G7Q0B3_MACFA Loading...

WD repeat-containing protein 58

Component of the THO subcomplex of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and which specifically associates with spliced mRNA and not with unspliced pre-mRNA. Plays a key structural role in the oligomerization of the THO-DDX39B complex. TREX is recruited to spliced mRNAs by a transcription-independent mechanism, binds to mRNA upstream of the exon-junction complex (EJC) and is recruited in a splicing- and cap-dependent manner to a region near the 5' end of the mRNA where it functions in mRNA export to the cytoplasm via the TAP/NXF1 pathway. Plays a role in apoptosis negative control involved in brain development.

AlphaFold DB , UniProt , Accession G7Q0B3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene THOC6, Length 341 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	38.2	Very low	63.7	Low	243 Å²	243	142.6 Å²	142.6	100%	1.197	78%	0.783	S	S	*	*				0	88.3	0	-82.3	-179.6	176.1	0	0	107.5	R3	M1-R3 PolarHBondContact O-N 3.08Å
2	E	38.7	Very low	65.7	Low	199 Å²	199	132.9 Å²	132.9	93%	0.93	74%	0.74	S	S	*	*			trans	-69	119.5	165.6	-78.7	176.6	150.5	0	0	107.3	A4	E2-A4 PolarHBondContact O-N 3.34Å; E2-A4 VanDerWaalsContact O-N 3.16Å
3	R	38.9	Very low	67.5	Low	238 Å²	238	136.6 Å²	136.6	90%	0.898	75%	0.748	S	S	*	*			trans	-62.9	115.6	169.4	-79.6	179.7	172.8	177.8	-2.5	106.7	M1 V5	M1-R3 PolarHBondContact O-N 3.08Å; R3-V5 PolarHBondContact O-N 3.4Å
4	A	52.8	Low	69.1	Low	97 Å²	97	134.1 Å²	134.1	80%	0.802	74%	0.739	S	S	*	*			trans	-57.2	111.1	170.4	0	0	0	0	0	108.1	E2	E2-A4 PolarHBondContact O-N 3.34Å; E2-A4 VanDerWaalsContact O-N 3.16Å
5	V	63.8	Low	70.3	Confident	122 Å²	122	131.3 Å²	131.3	74%	0.739	72%	0.719	S	S	*	*			trans	-73.1	125.8	175.9	-178.8	0	0	0	0	107.2	R3 L7	R3-V5 PolarHBondContact O-N 3.4Å; V5-L7 PolarHBondContact O-N 2.81Å
6	P	66.8	Low	71.7	Confident	97 Å²	97	126.9 Å²	126.9	63%	0.63	70%	0.697	S	S	*	*			trans	-70.8	105.9	-179.4	27.7	-32.1	0	0	0	109.5	V9	P6-V9 HydrophobicContact CB-CG2 4.13Å
7	L	72.2	Confident	72.7	Confident	178 Å²	178	126.6 Å²	126.6	93%	0.932	69%	0.687	S	S	*	*	S	Bend	trans	-78.2	-24	178.6	-130.7	119.4	0	0	0	112.5	V5	V5-L7 PolarHBondContact O-N 2.81Å
8	A	77.3	Confident	73.7	Confident	90 Å²	90	124.9 Å²	124.9	74%	0.744	67%	0.674	S	S	*	*			trans	-143.1	121.7	175.6	0	0	0	0	0	109.6
9	V	83.3	Confident	74.5	Confident	95 Å²	95	120.2 Å²	120.2	58%	0.576	65%	0.654	S	S	*	*			trans	-103.7	119.2	177	-179.5	0	0	0	0	107.8	P6 L11	P6-V9 HydrophobicContact CB-CG2 4.13Å; V9-L11 HydrophobicContact CG1-CD2 4.28Å; V9-L11 PolarHBondContact O-N 3.38Å
10	P	83.9	Confident	75.4	Confident	51 Å²	51	118.4 Å²	118.4	33%	0.331	64%	0.643	S	S	.	*			trans	-67.3	130.2	174.5	28.2	-32.5	0	0	0	109.3	E15 V16 A19	P10-E15 HydrophobicContact CB-CB 3.61Å; P10-V16 HydrophobicContact CB-CG2 3.9Å; P10-V16 HydrophobicContact CG-CG2 3.93Å; P10-A19 HydrophobicContact CG-CB 4.36Å
11	L	85.3	Confident	76.2	Confident	159 Å²	159	115.6 Å²	115.6	83%	0.832	63%	0.626	S	S	*	*			trans	-109.3	-13.8	-176.1	-65	174.7	0	0	0	112.6	V9 E15	V9-L11 HydrophobicContact CG1-CD2 4.28Å; V9-L11 PolarHBondContact O-N 3.38Å; L11-E15 PolarHBondContact N-OE2 2.88Å
12	G	87.6	Confident	78.7	Confident	26 Å²	26	108.5 Å²	108.5	27%	0.268	59%	0.586	S	S	.	*	S	Bend	trans	-109.6	153.5	177.1	0	0	0	0	0	114	T14 E15 V16	G12-T14 VanDerWaalsContact C-N 3.26Å; G12-T14 PolarHBondContact O-N 2.85Å; G12-E15 PolarHBondContact N-OE2 3.47Å; G12-E15 PolarHBondContact O-N 2.81Å; G12-E15 VanDerWaalsContact O-N 3.12Å; G12-V16 WeakPolarHBondContact O-CG2 3.11Å; G12-V16 PolarHBondContact O-N 3.25Å
13	Q	88.8	Confident	81.3	Confident	181 Å²	181	105.2 Å²	105.2	85%	0.846	57%	0.574	S	S	*	*	H	α-helix	trans	-55	-40.9	177.7	-175.2	-178.5	6.8	0	0	112.6	F17	Q13-F17 WeakPolarHBondContact O-CB 3.34Å; Q13-F17 PolarHBondContact O-N 2.84Å
14	T	89.7	Confident	84	Confident	101 Å²	101	99.4 Å²	99.4	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-42.7	177.4	43.7	0	0	0	0	112.2	G12 F17 Q18	G12-T14 VanDerWaalsContact C-N 3.26Å; G12-T14 PolarHBondContact O-N 2.85Å; T14-F17 PolarHBondContact O-N 3Å; T14-Q18 WeakPolarHBondContact O-CG 3.46Å; T14-Q18 PolarHBondContact O-N 2.84Å
15	E	87.8	Confident	86.1	Confident	93 Å²	93	95.2 Å²	95.2	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.9	-61.9	179.7	164.6	0	0	111.8	P10 L11 G12 Q18 A19	P10-E15 HydrophobicContact CB-CB 3.61Å; L11-E15 PolarHBondContact N-OE2 2.88Å; G12-E15 PolarHBondContact N-OE2 3.47Å; G12-E15 PolarHBondContact O-N 2.81Å; G12-E15 VanDerWaalsContact O-N 3.12Å; E15-Q18 PolarHBondContact O-N 3.04Å; E15-A19 WeakPolarHBondContact O-CB 3.23Å; E15-A19 PolarHBondContact O-N 2.85Å
16	V	91.3	Very high	87.7	Confident	61 Å²	61	90.5 Å²	90.5	37%	0.37	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-46.9	174	172.7	0	0	0	0	109.9	P10 G12 Q18 A19 L20	P10-V16 HydrophobicContact CB-CG2 3.9Å; P10-V16 HydrophobicContact CG-CG2 3.93Å; G12-V16 WeakPolarHBondContact O-CG2 3.11Å; G12-V16 PolarHBondContact O-N 3.25Å; V16-Q18 PolarHBondContact O-N 3.47Å; V16-A19 WeakPolarHBondContact O-CB 3.41Å; V16-A19 PolarHBondContact O-N 3.5Å; V16-A19 VanDerWaalsContact O-N 3.16Å; V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.43Å; V16-L20 WeakPolarHBondContact O-CG 3.4Å; V16-L20 PolarHBondContact O-N 2.86Å
17	F	90.1	Very high	89.2	Confident	121 Å²	121	85.9 Å²	85.9	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-59.9	-44.8	178.1	-178.4	-104.5	0	0	0	112.1	Q13 T14 A19 L20 Q21	Q13-F17 WeakPolarHBondContact O-CB 3.34Å; Q13-F17 PolarHBondContact O-N 2.84Å; T14-F17 PolarHBondContact O-N 3Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 2.98Å; F17-L20 PolarHBondContact O-N 2.94Å; F17-Q21 HydrophobicContact CD1-CG 4.37Å; F17-Q21 HydrophobicContact CE1-CG 3.98Å; F17-Q21 HydrophobicContact CZ-CG 4.07Å; F17-Q21 PolarHBondContact O-N 2.91Å
18	Q	89.4	Confident	90.4	Very high	96 Å²	96	80.3 Å²	80.3	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175	-71	178.4	4.3	0	0	112.7	T14 E15 V16 L20 Q21 R22	T14-Q18 WeakPolarHBondContact O-CG 3.46Å; T14-Q18 PolarHBondContact O-N 2.84Å; E15-Q18 PolarHBondContact O-N 3.04Å; V16-Q18 PolarHBondContact O-N 3.47Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-Q21 PolarHBondContact O-N 2.96Å; Q18-R22 WeakPolarHBondContact O-CG 3.43Å; Q18-R22 PolarHBondContact O-N 3.24Å
19	A	90.2	Very high	91.4	Very high	35 Å²	35	76.4 Å²	76.4	29%	0.289	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-40.5	174.9	0	0	0	0	0	111.5	P10 E15 V16 F17 R22 L23	P10-A19 HydrophobicContact CG-CB 4.36Å; E15-A19 WeakPolarHBondContact O-CB 3.23Å; E15-A19 PolarHBondContact O-N 2.85Å; V16-A19 WeakPolarHBondContact O-CB 3.41Å; V16-A19 PolarHBondContact O-N 3.5Å; V16-A19 VanDerWaalsContact O-N 3.16Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 2.98Å; A19-R22 PolarHBondContact O-N 2.85Å; A19-L23 WeakPolarHBondContact O-CB 3.28Å; A19-L23 PolarHBondContact O-N 2.91Å
20	L	91.8	Very high	92.1	Very high	84 Å²	84	72.5 Å²	72.5	44%	0.44	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.2	-70.8	172.1	0	0	0	112.1	V16 F17 Q18 R22 L23 H24	V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.43Å; V16-L20 WeakPolarHBondContact O-CG 3.4Å; V16-L20 PolarHBondContact O-N 2.86Å; F17-L20 PolarHBondContact O-N 2.94Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 2.9Å; L20-H24 PolarHBondContact O-N 2.92Å; L20-H24 VanDerWaalsContact O-N 3.09Å; L20-H24 PolarHBondContact O-ND1 3.2Å
21	Q	91.8	Very high	92.7	Very high	60 Å²	60	70.4 Å²	70.4	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-45	175.1	-77.1	-173.1	-34.9	0	0	111.4	F17 Q18 L23 H24 M25 Y45	F17-Q21 HydrophobicContact CD1-CG 4.37Å; F17-Q21 HydrophobicContact CE1-CG 3.98Å; F17-Q21 HydrophobicContact CZ-CG 4.07Å; F17-Q21 PolarHBondContact O-N 2.91Å; Q18-Q21 PolarHBondContact O-N 2.96Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 2.89Å; Q21-H24 CarbonylContact O-C 3.6Å; Q21-H24 PolarHBondContact O-N 3.14Å; Q21-M25 PolarHBondContact O-N 3.23Å; Q21-M25 VanDerWaalsContact O-N 3.09Å; Q21-Y45 HydrophobicContact CB-CE2 4.34Å; Q21-Y45 WeakPolarHBondContact O-CE2 3.34Å; Q21-Y45 PolarHBondContact O-OH 3.34Å
22	R	92.1	Very high	93.3	Very high	95 Å²	95	63.8 Å²	63.8	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-35.9	175.9	-74.1	-173.9	-65.7	-98.7	-0.8	112.9	Q18 A19 L20 H24 M25 C324	Q18-R22 WeakPolarHBondContact O-CG 3.43Å; Q18-R22 PolarHBondContact O-N 3.24Å; A19-R22 PolarHBondContact O-N 2.85Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 3.1Å; R22-H24 VanDerWaalsContact C-N 3.33Å; R22-M25 PolarHBondContact O-N 3.36Å; R22-C324 HydrophobicContact CB-CB 4.32Å; R22-C324 VanDerWaalsContact O-CB 3.31Å; R22-C324 WeakPolarHBondContact O-CB 3.29Å; R22-C324 PolarHBondContact O-SG 2.81Å
23	L	92.3	Very high	93.7	Very high	130 Å²	130	62.6 Å²	62.6	68%	0.681	31%	0.313	S	S	*	.	H	α-helix	trans	-66.6	-36.2	178.2	-175.7	63.4	0	0	0	112.1	A19 L20 Q21	A19-L23 WeakPolarHBondContact O-CB 3.28Å; A19-L23 PolarHBondContact O-N 2.91Å; L20-L23 PolarHBondContact O-N 2.9Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 2.89Å
24	H	94.8	Very high	93.9	Very high	115 Å²	115	55.9 Å²	55.9	53%	0.532	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	17.4	-179.1	-58.5	90.7	0	0	0	113.2	L20 Q21 R22 N44 Y45	L20-H24 PolarHBondContact O-N 2.92Å; L20-H24 VanDerWaalsContact O-N 3.09Å; L20-H24 PolarHBondContact O-ND1 3.2Å; Q21-H24 CarbonylContact O-C 3.6Å; Q21-H24 PolarHBondContact O-N 3.14Å; R22-H24 VanDerWaalsContact C-N 3.33Å; H24-N44 PolarHBondContact O-ND2 2.89Å; H24-Y45 PolarHBondContact O-OH 2.78Å
25	M	97.3	Very high	94.1	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.044	27%	0.271	C	S	.	.			trans	-78.8	138.9	179.5	-169.3	177	-72.4	0	0	110.8	Q21 R22 N43 N44 Y45 S323 C324 F341	Q21-M25 PolarHBondContact O-N 3.23Å; Q21-M25 VanDerWaalsContact O-N 3.09Å; R22-M25 PolarHBondContact O-N 3.36Å; M25-N43 HydrophobicContact CG-CB 4.13Å; M25-N43 HydrophobicContact SD-CB 4.35Å; M25-N44 WeakPolarHBondContact CA-OD1 3.4Å; M25-Y45 HydrophobicContact CB-CE2 4.36Å; M25-Y45 HydrophobicContact CG-CE2 4.49Å; M25-S323 CarbonylContact O-C 3.56Å; M25-S323 PolarHBondContact O-N 2.91Å; M25-C324 HydrophobicContact CB-CB 3.85Å; M25-C324 HydrophobicContact CG-CB 4.27Å; M25-C324 HydrophobicContact SD-CB 3.7Å; M25-F341 HydrophobicContact CE-CB 4.18Å; M25-F341 HydrophobicContact CE-CD1 3.71Å; M25-F341 HydrophobicContact CE-CE1 4.26Å; M25-F341 HydrophobicContact CE-CG 4.05Å; M25-F341 HydrophobicContact SD-CB 3.57Å; M25-F341 VanDerWaalsContact SD-CB 3.57Å; M25-F341 HydrophobicContact SD-CD1 3.82Å; M25-F341 HydrophobicContact SD-CD2 3.95Å; M25-F341 HydrophobicContact SD-CE1 4.44Å; M25-F341 HydrophobicContact SD-CG 3.53Å; M25-F341 VanDerWaalsContact SD-CG 3.53Å
