498 PolarHBondContact O-N 2.85Å; G480-A498 VanDerWaalsContact O-N 3.15Å; A498-T500 HydrophobicContact CB-CG2 4Å; A498-T500 PolarHBondContact O-N 3.15Å; A498-F502 HydrophobicContact CB-CE1 4.35Å; A498-F502 HydrophobicContact CB-CE2 4.16Å; A498-F502 HydrophobicContact CB-CZ 3.57Å; A498-W526 HydrophobicContact CB-CH2 4.32Å; A498-W526 HydrophobicContact CB-CZ2 4.31Å
499	N	91.4	Very high	94.6	Very high	171 Å²	171	59 Å²	59	91%	0.914	29%	0.285	S	S	*	.	S	Bend	trans	-81.5	61.9	179.1	-169.5	29.8	0	0	0	111.2
500	T	93.7	Very high	94.6	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-150	161.3	-177.2	-168.6	0	0	0	0	109.9	G480 A498 F502 T519 D520	G480-T500 WeakPolarHBondContact CA-O 3.5Å; A498-T500 HydrophobicContact CB-CG2 4Å; A498-T500 PolarHBondContact O-N 3.15Å; T500-F502 HydrophobicContact CG2-CD1 3.72Å; T500-F502 HydrophobicContact CG2-CD2 4.27Å; T500-F502 HydrophobicContact CG2-CE1 3.63Å; T500-F502 HydrophobicContact CG2-CE2 4.2Å; T500-F502 HydrophobicContact CG2-CG 4.06Å; T500-F502 HydrophobicContact CG2-CZ 3.9Å; T500-T519 PolarHBondContact OG1-N 2.97Å; T500-D520 WeakPolarHBondContact CB-OD1 3.47Å; T500-D520 WeakPolarHBondContact CB-OD2 3.44Å; T500-D520 WeakPolarHBondContact OG1-CB 3.33Å; T500-D520 PolarHBondContact OG1-N 3.44Å; T500-D520 PolarHBondContact OG1-OD1 2.87Å
501	L	95.8	Very high	94.4	Very high	84 Å²	84	54.8 Å²	54.8	44%	0.44	27%	0.274	S	S	.	.			trans	-93.1	105.9	165.2	-47.4	177.8	0	0	0	106	S478 R503 G518 T519	S478-L501 WeakPolarHBondContact O-CD2 3.23Å; L501-R503 PolarHBondContact O-N 3.4Å; L501-G518 WeakPolarHBondContact O-CA 3.33Å; L501-T519 HydrophobicContact CB-CG2 3.9Å; L501-T519 HydrophobicContact CD1-CG2 4.19Å; L501-T519 HydrophobicContact CG-CG2 4.32Å; L501-T519 PolarHBondContact N-OG1 2.93Å; L501-T519 VanDerWaalsContact N-OG1 3.13Å; L501-T519 PolarHBondContact O-N 2.73Å
502	F	96.6	Very high	94.4	Very high	4 Å²	4	59 Å²	59	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138	179.1	-70.4	-68.2	0	0	0	109.7	T462 A476 S477 G480 C482 V496 A498 T500 T516	T462-F502 WeakPolarHBondContact CG2-O 3.09Å; T462-F502 PolarHBondContact OG1-O 3.32Å; A476-F502 HydrophobicContact CB-CB 3.92Å; S477-F502 PolarHBondContact O-N 3.42Å; G480-F502 WeakPolarHBondContact O-CE2 3.42Å; C482-F502 HydrophobicContact CB-CD2 4.35Å; C482-F502 HydrophobicContact CB-CE2 4.23Å; C482-F502 WeakPolarHBondContact SG-CD2 3.24Å; C482-F502 WeakPolarHBondContact SG-CG 3.22Å; V496-F502 HydrophobicContact CG1-CZ 4.38Å; A498-F502 HydrophobicContact CB-CE1 4.35Å; A498-F502 HydrophobicContact CB-CE2 4.16Å; A498-F502 HydrophobicContact CB-CZ 3.57Å; T500-F502 HydrophobicContact CG2-CD1 3.72Å; T500-F502 HydrophobicContact CG2-CD2 4.27Å; T500-F502 HydrophobicContact CG2-CE1 3.63Å; T500-F502 HydrophobicContact CG2-CE2 4.2Å; T500-F502 HydrophobicContact CG2-CG 4.06Å; T500-F502 HydrophobicContact CG2-CZ 3.9Å; F502-T516 HydrophobicContact CD1-CG2 4.35Å; F502-T516 HydrophobicContact CE1-CG2 4.12Å; F502-T516 WeakPolarHBondContact CE1-OG1 3.45Å
503	R	95.9	Very high	94.4	Very high	118 Å²	118	56.7 Å²	56.7	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-44.5	-175.3	-161.7	53.9	169	172.4	4.6	112.2	T462 L501 S517 I545 N546	T462-R503 VanDerWaalsContact CB-O 3.31Å; T462-R503 WeakPolarHBondContact CB-O 3.38Å; T462-R503 WeakPolarHBondContact OG1-CA 3.28Å; T462-R503 PolarHBondContact OG1-O 3.06Å; L501-R503 PolarHBondContact O-N 3.4Å; R503-S517 PolarHBondContact N-O 2.8Å; R503-I545 WeakPolarHBondContact CB-O 3.31Å; R503-N546 HydrophobicContact CG-CB 4.16Å
504	S	95.6	Very high	94.5	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.5	174.7	-172.6	0	0	0	0	112.3	T516 S517	S504-T516 WeakPolarHBondContact O-CA 3.46Å; S504-S517 WeakPolarHBondContact CB-OG 3.12Å; S504-S517 PolarHBondContact N-O 2.93Å; S504-S517 PolarHBondContact O-N 2.73Å; S504-S517 PolarHBondContact O-OG 3.01Å
505	V	97	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.8	176.3	61.2	0	0	0	0	110.2	K465 V474 A476 I514 I515 T516	K465-V505 VanDerWaalsContact CG-O 3.27Å; K465-V505 WeakPolarHBondContact CG-O 3.21Å; V474-V505 HydrophobicContact CB-CG2 4.38Å; V474-V505 HydrophobicContact CG1-CB 4.41Å; V474-V505 HydrophobicContact CG1-CG1 3.86Å; V474-V505 HydrophobicContact CG1-CG2 3.61Å; V474-V505 HydrophobicContact CG2-CG2 3.81Å; A476-V505 HydrophobicContact CB-CB 4.08Å; A476-V505 HydrophobicContact CB-CG1 3.88Å; V505-I514 HydrophobicContact CG2-CB 4.48Å; V505-I515 WeakPolarHBondContact CA-O 3.34Å; V505-T516 HydrophobicContact CG2-CG2 4.06Å
506	C	96	Very high	94.8	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.7	175	-65.8	0	0	0	0	110.6	I514 I515 M548	C506-I514 VanDerWaalsContact O-CA 3.29Å; C506-I514 WeakPolarHBondContact O-CA 3.43Å; C506-I515 HydrophobicContact CB-CD1 4.27Å; C506-I515 HydrophobicContact CB-CG1 3.83Å; C506-I515 PolarHBondContact N-O 2.9Å; C506-I515 PolarHBondContact O-N 2.81Å; C506-M548 PolarHBondContact SG-O 3.37Å; C506-M548 VanDerWaalsContact SG-O 3.34Å
507	Y	96	Very high	94.9	Very high	21 Å²	21	47.5 Å²	47.5	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.4	165.3	-80.7	-74.2	0	0	0	110.1	K465 K467 V474 I514 V528 I550	K465-Y507 HydrophobicContact CB-CD2 4.04Å; K465-Y507 HydrophobicContact CB-CE2 4.38Å; K467-Y507 HydrophobicContact CB-CE2 4.37Å; V474-Y507 HydrophobicContact CB-CE2 3.99Å; V474-Y507 HydrophobicContact CG1-CD2 4.01Å; V474-Y507 HydrophobicContact CG1-CE2 3.43Å; V474-Y507 VanDerWaalsContact CG1-CE2 3.43Å; V474-Y507 PolarHBondContact N-OH 3.29Å; Y507-I514 HydrophobicContact CD1-CG2 3.31Å; Y507-I514 HydrophobicContact CE1-CG2 3.43Å; Y507-I514 VanDerWaalsContact CE1-CG2 3.43Å; Y507-I514 HydrophobicContact CG-CG2 4Å; Y507-V528 HydrophobicContact CD1-CG2 4.27Å; Y507-V528 HydrophobicContact CE1-CG2 3.91Å; Y507-I550 WeakPolarHBondContact O-CG2 3.44Å
508	H	96	Very high	94.9	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.125	20%	0.204	C	C	.	.			trans	-63.5	146.2	160	-171.3	-94.6	0	0	0	109.7	E510 E511 Q513 G554 Y571	H508-E510 WeakPolarHBondContact ND1-CB 3.46Å; H508-E510 PolarHBondContact ND1-N 3.35Å; H508-E510 VanDerWaalsContact ND1-N 3.18Å; H508-E510 PolarHBondContact O-N 2.89Å; H508-E510 VanDerWaalsContact O-N 3.16Å; H508-E511 VanDerWaalsContact O-CA 3.3Å; H508-E511 WeakPolarHBondContact O-CA 3.43Å; H508-E511 PolarHBondContact O-N 3.44Å; H508-Q513 HydrophobicContact CB-CB 4.2Å; H508-Q513 WeakPolarHBondContact CB-O 3.31Å; H508-Q513 PolarHBondContact N-O 3.22Å; H508-G554 PolarHBondContact NE2-O 3.13Å; H508-Y571 AromaticContact CD2-CD1 3.88Å; H508-Y571 AromaticContact CD2-CE1 3.47Å; H508-Y571 VanDerWaalsContact CD2-CE1 3.47Å; H508-Y571 WeakPolarHBondContact CD2-CE1 3.28Å; H508-Y571 AromaticContact CD2-CE2 3.64Å; H508-Y571 AromaticContact CD2-CZ 3.33Å; H508-Y571 AromaticContact NE2-CD1 3.96Å; H508-Y571 AromaticContact NE2-CE1 3.86Å
509	P	92.4	Very high	95.1	Very high	43 Å²	43	44.2 Å²	44.2	28%	0.279	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.1	178.9	-30.5	38.7	0	0	0	115	E511 S551 Q552	P509-E511 VanDerWaalsContact C-N 3.27Å; P509-E511 WeakPolarHBondContact O-CG 2.96Å; P509-S551 WeakPolarHBondContact CG-O 3.3Å; P509-Q552 WeakPolarHBondContact CG-O 3.35Å
510	E	92.7	Very high	95.2	Very high	121 Å²	121	38.3 Å²	38.3	57%	0.565	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.4	172.3	-60.2	-63.8	144.2	0	0	113.8	H508 Y512	H508-E510 WeakPolarHBondContact ND1-CB 3.46Å; H508-E510 PolarHBondContact ND1-N 3.35Å; H508-E510 VanDerWaalsContact ND1-N 3.18Å; H508-E510 PolarHBondContact O-N 2.89Å; H508-E510 VanDerWaalsContact O-N 3.16Å; E510-Y512 HydrophobicContact CB-CD2 3.72Å; E510-Y512 HydrophobicContact CB-CE2 3.95Å; E510-Y512 WeakPolarHBondContact O-CD2 3.24Å; E510-Y512 VanDerWaalsContact O-CE2 3.24Å; E510-Y512 WeakPolarHBondContact O-CE2 3.43Å; E510-Y512 PolarHBondContact O-N 2.8Å
511	E	92.8	Very high	95.2	Very high	31 Å²	31	43.6 Å²	43.6	15%	0.145	20%	0.201	C	C	.	.	S	Bend	trans	63.4	8	172.3	-40.5	-172.2	139.4	0	0	117.5	K467 S468 H508 P509	K467-E511 HydrophobicContact CD-CB 4.4Å; K467-E511 WeakPolarHBondContact CE-OE2 3.43Å; K467-E511 HydrophobicContact CG-CB 4.27Å; K467-E511 HydrophobicContact CG-CG 4.28Å; K467-E511 WeakPolarHBondContact CG-OE1 3.36Å; K467-E511 WeakPolarHBondContact CG-OE2 3.18Å; S468-E511 WeakPolarHBondContact CA-OE1 3.38Å; S468-E511 WeakPolarHBondContact CB-OE1 3.22Å; S468-E511 PolarHBondContact N-OE1 2.89Å; S468-E511 PolarHBondContact OG-OE1 2.83Å; S468-E511 PolarHBondContact OG-OE2 3.37Å; H508-E511 VanDerWaalsContact O-CA 3.3Å; H508-E511 WeakPolarHBondContact O-CA 3.43Å; H508-E511 PolarHBondContact O-N 3.44Å; P509-E511 VanDerWaalsContact C-N 3.27Å; P509-E511 WeakPolarHBondContact O-CG 2.96Å
512	Y	93.5	Very high	95.1	Very high	160 Å²	160	43 Å²	43	63%	0.627	20%	0.195	S	C	*	.	S	Bend	trans	-81.3	-22.3	171.4	-54.9	-65.8	0	0	0	112.7	E510 V528	E510-Y512 HydrophobicContact CB-CD2 3.72Å; E510-Y512 HydrophobicContact CB-CE2 3.95Å; E510-Y512 WeakPolarHBondContact O-CD2 3.24Å; E510-Y512 VanDerWaalsContact O-CE2 3.24Å; E510-Y512 WeakPolarHBondContact O-CE2 3.43Å; E510-Y512 PolarHBondContact O-N 2.8Å; Y512-V528 WeakPolarHBondContact O-CB 3.46Å; Y512-V528 WeakPolarHBondContact O-CG2 3.47Å; Y512-V528 PolarHBondContact O-N 3.35Å
513	Q	95.6	Very high	95.1	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	-174.9	-63.4	179.2	-6.9	0	0	111.3	H508 W526 I534 Y571	H508-Q513 HydrophobicContact CB-CB 4.2Å; H508-Q513 WeakPolarHBondContact CB-O 3.31Å; H508-Q513 PolarHBondContact N-O 3.22Å; Q513-W526 CarbonylContact C-O 3.59Å; Q513-W526 VanDerWaalsContact CA-O 3.29Å; Q513-W526 WeakPolarHBondContact CA-O 3.32Å; Q513-I534 HydrophobicContact CG-CD1 3.71Å; Q513-Y571 WeakPolarHBondContact CB-OH 3.31Å; Q513-Y571 PolarHBondContact OE1-OH 2.95Å