26	T	97.8	Very high	94.4	Very high	23 Å²	23	49 Å²	49	14%	0.141	25%	0.251	C	S	.	.			trans	-125.3	132.1	168	-64.9	0	0	0	0	108.7	F28 N43 N44 L301	T26-F28 HydrophobicContact CG2-CD1 4.16Å; T26-F28 HydrophobicContact CG2-CE1 3.84Å; T26-F28 HydrophobicContact CG2-CE2 4.3Å; T26-F28 HydrophobicContact CG2-CZ 3.92Å; T26-N43 CarbonylContact O-C 3.49Å; T26-N43 VanDerWaalsContact O-CA 3.29Å; T26-N43 WeakPolarHBondContact O-CA 3.12Å; T26-N44 PolarHBondContact N-OD1 2.89Å; T26-N44 PolarHBondContact O-N 3.18Å; T26-N44 PolarHBondContact O-OD1 2.83Å; T26-L301 HydrophobicContact CG2-CD1 3.5Å
27	I	98.3	Very high	94.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.5	174.7	-60.9	170	0	0	0	107.3	A41 G42 A320 G321 S323 V326 F341	I27-A41 HydrophobicContact CG2-CB 4.08Å; I27-G42 WeakPolarHBondContact CA-O 3.32Å; I27-A320 HydrophobicContact CB-CB 3.95Å; I27-A320 HydrophobicContact CG2-CB 3.59Å; I27-G321 PolarHBondContact N-O 2.79Å; I27-S323 WeakPolarHBondContact CG1-O 3.5Å; I27-V326 HydrophobicContact CD1-CG2 3.69Å; I27-F341 HydrophobicContact CD1-CD2 4.28Å; I27-F341 HydrophobicContact CG1-CD2 4.5Å
28	F	97.7	Very high	95	Very high	62 Å²	62	46.4 Å²	46.4	27%	0.272	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-44.7	-175.9	-74.2	-65.6	0	0	0	112.2	T26 G42 N44 P78 V79 Y80 L301	T26-F28 HydrophobicContact CG2-CD1 4.16Å; T26-F28 HydrophobicContact CG2-CE1 3.84Å; T26-F28 HydrophobicContact CG2-CE2 4.3Å; T26-F28 HydrophobicContact CG2-CZ 3.92Å; F28-G42 PolarHBondContact N-O 2.79Å; F28-N44 HydrophobicContact CD2-CB 4.25Å; F28-N44 HydrophobicContact CE2-CB 3.55Å; F28-N44 HydrophobicContact CZ-CB 4.4Å; F28-P78 HydrophobicContact CD2-CB 4.24Å; F28-P78 HydrophobicContact CE2-CB 4.01Å; F28-V79 WeakPolarHBondContact CB-O 3.37Å; F28-Y80 HydrophobicContact CD1-CD1 4.44Å; F28-Y80 HydrophobicContact CD2-CD1 4.38Å; F28-Y80 HydrophobicContact CE2-CE1 4.28Å; F28-Y80 HydrophobicContact CG-CD1 4.31Å; F28-Y80 HydrophobicContact CZ-CE1 4.29Å; F28-L301 HydrophobicContact CD1-CD1 3.72Å; F28-L301 HydrophobicContact CE1-CD1 3.9Å
29	S	97.7	Very high	95.4	Very high	7 Å²	7	42 Å²	42	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.8	-168.6	52.8	0	0	0	0	112.1	A41 G42 V79 Y80 M82	S29-A41 WeakPolarHBondContact O-CA 3.41Å; S29-G42 PolarHBondContact O-N 3.45Å; S29-V79 PolarHBondContact OG-O 3.28Å; S29-Y80 WeakPolarHBondContact CB-O 3.39Å; S29-M82 VanDerWaalsContact O-CE 3.3Å; S29-M82 WeakPolarHBondContact O-CE 3.42Å; S29-M82 WeakPolarHBondContact OG-CE 3.5Å
30	Q	98.3	Very high	95.8	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.6	175.1	-73.3	177.1	89.3	0	0	108.7	L39 A40 S302 S304 T318 A320	Q30-L39 HydrophobicContact CB-CD1 4.47Å; Q30-A40 VanDerWaalsContact CA-O 3.31Å; Q30-A40 WeakPolarHBondContact CA-O 3.21Å; Q30-S302 PolarHBondContact NE2-O 2.88Å; Q30-S302 VanDerWaalsContact NE2-O 3.15Å; Q30-S302 PolarHBondContact NE2-OG 2.95Å; Q30-S304 VanDerWaalsContact CB-OG 3.28Å; Q30-S304 WeakPolarHBondContact CB-OG 3.46Å; Q30-T318 VanDerWaalsContact OE1-CB 3.27Å; Q30-T318 PolarHBondContact OE1-OG1 2.89Å; Q30-A320 HydrophobicContact CG-CB 4.16Å
31	S	97.9	Very high	96.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	138.3	169.1	178.6	0	0	0	0	109.9	A40 S84	S31-A40 PolarHBondContact N-O 3.22Å; S31-A40 PolarHBondContact O-N 2.84Å; S31-S84 VanDerWaalsContact OG-CB 3.32Å; S31-S84 WeakPolarHBondContact OG-CB 3.4Å; S31-S84 PolarHBondContact OG-N 2.81Å; S31-S84 PolarHBondContact OG-OG 2.99Å
32	V	97.1	Very high	96.4	Very high	21 Å²	21	33.5 Å²	33.5	13%	0.127	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	152.1	175.6	87.2	0	0	0	0	110.6	S84 N306 Q308	V32-S84 WeakPolarHBondContact O-CB 3.49Å; V32-S84 PolarHBondContact O-OG 2.81Å; V32-N306 HydrophobicContact CG2-CB 4.2Å; V32-Q308 HydrophobicContact CG1-CG 3.96Å
33	S	96.3	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.149	C	C	.	.			trans	-75	156.3	170.6	56.3	0	0	0	0	111.8	C35 G36 K37 F38	S33-C35 PolarHBondContact O-N 3.09Å; S33-C35 PolarHBondContact OG-SG 3.2Å; S33-G36 PolarHBondContact O-N 3.15Å; S33-K37 PolarHBondContact OG-N 2.97Å; S33-F38 WeakPolarHBondContact CB-O 3.44Å; S33-F38 PolarHBondContact N-O 2.91Å; S33-F38 WeakPolarHBondContact OG-CA 3.29Å; S33-F38 WeakPolarHBondContact OG-CB 3.29Å; S33-F38 PolarHBondContact OG-N 3.26Å; S33-F38 PolarHBondContact OG-O 2.88Å
34	P	93.6	Very high	96.9	Very high	40 Å²	40	24.6 Å²	24.6	26%	0.26	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.7	178.5	-28.9	37.8	0	0	0	113.8	G36 T85 D86	P34-G36 VanDerWaalsContact C-N 3.3Å; P34-T85 WeakPolarHBondContact CG-O 3.49Å; P34-D86 VanDerWaalsContact CG-O 3.32Å; P34-D86 WeakPolarHBondContact CG-O 3.32Å
35	C	93.4	Very high	97	Very high	48 Å²	48	22.4 Å²	22.4	32%	0.324	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6	177.3	64	0	0	0	0	113.6	S33 K37 A311	S33-C35 PolarHBondContact O-N 3.09Å; S33-C35 PolarHBondContact OG-SG 3.2Å; C35-K37 PolarHBondContact O-N 2.82Å; C35-A311 WeakPolarHBondContact O-CB 3.43Å
36	G	94.3	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	74.2	-7	-177	0	0	0	0	0	115.3	S33 P34 N306 C314	S33-G36 PolarHBondContact O-N 3.15Å; P34-G36 VanDerWaalsContact C-N 3.3Å; G36-N306 PolarHBondContact O-ND2 3.17Å; G36-C314 VanDerWaalsContact O-CB 3.25Å; G36-C314 WeakPolarHBondContact O-CB 3.22Å
37	K	95.8	Very high	96.9	Very high	85 Å²	85	23.1 Å²	23.1	37%	0.37	12%	0.115	S	C	.	.	S	Bend	trans	-84.4	-20.5	-172.9	-63.6	-176.6	178.1	-178.7	0	114.3	S33 C35 L53 S54 A311	S33-K37 PolarHBondContact OG-N 2.97Å; C35-K37 PolarHBondContact O-N 2.82Å; K37-L53 WeakPolarHBondContact O-CA 3.15Å; K37-L53 WeakPolarHBondContact O-CB 3.49Å; K37-L53 PolarHBondContact O-N 2.82Å; K37-S54 PolarHBondContact O-N 2.83Å; K37-A311 HydrophobicContact CG-CB 4.14Å
38	F	96.7	Very high	96.9	Very high	44 Å²	44	23.1 Å²	23.1	19%	0.193	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.2	178.9	-56.6	-83.7	0	0	0	112	S33 I50 F51 W102 L106	S33-F38 WeakPolarHBondContact CB-O 3.44Å; S33-F38 PolarHBondContact N-O 2.91Å; S33-F38 WeakPolarHBondContact OG-CA 3.29Å; S33-F38 WeakPolarHBondContact OG-CB 3.29Å; S33-F38 PolarHBondContact OG-N 3.26Å; S33-F38 PolarHBondContact OG-O 2.88Å; F38-I50 HydrophobicContact CB-CG2 4.22Å; F38-I50 HydrophobicContact CD1-CG2 4.17Å; F38-F51 VanDerWaalsContact CA-O 3.25Å; F38-F51 WeakPolarHBondContact CA-O 3.29Å; F38-W102 HydrophobicContact CB-CZ3 4.12Å; F38-L106 HydrophobicContact CD1-CD2 4.25Å; F38-L106 HydrophobicContact CD2-CD1 4.49Å; F38-L106 HydrophobicContact CE1-CD1 4.2Å; F38-L106 HydrophobicContact CE1-CD2 3.75Å; F38-L106 HydrophobicContact CE2-CD1 3.98Å; F38-L106 HydrophobicContact CZ-CD1 3.82Å; F38-L106 HydrophobicContact CZ-CD2 4.14Å
39	L	97.9	Very high	96.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129	174	177	72	0	0	0	109.1	Q30 I50 F51 T318 V326 L339	Q30-L39 HydrophobicContact CB-CD1 4.47Å; L39-I50 CarbonylContact O-C 3.6Å; L39-I50 WeakPolarHBondContact O-CA 3.22Å; L39-F51 HydrophobicContact CB-CB 4.4Å; L39-F51 PolarHBondContact N-O 3.3Å; L39-F51 PolarHBondContact O-N 3.15Å; L39-T318 HydrophobicContact CD2-CG2 4.1Å; L39-V326 HydrophobicContact CD2-CG1 4.17Å; L39-L339 HydrophobicContact CD2-CD1 4.2Å
40	A	98.3	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.2	168.9	0	0	0	0	0	110.3	Q30 S31 I48 A49 I50 M82 L89 W102	Q30-A40 VanDerWaalsContact CA-O 3.31Å; Q30-A40 WeakPolarHBondContact CA-O 3.21Å; S31-A40 PolarHBondContact N-O 3.22Å; S31-A40 PolarHBondContact O-N 2.84Å; A40-I48 HydrophobicContact CB-CG2 4.29Å; A40-A49 CarbonylContact C-O 3.59Å; A40-A49 WeakPolarHBondContact CA-O 3.48Å; A40-I50 HydrophobicContact CB-CD1 3.61Å; A40-M82 HydrophobicContact CB-CE 4.15Å; A40-M82 HydrophobicContact CB-SD 4.28Å; A40-M82 WeakPolarHBondContact O-CE 3.39Å; A40-L89 HydrophobicContact CB-CD1 4.32Å; A40-L89 HydrophobicContact CB-CD2 3.87Å; A40-W102 HydrophobicContact CB-CH2 3.82Å
41	A	98.4	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.1	174.2	0	0	0	0	0	110.6	I27 S29 I48 A49 F51 V326 F341	I27-A41 HydrophobicContact CG2-CB 4.08Å; S29-A41 WeakPolarHBondContact O-CA 3.41Å; A41-I48 WeakPolarHBondContact O-CA 3.33Å; A41-A49 PolarHBondContact N-O 3.29Å; A41-A49 PolarHBondContact O-N 2.84Å; A41-F51 HydrophobicContact CB-CD2 4.49Å; A41-F51 HydrophobicContact CB-CE2 3.99Å; A41-V326 HydrophobicContact CB-CG2 4.35Å; A41-F341 HydrophobicContact CB-CE2 4.4Å
42	G	98.2	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.2	-179.7	0	0	0	0	0	111.4	I27 F28 S29	I27-G42 WeakPolarHBondContact CA-O 3.32Å; F28-G42 PolarHBondContact N-O 2.79Å; S29-G42 PolarHBondContact O-N 3.45Å
43	N	97.4	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	176	-174.6	78.8	11.4	0	0	0	114.3	M25 T26 Y45 G46 Q47 V79 F341	M25-N43 HydrophobicContact CG-CB 4.13Å; M25-N43 HydrophobicContact SD-CB 4.35Å; T26-N43 CarbonylContact O-C 3.49Å; T26-N43 VanDerWaalsContact O-CA 3.29Å; T26-N43 WeakPolarHBondContact O-CA 3.12Å; N43-Y45 PolarHBondContact O-N 3.49Å; N43-Y45 WeakPolarHBondContact OD1-CA 3.35Å; N43-Y45 PolarHBondContact OD1-N 2.89Å; N43-G46 PolarHBondContact O-N 3.26Å; N43-G46 PolarHBondContact OD1-N 3.18Å; N43-Q47 PolarHBondContact N-O 3.45Å; N43-Q47 PolarHBondContact ND2-OE1 3.42Å; N43-Q47 PolarHBondContact OD1-N 3.17Å; N43-Q47 PolarHBondContact OD1-O 3.41Å; N43-V79 PolarHBondContact O-N 3.26Å; N43-F341 HydrophobicContact CB-CE2 4.14Å; N43-F341 HydrophobicContact CB-CZ 4.11Å; N43-F341 VanDerWaalsContact ND2-CE1 3.34Å; N43-F341 WeakPolarHBondContact ND2-CE1 2.82Å; N43-F341 VanDerWaalsContact ND2-CZ 3.32Å; N43-F341 WeakPolarHBondContact ND2-CZ 3.35Å
44	N	97	Very high	96.7	Very high	38 Å²	38	20.6 Å²	20.6	20%	0.203	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11	179.5	68	-60	0	0	0	115.2	H24 M25 T26 F28	H24-N44 PolarHBondContact O-ND2 2.89Å; M25-N44 WeakPolarHBondContact CA-OD1 3.4Å; T26-N44 PolarHBondContact N-OD1 2.89Å; T26-N44 PolarHBondContact O-N 3.18Å; T26-N44 PolarHBondContact O-OD1 2.83Å; F28-N44 HydrophobicContact CD2-CB 4.25Å; F28-N44 HydrophobicContact CE2-CB 3.55Å; F28-N44 HydrophobicContact CZ-CB 4.4Å
45	Y	96.9	Very high	96.8	Very high	69 Å²	69	20.4 Å²	20.4	27%	0.271	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	12.2	178	-56.9	-67	0	0	0	112.5	Q21 H24 M25 N43 Q47 Q73	Q21-Y45 HydrophobicContact CB-CE2 4.34Å; Q21-Y45 WeakPolarHBondContact O-CE2 3.34Å; Q21-Y45 PolarHBondContact O-OH 3.34Å; H24-Y45 PolarHBondContact O-OH 2.78Å; M25-Y45 HydrophobicContact CB-CE2 4.36Å; M25-Y45 HydrophobicContact CG-CE2 4.49Å; N43-Y45 PolarHBondContact O-N 3.49Å; N43-Y45 WeakPolarHBondContact OD1-CA 3.35Å; N43-Y45 PolarHBondContact OD1-N 2.89Å; Y45-Q47 VanDerWaalsContact C-N 3.33Å; Y45-Q47 PolarHBondContact O-N 3.43Å; Y45-Q73 PolarHBondContact O-NE2 3.31Å
46	G	96.7	Very high	96.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	78.6	13.6	178.8	0	0	0	0	0	115.2	N43 A74 H75 G77	N43-G46 PolarHBondContact O-N 3.26Å; N43-G46 PolarHBondContact OD1-N 3.18Å; G46-A74 PolarHBondContact O-N 3.06Å; G46-H75 WeakPolarHBondContact CA-O 3.49Å; G46-H75 PolarHBondContact O-N 2.96Å; G46-G77 WeakPolarHBondContact CA-O 3.3Å; G46-G77 PolarHBondContact N-O 2.88Å
47	Q	97.3	Very high	96.9	Very high	47 Å²	47	20.6 Å²	20.6	22%	0.22	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.5	179.3	-60.1	170.4	-23.2	0	0	111.5	N43 Y45 T71 F72 F341	N43-Q47 PolarHBondContact N-O 3.45Å; N43-Q47 PolarHBondContact ND2-OE1 3.42Å; N43-Q47 PolarHBondContact OD1-N 3.17Å; N43-Q47 PolarHBondContact OD1-O 3.41Å; Y45-Q47 VanDerWaalsContact C-N 3.33Å; Y45-Q47 PolarHBondContact O-N 3.43Å; Q47-T71 HydrophobicContact CB-CG2 4.36Å; Q47-F72 WeakPolarHBondContact CA-O 3.37Å; Q47-F341 HydrophobicContact CB-CE1 4.16Å; Q47-F341 HydrophobicContact CB-CZ 4.1Å
48	I	97.8	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.3	170.7	-62.9	176.2	0	0	0	108.5	A40 A41 I50 T71 F72 A74 V79 M82 L89	A40-I48 HydrophobicContact CB-CG2 4.29Å; A41-I48 WeakPolarHBondContact O-CA 3.33Å; I48-I50 HydrophobicContact CG2-CD1 3.84Å; I48-T71 WeakPolarHBondContact O-CA 3.46Å; I48-F72 HydrophobicContact CB-CE1 3.98Å; I48-F72 HydrophobicContact CB-CE2 4.31Å; I48-F72 HydrophobicContact CB-CZ 3.74Å; I48-F72 HydrophobicContact CD1-CE2 4.45Å; I48-F72 HydrophobicContact CD1-CZ 4.15Å; I48-F72 HydrophobicContact CG1-CZ 4.45Å; I48-F72 HydrophobicContact CG2-CE1 4.05Å; I48-F72 HydrophobicContact CG2-CZ 4Å; I48-F72 PolarHBondContact N-O 2.87Å; I48-F72 PolarHBondContact O-N 3.43Å; I48-F72 VanDerWaalsContact O-N 3.15Å; I48-A74 HydrophobicContact CB-CB 4.46Å; I48-A74 HydrophobicContact CD1-CB 3.55Å; I48-A74 HydrophobicContact CG1-CB 3.74Å; I48-V79 HydrophobicContact CG1-CG1 4.47Å; I48-V79 HydrophobicContact CG1-CG2 4.26Å; I48-M82 HydrophobicContact CD1-SD 4.05Å; I48-M82 HydrophobicContact CG1-SD 4.26Å; I48-M82 HydrophobicContact CG2-SD 4.43Å; I48-L89 HydrophobicContact CD1-CD2 4.49Å; I48-L89 HydrophobicContact CG2-CD2 4.39Å
49	A	97.4	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135	171.1	0	0	0	0	0	110.4	A40 A41 F51 P68 F341	A40-A49 CarbonylContact C-O 3.59Å; A40-A49 WeakPolarHBondContact CA-O 3.48Å; A41-A49 PolarHBondContact N-O 3.29Å; A41-A49 PolarHBondContact O-N 2.84Å; A49-F51 HydrophobicContact CB-CE2 3.93Å; A49-F51 HydrophobicContact CB-CZ 4.13Å; A49-P68 HydrophobicContact CB-CB 3.96Å; A49-F341 HydrophobicContact CB-CD1 4.26Å; A49-F341 HydrophobicContact CB-CD2 3.64Å; A49-F341 HydrophobicContact CB-CE1 3.92Å; A49-F341 HydrophobicContact CB-CE2 3.24Å; A49-F341 HydrophobicContact CB-CG 4.15Å; A49-F341 HydrophobicContact CB-CZ 3.4Å
50	I	97.6	Very high	96.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.5	175	-52.9	-57.7	0	0	0	109.3	F38 L39 A40 I48 P68 V69 V70 F72 W102 M105	F38-I50 HydrophobicContact CB-CG2 4.22Å; F38-I50 HydrophobicContact CD1-CG2 4.17Å; L39-I50 CarbonylContact O-C 3.6Å; L39-I50 WeakPolarHBondContact O-CA 3.22Å; A40-I50 HydrophobicContact CB-CD1 3.61Å; I48-I50 HydrophobicContact CG2-CD1 3.84Å; I50-P68 CarbonylContact O-C 3.57Å; I50-P68 WeakPolarHBondContact O-CA 3.46Å; I50-V69 PolarHBondContact O-N 3.46Å; I50-V70 PolarHBondContact N-O 2.94Å; I50-F72 HydrophobicContact CG1-CE1 4.45Å; I50-W102 HydrophobicContact CD1-CZ3 4.12Å; I50-W102 HydrophobicContact CG2-CZ3 4.44Å; I50-M105 HydrophobicContact CD1-CE 3.76Å; I50-M105 HydrophobicContact CG1-CE 4.2Å
51	F	97.6	Very high	96.1	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.3	176.5	-62.8	-77.8	0	0	0	111	F38 L39 A41 A49 L53 P68 L339 S340	F38-F51 VanDerWaalsContact CA-O 3.25Å; F38-F51 WeakPolarHBondContact CA-O 3.29Å; L39-F51 HydrophobicContact CB-CB 4.4Å; L39-F51 PolarHBondContact N-O 3.3Å; L39-F51 PolarHBondContact O-N 3.15Å; A41-F51 HydrophobicContact CB-CD2 4.49Å; A41-F51 HydrophobicContact CB-CE2 3.99Å; A49-F51 HydrophobicContact CB-CE2 3.93Å; A49-F51 HydrophobicContact CB-CZ 4.13Å; F51-L53 PolarHBondContact O-N 3.38Å; F51-P68 HydrophobicContact CD1-CB 4.39Å; F51-P68 HydrophobicContact CE1-CB 4.08Å; F51-P68 HydrophobicContact CE1-CG 4.46Å; F51-P68 HydrophobicContact CZ-CB 4.48Å; F51-L339 HydrophobicContact CB-CD1 3.86Å; F51-L339 HydrophobicContact CD1-CB 3.91Å; F51-L339 HydrophobicContact CD1-CD1 4.16Å; F51-L339 HydrophobicContact CD1-CD2 4.31Å; F51-L339 HydrophobicContact CD1-CG 4.35Å; F51-L339 HydrophobicContact CD2-CD1 4.22Å; F51-L339 HydrophobicContact CE1-CB 3.83Å; F51-L339 HydrophobicContact CG-CB 4.29Å; F51-L339 HydrophobicContact CG-CD1 3.82Å; F51-L339 HydrophobicContact CZ-CB 4.16Å; F51-S340 WeakPolarHBondContact CE1-O 3.48Å
52	S	96.6	Very high	95.9	Very high	18 Å²	18	38.5 Å²	38.5	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	97.4	168.1	-179.3	0	0	0	0	109.4	A55 A56	S52-A55 PolarHBondContact O-N 3.3Å; S52-A55 WeakPolarHBondContact OG-CB 3.38Å; S52-A55 PolarHBondContact OG-N 3.05Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.31Å
53	L	95.8	Very high	95.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-38.7	-178.6	-164.1	64.6	0	0	0	111	K37 F51 A55 A56 L57 N306 C314 V316 L339	K37-L53 WeakPolarHBondContact O-CA 3.15Å; K37-L53 WeakPolarHBondContact O-CB 3.49Å; K37-L53 PolarHBondContact O-N 2.82Å; F51-L53 PolarHBondContact O-N 3.38Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.13Å; L53-A56 PolarHBondContact O-N 2.74Å; L53-L57 HydrophobicContact CD1-CD1 4.35Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.83Å; L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.28Å; L53-N306 WeakPolarHBondContact CD2-ND2 3.49Å; L53-C314 HydrophobicContact CD2-CB 4.16Å; L53-V316 HydrophobicContact CD1-CG2 4.27Å; L53-V316 HydrophobicContact CD2-CG2 3.82Å; L53-V316 HydrophobicContact CG-CG2 4.45Å; L53-L339 HydrophobicContact CD1-CD1 4.47Å
54	S	95.5	Very high	95.3	Very high	36 Å²	36	51.2 Å²	51.2	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-36.5	176.2	60.4	0	0	0	0	112.7	K37 S58	K37-S54 PolarHBondContact O-N 2.83Å; S54-S58 PolarHBondContact O-N 2.94Å
55	A	95.5	Very high	95.2	Very high	37 Å²	37	50.8 Å²	50.8	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-71.8	-38.5	175.7	0	0	0	0	0	111.7	S52 L53 L57 S58	S52-A55 PolarHBondContact O-N 3.3Å; S52-A55 WeakPolarHBondContact OG-CB 3.38Å; S52-A55 PolarHBondContact OG-N 3.05Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.13Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.39Å; A55-S58 WeakPolarHBondContact O-CB 3.15Å; A55-S58 PolarHBondContact O-N 2.95Å
56	A	95.6	Very high	95.1	Very high	6 Å²	6	49.7 Å²	49.7	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-28.5	177.8	0	0	0	0	0	113.3	S52 L53 A61 F337 L339	S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.31Å; L53-A56 PolarHBondContact O-N 2.74Å; A56-A61 WeakPolarHBondContact O-CB 3.16Å; A56-F337 HydrophobicContact CB-CE2 3.92Å; A56-F337 HydrophobicContact CB-CZ 4.02Å; A56-L339 HydrophobicContact CB-CD2 3.91Å
57	L	94.9	Very high	95.1	Very high	46 Å²	46	54.2 Å²	54.2	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-89.6	-8.7	177.5	-69.4	168.5	0	0	0	113.9	L53 A55 C314 V316 T330 F337	L53-L57 HydrophobicContact CD1-CD1 4.35Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.83Å; L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.28Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.39Å; L57-C314 HydrophobicContact CD1-CB 4.4Å; L57-V316 HydrophobicContact CD1-CG1 3.87Å; L57-V316 HydrophobicContact CD2-CG1 4.06Å; L57-T330 HydrophobicContact CD2-CG2 3.58Å; L57-F337 HydrophobicContact CD2-CE1 3.75Å; L57-F337 HydrophobicContact CD2-CZ 3.82Å; L57-F337 HydrophobicContact CG-CZ 4.26Å
58	S	95.5	Very high	95	Very high	51 Å²	51	53.4 Å²	53.4	36%	0.357	29%	0.292	S	S	.	.	S	Bend	trans	-64.4	150.4	179.3	-178.7	0	0	0	0	111.9	S54 A55 E60 A61	S54-S58 PolarHBondContact O-N 2.94Å; A55-S58 WeakPolarHBondContact O-CB 3.15Å; A55-S58 PolarHBondContact O-N 2.95Å; S58-E60 PolarHBondContact O-N 3.37Å; S58-E60 PolarHBondContact OG-N 3.04Å; S58-A61 WeakPolarHBondContact O-CB 3.49Å; S58-A61 PolarHBondContact O-N 2.77Å; S58-A61 VanDerWaalsContact O-N 3.1Å
59	S	91.6	Very high	94.9	Very high	127 Å²	127	57.3 Å²	57.3	89%	0.888	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.3	171.9	53.5	0	0	0	0	113.2
60	E	92.9	Very high	94.8	Very high	165 Å²	165	58.8 Å²	58.8	77%	0.771	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	15.3	178.4	-60.8	-178.6	178.7	0	0	112.9	S58 K62	S58-E60 PolarHBondContact O-N 3.37Å; S58-E60 PolarHBondContact OG-N 3.04Å; E60-K62 PolarHBondContact O-N 2.88Å
61	A	92.8	Very high	94.7	Very high	40 Å²	40	61.5 Å²	61.5	33%	0.331	34%	0.342	S	S	.	.			trans	-61.3	132.1	-176.7	0	0	0	0	0	112.4	A56 S58	A56-A61 WeakPolarHBondContact O-CB 3.16Å; S58-A61 WeakPolarHBondContact O-CB 3.49Å; S58-A61 PolarHBondContact O-N 2.77Å; S58-A61 VanDerWaalsContact O-N 3.1Å
62	K	93.8	Very high	94.6	Very high	124 Å²	124	62.7 Å²	62.7	54%	0.539	35%	0.347	S	S	.	.			trans	-107.8	171.4	175.6	-63.3	171.9	-174.9	177.4	0	110.7	E60 E64 S65	E60-K62 PolarHBondContact O-N 2.88Å; K62-E64 HydrophobicContact CB-CG 3.74Å; K62-E64 HydrophobicContact CD-CG 4.07Å; K62-E64 WeakPolarHBondContact CD-OE1 3.42Å; K62-E64 IonicContact NZ-OE1 3.47Å; K62-E64 PolarHBondContact NZ-OE1 3.46Å; K62-E64 PolarHBondContact O-N 2.86Å; K62-S65 PolarHBondContact N-OG 2.88Å; K62-S65 VanDerWaalsContact O-CB 3.26Å; K62-S65 WeakPolarHBondContact O-CB 3.25Å; K62-S65 PolarHBondContact O-N 2.88Å; K62-S65 PolarHBondContact O-OG 3.49Å
63	E	90.6	Very high	94.5	Very high	138 Å²	138	66.6 Å²	66.6	65%	0.645	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-60.7	-34.9	172.9	-71.1	-57.2	138.9	0	0	112.4	S65 K66	E63-S65 VanDerWaalsContact C-N 3.26Å; E63-S65 PolarHBondContact O-N 2.95Å; E63-K66 PolarHBondContact O-N 2.91Å; E63-K66 IonicContact OE1-NZ 2.69Å; E63-K66 PolarHBondContact OE1-NZ 2.78Å; E63-K66 IonicContact OE2-NZ 3.79Å; E63-K66 PolarHBondContact OE2-NZ 3.39Å