514	I	96.5	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.8	167.7	58	173.1	0	0	0	110	V474 I484 V505 C506 Y507 W526 V528	V474-I514 HydrophobicContact CG2-CD1 4.08Å; I484-I514 HydrophobicContact CD1-CD1 4.31Å; V505-I514 HydrophobicContact CG2-CB 4.48Å; C506-I514 VanDerWaalsContact O-CA 3.29Å; C506-I514 WeakPolarHBondContact O-CA 3.43Å; Y507-I514 HydrophobicContact CD1-CG2 3.31Å; Y507-I514 HydrophobicContact CE1-CG2 3.43Å; Y507-I514 VanDerWaalsContact CE1-CG2 3.43Å; Y507-I514 HydrophobicContact CG-CG2 4Å; I514-W526 HydrophobicContact CD1-CB 4.24Å; I514-W526 HydrophobicContact CG1-CB 3.75Å; I514-W526 HydrophobicContact CG1-CG 4.34Å; I514-W526 PolarHBondContact N-O 3.34Å; I514-W526 PolarHBondContact O-N 3.5Å; I514-V528 HydrophobicContact CG2-CG2 3.77Å
515	I	97.1	Very high	95.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.1	168.1	55.3	175.4	0	0	0	109.7	V505 C506 G524 Y525 M548 I550 F557 Y571	V505-I515 WeakPolarHBondContact CA-O 3.34Å; C506-I515 HydrophobicContact CB-CD1 4.27Å; C506-I515 HydrophobicContact CB-CG1 3.83Å; C506-I515 PolarHBondContact N-O 2.9Å; C506-I515 PolarHBondContact O-N 2.81Å; I515-G524 CarbonylContact C-O 3.54Å; I515-G524 VanDerWaalsContact CA-O 3.3Å; I515-G524 WeakPolarHBondContact CA-O 3.45Å; I515-Y525 HydrophobicContact CG2-CD1 3.74Å; I515-Y525 HydrophobicContact CG2-CD2 4.13Å; I515-Y525 HydrophobicContact CG2-CE1 3.65Å; I515-Y525 HydrophobicContact CG2-CE2 4.02Å; I515-Y525 HydrophobicContact CG2-CG 3.96Å; I515-M548 HydrophobicContact CB-CE 4.04Å; I515-M548 HydrophobicContact CB-SD 4.32Å; I515-M548 HydrophobicContact CD1-CE 3.99Å; I515-M548 HydrophobicContact CD1-CG 4.16Å; I515-M548 HydrophobicContact CD1-SD 3.59Å; I515-M548 VanDerWaalsContact CD1-SD 3.59Å; I515-M548 HydrophobicContact CG1-CE 3.64Å; I515-M548 HydrophobicContact CG1-SD 3.92Å; I515-M548 VanDerWaalsContact O-CE 3.3Å; I515-M548 WeakPolarHBondContact O-CE 3.34Å; I515-I550 HydrophobicContact CD1-CD1 4.36Å; I515-F557 HydrophobicContact CD1-CB 3.95Å; I515-F557 HydrophobicContact CD1-CD2 4.05Å; I515-F557 HydrophobicContact CD1-CG 3.95Å; I515-Y571 HydrophobicContact CG2-CE2 3.72Å
516	T	97	Very high	95.2	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.8	-179.8	61.7	0	0	0	0	110.6	C482 F502 S504 V505 I523 G524 W526	C482-T516 HydrophobicContact CB-CG2 4.44Å; F502-T516 HydrophobicContact CD1-CG2 4.35Å; F502-T516 HydrophobicContact CE1-CG2 4.12Å; F502-T516 WeakPolarHBondContact CE1-OG1 3.45Å; S504-T516 WeakPolarHBondContact O-CA 3.46Å; V505-T516 HydrophobicContact CG2-CG2 4.06Å; T516-I523 WeakPolarHBondContact O-CA 3.29Å; T516-G524 PolarHBondContact N-O 2.91Å; T516-G524 PolarHBondContact O-N 2.79Å; T516-G524 PolarHBondContact OG1-O 2.92Å; T516-W526 PolarHBondContact OG1-NE1 3.15Å
517	S	96	Very high	95.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.3	175.8	59.6	0	0	0	0	110.8	R503 S504	R503-S517 PolarHBondContact N-O 2.8Å; S504-S517 WeakPolarHBondContact CB-OG 3.12Å; S504-S517 PolarHBondContact N-O 2.93Å; S504-S517 PolarHBondContact O-N 2.73Å; S504-S517 PolarHBondContact O-OG 3.01Å
518	G	94	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-162.2	-176.9	0	0	0	0	0	115.1	L501 D520 R521 I545	L501-G518 WeakPolarHBondContact O-CA 3.33Å; G518-D520 VanDerWaalsContact C-N 3.33Å; G518-R521 PolarHBondContact O-N 3.25Å; G518-I545 PolarHBondContact O-N 3.33Å; G518-I545 VanDerWaalsContact O-N 3.12Å
519	T	95.4	Very high	94.9	Very high	68 Å²	68	49 Å²	49	42%	0.417	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.7	-177.1	55.2	0	0	0	0	114.6	T500 L501 R521 A544	T500-T519 PolarHBondContact OG1-N 2.97Å; L501-T519 HydrophobicContact CB-CG2 3.9Å; L501-T519 HydrophobicContact CD1-CG2 4.19Å; L501-T519 HydrophobicContact CG-CG2 4.32Å; L501-T519 PolarHBondContact N-OG1 2.93Å; L501-T519 VanDerWaalsContact N-OG1 3.13Å; L501-T519 PolarHBondContact O-N 2.73Å; T519-R521 PolarHBondContact O-N 2.72Å; T519-A544 HydrophobicContact CG2-CB 4.05Å
520	D	93.4	Very high	94.8	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.251	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-3	173.6	65.3	-22.5	0	0	0	113.6	T500 G518 K522	T500-D520 WeakPolarHBondContact CB-OD1 3.47Å; T500-D520 WeakPolarHBondContact CB-OD2 3.44Å; T500-D520 WeakPolarHBondContact OG1-CB 3.33Å; T500-D520 PolarHBondContact OG1-N 3.44Å; T500-D520 PolarHBondContact OG1-OD1 2.87Å; G518-D520 VanDerWaalsContact C-N 3.33Å; D520-K522 PolarHBondContact O-N 2.99Å; D520-K522 PolarHBondContact OD1-N 2.71Å
521	R	94	Very high	94.7	Very high	121 Å²	121	45.5 Å²	45.5	46%	0.457	21%	0.207	S	C	.	.	S	Bend	trans	71.3	9.4	176.6	-48.9	168	-95.9	-170.3	-10.7	113.7	G518 T519 G539 S540 L541 G543	G518-R521 PolarHBondContact O-N 3.25Å; T519-R521 PolarHBondContact O-N 2.72Å; R521-G539 WeakPolarHBondContact O-CA 3.45Å; R521-G539 PolarHBondContact O-N 2.86Å; R521-S540 PolarHBondContact O-N 3.49Å; R521-S540 VanDerWaalsContact O-N 3.16Å; R521-L541 PolarHBondContact NH1-O 2.92Å; R521-G543 WeakPolarHBondContact CG-O 3.25Å
522	K	94.7	Very high	94.8	Very high	71 Å²	71	46.2 Å²	46.2	31%	0.309	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	155.6	-178.1	-66.3	179.9	170.2	-169.8	0	111.5	D520 E536 L537	D520-K522 PolarHBondContact O-N 2.99Å; D520-K522 PolarHBondContact OD1-N 2.71Å; K522-E536 WeakPolarHBondContact CD-OE2 3.08Å; K522-E536 IonicContact NZ-OE2 3.51Å; K522-E536 PolarHBondContact NZ-OE2 2.93Å; K522-L537 CarbonylContact C-O 3.57Å; K522-L537 WeakPolarHBondContact CA-O 3.3Å
523	I	96.7	Very high	94.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.2	167.3	-57.2	151.9	0	0	0	106.7	T516 Y525 E536 L537 I545 M548 F557 T559 W569	T516-I523 WeakPolarHBondContact O-CA 3.29Å; I523-Y525 HydrophobicContact CG2-CD2 4.42Å; I523-Y525 HydrophobicContact CG2-CE2 3.92Å; I523-E536 WeakPolarHBondContact O-CA 3.3Å; I523-L537 HydrophobicContact CB-CB 4.31Å; I523-L537 PolarHBondContact N-O 2.8Å; I523-L537 PolarHBondContact O-N 2.96Å; I523-I545 HydrophobicContact CD1-CD1 4.44Å; I523-I545 HydrophobicContact CG1-CD1 3.87Å; I523-M548 HydrophobicContact CG2-SD 4.35Å; I523-F557 HydrophobicContact CD1-CE2 3.74Å; I523-F557 HydrophobicContact CD1-CZ 4.06Å; I523-F557 HydrophobicContact CG1-CE2 4.49Å; I523-F557 HydrophobicContact CG2-CE2 4.15Å; I523-F557 HydrophobicContact CG2-CZ 4.35Å; I523-T559 HydrophobicContact CD1-CG2 4.05Å; I523-T559 HydrophobicContact CG1-CG2 4.4Å; I523-W569 HydrophobicContact CD1-CD2 4.28Å; I523-W569 HydrophobicContact CD1-CH2 4.29Å; I523-W569 HydrophobicContact CD1-CZ2 3.87Å
524	G	96.1	Very high	94.8	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.9	178.8	0	0	0	0	0	111.3	I515 T516 W526	I515-G524 CarbonylContact C-O 3.54Å; I515-G524 VanDerWaalsContact CA-O 3.3Å; I515-G524 WeakPolarHBondContact CA-O 3.45Å; T516-G524 PolarHBondContact N-O 2.91Å; T516-G524 PolarHBondContact O-N 2.79Å; T516-G524 PolarHBondContact OG1-O 2.92Å; G524-W526 PolarHBondContact O-NE1 2.76Å
525	Y	97.2	Very high	94.7	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.8	172.9	-74.8	-115.8	0	0	0	109.1	I515 I523 I534 R535 L537 F557 Y571	I515-Y525 HydrophobicContact CG2-CD1 3.74Å; I515-Y525 HydrophobicContact CG2-CD2 4.13Å; I515-Y525 HydrophobicContact CG2-CE1 3.65Å; I515-Y525 HydrophobicContact CG2-CE2 4.02Å; I515-Y525 HydrophobicContact CG2-CG 3.96Å; I523-Y525 HydrophobicContact CG2-CD2 4.42Å; I523-Y525 HydrophobicContact CG2-CE2 3.92Å; Y525-I534 PolarHBondContact O-N 3.47Å; Y525-R535 HydrophobicContact CD1-CG 4.22Å; Y525-R535 HydrophobicContact CD2-CG 3.55Å; Y525-R535 HydrophobicContact CE2-CG 4.31Å; Y525-R535 HydrophobicContact CG-CG 3.53Å; Y525-R535 PolarHBondContact N-O 2.69Å; Y525-R535 PolarHBondContact OH-NH2 2.81Å; Y525-L537 HydrophobicContact CE2-CD1 3.66Å; Y525-L537 HydrophobicContact CE2-CG 4.15Å; Y525-F557 WeakPolarHBondContact OH-CE1 3.43Å; Y525-F557 WeakPolarHBondContact OH-CZ 3.08Å; Y525-Y571 HydrophobicContact CD1-CE1 4.48Å; Y525-Y571 HydrophobicContact CD1-CE2 4.2Å; Y525-Y571 AromaticContact CD1-CZ 3.91Å; Y525-Y571 HydrophobicContact CE1-CD1 4.34Å; Y525-Y571 AromaticContact CE1-CD2 3.88Å; Y525-Y571 HydrophobicContact CE1-CD2 3.88Å; Y525-Y571 AromaticContact CE1-CE1 3.93Å; Y525-Y571 HydrophobicContact CE1-CE1 3.93Å; Y525-Y571 AromaticContact CE1-CE2 3.44Å; Y525-Y571 HydrophobicContact CE1-CE2 3.44Å; Y525-Y571 VanDerWaalsContact CE1-CE2 3.44Å; Y525-Y571 HydrophobicContact CE1-CG 4.31Å; Y525-Y571 AromaticContact CE1-CZ 3.46Å; Y525-Y571 VanDerWaalsContact CE1-CZ 3.46Å
526	W	96.6	Very high	94.6	Very high	16 Å²	16	50.4 Å²	50.4	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145	-175.1	-44.3	85.7	0	0	0	111.6	V496 A498 Q513 I514 T516 G524 S532 A533	V496-W526 HydrophobicContact CB-CD2 4.44Å; V496-W526 HydrophobicContact CB-CE3 4.4Å; V496-W526 HydrophobicContact CG1-CD2 3.36Å; V496-W526 VanDerWaalsContact CG1-CE2 3.48Å; V496-W526 HydrophobicContact CG1-CE3 3.39Å; V496-W526 HydrophobicContact CG1-CG 4.02Å; V496-W526 HydrophobicContact CG1-CH2 3.69Å; V496-W526 HydrophobicContact CG1-CZ2 3.66Å; V496-W526 HydrophobicContact CG1-CZ3 3.54Å; V496-W526 HydrophobicContact CG2-CB 4.26Å; V496-W526 HydrophobicContact CG2-CD2 4.23Å; V496-W526 HydrophobicContact CG2-CE3 4.16Å; V496-W526 HydrophobicContact CG2-CG 4.26Å; A498-W526 HydrophobicContact CB-CH2 4.32Å; A498-W526 HydrophobicContact CB-CZ2 4.31Å; Q513-W526 CarbonylContact C-O 3.59Å; Q513-W526 VanDerWaalsContact CA-O 3.29Å; Q513-W526 WeakPolarHBondContact CA-O 3.32Å; I514-W526 HydrophobicContact CD1-CB 4.24Å; I514-W526 HydrophobicContact CG1-CB 3.75Å; I514-W526 HydrophobicContact CG1-CG 4.34Å; I514-W526 PolarHBondContact N-O 3.34Å; I514-W526 PolarHBondContact O-N 3.5Å; T516-W526 PolarHBondContact OG1-NE1 3.15Å; G524-W526 PolarHBondContact O-NE1 2.76Å; W526-S532 VanDerWaalsContact CA-O 3.28Å; W526-S532 WeakPolarHBondContact CA-O 3.32Å; W526-A533 HydrophobicContact CE3-CB 3.76Å; W526-A533 HydrophobicContact CH2-CB 4.13Å; W526-A533 HydrophobicContact CZ3-CB 3.46Å; W526-A533 VanDerWaalsContact CZ3-CB 3.46Å