64	E	92.3	Very high	94.5	Very high	129 Å²	129	66.7 Å²	66.7	60%	0.603	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64.9	-27.5	172.9	60.7	-174.8	-175.9	0	0	113.1	K62 K66 K67	K62-E64 HydrophobicContact CB-CG 3.74Å; K62-E64 HydrophobicContact CD-CG 4.07Å; K62-E64 WeakPolarHBondContact CD-OE1 3.42Å; K62-E64 IonicContact NZ-OE1 3.47Å; K62-E64 PolarHBondContact NZ-OE1 3.46Å; K62-E64 PolarHBondContact O-N 2.86Å; E64-K66 PolarHBondContact O-N 3.39Å; E64-K67 WeakPolarHBondContact O-CB 3.19Å; E64-K67 PolarHBondContact O-N 3.04Å
65	S	94.6	Very high	94.6	Very high	29 Å²	29	65.1 Å²	65.1	20%	0.203	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-69.3	-16.4	177.3	-48.3	0	0	0	0	112.7	K62 E63 K67	K62-S65 PolarHBondContact N-OG 2.88Å; K62-S65 VanDerWaalsContact O-CB 3.26Å; K62-S65 WeakPolarHBondContact O-CB 3.25Å; K62-S65 PolarHBondContact O-N 2.88Å; K62-S65 PolarHBondContact O-OG 3.49Å; E63-S65 VanDerWaalsContact C-N 3.26Å; E63-S65 PolarHBondContact O-N 2.95Å; S65-K67 VanDerWaalsContact C-N 3.32Å
66	K	95.7	Very high	94.5	Very high	47 Å²	47	70.3 Å²	70.3	20%	0.204	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-92.3	8.1	178.4	-57	171.4	-168.1	164.9	0	112.9	E63 E64 L339 S340	E63-K66 PolarHBondContact O-N 2.91Å; E63-K66 IonicContact OE1-NZ 2.69Å; E63-K66 PolarHBondContact OE1-NZ 2.78Å; E63-K66 IonicContact OE2-NZ 3.79Å; E63-K66 PolarHBondContact OE2-NZ 3.39Å; E64-K66 PolarHBondContact O-N 3.39Å; K66-L339 HydrophobicContact CB-CD2 4.16Å; K66-L339 WeakPolarHBondContact O-CA 3.47Å; K66-S340 PolarHBondContact O-N 3.22Å
67	K	96.1	Very high	94.5	Very high	95 Å²	95	70.7 Å²	70.7	41%	0.413	38%	0.38	S	S	.	.	S	Bend	trans	-101.9	158	176.8	-69.3	-67.3	-179	173.7	0	111.1	E64 S65 V69 F341	E64-K67 WeakPolarHBondContact O-CB 3.19Å; E64-K67 PolarHBondContact O-N 3.04Å; S65-K67 VanDerWaalsContact C-N 3.32Å; K67-V69 PolarHBondContact O-N 3.04Å; K67-F341 PolarHBondContact NZ-O 2.76Å
68	P	96.1	Very high	94.6	Very high	29 Å²	29	70.2 Å²	70.2	19%	0.188	38%	0.38	C	S	.	.			trans	-62.9	136	175.9	26.5	-34.8	0	0	0	110.3	A49 I50 F51 T71 S340	A49-P68 HydrophobicContact CB-CB 3.96Å; I50-P68 CarbonylContact O-C 3.57Å; I50-P68 WeakPolarHBondContact O-CA 3.46Å; F51-P68 HydrophobicContact CD1-CB 4.39Å; F51-P68 HydrophobicContact CE1-CB 4.08Å; F51-P68 HydrophobicContact CE1-CG 4.46Å; F51-P68 HydrophobicContact CZ-CB 4.48Å; P68-T71 VanDerWaalsContact CB-OG1 3.28Å; P68-T71 WeakPolarHBondContact CB-OG1 3.05Å; P68-T71 VanDerWaalsContact CG-OG1 3.26Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; P68-S340 VanDerWaalsContact CD-O 3.29Å; P68-S340 WeakPolarHBondContact CD-O 3.34Å
69	V	95	Very high	94.8	Very high	82 Å²	82	67.8 Å²	67.8	50%	0.497	36%	0.363	S	S	.	.	S	Bend	trans	-70.4	-40.3	172	-176.4	0	0	0	0	109.6	I50 K67 L106	I50-V69 PolarHBondContact O-N 3.46Å; K67-V69 PolarHBondContact O-N 3.04Å; V69-L106 HydrophobicContact CG1-CD2 4.24Å
70	V	95.1	Very high	95	Very high	32 Å²	32	65.3 Å²	65.3	19%	0.194	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.6	175.8	-176.9	0	0	0	0	108.4	I50 F72	I50-V70 PolarHBondContact N-O 2.94Å; V70-F72 HydrophobicContact CG1-CD1 4.12Å
71	T	95.3	Very high	95.3	Very high	59 Å²	59	58.2 Å²	58.2	36%	0.362	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.5	166.3	-59.3	0	0	0	0	107.8	Q47 I48 P68 F341	Q47-T71 HydrophobicContact CB-CG2 4.36Å; I48-T71 WeakPolarHBondContact O-CA 3.46Å; P68-T71 VanDerWaalsContact CB-OG1 3.28Å; P68-T71 WeakPolarHBondContact CB-OG1 3.05Å; P68-T71 VanDerWaalsContact CG-OG1 3.26Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; T71-F341 HydrophobicContact CG2-CE1 3.75Å; T71-F341 HydrophobicContact CG2-CZ 4.37Å
72	F	95.3	Very high	95.5	Very high	26 Å²	26	57 Å²	57	11%	0.114	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.1	178.8	63.8	-83.2	0	0	0	110.9	Q47 I48 I50 V70 A74 W100 M105 C110	Q47-F72 WeakPolarHBondContact CA-O 3.37Å; I48-F72 HydrophobicContact CB-CE1 3.98Å; I48-F72 HydrophobicContact CB-CE2 4.31Å; I48-F72 HydrophobicContact CB-CZ 3.74Å; I48-F72 HydrophobicContact CD1-CE2 4.45Å; I48-F72 HydrophobicContact CD1-CZ 4.15Å; I48-F72 HydrophobicContact CG1-CZ 4.45Å; I48-F72 HydrophobicContact CG2-CE1 4.05Å; I48-F72 HydrophobicContact CG2-CZ 4Å; I48-F72 PolarHBondContact N-O 2.87Å; I48-F72 PolarHBondContact O-N 3.43Å; I48-F72 VanDerWaalsContact O-N 3.15Å; I50-F72 HydrophobicContact CG1-CE1 4.45Å; V70-F72 HydrophobicContact CG1-CD1 4.12Å; F72-A74 HydrophobicContact CD2-CB 4.24Å; F72-A74 HydrophobicContact CE2-CB 3.76Å; F72-A74 PolarHBondContact O-N 2.85Å; F72-W100 HydrophobicContact CD2-CH2 4.29Å; F72-W100 HydrophobicContact CD2-CZ3 4.07Å; F72-W100 HydrophobicContact CE2-CD2 4.02Å; F72-W100 AromaticContact CE2-CE3 3.69Å; F72-W100 HydrophobicContact CE2-CE3 3.69Å; F72-W100 AromaticContact CE2-CH2 3.71Å; F72-W100 HydrophobicContact CE2-CH2 3.71Å; F72-W100 HydrophobicContact CE2-CZ2 4.03Å; F72-W100 AromaticContact CE2-CZ3 3.52Å; F72-W100 HydrophobicContact CE2-CZ3 3.52Å; F72-W100 HydrophobicContact CZ-CD2 4.23Å; F72-W100 HydrophobicContact CZ-CE3 4.15Å; F72-W100 HydrophobicContact CZ-CZ3 4.42Å; F72-M105 HydrophobicContact CE1-CE 3.52Å; F72-M105 HydrophobicContact CZ-CE 3.42Å; F72-M105 VanDerWaalsContact CZ-CE 3.42Å; F72-C110 HydrophobicContact CG-CB 4.32Å
73	Q	95.6	Very high	95.7	Very high	99 Å²	99	52.4 Å²	52.4	46%	0.463	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118	173	-166.4	69.4	30.6	0	0	108.5	Y45 H75	Y45-Q73 PolarHBondContact O-NE2 3.31Å; Q73-H75 PolarHBondContact NE2-O 2.92Å
74	A	95.6	Very high	96	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.033	25%	0.252	C	S	.	.			trans	-103.8	-41.7	-175.4	0	0	0	0	0	112.1	G46 I48 F72 K98 W100	G46-A74 PolarHBondContact O-N 3.06Å; I48-A74 HydrophobicContact CB-CB 4.46Å; I48-A74 HydrophobicContact CD1-CB 3.55Å; I48-A74 HydrophobicContact CG1-CB 3.74Å; F72-A74 HydrophobicContact CD2-CB 4.24Å; F72-A74 HydrophobicContact CE2-CB 3.76Å; F72-A74 PolarHBondContact O-N 2.85Å; A74-K98 WeakPolarHBondContact O-CD 3.28Å; A74-K98 PolarHBondContact O-NZ 3.49Å; A74-W100 HydrophobicContact CB-CH2 4.01Å; A74-W100 HydrophobicContact CB-CZ2 3.6Å
75	H	96.4	Very high	96.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.23	C	C	.	.			trans	-134.3	157.4	-175	-67.5	-84.7	0	0	0	110	G46 Q73 G77 V79 S91 G93	G46-H75 WeakPolarHBondContact CA-O 3.49Å; G46-H75 PolarHBondContact O-N 2.96Å; Q73-H75 PolarHBondContact NE2-O 2.92Å; H75-G77 WeakPolarHBondContact CB-O 3.2Å; H75-V79 HydrophobicContact CB-CG2 4.5Å; H75-S91 PolarHBondContact NE2-O 3.25Å; H75-S91 PolarHBondContact NE2-OG 3.02Å; H75-G93 PolarHBondContact CE1-N 3.47Å; H75-G93 WeakPolarHBondContact ND1-CA 3.41Å; H75-G93 PolarHBondContact ND1-O 3.45Å
76	D	94.6	Very high	95.9	Very high	146 Å²	146	47.7 Å²	47.7	78%	0.781	26%	0.257	S	S	*	.	S	Bend	trans	-78.3	-34.4	174.4	-73.4	-11.5	0	0	0	111.2
77	G	95.3	Very high	95.7	Very high	15 Å²	15	54.2 Å²	54.2	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-98	-177.4	173.1	0	0	0	0	0	114.4	G46 H75	G46-G77 WeakPolarHBondContact CA-O 3.3Å; G46-G77 PolarHBondContact N-O 2.88Å; H75-G77 WeakPolarHBondContact CB-O 3.2Å
78	P	97.4	Very high	95.7	Very high	35 Å²	35	52.4 Å²	52.4	23%	0.227	27%	0.274	C	S	.	.			trans	-57.7	146.2	177.5	-24.7	34.9	0	0	0	114.1	F28 Y80 G93	F28-P78 HydrophobicContact CD2-CB 4.24Å; F28-P78 HydrophobicContact CE2-CB 4.01Å; P78-Y80 HydrophobicContact CB-CD1 4.43Å; P78-Y80 HydrophobicContact CB-CD2 4.39Å; P78-Y80 HydrophobicContact CB-CE1 3.98Å; P78-Y80 HydrophobicContact CB-CE2 3.94Å; P78-Y80 HydrophobicContact CG-CE2 4.3Å; P78-Y80 PolarHBondContact O-N 2.89Å; P78-G93 WeakPolarHBondContact O-CA 3.25Å
79	V	98.2	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	87.9	173.3	-168.8	0	0	0	0	110.3	F28 S29 N43 I48 H75 M82	F28-V79 WeakPolarHBondContact CB-O 3.37Å; S29-V79 PolarHBondContact OG-O 3.28Å; N43-V79 PolarHBondContact O-N 3.26Å; I48-V79 HydrophobicContact CG1-CG1 4.47Å; I48-V79 HydrophobicContact CG1-CG2 4.26Å; H75-V79 HydrophobicContact CB-CG2 4.5Å; V79-M82 HydrophobicContact CG1-CG 3.9Å; V79-M82 HydrophobicContact CG1-SD 4.25Å
80	Y	97.6	Very high	95.9	Very high	75 Å²	75	47.2 Å²	47.2	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-35.5	-173.6	-70	-64.1	0	0	0	114.1	F28 S29 P78 A92 E128 I129	F28-Y80 HydrophobicContact CD1-CD1 4.44Å; F28-Y80 HydrophobicContact CD2-CD1 4.38Å; F28-Y80 HydrophobicContact CE2-CE1 4.28Å; F28-Y80 HydrophobicContact CG-CD1 4.31Å; F28-Y80 HydrophobicContact CZ-CE1 4.29Å; S29-Y80 WeakPolarHBondContact CB-O 3.39Å; P78-Y80 HydrophobicContact CB-CD1 4.43Å; P78-Y80 HydrophobicContact CB-CD2 4.39Å; P78-Y80 HydrophobicContact CB-CE1 3.98Å; P78-Y80 HydrophobicContact CB-CE2 3.94Å; P78-Y80 HydrophobicContact CG-CE2 4.3Å; P78-Y80 PolarHBondContact O-N 2.89Å; Y80-A92 PolarHBondContact N-O 3.35Å; Y80-E128 HydrophobicContact CD2-CB 3.96Å; Y80-E128 HydrophobicContact CE2-CB 3.65Å; Y80-E128 HydrophobicContact CE2-CG 4.25Å; Y80-I129 WeakPolarHBondContact CB-O 3.24Å
81	S	97.6	Very high	96.1	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.119	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	147	-175.1	-156.3	0	0	0	0	112.2	A92 L132	S81-A92 PolarHBondContact O-N 3.38Å; S81-L132 PolarHBondContact OG-N 3.44Å; S81-L132 VanDerWaalsContact OG-N 3.13Å
82	M	98.2	Very high	96.2	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144	174.7	-68.9	-170	-63.7	0	0	109.7	S29 A40 I48 V79 L89 L90	S29-M82 VanDerWaalsContact O-CE 3.3Å; S29-M82 WeakPolarHBondContact O-CE 3.42Å; S29-M82 WeakPolarHBondContact OG-CE 3.5Å; A40-M82 HydrophobicContact CB-CE 4.15Å; A40-M82 HydrophobicContact CB-SD 4.28Å; A40-M82 WeakPolarHBondContact O-CE 3.39Å; I48-M82 HydrophobicContact CD1-SD 4.05Å; I48-M82 HydrophobicContact CG1-SD 4.26Å; I48-M82 HydrophobicContact CG2-SD 4.43Å; V79-M82 HydrophobicContact CG1-CG 3.9Å; V79-M82 HydrophobicContact CG1-SD 4.25Å; M82-L89 HydrophobicContact CB-CD1 4.29Å; M82-L89 HydrophobicContact SD-CD1 4.39Å; M82-L89 HydrophobicContact SD-CD2 4.25Å; M82-L90 CarbonylContact C-O 3.56Å; M82-L90 VanDerWaalsContact CA-O 3.25Å; M82-L90 WeakPolarHBondContact CA-O 3.45Å
83	V	97.6	Very high	96.1	Very high	26 Å²	26	41.6 Å²	41.6	16%	0.158	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.6	172.8	65.6	0	0	0	0	109.5	L90 L132 L134 L141	V83-L90 HydrophobicContact CG1-CB 3.91Å; V83-L90 HydrophobicContact CG1-CD1 4.1Å; V83-L90 HydrophobicContact CG1-CG 4.4Å; V83-L90 PolarHBondContact N-O 3.21Å; V83-L90 PolarHBondContact O-N 3.04Å; V83-L132 HydrophobicContact CG1-CB 4.06Å; V83-L132 HydrophobicContact CG1-CD1 4.21Å; V83-L134 HydrophobicContact CG2-CB 3.89Å; V83-L141 HydrophobicContact CG1-CD1 3.91Å
84	S	96.1	Very high	95.8	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.3	176.7	46.8	0	0	0	0	110.9	S31 V32 H88	S31-S84 VanDerWaalsContact OG-CB 3.32Å; S31-S84 WeakPolarHBondContact OG-CB 3.4Å; S31-S84 PolarHBondContact OG-N 2.81Å; S31-S84 PolarHBondContact OG-OG 2.99Å; V32-S84 WeakPolarHBondContact O-CB 3.49Å; V32-S84 PolarHBondContact O-OG 2.81Å; S84-H88 WeakPolarHBondContact CA-O 3.4Å
85	T	94.1	Very high	95.6	Very high	24 Å²	24	40.5 Å²	40.5	15%	0.147	21%	0.206	C	C	.	.			trans	-108.8	179.1	163	65.5	0	0	0	0	108.1	P34 R87 H88 L90 L134 L155	P34-T85 WeakPolarHBondContact CG-O 3.49Å; T85-R87 PolarHBondContact O-N 2.89Å; T85-H88 PolarHBondContact N-O 3.33Å; T85-H88 WeakPolarHBondContact OG1-CA 3.45Å; T85-H88 VanDerWaalsContact OG1-CB 3.29Å; T85-H88 WeakPolarHBondContact OG1-CB 3.43Å; T85-H88 PolarHBondContact OG1-N 2.97Å; T85-H88 PolarHBondContact OG1-ND1 3.39Å; T85-H88 PolarHBondContact OG1-O 3.23Å; T85-H88 VanDerWaalsContact OG1-O 3.14Å; T85-L90 HydrophobicContact CG2-CD1 4.17Å; T85-L90 HydrophobicContact CG2-CG 4.49Å; T85-L134 HydrophobicContact CG2-CD1 4Å; T85-L134 HydrophobicContact CG2-CD2 4.1Å; T85-L155 HydrophobicContact CG2-CD1 4.48Å
86	D	91.2	Very high	95.5	Very high	145 Å²	145	42.1 Å²	42.1	78%	0.775	21%	0.214	S	C	*	.	S	Bend	trans	-54.9	-22.3	178.6	-62	-21.5	0	0	0	114.9	P34	P34-D86 VanDerWaalsContact CG-O 3.32Å; P34-D86 WeakPolarHBondContact CG-O 3.32Å
87	R	92.4	Very high	95.6	Very high	185 Å²	185	35.1 Å²	35.1	70%	0.698	18%	0.176	S	C	*	.	S	Bend	trans	-133.2	-28.3	-176.9	-61.7	-174.5	-177	-177.1	2.1	114.4	T85 W102	T85-R87 PolarHBondContact O-N 2.89Å; R87-W102 PolarHBondContact O-N 2.97Å
88	H	95.3	Very high	95.7	Very high	57 Å²	57	35.9 Å²	35.9	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.1	-172.5	-47	105.1	0	0	0	111.7	S84 T85 L90 W100 L101 L113	S84-H88 WeakPolarHBondContact CA-O 3.4Å; T85-H88 PolarHBondContact N-O 3.33Å; T85-H88 WeakPolarHBondContact OG1-CA 3.45Å; T85-H88 VanDerWaalsContact OG1-CB 3.29Å; T85-H88 WeakPolarHBondContact OG1-CB 3.43Å; T85-H88 PolarHBondContact OG1-N 2.97Å; T85-H88 PolarHBondContact OG1-ND1 3.39Å; T85-H88 PolarHBondContact OG1-O 3.23Å; T85-H88 VanDerWaalsContact OG1-O 3.14Å; H88-L90 HydrophobicContact CB-CD2 4.19Å; H88-W100 CarbonylContact C-O 3.52Å; H88-W100 VanDerWaalsContact CA-O 3.22Å; H88-W100 WeakPolarHBondContact CA-O 3.45Å; H88-L101 VanDerWaalsContact CD2-CD2 3.41Å; H88-L101 WeakPolarHBondContact CD2-CD2 3.43Å; H88-L113 WeakPolarHBondContact CD2-CD1 3.33Å
89	L	97.6	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.2	155	178.3	68.8	0	0	0	107.4	A40 I48 M82 A99 W100 W102 M105	A40-L89 HydrophobicContact CB-CD1 4.32Å; A40-L89 HydrophobicContact CB-CD2 3.87Å; I48-L89 HydrophobicContact CD1-CD2 4.49Å; I48-L89 HydrophobicContact CG2-CD2 4.39Å; M82-L89 HydrophobicContact CB-CD1 4.29Å; M82-L89 HydrophobicContact SD-CD1 4.39Å; M82-L89 HydrophobicContact SD-CD2 4.25Å; L89-A99 WeakPolarHBondContact O-CA 3.43Å; L89-W100 HydrophobicContact CB-CB 4.36Å; L89-W100 PolarHBondContact N-O 3.07Å; L89-W100 VanDerWaalsContact O-CD1 3.31Å; L89-W100 PolarHBondContact O-N 3.41Å; L89-W102 HydrophobicContact CB-CZ2 4.06Å; L89-W102 HydrophobicContact CD1-CH2 4.48Å; L89-W102 HydrophobicContact CD1-CZ2 3.89Å; L89-W102 HydrophobicContact CG-CZ2 4.4Å; L89-M105 HydrophobicContact CB-SD 4.19Å; L89-M105 HydrophobicContact CD2-CE 3.64Å; L89-M105 HydrophobicContact CD2-SD 4.23Å
90	L	98	Very high	95.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.6	171.1	-53.1	-179	0	0	0	107.6	M82 V83 T85 H88 V97 K98 A99 W114 L141 L155	M82-L90 CarbonylContact C-O 3.56Å; M82-L90 VanDerWaalsContact CA-O 3.25Å; M82-L90 WeakPolarHBondContact CA-O 3.45Å; V83-L90 HydrophobicContact CG1-CB 3.91Å; V83-L90 HydrophobicContact CG1-CD1 4.1Å; V83-L90 HydrophobicContact CG1-CG 4.4Å; V83-L90 PolarHBondContact N-O 3.21Å; V83-L90 PolarHBondContact O-N 3.04Å; T85-L90 HydrophobicContact CG2-CD1 4.17Å; T85-L90 HydrophobicContact CG2-CG 4.49Å; H88-L90 HydrophobicContact CB-CD2 4.19Å; L90-V97 HydrophobicContact CB-CG1 4.3Å; L90-K98 WeakPolarHBondContact CA-O 3.26Å; L90-A99 HydrophobicContact CD2-CB 3.61Å; L90-W114 HydrophobicContact CD2-CH2 3.73Å; L90-W114 HydrophobicContact CD2-CZ2 3.68Å; L90-L141 HydrophobicContact CD1-CD1 4.02Å; L90-L141 HydrophobicContact CD1-CD2 4.01Å; L90-L155 HydrophobicContact CD1-CD2 3.94Å
91	S	98.2	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.3	176.7	66.4	0	0	0	0	111.1	H75 V97 K98 W100	H75-S91 PolarHBondContact NE2-O 3.25Å; H75-S91 PolarHBondContact NE2-OG 3.02Å; S91-V97 WeakPolarHBondContact O-CA 3.36Å; S91-K98 PolarHBondContact N-O 3.3Å; S91-K98 PolarHBondContact O-N 2.94Å; S91-W100 PolarHBondContact OG-NE1 3.42Å
92	A	97.8	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.4	176.4	0	0	0	0	0	110.4	Y80 S81 E96 V97 I129 L132	Y80-A92 PolarHBondContact N-O 3.35Å; S81-A92 PolarHBondContact O-N 3.38Å; A92-E96 WeakPolarHBondContact CA-O 3.49Å; A92-V97 HydrophobicContact CB-CG2 4.32Å; A92-I129 HydrophobicContact CB-CB 3.92Å; A92-I129 HydrophobicContact CB-CG2 3.68Å; A92-L132 HydrophobicContact CB-CD1 3.71Å; A92-L132 HydrophobicContact CB-CD2 4.2Å; A92-L132 HydrophobicContact CB-CG 3.9Å
93	G	92.9	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	153.2	175.3	0	0	0	0	0	109.1	H75 P78 G95 E96	H75-G93 PolarHBondContact CE1-N 3.47Å; H75-G93 WeakPolarHBondContact ND1-CA 3.41Å; H75-G93 PolarHBondContact ND1-O 3.45Å; P78-G93 WeakPolarHBondContact O-CA 3.25Å; G93-G95 PolarHBondContact O-N 2.97Å; G93-E96 PolarHBondContact N-O 3.19Å; G93-E96 VanDerWaalsContact N-O 3.13Å; G93-E96 PolarHBondContact O-N 2.84Å
94	D	88.9	Confident	94.8	Very high	80 Å²	80	38.3 Å²	38.3	43%	0.428	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	34.5	175.2	-156.9	33.6	0	0	0	115.6	E96 V126	D94-E96 PolarHBondContact O-N 2.84Å; D94-V126 WeakPolarHBondContact O-CG1 3.48Å
95	G	91.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	19.8	-178.2	0	0	0	0	0	114.9	G93 Q117 Y120 P127	G93-G95 PolarHBondContact O-N 2.97Å; G95-Q117 WeakPolarHBondContact O-CG 3.28Å; G95-Y120 VanDerWaalsContact C-OH 3.29Å; G95-Y120 WeakPolarHBondContact CA-OH 3.46Å; G95-Y120 PolarHBondContact O-OH 3.24Å; G95-P127 VanDerWaalsContact CA-O 3.3Å; G95-P127 WeakPolarHBondContact CA-O 3.3Å
96	E	94.7	Very high	94.3	Very high	35 Å²	35	39 Å²	39	16%	0.164	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.2	170.1	63.2	173.1	-171.5	0	0	112.3	A92 G93 D94 K98 H115 Q117	A92-E96 WeakPolarHBondContact CA-O 3.49Å; G93-E96 PolarHBondContact N-O 3.19Å; G93-E96 VanDerWaalsContact N-O 3.13Å; G93-E96 PolarHBondContact O-N 2.84Å; D94-E96 PolarHBondContact O-N 2.84Å; E96-K98 WeakPolarHBondContact OE1-CE 3.42Å; E96-K98 IonicContact OE1-NZ 3.61Å; E96-H115 IonicContact OE2-CE1 3.89Å; E96-H115 IonicContact OE2-CG 2.68Å; E96-H115 IonicContact OE2-ND1 2.84Å; E96-H115 PolarHBondContact OE2-ND1 2.89Å; E96-Q117 HydrophobicContact CB-CB 4.34Å
97	V	97.4	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.2	172.7	-179.6	0	0	0	0	108.8	L90 S91 A92 W114 H115 R116 I129 L132 L141 L143	L90-V97 HydrophobicContact CB-CG1 4.3Å; S91-V97 WeakPolarHBondContact O-CA 3.36Å; A92-V97 HydrophobicContact CB-CG2 4.32Å; V97-W114 HydrophobicContact CB-CZ3 4.43Å; V97-W114 HydrophobicContact CG1-CH2 4.22Å; V97-W114 HydrophobicContact CG1-CZ3 4.05Å; V97-H115 CarbonylContact O-C 3.45Å; V97-H115 VanDerWaalsContact O-CA 3.23Å; V97-H115 WeakPolarHBondContact O-CA 3.36Å; V97-R116 PolarHBondContact N-O 3.36Å; V97-R116 PolarHBondContact O-N 3.37Å; V97-I129 HydrophobicContact CG2-CD1 4.09Å; V97-L132 HydrophobicContact CG2-CD2 3.92Å; V97-L141 HydrophobicContact CG1-CD2 4.08Å; V97-L141 HydrophobicContact CG2-CD2 4.49Å; V97-L143 HydrophobicContact CG2-CD2 3.38Å; V97-L143 HydrophobicContact CG2-CG 4.2Å
98	K	97.4	Very high	93.5	Very high	31 Å²	31	40.2 Å²	40.2	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.4	173	-66.1	-176.3	177.1	-153.2	0	110.7	A74 L90 S91 E96 W100 E112 W114 H115	A74-K98 WeakPolarHBondContact O-CD 3.28Å; A74-K98 PolarHBondContact O-NZ 3.49Å; L90-K98 WeakPolarHBondContact CA-O 3.26Å; S91-K98 PolarHBondContact N-O 3.3Å; S91-K98 PolarHBondContact O-N 2.94Å; E96-K98 WeakPolarHBondContact OE1-CE 3.42Å; E96-K98 IonicContact OE1-NZ 3.61Å; K98-W100 HydrophobicContact CB-CZ2 3.83Å; K98-W100 HydrophobicContact CD-CH2 4.3Å; K98-W100 HydrophobicContact CD-CZ2 3.78Å; K98-W100 HydrophobicContact CG-CZ2 4.47Å; K98-E112 VanDerWaalsContact CD-OE2 3.29Å; K98-E112 WeakPolarHBondContact CD-OE2 3.4Å; K98-E112 VanDerWaalsContact CE-OE2 3.28Å; K98-E112 WeakPolarHBondContact CE-OE2 3.42Å; K98-E112 IonicContact NZ-OE2 3.18Å; K98-E112 PolarHBondContact NZ-OE2 3.08Å; K98-W114 WeakPolarHBondContact CA-O 3.25Å; K98-H115 HydrophobicContact CG-CB 3.95Å
99	A	97.1	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.8	175	0	0	0	0	0	112.4	L89 L90 L113 W114	L89-A99 WeakPolarHBondContact O-CA 3.43Å; L90-A99 HydrophobicContact CD2-CB 3.61Å; A99-L113 HydrophobicContact CB-CB 4.28Å; A99-L113 PolarHBondContact O-N 2.86Å; A99-W114 HydrophobicContact CB-CD2 3.52Å; A99-W114 HydrophobicContact CB-CE3 3.99Å; A99-W114 HydrophobicContact CB-CG 4.05Å; A99-W114 HydrophobicContact CB-CH2 3.9Å; A99-W114 HydrophobicContact CB-CZ2 3.43Å; A99-W114 VanDerWaalsContact CB-CZ2 3.43Å; A99-W114 HydrophobicContact CB-CZ3 4.15Å; A99-W114 PolarHBondContact N-O 3.12Å
100	W	97.1	Very high	91.7	Very high	9 Å²	9	41.9 Å²	41.9	3%	0.034	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.1	-176.7	-43.3	85.3	0	0	0	109.6	F72 A74 H88 L89 S91 K98 M105 E112	F72-W100 HydrophobicContact CD2-CH2 4.29Å; F72-W100 HydrophobicContact CD2-CZ3 4.07Å; F72-W100 HydrophobicContact CE2-CD2 4.02Å; F72-W100 AromaticContact CE2-CE3 3.69Å; F72-W100 HydrophobicContact CE2-CE3 3.69Å; F72-W100 AromaticContact CE2-CH2 3.71Å; F72-W100 HydrophobicContact CE2-CH2 3.71Å; F72-W100 HydrophobicContact CE2-CZ2 4.03Å; F72-W100 AromaticContact CE2-CZ3 3.52Å; F72-W100 HydrophobicContact CE2-CZ3 3.52Å; F72-W100 HydrophobicContact CZ-CD2 4.23Å; F72-W100 HydrophobicContact CZ-CE3 4.15Å; F72-W100 HydrophobicContact CZ-CZ3 4.42Å; A74-W100 HydrophobicContact CB-CH2 4.01Å; A74-W100 HydrophobicContact CB-CZ2 3.6Å; H88-W100 CarbonylContact C-O 3.52Å; H88-W100 VanDerWaalsContact CA-O 3.22Å; H88-W100 WeakPolarHBondContact CA-O 3.45Å; L89-W100 HydrophobicContact CB-CB 4.36Å; L89-W100 PolarHBondContact N-O 3.07Å; L89-W100 VanDerWaalsContact O-CD1 3.31Å; L89-W100 PolarHBondContact O-N 3.41Å; S91-W100 PolarHBondContact OG-NE1 3.42Å; K98-W100 HydrophobicContact CB-CZ2 3.83Å; K98-W100 HydrophobicContact CD-CH2 4.3Å; K98-W100 HydrophobicContact CD-CZ2 3.78Å; K98-W100 HydrophobicContact CG-CZ2 4.47Å; W100-M105 HydrophobicContact CB-CE 3.96Å; W100-M105 HydrophobicContact CB-CG 3.83Å; W100-M105 HydrophobicContact CB-SD 3.43Å; W100-M105 WeakPolarHBondContact CB-SD 3.31Å; W100-M105 HydrophobicContact CG-CE 4.3Å; W100-M105 HydrophobicContact CG-SD 4.37Å; W100-E112 HydrophobicContact CE3-CB 4.36Å; W100-E112 HydrophobicContact CH2-CB 4.19Å; W100-E112 HydrophobicContact CZ3-CB 4.04Å