527	E	95.8	Very high	94.4	Very high	71 Å²	71	51.7 Å²	51.7	33%	0.332	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134	171.3	-170.7	104.4	-95	0	0	109.9	D530 G531 S532 I534	E527-D530 WeakPolarHBondContact CB-OD1 3.19Å; E527-G531 WeakPolarHBondContact O-CA 3.48Å; E527-G531 PolarHBondContact O-N 2.88Å; E527-S532 PolarHBondContact N-O 2.8Å; E527-I534 HydrophobicContact CB-CD1 4.3Å; E527-I534 HydrophobicContact CB-CG1 4.44Å
528	V	94.2	Very high	94.3	Very high	12 Å²	12	59.2 Å²	59.2	7%	0.073	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.9	-179.9	169.9	0	0	0	0	112	I484 Y507 Y512 I514	I484-V528 HydrophobicContact CD1-CB 4.37Å; I484-V528 HydrophobicContact CD1-CG1 4.12Å; I484-V528 HydrophobicContact CD1-CG2 4.45Å; Y507-V528 HydrophobicContact CD1-CG2 4.27Å; Y507-V528 HydrophobicContact CE1-CG2 3.91Å; Y512-V528 WeakPolarHBondContact O-CB 3.46Å; Y512-V528 WeakPolarHBondContact O-CG2 3.47Å; Y512-V528 PolarHBondContact O-N 3.35Å; I514-V528 HydrophobicContact CG2-CG2 3.77Å
529	Y	91.8	Very high	93.9	Very high	201 Å²	201	59.3 Å²	59.3	79%	0.788	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-46.3	-172.6	-179.2	-102.6	0	0	0	113.1	Q494	Q494-Y529 PolarHBondContact NE2-O 2.83Å
530	D	90.9	Very high	93.6	Very high	80 Å²	80	56.5 Å²	56.5	43%	0.428	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-5.9	-175.7	69.4	-6.5	0	0	0	114.2	E527 S532	E527-D530 WeakPolarHBondContact CB-OD1 3.19Å; D530-S532 VanDerWaalsContact C-N 3.28Å; D530-S532 PolarHBondContact O-N 2.64Å; D530-S532 VanDerWaalsContact OD1-CB 3.22Å; D530-S532 WeakPolarHBondContact OD1-CB 3.21Å; D530-S532 PolarHBondContact OD1-N 2.71Å; D530-S532 PolarHBondContact OD1-OG 2.85Å; D530-S532 PolarHBondContact OD2-OG 2.86Å
531	G	90.5	Very high	93.2	Very high	11 Å²	11	61.4 Å²	61.4	11%	0.113	30%	0.301	C	S	.	.			trans	73.8	15.8	-177.7	0	0	0	0	0	114.1	E527	E527-G531 WeakPolarHBondContact O-CA 3.48Å; E527-G531 PolarHBondContact O-N 2.88Å
532	S	93.6	Very high	92.7	Very high	46 Å²	46	60.2 Å²	60.2	32%	0.322	31%	0.312	S	S	.	.			trans	-70.6	146.9	179.3	61.2	0	0	0	0	112.4	W526 E527 D530	W526-S532 VanDerWaalsContact CA-O 3.28Å; W526-S532 WeakPolarHBondContact CA-O 3.32Å; E527-S532 PolarHBondContact N-O 2.8Å; D530-S532 VanDerWaalsContact C-N 3.28Å; D530-S532 PolarHBondContact O-N 2.64Å; D530-S532 VanDerWaalsContact OD1-CB 3.22Å; D530-S532 WeakPolarHBondContact OD1-CB 3.21Å; D530-S532 PolarHBondContact OD1-N 2.71Å; D530-S532 PolarHBondContact OD1-OG 2.85Å; D530-S532 PolarHBondContact OD2-OG 2.86Å
533	A	94.9	Very high	92.4	Very high	62 Å²	62	57.1 Å²	57.1	51%	0.512	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.1	174.8	0	0	0	0	0	109.9	W526	W526-A533 HydrophobicContact CE3-CB 3.76Å; W526-A533 HydrophobicContact CH2-CB 4.13Å; W526-A533 HydrophobicContact CZ3-CB 3.46Å; W526-A533 VanDerWaalsContact CZ3-CB 3.46Å
534	I	95.1	Very high	92.3	Very high	75 Å²	75	57.7 Å²	57.7	39%	0.385	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-51.5	177	-57.2	173.5	0	0	0	109.4	Q513 Y525 E527	Q513-I534 HydrophobicContact CG-CD1 3.71Å; Y525-I534 PolarHBondContact O-N 3.47Å; E527-I534 HydrophobicContact CB-CD1 4.3Å; E527-I534 HydrophobicContact CB-CG1 4.44Å
535	R	94.1	Very high	92.3	Very high	64 Å²	64	57.5 Å²	57.5	24%	0.242	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	160.5	178.8	65.7	177.2	-164.8	-175.5	8.2	112.2	Y525 Y571 S572	Y525-R535 HydrophobicContact CD1-CG 4.22Å; Y525-R535 HydrophobicContact CD2-CG 3.55Å; Y525-R535 HydrophobicContact CE2-CG 4.31Å; Y525-R535 HydrophobicContact CG-CG 3.53Å; Y525-R535 PolarHBondContact N-O 2.69Å; Y525-R535 PolarHBondContact OH-NH2 2.81Å; R535-Y571 PolarHBondContact NH2-O 2.8Å; R535-S572 PolarHBondContact NH1-O 3.04Å
536	E	93.9	Very high	92.2	Very high	101 Å²	101	58.6 Å²	58.6	47%	0.472	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	171.6	-66.4	-177.2	-179.9	0	0	109.7	K522 I523	K522-E536 WeakPolarHBondContact CD-OE2 3.08Å; K522-E536 IonicContact NZ-OE2 3.51Å; K522-E536 PolarHBondContact NZ-OE2 2.93Å; I523-E536 WeakPolarHBondContact O-CA 3.3Å
537	L	94.3	Very high	92.1	Very high	29 Å²	29	58 Å²	58	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.2	174.8	-54.5	174.7	0	0	0	110.1	K522 I523 Y525 G539 F557 G574	K522-L537 CarbonylContact C-O 3.57Å; K522-L537 WeakPolarHBondContact CA-O 3.3Å; I523-L537 HydrophobicContact CB-CB 4.31Å; I523-L537 PolarHBondContact N-O 2.8Å; I523-L537 PolarHBondContact O-N 2.96Å; Y525-L537 HydrophobicContact CE2-CD1 3.66Å; Y525-L537 HydrophobicContact CE2-CG 4.15Å; L537-G539 PolarHBondContact O-N 2.93Å; L537-F557 HydrophobicContact CD1-CZ 4.4Å; L537-G574 VanDerWaalsContact CD1-CA 3.48Å
538	E	93.1	Very high	92.1	Very high	160 Å²	160	55 Å²	55	75%	0.748	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	102.4	167.7	-69.4	-166	165.3	0	0	109.5
539	G	86.6	Confident	92.1	Very high	1 Å²	1	57 Å²	57	1%	0.01	30%	0.302	C	S	.	.			trans	-85	-34.3	-174.3	0	0	0	0	0	114.1	R521 L537 K567 W569	R521-G539 WeakPolarHBondContact O-CA 3.45Å; R521-G539 PolarHBondContact O-N 2.86Å; L537-G539 PolarHBondContact O-N 2.93Å; G539-K567 PolarHBondContact O-NZ 2.95Å; G539-W569 WeakPolarHBondContact O-CZ2 3.39Å
540	S	88.7	Confident	92.3	Very high	10 Å²	10	48.2 Å²	48.2	7%	0.07	27%	0.268	C	S	.	.			trans	-136.1	147.2	-179.8	179.8	0	0	0	0	112.7	R521 S542 G543 E563	R521-S540 PolarHBondContact O-N 3.49Å; R521-S540 VanDerWaalsContact O-N 3.16Å; S540-S542 PolarHBondContact OG-N 2.85Å; S540-G543 WeakPolarHBondContact CB-O 3.41Å; S540-G543 PolarHBondContact OG-N 2.84Å; S540-G543 PolarHBondContact OG-O 3.31Å; S540-E563 WeakPolarHBondContact CA-OE2 3.3Å; S540-E563 VanDerWaalsContact CB-OE2 3.26Å; S540-E563 WeakPolarHBondContact CB-OE2 3.4Å; S540-E563 PolarHBondContact OG-OE2 3.25Å
541	L	84.3	Confident	92.4	Very high	149 Å²	149	44.4 Å²	44.4	78%	0.78	25%	0.247	S	C	*	.	S	Bend	trans	-77.7	-35.9	177.4	-64.1	172.7	0	0	0	112.3	R521	R521-L541 PolarHBondContact NH1-O 2.92Å
542	S	84	Confident	92.3	Very high	97 Å²	97	49.3 Å²	49.3	68%	0.678	27%	0.267	S	S	*	.	S	Bend	trans	-139.2	-4.6	-164.7	66.1	0	0	0	0	116.1	S540	S540-S542 PolarHBondContact OG-N 2.85Å
543	G	88.8	Confident	92.1	Very high	6 Å²	6	50 Å²	50	6%	0.062	27%	0.272	C	S	.	.	S	Bend	trans	-144.7	154.2	-169.9	0	0	0	0	0	114.7	R521 S540	R521-G543 WeakPolarHBondContact CG-O 3.25Å; S540-G543 WeakPolarHBondContact CB-O 3.41Å; S540-G543 PolarHBondContact OG-N 2.84Å; S540-G543 PolarHBondContact OG-O 3.31Å
544	A	93.9	Very high	91.9	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	25%	0.249	C	C	.	.			trans	-62.8	151.5	176	0	0	0	0	0	111	T519 G561 D562	T519-A544 HydrophobicContact CG2-CB 4.05Å; A544-G561 CarbonylContact O-C 3.59Å; A544-G561 WeakPolarHBondContact O-CA 3.48Å; A544-D562 WeakPolarHBondContact CB-OD2 3.39Å; A544-D562 PolarHBondContact N-OD2 2.73Å; A544-D562 PolarHBondContact O-N 3.3Å
545	I	96.4	Very high	91.8	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.4	174.1	-58.3	170	0	0	0	107.2	R503 G518 I523 T559	R503-I545 WeakPolarHBondContact CB-O 3.31Å; G518-I545 PolarHBondContact O-N 3.33Å; G518-I545 VanDerWaalsContact O-N 3.12Å; I523-I545 HydrophobicContact CD1-CD1 4.44Å; I523-I545 HydrophobicContact CG1-CD1 3.87Å; I545-T559 HydrophobicContact CG2-CG2 4.23Å
546	N	95.1	Very high	91.9	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.139	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-40	-170.9	-63.7	-43.9	0	0	0	112.9	R503 G560 D562 I587	R503-N546 HydrophobicContact CG-CB 4.16Å; N546-G560 PolarHBondContact N-O 2.94Å; N546-D562 PolarHBondContact ND2-OD1 3.02Å; N546-I587 VanDerWaalsContact CB-O 3.29Å; N546-I587 WeakPolarHBondContact CB-O 3.44Å; N546-I587 PolarHBondContact ND2-O 3.06Å
547	G	93.2	Very high	92	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143	-178.6	0	0	0	0	0	111	T559 G560	G547-T559 WeakPolarHBondContact O-CA 3.15Å; G547-G560 PolarHBondContact N-O 2.97Å; G547-G560 PolarHBondContact O-N 2.75Å
548	M	95.8	Very high	92.1	Very high	8 Å²	8	41 Å²	41	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145	174.4	-175.1	168	59.2	0	0	110.1	C506 I515 I523 F557 V558 T559	C506-M548 PolarHBondContact SG-O 3.37Å; C506-M548 VanDerWaalsContact SG-O 3.34Å; I515-M548 HydrophobicContact CB-CE 4.04Å; I515-M548 HydrophobicContact CB-SD 4.32Å; I515-M548 HydrophobicContact CD1-CE 3.99Å; I515-M548 HydrophobicContact CD1-CG 4.16Å; I515-M548 HydrophobicContact CD1-SD 3.59Å; I515-M548 VanDerWaalsContact CD1-SD 3.59Å; I515-M548 HydrophobicContact CG1-CE 3.64Å; I515-M548 HydrophobicContact CG1-SD 3.92Å; I515-M548 VanDerWaalsContact O-CE 3.3Å; I515-M548 WeakPolarHBondContact O-CE 3.34Å; I523-M548 HydrophobicContact CG2-SD 4.35Å; M548-F557 HydrophobicContact CG-CD2 4.4Å; M548-F557 HydrophobicContact SD-CD2 4.2Å; M548-V558 VanDerWaalsContact CA-O 3.24Å; M548-V558 WeakPolarHBondContact CA-O 3.44Å; M548-V558 WeakPolarHBondContact CG-O 3.39Å; M548-T559 HydrophobicContact CG-CG2 4.12Å; M548-T559 HydrophobicContact SD-CG2 4.17Å