101	L	95.8	Very high	91.3	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.6	173.5	-79.3	171.4	0	0	0	111.1	H88 A103 E104 M105 L113	H88-L101 VanDerWaalsContact CD2-CD2 3.41Å; H88-L101 WeakPolarHBondContact CD2-CD2 3.43Å; L101-A103 PolarHBondContact O-N 3.2Å; L101-A103 VanDerWaalsContact O-N 3.1Å; L101-E104 HydrophobicContact CB-CB 3.97Å; L101-E104 HydrophobicContact CB-CG 3.89Å; L101-E104 HydrophobicContact CD1-CG 3.94Å; L101-E104 PolarHBondContact O-N 3.3Å; L101-M105 WeakPolarHBondContact O-CG 3.43Å; L101-M105 PolarHBondContact O-N 3.19Å; L101-L113 HydrophobicContact CD1-CD1 4.19Å; L101-L113 HydrophobicContact CD1-CD2 3.68Å; L101-L113 HydrophobicContact CD1-CG 4.2Å; L101-L113 HydrophobicContact CD2-CD1 3.95Å; L101-L113 HydrophobicContact CG-CD1 3.58Å; L101-L113 HydrophobicContact CG-CD2 3.94Å; L101-L113 HydrophobicContact CG-CG 3.88Å
102	W	94.6	Very high	91.1	Very high	20 Å²	20	53 Å²	53	8%	0.076	28%	0.275	C	S	.	.	H	α-helix	trans	-51.9	-39.4	176	-78.8	110	0	0	0	112.9	F38 A40 I50 R87 L89 E104 M105	F38-W102 HydrophobicContact CB-CZ3 4.12Å; A40-W102 HydrophobicContact CB-CH2 3.82Å; I50-W102 HydrophobicContact CD1-CZ3 4.12Å; I50-W102 HydrophobicContact CG2-CZ3 4.44Å; R87-W102 PolarHBondContact O-N 2.97Å; L89-W102 HydrophobicContact CB-CZ2 4.06Å; L89-W102 HydrophobicContact CD1-CH2 4.48Å; L89-W102 HydrophobicContact CD1-CZ2 3.89Å; L89-W102 HydrophobicContact CG-CZ2 4.4Å; W102-E104 VanDerWaalsContact C-N 3.29Å; W102-E104 PolarHBondContact O-N 3.19Å; W102-M105 HydrophobicContact CE3-SD 4.45Å
103	A	91.8	Very high	90.9	Very high	69 Å²	69	56.6 Å²	56.6	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-70.3	-21.3	179.8	0	0	0	0	0	114.2	L101 K107	L101-A103 PolarHBondContact O-N 3.2Å; L101-A103 VanDerWaalsContact O-N 3.1Å; A103-K107 WeakPolarHBondContact O-CE 3.29Å
104	E	91.4	Very high	91	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-101.9	-28.7	-178.4	-60.6	-167.5	167.7	0	0	112.8	L101 W102 L106 K107	L101-E104 HydrophobicContact CB-CB 3.97Å; L101-E104 HydrophobicContact CB-CG 3.89Å; L101-E104 HydrophobicContact CD1-CG 3.94Å; L101-E104 PolarHBondContact O-N 3.3Å; W102-E104 VanDerWaalsContact C-N 3.29Å; W102-E104 PolarHBondContact O-N 3.19Å; E104-L106 PolarHBondContact O-N 3.1Å; E104-K107 WeakPolarHBondContact O-CB 3.46Å; E104-K107 PolarHBondContact O-N 3.12Å
105	M	90.8	Very high	91.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-28.1	178	-68.1	170.5	82.5	0	0	113.3	I50 F72 L89 W100 L101 W102 K107	I50-M105 HydrophobicContact CD1-CE 3.76Å; I50-M105 HydrophobicContact CG1-CE 4.2Å; F72-M105 HydrophobicContact CE1-CE 3.52Å; F72-M105 HydrophobicContact CZ-CE 3.42Å; F72-M105 VanDerWaalsContact CZ-CE 3.42Å; L89-M105 HydrophobicContact CB-SD 4.19Å; L89-M105 HydrophobicContact CD2-CE 3.64Å; L89-M105 HydrophobicContact CD2-SD 4.23Å; W100-M105 HydrophobicContact CB-CE 3.96Å; W100-M105 HydrophobicContact CB-CG 3.83Å; W100-M105 HydrophobicContact CB-SD 3.43Å; W100-M105 WeakPolarHBondContact CB-SD 3.31Å; W100-M105 HydrophobicContact CG-CE 4.3Å; W100-M105 HydrophobicContact CG-SD 4.37Å; L101-M105 WeakPolarHBondContact O-CG 3.43Å; L101-M105 PolarHBondContact O-N 3.19Å; W102-M105 HydrophobicContact CE3-SD 4.45Å; M105-K107 VanDerWaalsContact C-N 3.28Å
106	L	88.1	Confident	91.5	Very high	66 Å²	66	63.9 Å²	63.9	35%	0.346	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.3	176.3	-73.3	155.4	0	0	0	112.8	F38 V69 E104	F38-L106 HydrophobicContact CD1-CD2 4.25Å; F38-L106 HydrophobicContact CD2-CD1 4.49Å; F38-L106 HydrophobicContact CE1-CD1 4.2Å; F38-L106 HydrophobicContact CE1-CD2 3.75Å; F38-L106 HydrophobicContact CE2-CD1 3.98Å; F38-L106 HydrophobicContact CZ-CD1 3.82Å; F38-L106 HydrophobicContact CZ-CD2 4.14Å; V69-L106 HydrophobicContact CG1-CD2 4.24Å; E104-L106 PolarHBondContact O-N 3.1Å
107	K	88.6	Confident	91.5	Very high	136 Å²	136	66.9 Å²	66.9	59%	0.591	33%	0.333	S	S	*	.	S	Bend	trans	-96	163	-179.9	-59.9	177.7	-175.3	170.2	0	110.6	A103 E104 M105 G109	A103-K107 WeakPolarHBondContact O-CE 3.29Å; E104-K107 WeakPolarHBondContact O-CB 3.46Å; E104-K107 PolarHBondContact O-N 3.12Å; M105-K107 VanDerWaalsContact C-N 3.28Å; K107-G109 PolarHBondContact O-N 2.68Å
108	K	78.4	Confident	91.3	Very high	218 Å²	218	67.1 Å²	67.1	95%	0.948	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	126.1	175.1	-67.7	-172.1	178.1	-176.4	0	110
109	G	72.7	Confident	90.9	Very high	60 Å²	60	69.5 Å²	69.5	62%	0.619	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	22.1	171.8	0	0	0	0	0	116.2	K107 K111	K107-G109 PolarHBondContact O-N 2.68Å; G109-K111 WeakPolarHBondContact O-CG 3.26Å; G109-K111 PolarHBondContact O-N 3.06Å; G109-K111 VanDerWaalsContact O-N 3.08Å
110	C	82.8	Confident	90.4	Very high	33 Å²	33	71.9 Å²	71.9	22%	0.223	36%	0.362	C	S	.	.			trans	-19.5	106.4	173.6	-170.4	0	0	0	0	113	F72	F72-C110 HydrophobicContact CG-CB 4.32Å
111	K	89.7	Confident	89.3	Confident	156 Å²	156	79.6 Å²	79.6	68%	0.678	39%	0.391	S	S	*	.			trans	-108.3	141.7	178.5	-60.2	-167.1	178.1	178.3	0	109.6	G109	G109-K111 WeakPolarHBondContact O-CG 3.26Å; G109-K111 PolarHBondContact O-N 3.06Å; G109-K111 VanDerWaalsContact O-N 3.08Å
112	E	93.3	Very high	88	Confident	78 Å²	78	82.4 Å²	82.4	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.4	165.4	61.4	-178.5	-140.3	0	0	109.7	K98 W100 H115	K98-E112 VanDerWaalsContact CD-OE2 3.29Å; K98-E112 WeakPolarHBondContact CD-OE2 3.4Å; K98-E112 VanDerWaalsContact CE-OE2 3.28Å; K98-E112 WeakPolarHBondContact CE-OE2 3.42Å; K98-E112 IonicContact NZ-OE2 3.18Å; K98-E112 PolarHBondContact NZ-OE2 3.08Å; W100-E112 HydrophobicContact CE3-CB 4.36Å; W100-E112 HydrophobicContact CH2-CB 4.19Å; W100-E112 HydrophobicContact CZ3-CB 4.04Å; E112-H115 IonicContact OE1-CD2 3.84Å
113	L	93.7	Very high	86.5	Confident	75 Å²	75	87.2 Å²	87.2	39%	0.393	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-46.6	174.1	-80.2	-176.4	0	0	0	111.8	H88 A99 L101	H88-L113 WeakPolarHBondContact CD2-CD1 3.33Å; A99-L113 HydrophobicContact CB-CB 4.28Å; A99-L113 PolarHBondContact O-N 2.86Å; L101-L113 HydrophobicContact CD1-CD1 4.19Å; L101-L113 HydrophobicContact CD1-CD2 3.68Å; L101-L113 HydrophobicContact CD1-CG 4.2Å; L101-L113 HydrophobicContact CD2-CD1 3.95Å; L101-L113 HydrophobicContact CG-CD1 3.58Å; L101-L113 HydrophobicContact CG-CD2 3.94Å; L101-L113 HydrophobicContact CG-CG 3.88Å
114	W	95.2	Very high	85.7	Confident	53 Å²	53	91.9 Å²	91.9	20%	0.201	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.7	-179.2	53	-104.8	0	0	0	108.7	L90 V97 K98 A99 R116 M153 L155	L90-W114 HydrophobicContact CD2-CH2 3.73Å; L90-W114 HydrophobicContact CD2-CZ2 3.68Å; V97-W114 HydrophobicContact CB-CZ3 4.43Å; V97-W114 HydrophobicContact CG1-CH2 4.22Å; V97-W114 HydrophobicContact CG1-CZ3 4.05Å; K98-W114 WeakPolarHBondContact CA-O 3.25Å; A99-W114 HydrophobicContact CB-CD2 3.52Å; A99-W114 HydrophobicContact CB-CE3 3.99Å; A99-W114 HydrophobicContact CB-CG 4.05Å; A99-W114 HydrophobicContact CB-CH2 3.9Å; A99-W114 HydrophobicContact CB-CZ2 3.43Å; A99-W114 VanDerWaalsContact CB-CZ2 3.43Å; A99-W114 HydrophobicContact CB-CZ3 4.15Å; A99-W114 PolarHBondContact N-O 3.12Å; W114-R116 HydrophobicContact CE3-CB 4.29Å; W114-R116 HydrophobicContact CE3-CG 3.76Å; W114-R116 HydrophobicContact CZ3-CB 4.14Å; W114-R116 HydrophobicContact CZ3-CG 3.94Å; W114-M153 HydrophobicContact CH2-CE 3.68Å; W114-M153 HydrophobicContact CZ3-CE 4.02Å; W114-L155 HydrophobicContact CH2-CD2 4.41Å; W114-L155 HydrophobicContact CZ2-CD2 4.32Å
115	H	95.6	Very high	85.2	Confident	89 Å²	89	95 Å²	95	41%	0.412	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.7	167.2	72.7	108.6	0	0	0	109.1	E96 V97 K98 E112	E96-H115 IonicContact OE2-CE1 3.89Å; E96-H115 IonicContact OE2-CG 2.68Å; E96-H115 IonicContact OE2-ND1 2.84Å; E96-H115 PolarHBondContact OE2-ND1 2.89Å; V97-H115 CarbonylContact O-C 3.45Å; V97-H115 VanDerWaalsContact O-CA 3.23Å; V97-H115 WeakPolarHBondContact O-CA 3.36Å; K98-H115 HydrophobicContact CG-CB 3.95Å; E112-H115 IonicContact OE1-CD2 3.84Å
116	R	96.3	Very high	85	Confident	91 Å²	91	98.6 Å²	98.6	34%	0.343	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.2	179.3	-70	-65.1	-178.3	-86.8	-1.2	109.9	V97 W114 M153 G158 F160	V97-R116 PolarHBondContact N-O 3.36Å; V97-R116 PolarHBondContact O-N 3.37Å; W114-R116 HydrophobicContact CE3-CB 4.29Å; W114-R116 HydrophobicContact CE3-CG 3.76Å; W114-R116 HydrophobicContact CZ3-CB 4.14Å; W114-R116 HydrophobicContact CZ3-CG 3.94Å; R116-M153 HydrophobicContact CB-CE 4.48Å; R116-M153 HydrophobicContact CB-SD 3.63Å; R116-M153 HydrophobicContact CG-SD 3.78Å; R116-G158 WeakPolarHBondContact CD-O 3.32Å; R116-G158 PolarHBondContact NE-O 3.5Å; R116-F160 HydrophobicContact CB-CE2 4.4Å; R116-F160 HydrophobicContact CB-CZ 4.28Å
117	Q	94.3	Very high	85.2	Confident	99 Å²	99	96.4 Å²	96.4	46%	0.463	49%	0.488	S	S	.	.			trans	-115.7	127.5	178.1	-178.3	170.1	55.3	0	0	109.4	G95 E96 Y120 F160	G95-Q117 WeakPolarHBondContact O-CG 3.28Å; E96-Q117 HydrophobicContact CB-CB 4.34Å; Q117-Y120 HydrophobicContact CG-CD2 4.15Å; Q117-Y120 HydrophobicContact CG-CE2 3.61Å; Q117-F160 WeakPolarHBondContact O-CE2 3.36Å
118	P	92.6	Very high	85.4	Confident	5 Å²	5	92.7 Å²	92.7	3%	0.032	47%	0.472	C	S	.	.			trans	-67.4	154.4	176.2	26.8	-30.9	0	0	0	111.3	Y120 L143 H151 F160	P118-Y120 HydrophobicContact CB-CE1 4.5Å; P118-Y120 HydrophobicContact CG-CD1 4.48Å; P118-Y120 HydrophobicContact CG-CE1 3.62Å; P118-Y120 HydrophobicContact CG-CE2 4.41Å; P118-Y120 PolarHBondContact O-N 3.4Å; P118-L143 HydrophobicContact CG-CD2 4.41Å; P118-H151 HydrophobicContact CB-CB 4.24Å; P118-F160 VanDerWaalsContact CA-CZ 3.41Å; P118-F160 HydrophobicContact CB-CD1 4.2Å; P118-F160 HydrophobicContact CB-CE1 3.68Å; P118-F160 HydrophobicContact CB-CE2 4.44Å; P118-F160 HydrophobicContact CB-CZ 3.83Å