549	H	96.2	Very high	92.3	Very high	55 Å²	55	33.4 Å²	33.4	26%	0.255	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.8	173.5	-168.7	-117	0	0	0	110.6	F557 V558 V590 I592	H549-F557 CarbonylContact O-C 3.57Å; H549-F557 WeakPolarHBondContact O-CA 3.16Å; H549-F557 WeakPolarHBondContact O-CB 3.31Å; H549-V558 HydrophobicContact CB-CG2 3.93Å; H549-V558 PolarHBondContact N-O 2.83Å; H549-V558 VanDerWaalsContact N-O 3.13Å; H549-V558 WeakPolarHBondContact O-CG2 3.36Å; H549-V558 PolarHBondContact O-N 2.96Å; H549-V590 WeakPolarHBondContact CB-O 3.46Å; H549-I592 PolarHBondContact ND1-N 3.36Å
550	I	95	Very high	92.7	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.077	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.2	176.7	-164	152.1	0	0	0	110.4	Y507 I515 F557 Y571	Y507-I550 WeakPolarHBondContact O-CG2 3.44Å; I515-I550 HydrophobicContact CD1-CD1 4.36Å; I550-F557 HydrophobicContact CB-CB 4.38Å; I550-F557 HydrophobicContact CG1-CB 4.22Å; I550-Y571 HydrophobicContact CD1-CD2 3.66Å; I550-Y571 HydrophobicContact CD1-CE2 3.72Å
551	S	93.3	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.			trans	-66.4	152.7	172	58.7	0	0	0	0	110.8	P509 S553 G554 Q555 H556 Y613	P509-S551 WeakPolarHBondContact CG-O 3.3Å; S551-S553 PolarHBondContact O-N 2.9Å; S551-S553 PolarHBondContact OG-OG 2.96Å; S551-G554 PolarHBondContact O-N 3.25Å; S551-G554 PolarHBondContact OG-N 2.92Å; S551-Q555 PolarHBondContact OG-N 3.33Å; S551-H556 VanDerWaalsContact CB-O 3.32Å; S551-H556 WeakPolarHBondContact CB-O 3.45Å; S551-H556 PolarHBondContact N-O 3.01Å; S551-H556 PolarHBondContact OG-N 2.84Å; S551-H556 VanDerWaalsContact OG-N 3.12Å; S551-H556 PolarHBondContact OG-O 3.16Å; S551-Y613 WeakPolarHBondContact CB-OH 3.05Å
552	Q	88.6	Confident	93.4	Very high	115 Å²	115	29 Å²	29	54%	0.537	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.6	-179.8	-171.1	57.8	46.2	0	0	112.8	P509 G554	P509-Q552 WeakPolarHBondContact CG-O 3.35Å; Q552-G554 VanDerWaalsContact C-N 3.34Å
553	S	89.1	Confident	93.7	Very high	61 Å²	61	25.8 Å²	25.8	43%	0.427	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.3	174.1	63.4	0	0	0	0	113.5	S551 Q555	S551-S553 PolarHBondContact O-N 2.9Å; S551-S553 PolarHBondContact OG-OG 2.96Å; S553-Q555 PolarHBondContact O-N 2.84Å; S553-Q555 PolarHBondContact OG-N 3.25Å
554	G	91.1	Very high	93.8	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	77.7	-5.5	-176.1	0	0	0	0	0	114.5	H508 S551 Q552 Y571	H508-G554 PolarHBondContact NE2-O 3.13Å; S551-G554 PolarHBondContact O-N 3.25Å; S551-G554 PolarHBondContact OG-N 2.92Å; Q552-G554 VanDerWaalsContact C-N 3.34Å; G554-Y571 WeakPolarHBondContact O-CB 3.38Å
555	Q	93.1	Very high	93.7	Very high	124 Å²	124	30 Å²	30	58%	0.579	15%	0.153	S	C	*	.	S	Bend	trans	-74.6	-29.3	-174.9	-68	-175.8	-16.2	0	0	113.5	S551 S553 Y571	S551-Q555 PolarHBondContact OG-N 3.33Å; S553-Q555 PolarHBondContact O-N 2.84Å; S553-Q555 PolarHBondContact OG-N 3.25Å; Q555-Y571 VanDerWaalsContact O-CB 3.25Å; Q555-Y571 WeakPolarHBondContact O-CB 3Å; Q555-Y571 PolarHBondContact O-N 3.01Å
556	H	95	Very high	93.7	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.065	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.2	179.2	-56.9	-64.9	0	0	0	111.9	S551 V568 W569 D570 Y613 H615	S551-H556 VanDerWaalsContact CB-O 3.32Å; S551-H556 WeakPolarHBondContact CB-O 3.45Å; S551-H556 PolarHBondContact N-O 3.01Å; S551-H556 PolarHBondContact OG-N 2.84Å; S551-H556 VanDerWaalsContact OG-N 3.12Å; S551-H556 PolarHBondContact OG-O 3.16Å; H556-V568 HydrophobicContact CB-CG1 4.48Å; H556-W569 WeakPolarHBondContact CA-O 3.37Å; H556-W569 VanDerWaalsContact CB-O 3.23Å; H556-W569 WeakPolarHBondContact CB-O 3.39Å; H556-W569 PolarHBondContact ND1-O 3.13Å; H556-D570 IonicContact CE1-OD2 3.73Å; H556-D570 IonicContact ND1-OD2 3.32Å; H556-Y613 VanDerWaalsContact CB-OH 3.29Å; H556-Y613 WeakPolarHBondContact CB-OH 3.43Å; H556-Y613 PolarHBondContact CD2-OH 3.02Å; H556-H615 AromaticContact CD2-CD2 3.56Å; H556-H615 AromaticContact CD2-CG 3.77Å; H556-H615 AromaticContact CE1-CD2 3.68Å; H556-H615 AromaticContact CE1-NE2 3.93Å; H556-H615 AromaticContact CG-CD2 3.97Å; H556-H615 AromaticContact NE2-CD2 3.35Å; H556-H615 PolarHBondContact NE2-CD2 3.18Å; H556-H615 VanDerWaalsContact NE2-CD2 3.35Å; H556-H615 AromaticContact NE2-CG 3.42Å; H556-H615 AromaticContact NE2-NE2 3.97Å
557	F	95.8	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.8	170.9	68.2	-81	0	0	0	110.4	I515 I523 Y525 L537 M548 H549 I550 T559 W569 Y571	I515-F557 HydrophobicContact CD1-CB 3.95Å; I515-F557 HydrophobicContact CD1-CD2 4.05Å; I515-F557 HydrophobicContact CD1-CG 3.95Å; I523-F557 HydrophobicContact CD1-CE2 3.74Å; I523-F557 HydrophobicContact CD1-CZ 4.06Å; I523-F557 HydrophobicContact CG1-CE2 4.49Å; I523-F557 HydrophobicContact CG2-CE2 4.15Å; I523-F557 HydrophobicContact CG2-CZ 4.35Å; Y525-F557 WeakPolarHBondContact OH-CE1 3.43Å; Y525-F557 WeakPolarHBondContact OH-CZ 3.08Å; L537-F557 HydrophobicContact CD1-CZ 4.4Å; M548-F557 HydrophobicContact CG-CD2 4.4Å; M548-F557 HydrophobicContact SD-CD2 4.2Å; H549-F557 CarbonylContact O-C 3.57Å; H549-F557 WeakPolarHBondContact O-CA 3.16Å; H549-F557 WeakPolarHBondContact O-CB 3.31Å; I550-F557 HydrophobicContact CB-CB 4.38Å; I550-F557 HydrophobicContact CG1-CB 4.22Å; F557-T559 HydrophobicContact CD2-CG2 3.97Å; F557-T559 HydrophobicContact CE2-CG2 3.84Å; F557-W569 HydrophobicContact CD1-CB 3.71Å; F557-W569 HydrophobicContact CD2-CB 4.11Å; F557-W569 AromaticContact CD2-CD1 3.99Å; F557-W569 HydrophobicContact CD2-CG 4.21Å; F557-W569 HydrophobicContact CE1-CB 3.22Å; F557-W569 AromaticContact CE1-CG 3.97Å; F557-W569 HydrophobicContact CE1-CG 3.97Å; F557-W569 HydrophobicContact CE2-CB 3.69Å; F557-W569 AromaticContact CE2-CD1 3.53Å; F557-W569 HydrophobicContact CE2-CD2 4.18Å; F557-W569 AromaticContact CE2-CG 3.54Å; F557-W569 HydrophobicContact CE2-CG 3.54Å; F557-W569 HydrophobicContact CG-CB 4.13Å; F557-W569 HydrophobicContact CZ-CB 3.22Å; F557-W569 AromaticContact CZ-CD1 3.92Å; F557-W569 AromaticContact CZ-CD2 3.9Å; F557-W569 HydrophobicContact CZ-CD2 3.9Å; F557-W569 HydrophobicContact CZ-CE3 4.37Å; F557-W569 AromaticContact CZ-CG 3.4Å; F557-W569 HydrophobicContact CZ-CG 3.4Å; F557-W569 VanDerWaalsContact CZ-CG 3.4Å; F557-W569 PolarHBondContact N-O 2.88Å; F557-W569 VanDerWaalsContact N-O 3.13Å; F557-W569 PolarHBondContact O-N 2.92Å; F557-Y571 HydrophobicContact CD1-CD2 4.02Å
558	V	97	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.8	-175.6	-62.8	0	0	0	0	110.3	M548 H549 K567 V568 V590 I592 M599	M548-V558 VanDerWaalsContact CA-O 3.24Å; M548-V558 WeakPolarHBondContact CA-O 3.44Å; M548-V558 WeakPolarHBondContact CG-O 3.39Å; H549-V558 HydrophobicContact CB-CG2 3.93Å; H549-V558 PolarHBondContact N-O 2.83Å; H549-V558 VanDerWaalsContact N-O 3.13Å; H549-V558 WeakPolarHBondContact O-CG2 3.36Å; H549-V558 PolarHBondContact O-N 2.96Å; V558-K567 VanDerWaalsContact CA-O 3.3Å; V558-K567 WeakPolarHBondContact CA-O 3.37Å; V558-V568 HydrophobicContact CG1-CG1 4.33Å; V558-V568 HydrophobicContact CG1-CG2 4.18Å; V558-V590 HydrophobicContact CB-CG2 4.28Å; V558-V590 HydrophobicContact CG2-CB 4.47Å; V558-V590 HydrophobicContact CG2-CG1 3.95Å; V558-V590 HydrophobicContact CG2-CG2 3.76Å; V558-I592 HydrophobicContact CB-CD1 4.47Å; V558-I592 HydrophobicContact CG1-CD1 3.76Å; V558-I592 HydrophobicContact CG1-CG1 4Å; V558-I592 HydrophobicContact CG2-CD1 3.91Å; V558-I592 HydrophobicContact CG2-CG1 3.69Å; V558-M599 HydrophobicContact CB-SD 4.49Å; V558-M599 HydrophobicContact CG1-SD 3.44Å; V558-M599 WeakPolarHBondContact CG1-SD 3.36Å
559	T	96.9	Very high	93.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	178	61.4	0	0	0	0	111.1	I523 I545 G547 M548 F557 K567 W569	I523-T559 HydrophobicContact CD1-CG2 4.05Å; I523-T559 HydrophobicContact CG1-CG2 4.4Å; I545-T559 HydrophobicContact CG2-CG2 4.23Å; G547-T559 WeakPolarHBondContact O-CA 3.15Å; M548-T559 HydrophobicContact CG-CG2 4.12Å; M548-T559 HydrophobicContact SD-CG2 4.17Å; F557-T559 HydrophobicContact CD2-CG2 3.97Å; F557-T559 HydrophobicContact CE2-CG2 3.84Å; T559-K567 PolarHBondContact N-O 2.98Å; T559-K567 PolarHBondContact O-N 2.97Å; T559-W569 PolarHBondContact OG1-NE1 3.09Å
560	G	95.9	Very high	93.8	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.8	171.8	0	0	0	0	0	111	N546 G547	N546-G560 PolarHBondContact N-O 2.94Å; G547-G560 PolarHBondContact N-O 2.97Å; G547-G560 PolarHBondContact O-N 2.75Å
561	G	94.4	Very high	93.8	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-158.8	-175.1	0	0	0	0	0	115	A544 E563 K564 I587	A544-G561 CarbonylContact O-C 3.59Å; A544-G561 WeakPolarHBondContact O-CA 3.48Å; G561-E563 PolarHBondContact O-N 3.24Å; G561-K564 PolarHBondContact O-N 3.01Å; G561-K564 VanDerWaalsContact O-N 3.13Å; G561-I587 PolarHBondContact O-N 2.84Å
562	D	93.4	Very high	93.8	Very high	64 Å²	64	33 Å²	33	34%	0.342	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.1	-176.6	-62.8	-27.4	0	0	0	113.5	A544 N546 K564 S586	A544-D562 WeakPolarHBondContact CB-OD2 3.39Å; A544-D562 PolarHBondContact N-OD2 2.73Å; A544-D562 PolarHBondContact O-N 3.3Å; N546-D562 PolarHBondContact ND2-OD1 3.02Å; D562-K564 WeakPolarHBondContact O-CG 3.42Å; D562-K564 PolarHBondContact O-N 3.04Å; D562-S586 WeakPolarHBondContact OD1-CB 3.34Å; D562-S586 PolarHBondContact OD1-OG 2.9Å