119	P	90	Very high	86.3	Confident	81 Å²	81	82.5 Å²	82.5	53%	0.526	43%	0.428	S	S	.	.			trans	-71.5	104.1	179.6	28.8	-33.7	0	0	0	110.8
120	Y	86.8	Confident	87.5	Confident	50 Å²	50	81.1 Å²	81.1	20%	0.196	41%	0.407	C	S	.	.			trans	-79.9	151.8	176.4	-61.1	-51.4	0	0	0	113	G95 Q117 P118 V126 P127 D147	G95-Y120 VanDerWaalsContact C-OH 3.29Å; G95-Y120 WeakPolarHBondContact CA-OH 3.46Å; G95-Y120 PolarHBondContact O-OH 3.24Å; Q117-Y120 HydrophobicContact CG-CD2 4.15Å; Q117-Y120 HydrophobicContact CG-CE2 3.61Å; P118-Y120 HydrophobicContact CB-CE1 4.5Å; P118-Y120 HydrophobicContact CG-CD1 4.48Å; P118-Y120 HydrophobicContact CG-CE1 3.62Å; P118-Y120 HydrophobicContact CG-CE2 4.41Å; P118-Y120 PolarHBondContact O-N 3.4Å; Y120-V126 HydrophobicContact CE2-CG1 4.07Å; Y120-P127 HydrophobicContact CD1-CG 3.44Å; Y120-P127 VanDerWaalsContact CD1-CG 3.44Å; Y120-P127 HydrophobicContact CD2-CG 4.48Å; Y120-P127 HydrophobicContact CE1-CG 3.25Å; Y120-P127 HydrophobicContact CE2-CG 4.33Å; Y120-P127 HydrophobicContact CG-CG 4.07Å; Y120-P127 PolarHBondContact OH-O 3.46Å; Y120-D147 HydrophobicContact CD1-CB 4.34Å
121	R	73.1	Confident	88.2	Confident	170 Å²	170	79.9 Å²	79.9	64%	0.642	40%	0.399	S	S	*	.	S	Bend	trans	-74.9	-27.9	179.9	-64.9	-168.4	-168.7	-174.8	16.3	113.4	R165	R121-R165 VanDerWaalsContact NE-NH1 3.2Å
122	T	67.5	Low	88.6	Confident	96 Å²	96	73.3 Å²	73.3	59%	0.589	37%	0.371	S	S	*	.			trans	-137.6	140.6	-172.5	46.3	0	0	0	0	110.2
123	S	63.4	Low	88.8	Confident	121 Å²	121	70.8 Å²	70.8	85%	0.846	36%	0.36	S	S	*	.	S	Bend	trans	-91.4	-0.1	-176.1	61.2	0	0	0	0	114.7
124	L	75.6	Confident	88.8	Confident	166 Å²	166	69 Å²	69	87%	0.869	35%	0.35	S	S	*	.	S	Bend	trans	-89.1	-30.7	-172.2	-68.1	172.2	0	0	0	113.3
125	E	80.6	Confident	88.8	Confident	150 Å²	150	66.9 Å²	66.9	70%	0.701	34%	0.343	S	S	*	.			trans	-130.8	125.1	178	-67.7	179	-179.6	0	0	107.8	P127	E125-P127 WeakPolarHBondContact O-CD 3.48Å
126	V	87.6	Confident	88.2	Confident	77 Å²	77	66.7 Å²	66.7	47%	0.467	35%	0.35	S	S	.	.			trans	-87.7	108.5	173.4	178.6	0	0	0	0	106.7	D94 Y120	D94-V126 WeakPolarHBondContact O-CG1 3.48Å; Y120-V126 HydrophobicContact CE2-CG1 4.07Å
127	P	92	Very high	87.7	Confident	21 Å²	21	72.1 Å²	72.1	14%	0.136	38%	0.376	C	S	.	.			trans	-74.4	145.5	-175.2	30.7	-33.9	0	0	0	110.6	G95 Y120 E125 D147	G95-P127 VanDerWaalsContact CA-O 3.3Å; G95-P127 WeakPolarHBondContact CA-O 3.3Å; Y120-P127 HydrophobicContact CD1-CG 3.44Å; Y120-P127 VanDerWaalsContact CD1-CG 3.44Å; Y120-P127 HydrophobicContact CD2-CG 4.48Å; Y120-P127 HydrophobicContact CE1-CG 3.25Å; Y120-P127 HydrophobicContact CE2-CG 4.33Å; Y120-P127 HydrophobicContact CG-CG 4.07Å; Y120-P127 PolarHBondContact OH-O 3.46Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-D147 HydrophobicContact CB-CB 4.27Å; P127-D147 HydrophobicContact CG-CB 3.85Å
128	E	92.9	Very high	87.1	Confident	58 Å²	58	70.5 Å²	70.5	27%	0.271	37%	0.369	S	S	.	.			trans	-68.3	155.8	177.6	69.5	-80	-174.6	0	0	112.6	Y80 N130 G145 G146	Y80-E128 HydrophobicContact CD2-CB 3.96Å; Y80-E128 HydrophobicContact CE2-CB 3.65Å; Y80-E128 HydrophobicContact CE2-CG 4.25Å; E128-N130 VanDerWaalsContact CG-OD1 3.27Å; E128-N130 WeakPolarHBondContact CG-OD1 3.32Å; E128-G145 CarbonylContact O-C 3.6Å; E128-G145 VanDerWaalsContact O-CA 3.31Å; E128-G145 WeakPolarHBondContact O-CA 3.21Å; E128-G146 PolarHBondContact O-N 2.93Å
129	I	96.9	Very high	87	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	103.5	172.6	-62.3	161.8	0	0	0	107.5	Y80 A92 V97 L132 L143	Y80-I129 WeakPolarHBondContact CB-O 3.24Å; A92-I129 HydrophobicContact CB-CB 3.92Å; A92-I129 HydrophobicContact CB-CG2 3.68Å; V97-I129 HydrophobicContact CG2-CD1 4.09Å; I129-L132 HydrophobicContact CG2-CD2 3.95Å; I129-L132 HydrophobicContact CG2-CG 4.47Å; I129-L143 HydrophobicContact CD1-CD2 4.08Å; I129-L143 HydrophobicContact CG2-CB 4.37Å
130	N	97.1	Very high	87.2	Confident	31 Å²	31	70.6 Å²	70.6	17%	0.166	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-31.8	-175	-67.9	-37.6	0	0	0	112.8	E128 A144 I171	E128-N130 VanDerWaalsContact CG-OD1 3.27Å; E128-N130 WeakPolarHBondContact CG-OD1 3.32Å; N130-A144 PolarHBondContact N-O 3.19Å; N130-I171 VanDerWaalsContact CB-O 3.28Å; N130-I171 WeakPolarHBondContact CB-O 3.44Å; N130-I171 PolarHBondContact ND2-O 3.33Å
131	A	97.7	Very high	87.7	Confident	7 Å²	7	68.2 Å²	68.2	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.2	-174.3	0	0	0	0	0	112.3	A144 L174	A131-A144 PolarHBondContact N-O 2.83Å; A131-A144 PolarHBondContact O-N 3.06Å; A131-L174 HydrophobicContact CB-CB 4.36Å; A131-L174 HydrophobicContact CB-CD1 4.03Å; A131-L174 HydrophobicContact CB-CG 3.84Å
132	L	98.1	Very high	88.9	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.089	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.4	167	-67.9	-179.2	0	0	0	109.4	S81 V83 A92 V97 I129 L141 I142 L143	S81-L132 PolarHBondContact OG-N 3.44Å; S81-L132 VanDerWaalsContact OG-N 3.13Å; V83-L132 HydrophobicContact CG1-CB 4.06Å; V83-L132 HydrophobicContact CG1-CD1 4.21Å; A92-L132 HydrophobicContact CB-CD1 3.71Å; A92-L132 HydrophobicContact CB-CD2 4.2Å; A92-L132 HydrophobicContact CB-CG 3.9Å; V97-L132 HydrophobicContact CG2-CD2 3.92Å; I129-L132 HydrophobicContact CG2-CD2 3.95Å; I129-L132 HydrophobicContact CG2-CG 4.47Å; L132-L141 HydrophobicContact CB-CD1 4.31Å; L132-L141 HydrophobicContact CD2-CD1 4.37Å; L132-L141 HydrophobicContact CD2-CD2 4.15Å; L132-L141 HydrophobicContact CD2-CG 4.35Å; L132-I142 WeakPolarHBondContact CA-O 3.31Å; L132-L143 HydrophobicContact CD2-CB 4.35Å; L132-L143 HydrophobicContact CD2-CD2 4.45Å; L132-L143 HydrophobicContact CD2-CG 3.87Å
133	L	97.2	Very high	90.3	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.9	174.1	-177.9	68.9	0	0	0	110	I142 L174 L176 V183	L133-I142 HydrophobicContact CB-CB 4.33Å; L133-I142 PolarHBondContact N-O 2.94Å; L133-I142 PolarHBondContact O-N 3Å; L133-L174 HydrophobicContact CB-CB 3.92Å; L133-L174 HydrophobicContact CB-CD1 3.79Å; L133-L174 HydrophobicContact CD2-CB 4.08Å; L133-L174 HydrophobicContact CG-CB 4.48Å; L133-L176 HydrophobicContact CD1-CB 4.03Å; L133-L176 HydrophobicContact CD2-CB 4.01Å; L133-L176 HydrophobicContact CG-CB 4.38Å; L133-V183 HydrophobicContact CD2-CB 4.48Å; L133-V183 HydrophobicContact CD2-CG1 3.74Å; L133-V183 HydrophobicContact CD2-CG2 3.97Å
134	L	95.4	Very high	91.9	Very high	38 Å²	38	50 Å²	50	20%	0.199	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.4	171.8	-173.4	68.4	0	0	0	109.4	V83 T85 P136 L155	V83-L134 HydrophobicContact CG2-CB 3.89Å; T85-L134 HydrophobicContact CG2-CD1 4Å; T85-L134 HydrophobicContact CG2-CD2 4.1Å; L134-P136 HydrophobicContact CD2-CG 4.44Å; L134-P136 HydrophobicContact CG-CG 4.4Å; L134-P136 WeakPolarHBondContact O-CD 3.5Å; L134-L155 HydrophobicContact CD1-CD1 3.53Å
135	V	93.6	Very high	92.9	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	90.6	173	-174.8	0	0	0	0	108	K137 E138 N139 S140 I142 L176 L197	V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.43Å; V135-E138 HydrophobicContact CG1-CB 4.33Å; V135-E138 PolarHBondContact O-N 2.97Å; V135-N139 PolarHBondContact O-N 2.92Å; V135-S140 PolarHBondContact N-O 2.93Å; V135-S140 PolarHBondContact O-N 3.46Å; V135-I142 HydrophobicContact CG2-CD1 3.73Å; V135-I142 HydrophobicContact CG2-CG1 4.11Å; V135-L176 HydrophobicContact CG1-CD1 4.47Å; V135-L176 HydrophobicContact CG2-CD1 4.34Å; V135-L197 HydrophobicContact CG1-CD1 4.1Å; V135-L197 HydrophobicContact CG2-CD1 4.33Å
136	P	83.7	Confident	93.6	Very high	86 Å²	86	35.5 Å²	35.5	56%	0.558	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-61.6	-39	-167.7	-25.7	35.1	0	0	0	113.6	L134 E138 N139	L134-P136 HydrophobicContact CD2-CG 4.44Å; L134-P136 HydrophobicContact CG-CG 4.4Å; L134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-E138 VanDerWaalsContact C-N 3.26Å; P136-E138 PolarHBondContact O-N 3.12Å; P136-N139 PolarHBondContact O-N 3.4Å; P136-N139 VanDerWaalsContact O-N 3.15Å
137	K	84.9	Confident	93.9	Very high	204 Å²	204	33.3 Å²	33.3	89%	0.887	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-63.2	-29.8	-176.1	-171.5	177.3	178.6	178.8	0	113.6	V135	V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.43Å
138	E	83.4	Confident	94.1	Very high	66 Å²	66	33.6 Å²	33.6	31%	0.308	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-106.4	7.5	179.6	-64.5	-174.5	-163.1	0	0	112	V135 P136 S140 R162	V135-E138 HydrophobicContact CG1-CB 4.33Å; V135-E138 PolarHBondContact O-N 2.97Å; P136-E138 VanDerWaalsContact C-N 3.26Å; P136-E138 PolarHBondContact O-N 3.12Å; E138-S140 PolarHBondContact O-N 3.35Å; E138-S140 VanDerWaalsContact O-N 3.09Å; E138-S140 PolarHBondContact O-OG 3.26Å; E138-R162 IonicContact OE2-CZ 3.93Å; E138-R162 IonicContact OE2-NH1 3.66Å; E138-R162 PolarHBondContact OE2-NH1 2.95Å; E138-R162 IonicContact OE2-NH2 2.85Å
139	N	90.1	Very high	94.2	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	44.3	-171.4	-168	35.7	0	0	0	112.5	V135 P136 L155	V135-N139 PolarHBondContact O-N 2.92Å; P136-N139 PolarHBondContact O-N 3.4Å; P136-N139 VanDerWaalsContact O-N 3.15Å; N139-L155 VanDerWaalsContact O-CB 3.29Å; N139-L155 WeakPolarHBondContact O-CB 3.45Å; N139-L155 PolarHBondContact O-N 2.73Å
140	S	94.2	Very high	94.2	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149	-170.7	-69.4	0	0	0	0	110.9	V135 E138 M153	V135-S140 PolarHBondContact N-O 2.93Å; V135-S140 PolarHBondContact O-N 3.46Å; E138-S140 PolarHBondContact O-N 3.35Å; E138-S140 VanDerWaalsContact O-N 3.09Å; E138-S140 PolarHBondContact O-OG 3.26Å; S140-M153 CarbonylContact C-O 3.5Å; S140-M153 WeakPolarHBondContact CA-O 3.35Å
141	L	97.3	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.4	173.6	-176.6	71.1	0	0	0	109.2	V83 L90 V97 L132 L143 T152 M153 L155	V83-L141 HydrophobicContact CG1-CD1 3.91Å; L90-L141 HydrophobicContact CD1-CD1 4.02Å; L90-L141 HydrophobicContact CD1-CD2 4.01Å; V97-L141 HydrophobicContact CG1-CD2 4.08Å; V97-L141 HydrophobicContact CG2-CD2 4.49Å; L132-L141 HydrophobicContact CB-CD1 4.31Å; L132-L141 HydrophobicContact CD2-CD1 4.37Å; L132-L141 HydrophobicContact CD2-CD2 4.15Å; L132-L141 HydrophobicContact CD2-CG 4.35Å; L141-L143 HydrophobicContact CD2-CD1 4.24Å; L141-L143 HydrophobicContact CD2-CG 4.44Å; L141-L143 HydrophobicContact CG-CD1 4.23Å; L141-T152 WeakPolarHBondContact O-CA 3.37Å; L141-M153 HydrophobicContact CB-CE 4.37Å; L141-M153 HydrophobicContact CD2-CE 3.8Å; L141-M153 PolarHBondContact N-O 3.33Å; L141-M153 PolarHBondContact O-N 2.95Å; L141-L155 HydrophobicContact CB-CD2 3.92Å; L141-L155 HydrophobicContact CB-CG 4.21Å; L141-L155 HydrophobicContact CD2-CD2 4.48Å