563	E	90.2	Very high	94	Very high	30 Å²	30	34 Å²	34	14%	0.14	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.8	171.3	65.2	175.8	-165.5	0	0	113.3	S540 G561 L565 K567	S540-E563 WeakPolarHBondContact CA-OE2 3.3Å; S540-E563 VanDerWaalsContact CB-OE2 3.26Å; S540-E563 WeakPolarHBondContact CB-OE2 3.4Å; S540-E563 PolarHBondContact OG-OE2 3.25Å; G561-E563 PolarHBondContact O-N 3.24Å; E563-L565 HydrophobicContact CG-CB 4.08Å; E563-L565 HydrophobicContact CG-CG 4.32Å; E563-L565 PolarHBondContact O-N 2.81Å; E563-L565 VanDerWaalsContact O-N 3.16Å; E563-K567 VanDerWaalsContact CD-NZ 3.29Å; E563-K567 WeakPolarHBondContact OE1-CD 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.07Å; E563-K567 IonicContact OE1-NZ 2.8Å; E563-K567 PolarHBondContact OE1-NZ 2.9Å; E563-K567 IonicContact OE2-NZ 2.95Å; E563-K567 PolarHBondContact OE2-NZ 3.06Å
564	K	90.6	Very high	94.1	Very high	60 Å²	60	31.6 Å²	31.6	26%	0.261	16%	0.163	S	C	.	.			trans	65.4	12.9	175.8	-38.4	175.7	-178.8	-172.2	0	114.4	G561 D562 S584 G585	G561-K564 PolarHBondContact O-N 3.01Å; G561-K564 VanDerWaalsContact O-N 3.13Å; D562-K564 WeakPolarHBondContact O-CG 3.42Å; D562-K564 PolarHBondContact O-N 3.04Å; K564-S584 VanDerWaalsContact CD-O 3.28Å; K564-S584 WeakPolarHBondContact CD-O 3.46Å; K564-S584 WeakPolarHBondContact CE-O 3.5Å; K564-S584 PolarHBondContact NZ-O 2.83Å; K564-G585 WeakPolarHBondContact CG-O 3.23Å
565	L	92.5	Very high	94.2	Very high	45 Å²	45	38 Å²	38	24%	0.236	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.5	176.4	-57.5	178.4	0	0	0	110	E563 V579 G580 V581 I587	E563-L565 HydrophobicContact CG-CB 4.08Å; E563-L565 HydrophobicContact CG-CG 4.32Å; E563-L565 PolarHBondContact O-N 2.81Å; E563-L565 VanDerWaalsContact O-N 3.16Å; L565-V579 HydrophobicContact CB-CG1 4.23Å; L565-V579 HydrophobicContact CD1-CG1 4.13Å; L565-V579 HydrophobicContact CD2-CG1 4.18Å; L565-V579 HydrophobicContact CG-CG1 4.41Å; L565-G580 WeakPolarHBondContact CA-O 3.33Å; L565-V581 HydrophobicContact CD2-CB 4.42Å; L565-V581 HydrophobicContact CD2-CG2 3.71Å; L565-I587 VanDerWaalsContact C-CD1 3.46Å; L565-I587 WeakPolarHBondContact O-CD1 3.34Å
566	V	95.2	Very high	94.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.5	164.9	-179.9	0	0	0	0	107	L11 V579 G580 I587 V590 W611	L11-V566 HydrophobicContact CD2-CB 4.46Å; L11-V566 HydrophobicContact CD2-CG1 4.17Å; V566-V579 CarbonylContact O-C 3.59Å; V566-V579 WeakPolarHBondContact O-CA 3.46Å; V566-G580 PolarHBondContact N-O 3.25Å; V566-G580 PolarHBondContact O-N 3.08Å; V566-I587 HydrophobicContact CG2-CD1 3.73Å; V566-V590 HydrophobicContact CG1-CG2 4.36Å; V566-W611 HydrophobicContact CG2-CZ2 4.17Å
567	K	95.7	Very high	94.2	Very high	21 Å²	21	34.5 Å²	34.5	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.7	177	-70.1	174.3	171.9	156	0	110	G539 V558 T559 E563 W569 V576 V579	G539-K567 PolarHBondContact O-NZ 2.95Å; V558-K567 VanDerWaalsContact CA-O 3.3Å; V558-K567 WeakPolarHBondContact CA-O 3.37Å; T559-K567 PolarHBondContact N-O 2.98Å; T559-K567 PolarHBondContact O-N 2.97Å; E563-K567 VanDerWaalsContact CD-NZ 3.29Å; E563-K567 WeakPolarHBondContact OE1-CD 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.07Å; E563-K567 IonicContact OE1-NZ 2.8Å; E563-K567 PolarHBondContact OE1-NZ 2.9Å; E563-K567 IonicContact OE2-NZ 2.95Å; E563-K567 PolarHBondContact OE2-NZ 3.06Å; K567-W569 HydrophobicContact CB-CZ2 4.35Å; K567-W569 HydrophobicContact CD-CZ2 3.76Å; K567-V576 HydrophobicContact CB-CG1 4.28Å; K567-V576 HydrophobicContact CD-CG2 4.35Å; K567-V576 HydrophobicContact CG-CG1 4.31Å; K567-V579 HydrophobicContact CG-CG2 4.35Å
568	V	96.1	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.7	170.1	-171.3	0	0	0	0	107.6	L11 H556 V558 V576 T577 H578 M599 Y613 P614	L11-V568 HydrophobicContact CD1-CG2 4.06Å; H556-V568 HydrophobicContact CB-CG1 4.48Å; V558-V568 HydrophobicContact CG1-CG1 4.33Å; V558-V568 HydrophobicContact CG1-CG2 4.18Å; V568-V576 CarbonylContact O-C 3.59Å; V568-V576 WeakPolarHBondContact O-CA 3.31Å; V568-T577 PolarHBondContact O-N 2.84Å; V568-T577 PolarHBondContact O-OG1 2.85Å; V568-H578 HydrophobicContact CB-CB 4.13Å; V568-H578 HydrophobicContact CG2-CB 4.05Å; V568-H578 PolarHBondContact N-O 3.09Å; V568-H578 PolarHBondContact O-N 2.9Å; V568-M599 HydrophobicContact CG2-CE 3.86Å; V568-M599 HydrophobicContact CG2-SD 4.29Å; V568-Y613 HydrophobicContact CG1-CE2 4.4Å; V568-P614 HydrophobicContact CG1-CG 4.36Å; V568-P614 HydrophobicContact CG2-CG 4.38Å
569	W	95.9	Very high	94	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146	-173.4	-61.3	83.7	0	0	0	111.2	I523 G539 H556 F557 T559 K567 G574 E575 V576	I523-W569 HydrophobicContact CD1-CD2 4.28Å; I523-W569 HydrophobicContact CD1-CH2 4.29Å; I523-W569 HydrophobicContact CD1-CZ2 3.87Å; G539-W569 WeakPolarHBondContact O-CZ2 3.39Å; H556-W569 WeakPolarHBondContact CA-O 3.37Å; H556-W569 VanDerWaalsContact CB-O 3.23Å; H556-W569 WeakPolarHBondContact CB-O 3.39Å; H556-W569 PolarHBondContact ND1-O 3.13Å; F557-W569 HydrophobicContact CD1-CB 3.71Å; F557-W569 HydrophobicContact CD2-CB 4.11Å; F557-W569 AromaticContact CD2-CD1 3.99Å; F557-W569 HydrophobicContact CD2-CG 4.21Å; F557-W569 HydrophobicContact CE1-CB 3.22Å; F557-W569 AromaticContact CE1-CG 3.97Å; F557-W569 HydrophobicContact CE1-CG 3.97Å; F557-W569 HydrophobicContact CE2-CB 3.69Å; F557-W569 AromaticContact CE2-CD1 3.53Å; F557-W569 HydrophobicContact CE2-CD2 4.18Å; F557-W569 AromaticContact CE2-CG 3.54Å; F557-W569 HydrophobicContact CE2-CG 3.54Å; F557-W569 HydrophobicContact CG-CB 4.13Å; F557-W569 HydrophobicContact CZ-CB 3.22Å; F557-W569 AromaticContact CZ-CD1 3.92Å; F557-W569 AromaticContact CZ-CD2 3.9Å; F557-W569 HydrophobicContact CZ-CD2 3.9Å; F557-W569 HydrophobicContact CZ-CE3 4.37Å; F557-W569 AromaticContact CZ-CG 3.4Å; F557-W569 HydrophobicContact CZ-CG 3.4Å; F557-W569 VanDerWaalsContact CZ-CG 3.4Å; F557-W569 PolarHBondContact N-O 2.88Å; F557-W569 VanDerWaalsContact N-O 3.13Å; F557-W569 PolarHBondContact O-N 2.92Å; T559-W569 PolarHBondContact OG1-NE1 3.09Å; K567-W569 HydrophobicContact CB-CZ2 4.35Å; K567-W569 HydrophobicContact CD-CZ2 3.76Å; W569-G574 WeakPolarHBondContact CZ3-O 3.4Å; W569-E575 CarbonylContact C-O 3.54Å; W569-E575 VanDerWaalsContact CA-O 3.29Å; W569-E575 WeakPolarHBondContact CA-O 3.43Å; W569-V576 HydrophobicContact CD2-CG2 3.85Å; W569-V576 HydrophobicContact CE3-CG2 3.61Å; W569-V576 HydrophobicContact CH2-CG2 3.35Å; W569-V576 HydrophobicContact CZ2-CG2 3.6Å; W569-V576 HydrophobicContact CZ3-CG2 3.37Å
570	D	95.3	Very high	93.7	Very high	40 Å²	40	37.1 Å²	37.1	21%	0.214	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.2	162.1	-169.3	-82.3	0	0	0	110.4	H556 S572 E573 G574 E575 T577	H556-D570 IonicContact CE1-OD2 3.73Å; H556-D570 IonicContact ND1-OD2 3.32Å; D570-S572 WeakPolarHBondContact OD1-CA 3.19Å; D570-S572 PolarHBondContact OD1-N 3.22Å; D570-E573 HydrophobicContact CB-CB 4.31Å; D570-E573 PolarHBondContact OD1-N 3.34Å; D570-G574 VanDerWaalsContact O-CA 3.25Å; D570-G574 WeakPolarHBondContact O-CA 3.25Å; D570-G574 PolarHBondContact O-N 3.05Å; D570-E575 PolarHBondContact N-O 3.03Å; D570-T577 HydrophobicContact CB-CG2 4.21Å
571	Y	94.9	Very high	93.3	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-31.2	-178.2	-174	-88	0	0	0	112.5	H508 Q513 I515 Y525 R535 I550 G554 Q555 F557	H508-Y571 AromaticContact CD2-CD1 3.88Å; H508-Y571 AromaticContact CD2-CE1 3.47Å; H508-Y571 VanDerWaalsContact CD2-CE1 3.47Å; H508-Y571 WeakPolarHBondContact CD2-CE1 3.28Å; H508-Y571 AromaticContact CD2-CE2 3.64Å; H508-Y571 AromaticContact CD2-CZ 3.33Å; H508-Y571 AromaticContact NE2-CD1 3.96Å; H508-Y571 AromaticContact NE2-CE1 3.86Å; Q513-Y571 WeakPolarHBondContact CB-OH 3.31Å; Q513-Y571 PolarHBondContact OE1-OH 2.95Å; I515-Y571 HydrophobicContact CG2-CE2 3.72Å; Y525-Y571 HydrophobicContact CD1-CE1 4.48Å; Y525-Y571 HydrophobicContact CD1-CE2 4.2Å; Y525-Y571 AromaticContact CD1-CZ 3.91Å; Y525-Y571 HydrophobicContact CE1-CD1 4.34Å; Y525-Y571 AromaticContact CE1-CD2 3.88Å; Y525-Y571 HydrophobicContact CE1-CD2 3.88Å; Y525-Y571 AromaticContact CE1-CE1 3.93Å; Y525-Y571 HydrophobicContact CE1-CE1 3.93Å; Y525-Y571 AromaticContact CE1-CE2 3.44Å; Y525-Y571 HydrophobicContact CE1-CE2 3.44Å; Y525-Y571 VanDerWaalsContact CE1-CE2 3.44Å; Y525-Y571 HydrophobicContact CE1-CG 4.31Å; Y525-Y571 AromaticContact CE1-CZ 3.46Å; Y525-Y571 VanDerWaalsContact CE1-CZ 3.46Å; R535-Y571 PolarHBondContact NH2-O 2.8Å; I550-Y571 HydrophobicContact CD1-CD2 3.66Å; I550-Y571 HydrophobicContact CD1-CE2 3.72Å; G554-Y571 WeakPolarHBondContact O-CB 3.38Å; Q555-Y571 VanDerWaalsContact O-CB 3.25Å; Q555-Y571 WeakPolarHBondContact O-CB 3Å; Q555-Y571 PolarHBondContact O-N 3.01Å; F557-Y571 HydrophobicContact CD1-CD2 4.02Å
572	S	93.3	Very high	92.8	Very high	85 Å²	85	40.4 Å²	40.4	59%	0.594	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-45.2	-176.5	-58.4	0	0	0	0	111.4	R535 D570	R535-S572 PolarHBondContact NH1-O 3.04Å; D570-S572 WeakPolarHBondContact OD1-CA 3.19Å; D570-S572 PolarHBondContact OD1-N 3.22Å
573	E	91.8	Very high	92.5	Very high	137 Å²	137	37.6 Å²	37.6	64%	0.64	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-30.7	-178.4	-60.1	-57.6	146.2	0	0	112	D570 E575	D570-E573 HydrophobicContact CB-CB 4.31Å; D570-E573 PolarHBondContact OD1-N 3.34Å; E573-E575 VanDerWaalsContact C-N 3.31Å; E573-E575 HydrophobicContact CB-CG 4.15Å
574	G	91.5	Very high	92.2	Very high	9 Å²	9	36.4 Å²	36.4	9%	0.093	20%	0.195	C	C	.	.			trans	75.6	21.4	-175.1	0	0	0	0	0	113.3	L537 W569 D570	L537-G574 VanDerWaalsContact CD1-CA 3.48Å; W569-G574 WeakPolarHBondContact CZ3-O 3.4Å; D570-G574 VanDerWaalsContact O-CA 3.25Å; D570-G574 WeakPolarHBondContact O-CA 3.25Å; D570-G574 PolarHBondContact O-N 3.05Å
575	E	93	Very high	92	Very high	136 Å²	136	34.2 Å²	34.2	64%	0.636	19%	0.19	S	C	*	.			trans	-97.7	151.3	178.1	-63.7	-169.4	159.1	0	0	111.9	W569 D570 E573 T577	W569-E575 CarbonylContact C-O 3.54Å; W569-E575 VanDerWaalsContact CA-O 3.29Å; W569-E575 WeakPolarHBondContact CA-O 3.43Å; D570-E575 PolarHBondContact N-O 3.03Å; E573-E575 VanDerWaalsContact C-N 3.31Å; E573-E575 HydrophobicContact CB-CG 4.15Å; E575-T577 PolarHBondContact O-N 2.94Å
576	V	94.5	Very high	92	Very high	33 Å²	33	33.9 Å²	33.9	20%	0.2	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.2	176.3	-176.6	0	0	0	0	109.3	I8 K567 V568 W569 H578 V579	I8-V576 HydrophobicContact CD1-CB 4.21Å; I8-V576 HydrophobicContact CD1-CG1 4.35Å; I8-V576 HydrophobicContact CG2-CG1 4.1Å; K567-V576 HydrophobicContact CB-CG1 4.28Å; K567-V576 HydrophobicContact CD-CG2 4.35Å; K567-V576 HydrophobicContact CG-CG1 4.31Å; V568-V576 CarbonylContact O-C 3.59Å; V568-V576 WeakPolarHBondContact O-CA 3.31Å; W569-V576 HydrophobicContact CD2-CG2 3.85Å; W569-V576 HydrophobicContact CE3-CG2 3.61Å; W569-V576 HydrophobicContact CH2-CG2 3.35Å; W569-V576 HydrophobicContact CZ2-CG2 3.6Å; W569-V576 HydrophobicContact CZ3-CG2 3.37Å; V576-H578 WeakPolarHBondContact CG1-O 3.07Å; V576-V579 HydrophobicContact CG1-CG2 3.76Å
577	T	93.8	Very high	92.1	Very high	32 Å²	32	33.9 Å²	33.9	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-37.6	177	69.2	0	0	0	0	111.9	I8 P9 V568 D570 E575 H615	I8-T577 WeakPolarHBondContact CG2-O 3.24Å; P9-T577 WeakPolarHBondContact CD-O 3.22Å; V568-T577 PolarHBondContact O-N 2.84Å; V568-T577 PolarHBondContact O-OG1 2.85Å; D570-T577 HydrophobicContact CB-CG2 4.21Å; E575-T577 PolarHBondContact O-N 2.94Å; T577-H615 PolarHBondContact OG1-NE2 3.44Å
578	H	94.6	Very high	92.1	Very high	30 Å²	30	34.4 Å²	34.4	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.1	-176.9	-63.3	72.7	0	0	0	112.4	P9 L11 V568 V576 P614 H615	P9-H578 VanDerWaalsContact O-CA 3.29Å; P9-H578 WeakPolarHBondContact O-CA 3.26Å; L11-H578 HydrophobicContact CD1-CB 4.17Å; V568-H578 HydrophobicContact CB-CB 4.13Å; V568-H578 HydrophobicContact CG2-CB 4.05Å; V568-H578 PolarHBondContact N-O 3.09Å; V568-H578 PolarHBondContact O-N 2.9Å; V576-H578 WeakPolarHBondContact CG1-O 3.07Å; H578-P614 HydrophobicContact CB-CG 4.34Å; H578-P614 WeakPolarHBondContact CE1-CB 3.34Å; H578-P614 WeakPolarHBondContact ND1-CG 3.34Å; H578-P614 WeakPolarHBondContact NE2-CB 3.44Å; H578-H615 AromaticContact CE1-CE1 3.93Å; H578-H615 AromaticContact CE1-NE2 3.7Å; H578-H615 AromaticContact ND1-NE2 3.76Å
579	V	94	Very high	92.1	Very high	28 Å²	28	35.2 Å²	35.2	17%	0.17	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.8	175	-177.1	0	0	0	0	111.4	I8 P9 R10 L11 L565 V566 K567 V576	I8-V579 HydrophobicContact CG2-CG2 3.92Å; P9-V579 PolarHBondContact O-N 2.49Å; R10-V579 WeakPolarHBondContact CA-O 3.24Å; L11-V579 PolarHBondContact N-O 3.22Å; L565-V579 HydrophobicContact CB-CG1 4.23Å; L565-V579 HydrophobicContact CD1-CG1 4.13Å; L565-V579 HydrophobicContact CD2-CG1 4.18Å; L565-V579 HydrophobicContact CG-CG1 4.41Å; V566-V579 CarbonylContact O-C 3.59Å; V566-V579 WeakPolarHBondContact O-CA 3.46Å; K567-V579 HydrophobicContact CG-CG2 4.35Å; V576-V579 HydrophobicContact CG1-CG2 3.76Å
580	G	90.8	Very high	92.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	172.5	0	0	0	0	0	112.2	L565 V566	L565-G580 WeakPolarHBondContact CA-O 3.33Å; V566-G580 PolarHBondContact N-O 3.25Å; V566-G580 PolarHBondContact O-N 3.08Å
581	V	88	Confident	92.1	Very high	65 Å²	65	33.5 Å²	33.5	39%	0.394	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	175.8	-177.4	0	0	0	0	108.3	H58 L565	H58-V581 PolarHBondContact CE1-O 3.14Å; L565-V581 HydrophobicContact CD2-CB 4.42Å; L565-V581 HydrophobicContact CD2-CG2 3.71Å
582	G	83.6	Confident	92.1	Very high	6 Å²	6	33 Å²	33	6%	0.062	19%	0.192	C	C	.	.			trans	-176.7	-35.5	177.4	0	0	0	0	0	115
583	H	88.2	Confident	92	Very high	5 Å²	5	29 Å²	29	2%	0.023	16%	0.164	C	C	.	.			trans	-71.8	152.9	177.5	-77.2	-60	0	0	0	112.3	I587 S601 S603 L609	H583-I587 HydrophobicContact CB-CG1 4.08Å; H583-I587 VanDerWaalsContact CD2-CG1 3.47Å; H583-I587 WeakPolarHBondContact CD2-CG1 3.47Å; H583-S601 PolarHBondContact NE2-O 2.9Å; H583-S601 PolarHBondContact NE2-OG 3Å; H583-S603 VanDerWaalsContact CE1-CB 3.4Å; H583-S603 WeakPolarHBondContact CE1-CB 3.35Å; H583-S603 WeakPolarHBondContact ND1-CB 3.3Å; H583-L609 HydrophobicContact CB-CD1 4.33Å; H583-L609 VanDerWaalsContact CD2-CD1 3.44Å; H583-L609 WeakPolarHBondContact CD2-CD1 3.29Å; H583-L609 VanDerWaalsContact CE1-CD1 3.45Å; H583-L609 WeakPolarHBondContact CE1-CD1 3.27Å; H583-L609 WeakPolarHBondContact CE1-CG 3.44Å; H583-L609 VanDerWaalsContact CG-CD1 3.5Å; H583-L609 WeakPolarHBondContact ND1-CD1 3.48Å; H583-L609 WeakPolarHBondContact NE2-CD1 3.37Å
584	S	83.4	Confident	91.7	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.035	15%	0.148	C	C	.	.	S	Bend	trans	-123.4	-22.9	179.6	-53.6	0	0	0	0	113.8	G41 C42 N63 K564 D605	G41-S584 WeakPolarHBondContact CA-OG 3.16Å; C42-S584 WeakPolarHBondContact CA-OG 3.09Å; C42-S584 WeakPolarHBondContact CB-OG 3.17Å; C42-S584 PolarHBondContact N-OG 2.82Å; C42-S584 PolarHBondContact SG-OG 3.21Å; N63-S584 WeakPolarHBondContact OD1-CB 2.95Å; K564-S584 VanDerWaalsContact CD-O 3.28Å; K564-S584 WeakPolarHBondContact CD-O 3.46Å; K564-S584 WeakPolarHBondContact CE-O 3.5Å; K564-S584 PolarHBondContact NZ-O 2.83Å; S584-D605 WeakPolarHBondContact CB-OD2 3.42Å; S584-D605 PolarHBondContact N-OD2 2.97Å
585	G	86.9	Confident	91.2	Very high	15 Å²	15	28.1 Å²	28.1	16%	0.155	17%	0.165	C	C	.	.	S	Bend	trans	-85.2	172.6	158.3	0	0	0	0	0	112.4	K564 D605	K564-G585 WeakPolarHBondContact CG-O 3.23Å; G585-D605 PolarHBondContact N-OD2 2.8Å
586	S	92.2	Very high	90.6	Very high	38 Å²	38	22 Å²	22	27%	0.266	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-60.6	135.1	166.1	-66.1	0	0	0	0	110.2	D562 S603 A604	D562-S586 WeakPolarHBondContact OD1-CB 3.34Å; D562-S586 PolarHBondContact OD1-OG 2.9Å; S586-S603 WeakPolarHBondContact O-CA 3.38Å; S586-S603 PolarHBondContact O-OG 2.8Å; S586-A604 PolarHBondContact O-N 2.87Å
587	I	95.9	Very high	90.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.6	171.7	-62.4	159.9	0	0	0	107.6	N546 G561 L565 V566 H583 T602	N546-I587 VanDerWaalsContact CB-O 3.29Å; N546-I587 WeakPolarHBondContact CB-O 3.44Å; N546-I587 PolarHBondContact ND2-O 3.06Å; G561-I587 PolarHBondContact O-N 2.84Å; L565-I587 VanDerWaalsContact C-CD1 3.46Å; L565-I587 WeakPolarHBondContact O-CD1 3.34Å; V566-I587 HydrophobicContact CG2-CD1 3.73Å; H583-I587 HydrophobicContact CB-CG1 4.08Å; H583-I587 VanDerWaalsContact CD2-CG1 3.47Å; H583-I587 WeakPolarHBondContact CD2-CG1 3.47Å; I587-T602 WeakPolarHBondContact CA-O 3.29Å; I587-T602 WeakPolarHBondContact CG2-O 3.24Å
588	T	96	Very high	90	Very high	33 Å²	33	20.8 Å²	20.8	20%	0.202	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-42.6	-176	49.7	0	0	0	0	111.7	V332 T602 A604	V332-T588 VanDerWaalsContact O-CB 3.3Å; V332-T588 WeakPolarHBondContact O-CB 3.42Å; V332-T588 WeakPolarHBondContact O-CG2 3.34Å; V332-T588 PolarHBondContact O-OG1 2.88Å; T588-T602 PolarHBondContact N-O 3.36Å; T588-T602 PolarHBondContact OG1-O 2.97Å; T588-T602 VanDerWaalsContact OG1-O 3.12Å; T588-T602 PolarHBondContact OG1-OG1 3.28Å; T588-A604 HydrophobicContact CG2-CB 4.38Å
589	S	95.8	Very high	90	Very high	16 Å²	16	19.3 Å²	19.3	11%	0.112	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.7	179.7	-169.3	0	0	0	0	110.2	D334 T602	D334-S589 WeakPolarHBondContact OD1-CB 3.31Å; D334-S589 PolarHBondContact OD1-OG 3.31Å; S589-T602 WeakPolarHBondContact CB-OG1 3.19Å; S589-T602 PolarHBondContact N-OG1 2.95Å; S589-T602 PolarHBondContact O-N 3.49Å; S589-T602 PolarHBondContact O-OG1 3.26Å
590	V	96.8	Very high	90.1	Very high	3 Å²	3	18 Å²	18	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138	176.9	61.7	0	0	0	0	108.2	H549 V558 V566 V600	H549-V590 WeakPolarHBondContact CB-O 3.46Å; V558-V590 HydrophobicContact CB-CG2 4.28Å; V558-V590 HydrophobicContact CG2-CB 4.47Å; V558-V590 HydrophobicContact CG2-CG1 3.95Å; V558-V590 HydrophobicContact CG2-CG2 3.76Å; V566-V590 HydrophobicContact CG1-CG2 4.36Å; V590-V600 CarbonylContact C-O 3.59Å; V590-V600 WeakPolarHBondContact CA-O 3.27Å
591	T	95.3	Very high	90.4	Very high	12 Å²	12	18 Å²	18	7%	0.074	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.6	-179.1	-171.9	0	0	0	0	110.9	V335 F337 M599 V600	V335-T591 HydrophobicContact CB-CG2 4.3Å; V335-T591 HydrophobicContact CG1-CG2 3.64Å; V335-T591 HydrophobicContact CG2-CG2 3.81Å; F337-T591 HydrophobicContact CD2-CG2 3.54Å; F337-T591 HydrophobicContact CE2-CG2 3.67Å; T591-M599 CarbonylContact O-C 3.54Å; T591-M599 WeakPolarHBondContact O-CA 3.09Å; T591-V600 HydrophobicContact CG2-CB 4.3Å; T591-V600 PolarHBondContact N-O 2.91Å; T591-V600 PolarHBondContact O-N 3.27Å
592	I	94.3	Very high	90.7	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	178.4	-54	173.3	0	0	0	106.9	H549 V558 M599 Y613	H549-I592 PolarHBondContact ND1-N 3.36Å; V558-I592 HydrophobicContact CB-CD1 4.47Å; V558-I592 HydrophobicContact CG1-CD1 3.76Å; V558-I592 HydrophobicContact CG1-CG1 4Å; V558-I592 HydrophobicContact CG2-CD1 3.91Å; V558-I592 HydrophobicContact CG2-CG1 3.69Å; I592-M599 HydrophobicContact CG1-CG 4.18Å; I592-M599 HydrophobicContact CG1-SD 4.25Å; I592-M599 HydrophobicContact CG2-CG 4.33Å; I592-Y613 HydrophobicContact CD1-CE2 4.19Å; I592-Y613 HydrophobicContact CG2-CD2 4.41Å; I592-Y613 HydrophobicContact CG2-CE2 4.47Å
593	S	91.9	Very high	91.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	10%	0.099	C	C	.	.			trans	-67.3	153.9	176.6	64.9	0	0	0	0	111.4	S342 D595 N596 G597 S598	S342-S593 WeakPolarHBondContact OG-CB 3.38Å; S593-D595 VanDerWaalsContact CB-OD1 3.31Å; S593-D595 WeakPolarHBondContact CB-OD1 3.34Å; S593-D595 PolarHBondContact O-N 3.13Å; S593-D595 PolarHBondContact OG-OD1 3.32Å; S593-N596 PolarHBondContact O-N 2.84Å; S593-G597 PolarHBondContact OG-N 2.73Å; S593-S598 WeakPolarHBondContact CB-O 3.27Å; S593-S598 WeakPolarHBondContact CB-OG 3.22Å; S593-S598 PolarHBondContact N-O 3.41Å; S593-S598 PolarHBondContact OG-N 3.44Å; S593-S598 PolarHBondContact OG-O 3.25Å; S593-S598 PolarHBondContact OG-OG 2.92Å
594	S	84.6	Confident	91.4	Very high	42 Å²	42	16.6 Å²	16.6	29%	0.294	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.7	-173.4	-67.8	0	0	0	0	113.6	G340 S342 N596	G340-S594 PolarHBondContact N-OG 3.28Å; S342-S594 PolarHBondContact OG-N 2.84Å; S594-N596 VanDerWaalsContact C-N 3.31Å
595	D	82.3	Confident	91.5	Very high	85 Å²	85	18.5 Å²	18.5	46%	0.455	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.8	176.3	66.6	-16.6	0	0	0	114.2	S342 S593 G597 S617	S342-D595 VanDerWaalsContact CB-CG 3.42Å; S342-D595 VanDerWaalsContact CB-OD1 3.3Å; S342-D595 WeakPolarHBondContact CB-OD1 3.37Å; S342-D595 WeakPolarHBondContact CB-OD2 3.42Å; S342-D595 WeakPolarHBondContact OG-CB 3.5Å; S342-D595 PolarHBondContact OG-N 2.78Å; S342-D595 VanDerWaalsContact OG-N 3.1Å; S342-D595 PolarHBondContact OG-OD1 2.81Å; S342-D595 PolarHBondContact OG-OD2 2.83Å; S593-D595 VanDerWaalsContact CB-OD1 3.31Å; S593-D595 WeakPolarHBondContact CB-OD1 3.34Å; S593-D595 PolarHBondContact O-N 3.13Å; S593-D595 PolarHBondContact OG-OD1 3.32Å; D595-G597 PolarHBondContact O-N 3.49Å; D595-G597 PolarHBondContact OD1-N 3.21Å; D595-S617 PolarHBondContact O-OG 2.91Å
596	N	80.9	Confident	91.6	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.048	12%	0.119	C	C	.	.	S	Bend	trans	51.7	30.2	-169.2	-56.2	-46.8	0	0	0	113.2	S593 S594 Y613 S617	S593-N596 PolarHBondContact O-N 2.84Å; S594-N596 VanDerWaalsContact C-N 3.31Å; N596-Y613 HydrophobicContact CB-CD1 3.73Å; N596-Y613 HydrophobicContact CB-CE1 3.75Å; N596-Y613 WeakPolarHBondContact O-CB 3.35Å; N596-Y613 WeakPolarHBondContact O-CD1 3.47Å; N596-S617 PolarHBondContact ND2-OG 3.41Å
597	G	83.8	Confident	91.6	Very high	30 Å²	30	16.1 Å²	16.1	31%	0.309	11%	0.108	S	C	.	.	S	Bend	trans	-86.8	-34.3	175.2	0	0	0	0	0	112.5	S593 D595 Y613	S593-G597 PolarHBondContact OG-N 2.73Å; D595-G597 PolarHBondContact O-N 3.49Å; D595-G597 PolarHBondContact OD1-N 3.21Å; G597-Y613 PolarHBondContact O-N 3.11Å; G597-Y613 VanDerWaalsContact O-N 3.16Å
598	S	90.8	Very high	91.6	Very high	8 Å²	8	16.3 Å²	16.3	6%	0.056	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	164	-172.2	68.5	0	0	0	0	112.2	S593 W611	S593-S598 WeakPolarHBondContact CB-O 3.27Å; S593-S598 WeakPolarHBondContact CB-OG 3.22Å; S593-S598 PolarHBondContact N-O 3.41Å; S593-S598 PolarHBondContact OG-N 3.44Å; S593-S598 PolarHBondContact OG-O 3.25Å; S593-S598 PolarHBondContact OG-OG 2.92Å; S598-W611 CarbonylContact C-O 3.56Å; S598-W611 VanDerWaalsContact CA-O 3.32Å; S598-W611 WeakPolarHBondContact CA-O 3.46Å
599	M	94.3	Very high	91.5	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.4	172.4	-52.1	-175.2	-67.9	0	0	109.3	L11 V558 V568 T591 I592 R610 W611 Y613	L11-M599 HydrophobicContact CD1-CE 3.57Å; L11-M599 HydrophobicContact CD2-CE 3.41Å; L11-M599 VanDerWaalsContact CD2-CE 3.41Å; L11-M599 HydrophobicContact CG-CE 4.03Å; V558-M599 HydrophobicContact CB-SD 4.49Å; V558-M599 HydrophobicContact CG1-SD 3.44Å; V558-M599 WeakPolarHBondContact CG1-SD 3.36Å; V568-M599 HydrophobicContact CG2-CE 3.86Å; V568-M599 HydrophobicContact CG2-SD 4.29Å; T591-M599 CarbonylContact O-C 3.54Å; T591-M599 WeakPolarHBondContact O-CA 3.09Å; I592-M599 HydrophobicContact CG1-CG 4.18Å; I592-M599 HydrophobicContact CG1-SD 4.25Å; I592-M599 HydrophobicContact CG2-CG 4.33Å; M599-R610 CarbonylContact O-C 3.59Å; M599-R610 VanDerWaalsContact O-CA 3.31Å; M599-R610 WeakPolarHBondContact O-CA 3.31Å; M599-W611 HydrophobicContact CB-CB 4.4Å; M599-W611 HydrophobicContact CE-CB 4.01Å; M599-W611 PolarHBondContact N-O 3.03Å; M599-W611 PolarHBondContact O-N 3.12Å; M599-Y613 HydrophobicContact CE-CD2 4.33Å; M599-Y613 HydrophobicContact CG-CD2 3.75Å; M599-Y613 HydrophobicContact CG-CG 4.33Å; M599-Y613 HydrophobicContact SD-CD2 3.46Å; M599-Y613 WeakPolarHBondContact SD-CD2 3.29Å; M599-Y613 HydrophobicContact SD-CE2 4.06Å
600	V	96.5	Very high	91.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.4	177.3	-179.3	0	0	0	0	109	V335 F337 F345 V590 T591 V608 L609 R610	V335-V600 HydrophobicContact CG2-CB 4.29Å; V335-V600 HydrophobicContact CG2-CG1 3.88Å; F337-V600 HydrophobicContact CE2-CB 4.15Å; F337-V600 HydrophobicContact CE2-CG2 3.76Å; F337-V600 HydrophobicContact CZ-CB 4.47Å; F337-V600 HydrophobicContact CZ-CG2 3.61Å; F345-V600 HydrophobicContact CD1-CG2 4.25Å; F345-V600 HydrophobicContact CD2-CG1 4.39Å; F345-V600 HydrophobicContact CE1-CG2 4.25Å; F345-V600 HydrophobicContact CE2-CG1 4.15Å; F345-V600 HydrophobicContact CZ-CG1 4.41Å; V590-V600 CarbonylContact C-O 3.59Å; V590-V600 WeakPolarHBondContact CA-O 3.27Å; T591-V600 HydrophobicContact CG2-CB 4.3Å; T591-V600 PolarHBondContact N-O 2.91Å; T591-V600 PolarHBondContact O-N 3.27Å; V600-V608 HydrophobicContact CG1-CG1 3.44Å; V600-V608 VanDerWaalsContact CG1-CG1 3.44Å; V600-L609 WeakPolarHBondContact CA-O 3.47Å; V600-R610 HydrophobicContact CG2-CG 4.29Å
601	S	96.4	Very high	91.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.2	175.4	60	0	0	0	0	110	H583 V608 L609 W611	H583-S601 PolarHBondContact NE2-O 2.9Å; H583-S601 PolarHBondContact NE2-OG 3Å; S601-V608 WeakPolarHBondContact O-CA 3.2Å; S601-L609 PolarHBondContact N-O 3.25Å; S601-L609 PolarHBondContact O-N 2.63Å; S601-L609 PolarHBondContact OG-O 2.92Å; S601-W611 PolarHBondContact OG-NE1 3.14Å
602	T	95.8	Very high	91.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151	-178.9	56.8	0	0	0	0	110.6	V332 V335 T347 I587 T588 S589 V608	V332-T602 HydrophobicContact CB-CG2 4.25Å; V332-T602 HydrophobicContact CG1-CG2 3.53Å; V335-T602 HydrophobicContact CB-CG2 3.73Å; V335-T602 HydrophobicContact CG1-CG2 3.88Å; V335-T602 HydrophobicContact CG2-CG2 4.47Å; T347-T602 HydrophobicContact CG2-CG2 4.22Å; I587-T602 WeakPolarHBondContact CA-O 3.29Å; I587-T602 WeakPolarHBondContact CG2-O 3.24Å; T588-T602 PolarHBondContact N-O 3.36Å; T588-T602 PolarHBondContact OG1-O 2.97Å; T588-T602 VanDerWaalsContact OG1-O 3.12Å; T588-T602 PolarHBondContact OG1-OG1 3.28Å; S589-T602 WeakPolarHBondContact CB-OG1 3.19Å; S589-T602 PolarHBondContact N-OG1 2.95Å; S589-T602 PolarHBondContact O-N 3.49Å; S589-T602 PolarHBondContact O-OG1 3.26Å; T602-V608 HydrophobicContact CG2-CG1 4.17Å; T602-V608 HydrophobicContact CG2-CG2 4.18Å
603	S	94.1	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.2	-173.8	161.4	0	0	0	0	112.9	V332 H583 S586 D605 G606 A607	V332-S603 PolarHBondContact N-O 3.02Å; H583-S603 VanDerWaalsContact CE1-CB 3.4Å; H583-S603 WeakPolarHBondContact CE1-CB 3.35Å; H583-S603 WeakPolarHBondContact ND1-CB 3.3Å; S586-S603 WeakPolarHBondContact O-CA 3.38Å; S586-S603 PolarHBondContact O-OG 2.8Å; S603-D605 WeakPolarHBondContact CB-OD1 3.41Å; S603-D605 PolarHBondContact O-N 3.07Å; S603-D605 PolarHBondContact OG-N 2.69Å; S603-D605 PolarHBondContact OG-OD1 3.25Å; S603-D605 PolarHBondContact OG-OD2 3.37Å; S603-G606 PolarHBondContact O-N 2.71Å; S603-G606 VanDerWaalsContact O-N 3.15Å; S603-A607 PolarHBondContact N-O 2.81Å; S603-A607 VanDerWaalsContact N-O 3.16Å
604	A	91.8	Very high	91.1	Very high	46 Å²	46	22.5 Å²	22.5	38%	0.38	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.3	174.7	0	0	0	0	0	113.6	A331 S586 T588 G606	A331-A604 WeakPolarHBondContact CA-O 3.5Å; A331-A604 HydrophobicContact CB-CB 4.32Å; S586-A604 PolarHBondContact O-N 2.87Å; T588-A604 HydrophobicContact CG2-CB 4.38Å; A604-G606 VanDerWaalsContact C-N 3.28Å
605	D	85.9	Confident	91.1	Very high	45 Å²	45	23.7 Å²	23.7	24%	0.241	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.9	174.8	62.5	7.7	0	0	0	114.2	S584 G585 S603 A607	S584-D605 WeakPolarHBondContact CB-OD2 3.42Å; S584-D605 PolarHBondContact N-OD2 2.97Å; G585-D605 PolarHBondContact N-OD2 2.8Å; S603-D605 WeakPolarHBondContact CB-OD1 3.41Å; S603-D605 PolarHBondContact O-N 3.07Å; S603-D605 PolarHBondContact OG-N 2.69Å; S603-D605 PolarHBondContact OG-OD1 3.25Å; S603-D605 PolarHBondContact OG-OD2 3.37Å; D605-A607 VanDerWaalsContact C-N 3.29Å; D605-A607 WeakPolarHBondContact OD1-CB 3.45Å; D605-A607 PolarHBondContact OD1-N 3.02Å
606	G	88.8	Confident	90.6	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	85.1	-1.7	-179.8	0	0	0	0	0	114.2	S330 S603 A604	S330-G606 VanDerWaalsContact O-CA 3.25Å; S330-G606 WeakPolarHBondContact O-CA 3.48Å; S603-G606 PolarHBondContact O-N 2.71Å; S603-G606 VanDerWaalsContact O-N 3.15Å; A604-G606 VanDerWaalsContact C-N 3.28Å
607	A	91.6	Very high	89.8	Confident	2 Å²	2	26.5 Å²	26.5	2%	0.017	15%	0.154	C	C	.	.			trans	-79	139.9	178.6	0	0	0	0	0	112	L40 S603 D605	L40-A607 HydrophobicContact CD1-CB 4.41Å; L40-A607 HydrophobicContact CD2-CB 3.57Å; L40-A607 HydrophobicContact CG-CB 4.03Å; S603-A607 PolarHBondContact N-O 2.81Å; S603-A607 VanDerWaalsContact N-O 3.16Å; D605-A607 VanDerWaalsContact C-N 3.29Å; D605-A607 WeakPolarHBondContact OD1-CB 3.45Å; D605-A607 PolarHBondContact OD1-N 3.02Å
608	V	95.1	Very high	88.1	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.4	165.6	-173.1	0	0	0	0	107.8	I17 V332 F345 T347 V600 S601 T602	I17-V608 HydrophobicContact CB-CB 4.16Å; I17-V608 PolarHBondContact N-O 3.3Å; I17-V608 PolarHBondContact O-N 3.43Å; V332-V608 HydrophobicContact CG2-CG2 4.22Å; F345-V608 HydrophobicContact CE2-CG1 3.96Å; F345-V608 HydrophobicContact CZ-CG1 4.21Å; T347-V608 HydrophobicContact CG2-CG1 4.43Å; T347-V608 HydrophobicContact CG2-CG2 4.24Å; V600-V608 HydrophobicContact CG1-CG1 3.44Å; V600-V608 VanDerWaalsContact CG1-CG1 3.44Å; S601-V608 WeakPolarHBondContact O-CA 3.2Å; T602-V608 HydrophobicContact CG2-CG1 4.17Å; T602-V608 HydrophobicContact CG2-CG2 4.18Å
609	L	94.9	Very high	85.9	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128	-179	-59.1	178	0	0	0	109.1	L13 V16 H583 V600 S601 W611	L13-L609 HydrophobicContact CD1-CB 3.82Å; L13-L609 HydrophobicContact CD1-CD2 4.06Å; L13-L609 HydrophobicContact CD1-CG 4.36Å; L13-L609 HydrophobicContact CD2-CD2 4.41Å; V16-L609 HydrophobicContact CB-CD2 3.9Å; V16-L609 HydrophobicContact CG1-CD2 3.57Å; V16-L609 HydrophobicContact CG2-CD2 3.28Å; H583-L609 HydrophobicContact CB-CD1 4.33Å; H583-L609 VanDerWaalsContact CD2-CD1 3.44Å; H583-L609 WeakPolarHBondContact CD2-CD1 3.29Å; H583-L609 VanDerWaalsContact CE1-CD1 3.45Å; H583-L609 WeakPolarHBondContact CE1-CD1 3.27Å; H583-L609 WeakPolarHBondContact CE1-CG 3.44Å; H583-L609 VanDerWaalsContact CG-CD1 3.5Å; H583-L609 WeakPolarHBondContact ND1-CD1 3.48Å; H583-L609 WeakPolarHBondContact NE2-CD1 3.37Å; V600-L609 WeakPolarHBondContact CA-O 3.47Å; S601-L609 PolarHBondContact N-O 3.25Å; S601-L609 PolarHBondContact O-N 2.63Å; S601-L609 PolarHBondContact OG-O 2.92Å; L609-W611 HydrophobicContact CB-CZ2 3.91Å; L609-W611 HydrophobicContact CD1-CH2 4.15Å; L609-W611 HydrophobicContact CD1-CZ2 3.52Å; L609-W611 HydrophobicContact CG-CZ2 4.34Å
610	R	94.9	Very high	85.5	Confident	35 Å²	35	41.4 Å²	41.4	13%	0.132	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.5	172.4	-173.7	178.5	65.5	144.4	-2.7	109.8	L13 E14 A15 A358 E359 M599 V600	L13-R610 WeakPolarHBondContact CD1-O 3.18Å; E14-R610 PolarHBondContact N-O 2.79Å; E14-R610 IonicContact OE2-CZ 2.79Å; E14-R610 IonicContact OE2-NE 3.1Å; E14-R610 IonicContact OE2-NH1 3.61Å; A15-R610 HydrophobicContact CB-CB 4.32Å; A15-R610 PolarHBondContact N-O 3.36Å; A15-R610 PolarHBondContact O-N 3.4Å; A358-R610 PolarHBondContact O-NE 2.85Å; A358-R610 PolarHBondContact O-NH1 3.21Å; A358-R610 VanDerWaalsContact O-NH1 3.14Å; E359-R610 PolarHBondContact O-NH2 3.41Å; M599-R610 CarbonylContact O-C 3.59Å; M599-R610 VanDerWaalsContact O-CA 3.31Å; M599-R610 WeakPolarHBondContact O-CA 3.31Å; V600-R610 HydrophobicContact CG2-CG 4.29Å
611	W	94.4	Very high	84.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	151.2	-177.6	-49.2	90	0	0	0	110.2	L11 E12 L13 V566 S598 M599 S601 L609	L11-W611 HydrophobicContact CB-CE3 4.15Å; L11-W611 HydrophobicContact CD2-CB 3.56Å; L11-W611 HydrophobicContact CD2-CD2 3.57Å; L11-W611 HydrophobicContact CD2-CE3 3.64Å; L11-W611 HydrophobicContact CD2-CG 3.54Å; L11-W611 HydrophobicContact CD2-CZ3 4.5Å; L11-W611 HydrophobicContact CG-CB 3.94Å; L11-W611 HydrophobicContact CG-CD2 4.26Å; L11-W611 HydrophobicContact CG-CE3 3.9Å; L11-W611 HydrophobicContact CG-CG 4.31Å; E12-W611 WeakPolarHBondContact O-CA 3.28Å; L13-W611 HydrophobicContact CB-CE3 3.78Å; L13-W611 HydrophobicContact CB-CH2 4.43Å; L13-W611 HydrophobicContact CB-CZ3 3.64Å; L13-W611 HydrophobicContact CD1-CD2 3.85Å; L13-W611 HydrophobicContact CD1-CE3 3.74Å; L13-W611 HydrophobicContact CD1-CH2 3.92Å; L13-W611 HydrophobicContact CD1-CZ2 4.04Å; L13-W611 HydrophobicContact CD1-CZ3 3.78Å; L13-W611 HydrophobicContact CD2-CZ3 4.5Å; L13-W611 HydrophobicContact CG-CE3 4.35Å; L13-W611 HydrophobicContact CG-CZ3 4.17Å; V566-W611 HydrophobicContact CG2-CZ2 4.17Å; S598-W611 CarbonylContact C-O 3.56Å; S598-W611 VanDerWaalsContact CA-O 3.32Å; S598-W611 WeakPolarHBondContact CA-O 3.46Å; M599-W611 HydrophobicContact CB-CB 4.4Å; M599-W611 HydrophobicContact CE-CB 4.01Å; M599-W611 PolarHBondContact N-O 3.03Å; M599-W611 PolarHBondContact O-N 3.12Å; S601-W611 PolarHBondContact OG-NE1 3.14Å; L609-W611 HydrophobicContact CB-CZ2 3.91Å; L609-W611 HydrophobicContact CD1-CH2 4.15Å; L609-W611 HydrophobicContact CD1-CZ2 3.52Å; L609-W611 HydrophobicContact CG-CZ2 4.34Å
612	R	93.5	Very high	84.3	Confident	118 Å²	118	45.9 Å²	45.9	45%	0.445	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.4	166.2	-178.2	163.6	-67.7	-167.3	-1.8	109.2	L11 E12 E14	L11-R612 VanDerWaalsContact CD1-O 3.31Å; L11-R612 WeakPolarHBondContact CD1-O 3.42Å; E12-R612 HydrophobicContact CB-CB 4.08Å; E12-R612 PolarHBondContact O-N 2.85Å; E12-R612 WeakPolarHBondContact OE2-CD 3.29Å; E12-R612 IonicContact OE2-CZ 2.79Å; E12-R612 IonicContact OE2-NE 3.69Å; E12-R612 IonicContact OE2-NH1 2.71Å; E14-R612 HydrophobicContact CG-CB 3.93Å; E14-R612 IonicContact OE1-CZ 3.62Å; E14-R612 VanDerWaalsContact OE1-CZ 3.32Å; E14-R612 IonicContact OE1-NE 3.32Å; E14-R612 PolarHBondContact OE1-NE 3.49Å; E14-R612 IonicContact OE1-NH2 3.06Å; E14-R612 PolarHBondContact OE1-NH2 2.86Å
613	Y	91.9	Very high	83.6	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.016	29%	0.29	C	S	.	.			trans	-75.5	125.7	169.9	-173.4	-118.2	0	0	0	109.6	S551 H556 V568 I592 N596 G597 M599 H615	S551-Y613 WeakPolarHBondContact CB-OH 3.05Å; H556-Y613 VanDerWaalsContact CB-OH 3.29Å; H556-Y613 WeakPolarHBondContact CB-OH 3.43Å; H556-Y613 PolarHBondContact CD2-OH 3.02Å; V568-Y613 HydrophobicContact CG1-CE2 4.4Å; I592-Y613 HydrophobicContact CD1-CE2 4.19Å; I592-Y613 HydrophobicContact CG2-CD2 4.41Å; I592-Y613 HydrophobicContact CG2-CE2 4.47Å; N596-Y613 HydrophobicContact CB-CD1 3.73Å; N596-Y613 HydrophobicContact CB-CE1 3.75Å; N596-Y613 WeakPolarHBondContact O-CB 3.35Å; N596-Y613 WeakPolarHBondContact O-CD1 3.47Å; G597-Y613 PolarHBondContact O-N 3.11Å; G597-Y613 VanDerWaalsContact O-N 3.16Å; M599-Y613 HydrophobicContact CE-CD2 4.33Å; M599-Y613 HydrophobicContact CG-CD2 3.75Å; M599-Y613 HydrophobicContact CG-CG 4.33Å; M599-Y613 HydrophobicContact SD-CD2 3.46Å; M599-Y613 WeakPolarHBondContact SD-CD2 3.29Å; M599-Y613 HydrophobicContact SD-CE2 4.06Å; Y613-H615 VanDerWaalsContact C-N 3.29Å; Y613-H615 VanDerWaalsContact CD1-C 3.47Å; Y613-H615 HydrophobicContact CD1-CB 4.37Å; Y613-H615 WeakPolarHBondContact CD1-O 3.43Å; Y613-H615 HydrophobicContact CE1-CB 3.86Å; Y613-H615 WeakPolarHBondContact CE1-O 3.02Å; Y613-H615 PolarHBondContact O-N 3.13Å
614	P	90.3	Very high	82.9	Confident	36 Å²	36	51.7 Å²	51.7	23%	0.234	31%	0.308	C	S	.	.	S	Bend	trans	-75.8	-16.1	-171.8	27.5	-33.5	0	0	0	114	L11 V568 H578 P616	L11-P614 HydrophobicContact CD1-CG 4.15Å; V568-P614 HydrophobicContact CG1-CG 4.36Å; V568-P614 HydrophobicContact CG2-CG 4.38Å; H578-P614 HydrophobicContact CB-CG 4.34Å; H578-P614 WeakPolarHBondContact CE1-CB 3.34Å; H578-P614 WeakPolarHBondContact ND1-CG 3.34Å; H578-P614 WeakPolarHBondContact NE2-CB 3.44Å; P614-P616 VanDerWaalsContact O-CD 3.29Å; P614-P616 WeakPolarHBondContact O-CD 3.3Å
615	H	85.8	Confident	82.3	Confident	68 Å²	68	52.1 Å²	52.1	32%	0.315	30%	0.303	S	S	.	.	S	Bend	trans	-120.2	59.3	-175.5	-57.9	-63.1	0	0	0	111.4	H556 T577 H578 Y613 S617	H556-H615 AromaticContact CD2-CD2 3.56Å; H556-H615 AromaticContact CD2-CG 3.77Å; H556-H615 AromaticContact CE1-CD2 3.68Å; H556-H615 AromaticContact CE1-NE2 3.93Å; H556-H615 AromaticContact CG-CD2 3.97Å; H556-H615 AromaticContact NE2-CD2 3.35Å; H556-H615 PolarHBondContact NE2-CD2 3.18Å; H556-H615 VanDerWaalsContact NE2-CD2 3.35Å; H556-H615 AromaticContact NE2-CG 3.42Å; H556-H615 AromaticContact NE2-NE2 3.97Å; T577-H615 PolarHBondContact OG1-NE2 3.44Å; H578-H615 AromaticContact CE1-CE1 3.93Å; H578-H615 AromaticContact CE1-NE2 3.7Å; H578-H615 AromaticContact ND1-NE2 3.76Å; Y613-H615 VanDerWaalsContact C-N 3.29Å; Y613-H615 VanDerWaalsContact CD1-C 3.47Å; Y613-H615 HydrophobicContact CD1-CB 4.37Å; Y613-H615 WeakPolarHBondContact CD1-O 3.43Å; Y613-H615 HydrophobicContact CE1-CB 3.86Å; Y613-H615 WeakPolarHBondContact CE1-O 3.02Å; Y613-H615 PolarHBondContact O-N 3.13Å; H615-S617 PolarHBondContact O-N 3.34Å
616	P	71.8	Confident	82.1	Confident	86 Å²	86	52.6 Å²	52.6	56%	0.558	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-57.6	137	-178.5	26.9	-34.2	0	0	0	109.9	P614 S618	P614-P616 VanDerWaalsContact O-CD 3.29Å; P614-P616 WeakPolarHBondContact O-CD 3.3Å; P616-S618 PolarHBondContact O-N 3.36Å
617	S	63.2	Low	81.6	Confident	67 Å²	67	56.5 Å²	56.5	47%	0.469	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-57	125.2	171.4	17.7	0	0	0	0	108.6	D595 N596 H615	D595-S617 PolarHBondContact O-OG 2.91Å; N596-S617 PolarHBondContact ND2-OG 3.41Å; H615-S617 PolarHBondContact O-N 3.34Å
618	S	47.8	Very low	80.7	Confident	107 Å²	107	61 Å²	61	75%	0.748	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-56.4	135	169.3	48.1	0	0	0	0	109	P616	P616-S618 PolarHBondContact O-N 3.36Å
619	P	45.4	Very low	79.4	Confident	201 Å²	201	66.3 Å²	66.3	100%	1.305	39%	0.387	S	S	*	.			trans	-61.8	0	-175.5	25.5	-34.5	0	0	0	113.9

Retrieved 619 of 619 residues in 164.7 ms (Link to these results)

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