142	I	97.6	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.8	172.2	-59.6	174.4	0	0	0	108.9	L132 L133 V135 L150 H151 T152 L174 V183 L197	L132-I142 WeakPolarHBondContact CA-O 3.31Å; L133-I142 HydrophobicContact CB-CB 4.33Å; L133-I142 PolarHBondContact N-O 2.94Å; L133-I142 PolarHBondContact O-N 3Å; V135-I142 HydrophobicContact CG2-CD1 3.73Å; V135-I142 HydrophobicContact CG2-CG1 4.11Å; I142-L150 HydrophobicContact CG2-CB 4.11Å; I142-L150 HydrophobicContact CG2-CD2 4.13Å; I142-L150 HydrophobicContact CG2-CG 4.5Å; I142-H151 CarbonylContact C-O 3.52Å; I142-H151 VanDerWaalsContact CA-O 3.32Å; I142-H151 WeakPolarHBondContact CA-O 3.38Å; I142-T152 HydrophobicContact CG1-CG2 4.32Å; I142-L174 HydrophobicContact CB-CD1 4.32Å; I142-L174 HydrophobicContact CG2-CD1 3.8Å; I142-V183 HydrophobicContact CD1-CB 4.32Å; I142-V183 HydrophobicContact CD1-CG1 4.19Å; I142-V183 HydrophobicContact CD1-CG2 3.6Å; I142-L197 HydrophobicContact CD1-CD1 4.48Å; I142-L197 HydrophobicContact CD1-CD2 3.87Å
143	L	97.9	Very high	94.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	178.1	-53.7	80.3	0	0	0	108.7	V97 P118 I129 L132 L141 L150 H151 M153 F160	V97-L143 HydrophobicContact CG2-CD2 3.38Å; V97-L143 HydrophobicContact CG2-CG 4.2Å; P118-L143 HydrophobicContact CG-CD2 4.41Å; I129-L143 HydrophobicContact CD1-CD2 4.08Å; I129-L143 HydrophobicContact CG2-CB 4.37Å; L132-L143 HydrophobicContact CD2-CB 4.35Å; L132-L143 HydrophobicContact CD2-CD2 4.45Å; L132-L143 HydrophobicContact CD2-CG 3.87Å; L141-L143 HydrophobicContact CD2-CD1 4.24Å; L141-L143 HydrophobicContact CD2-CG 4.44Å; L141-L143 HydrophobicContact CG-CD1 4.23Å; L143-L150 WeakPolarHBondContact O-CA 3.36Å; L143-H151 HydrophobicContact CB-CB 4.45Å; L143-H151 HydrophobicContact CD1-CB 4.48Å; L143-H151 WeakPolarHBondContact CD1-O 3.33Å; L143-H151 PolarHBondContact N-O 2.99Å; L143-H151 PolarHBondContact O-N 3.13Å; L143-M153 HydrophobicContact CD1-CB 4.04Å; L143-F160 HydrophobicContact CD1-CE1 3.92Å; L143-F160 HydrophobicContact CD2-CE1 4.21Å
144	A	97.3	Very high	94	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.8	174.1	0	0	0	0	0	111.5	N130 A131 L150 I171 L174	N130-A144 PolarHBondContact N-O 3.19Å; A131-A144 PolarHBondContact N-O 2.83Å; A131-A144 PolarHBondContact O-N 3.06Å; A144-L150 HydrophobicContact CB-CG 4.26Å; A144-I171 HydrophobicContact CB-CB 3.88Å; A144-I171 HydrophobicContact CB-CD1 3.94Å; A144-I171 HydrophobicContact CB-CG2 3.62Å; A144-L174 HydrophobicContact CB-CD1 3.88Å; A144-L174 HydrophobicContact CB-CD2 4.01Å; A144-L174 HydrophobicContact CB-CG 4.08Å
145	G	95.6	Very high	94	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-180	-132.9	-178.8	0	0	0	0	0	113.9	E128 D147 C148 I171	E128-G145 CarbonylContact O-C 3.6Å; E128-G145 VanDerWaalsContact O-CA 3.31Å; E128-G145 WeakPolarHBondContact O-CA 3.21Å; G145-D147 VanDerWaalsContact C-N 3.3Å; G145-D147 PolarHBondContact O-N 3.19Å; G145-C148 PolarHBondContact O-N 2.97Å; G145-I171 PolarHBondContact O-N 3.46Å
146	G	94.8	Very high	93.9	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.1	-169.1	0	0	0	0	0	115.9	E128 C148 Y170	E128-G146 PolarHBondContact O-N 2.93Å; G146-C148 VanDerWaalsContact C-N 3.28Å; G146-C148 PolarHBondContact O-N 3.03Å; G146-Y170 VanDerWaalsContact CA-CD1 3.44Å; G146-Y170 WeakPolarHBondContact O-CD1 2.94Å; G146-Y170 WeakPolarHBondContact O-CE1 3.46Å
147	D	94.1	Very high	94.4	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7.3	179.4	84.2	-31.2	0	0	0	113.9	Y120 P127 G145 Q149 H151	Y120-D147 HydrophobicContact CD1-CB 4.34Å; P127-D147 HydrophobicContact CB-CB 4.27Å; P127-D147 HydrophobicContact CG-CB 3.85Å; G145-D147 VanDerWaalsContact C-N 3.3Å; G145-D147 PolarHBondContact O-N 3.19Å; D147-Q149 PolarHBondContact O-N 2.95Å; D147-Q149 VanDerWaalsContact O-N 3.12Å; D147-Q149 PolarHBondContact O-NE2 3.01Å; D147-Q149 VanDerWaalsContact O-NE2 3.12Å; D147-Q149 PolarHBondContact OD1-N 2.77Å; D147-Q149 VanDerWaalsContact OD1-N 3.12Å; D147-H151 IonicContact OD1-NE2 3.61Å; D147-H151 IonicContact OD2-CD2 3.69Å; D147-H151 IonicContact OD2-CE1 2.66Å; D147-H151 IonicContact OD2-NE2 2.73Å; D147-H151 PolarHBondContact OD2-NE2 2.98Å
148	C	95.6	Very high	94.8	Very high	27 Å²	27	27.2 Å²	27.2	18%	0.182	15%	0.149	C	C	.	.	S	Bend	trans	57.7	20	178.9	-45.1	0	0	0	0	114.1	G145 G146 D169	G145-C148 PolarHBondContact O-N 2.97Å; G146-C148 VanDerWaalsContact C-N 3.28Å; G146-C148 PolarHBondContact O-N 3.03Å; C148-D169 VanDerWaalsContact SG-CA 3.54Å; C148-D169 PolarHBondContact SG-O 3.48Å
149	Q	95.7	Very high	95.3	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.3	-177.4	-71.4	164.8	84.1	0	0	110.9	D147 V163 L164 R165	D147-Q149 PolarHBondContact O-N 2.95Å; D147-Q149 VanDerWaalsContact O-N 3.12Å; D147-Q149 PolarHBondContact O-NE2 3.01Å; D147-Q149 VanDerWaalsContact O-NE2 3.12Å; D147-Q149 PolarHBondContact OD1-N 2.77Å; D147-Q149 VanDerWaalsContact OD1-N 3.12Å; Q149-V163 HydrophobicContact CB-CG1 4.21Å; Q149-V163 HydrophobicContact CG-CG1 4.33Å; Q149-L164 WeakPolarHBondContact CA-O 3.47Å; Q149-R165 HydrophobicContact CG-CG 4.09Å
150	L	97.6	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.1	168.4	-61.3	74.9	0	0	0	108.2	I142 L143 A144 V163 L164 I171 L174 V183 W195	I142-L150 HydrophobicContact CG2-CB 4.11Å; I142-L150 HydrophobicContact CG2-CD2 4.13Å; I142-L150 HydrophobicContact CG2-CG 4.5Å; L143-L150 WeakPolarHBondContact O-CA 3.36Å; A144-L150 HydrophobicContact CB-CG 4.26Å; L150-V163 CarbonylContact O-C 3.56Å; L150-V163 WeakPolarHBondContact O-CA 3.24Å; L150-L164 HydrophobicContact CB-CB 4.07Å; L150-L164 HydrophobicContact CB-CD1 4.14Å; L150-L164 HydrophobicContact CB-CG 4.38Å; L150-L164 HydrophobicContact CD1-CB 4.47Å; L150-L164 HydrophobicContact CD2-CD1 4.22Å; L150-L164 PolarHBondContact N-O 3.48Å; L150-L164 VanDerWaalsContact N-O 3.08Å; L150-L164 PolarHBondContact O-N 3.29Å; L150-I171 HydrophobicContact CD1-CD1 3.49Å; L150-I171 VanDerWaalsContact CD1-CD1 3.49Å; L150-I171 HydrophobicContact CG-CD1 4.1Å; L150-L174 HydrophobicContact CD2-CD2 3.73Å; L150-L174 HydrophobicContact CG-CD2 4.3Å; L150-V183 HydrophobicContact CD2-CG1 4.34Å; L150-W195 HydrophobicContact CD1-CZ2 3.87Å; L150-W195 HydrophobicContact CD2-CG 4.43Å
151	H	97.1	Very high	95.6	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.2	174.6	-64	-97.5	0	0	0	109.5	P118 I142 L143 D147 F160	P118-H151 HydrophobicContact CB-CB 4.24Å; I142-H151 CarbonylContact C-O 3.52Å; I142-H151 VanDerWaalsContact CA-O 3.32Å; I142-H151 WeakPolarHBondContact CA-O 3.38Å; L143-H151 HydrophobicContact CB-CB 4.45Å; L143-H151 HydrophobicContact CD1-CB 4.48Å; L143-H151 WeakPolarHBondContact CD1-O 3.33Å; L143-H151 PolarHBondContact N-O 2.99Å; L143-H151 PolarHBondContact O-N 3.13Å; D147-H151 IonicContact OD1-NE2 3.61Å; D147-H151 IonicContact OD2-CD2 3.69Å; D147-H151 IonicContact OD2-CE1 2.66Å; D147-H151 IonicContact OD2-NE2 2.73Å; D147-H151 PolarHBondContact OD2-NE2 2.98Å; H151-F160 HydrophobicContact CB-CD1 4.01Å; H151-F160 HydrophobicContact CB-CE1 4.31Å
152	T	96.9	Very high	95.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.4	171.9	-49.7	0	0	0	0	109.3	L141 I142 F160 T161 R162	L141-T152 WeakPolarHBondContact O-CA 3.37Å; I142-T152 HydrophobicContact CG1-CG2 4.32Å; T152-F160 CarbonylContact O-C 3.49Å; T152-F160 WeakPolarHBondContact O-CA 3.44Å; T152-T161 PolarHBondContact O-N 2.83Å; T152-T161 PolarHBondContact O-OG1 3.47Å; T152-R162 PolarHBondContact N-O 2.73Å
153	M	97.1	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.9	177.2	-173.8	178.3	76.7	0	0	110.1	W114 R116 S140 L141 L143 L155 T159 F160	W114-M153 HydrophobicContact CH2-CE 3.68Å; W114-M153 HydrophobicContact CZ3-CE 4.02Å; R116-M153 HydrophobicContact CB-CE 4.48Å; R116-M153 HydrophobicContact CB-SD 3.63Å; R116-M153 HydrophobicContact CG-SD 3.78Å; S140-M153 CarbonylContact C-O 3.5Å; S140-M153 WeakPolarHBondContact CA-O 3.35Å; L141-M153 HydrophobicContact CB-CE 4.37Å; L141-M153 HydrophobicContact CD2-CE 3.8Å; L141-M153 PolarHBondContact N-O 3.33Å; L141-M153 PolarHBondContact O-N 2.95Å; L143-M153 HydrophobicContact CD1-CB 4.04Å; M153-L155 HydrophobicContact CE-CD2 3.93Å; M153-T159 WeakPolarHBondContact CA-O 3.34Å; M153-F160 HydrophobicContact CB-CD1 3.89Å; M153-F160 HydrophobicContact CB-CE1 3.85Å; M153-F160 HydrophobicContact CG-CD1 4.31Å; M153-F160 HydrophobicContact CG-CE1 4.17Å; M153-F160 HydrophobicContact CG-CZ 4.4Å; M153-F160 HydrophobicContact SD-CE1 4.05Å; M153-F160 HydrophobicContact SD-CE2 4.33Å; M153-F160 HydrophobicContact SD-CZ 3.82Å
154	D	95.3	Very high	95.3	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.7	169.6	177.2	-65.1	0	0	0	109.3	E156 T157 G158 T159 T161	D154-E156 VanDerWaalsContact C-N 3.34Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 WeakPolarHBondContact OD1-CA 3.33Å; D154-E156 WeakPolarHBondContact OD1-CB 3.5Å; D154-E156 PolarHBondContact OD1-N 3.06Å; D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 VanDerWaalsContact CG-OG1 3.31Å; D154-T157 PolarHBondContact OD1-N 2.7Å; D154-T157 PolarHBondContact OD1-OG1 3.02Å; D154-G158 WeakPolarHBondContact O-CA 3.37Å; D154-G158 PolarHBondContact O-N 3.43Å; D154-T159 PolarHBondContact N-O 2.89Å; D154-T161 HydrophobicContact CB-CG2 4.07Å
155	L	94.3	Very high	95.2	Very high	32 Å²	32	42 Å²	42	17%	0.168	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.3	-175.1	-72	172.2	0	0	0	114	T85 L90 W114 L134 N139 L141 M153	T85-L155 HydrophobicContact CG2-CD1 4.48Å; L90-L155 HydrophobicContact CD1-CD2 3.94Å; W114-L155 HydrophobicContact CH2-CD2 4.41Å; W114-L155 HydrophobicContact CZ2-CD2 4.32Å; L134-L155 HydrophobicContact CD1-CD1 3.53Å; N139-L155 VanDerWaalsContact O-CB 3.29Å; N139-L155 WeakPolarHBondContact O-CB 3.45Å; N139-L155 PolarHBondContact O-N 2.73Å; L141-L155 HydrophobicContact CB-CD2 3.92Å; L141-L155 HydrophobicContact CB-CG 4.21Å; L141-L155 HydrophobicContact CD2-CD2 4.48Å; M153-L155 HydrophobicContact CE-CD2 3.93Å
156	E	91.8	Very high	95.3	Very high	168 Å²	168	43.1 Å²	43.1	79%	0.785	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-47	179.1	-177.3	173.2	-178.1	0	0	110.9	D154	D154-E156 VanDerWaalsContact C-N 3.34Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 WeakPolarHBondContact OD1-CA 3.33Å; D154-E156 WeakPolarHBondContact OD1-CB 3.5Å; D154-E156 PolarHBondContact OD1-N 3.06Å
157	T	93.3	Very high	95.4	Very high	76 Å²	76	43.3 Å²	43.3	47%	0.466	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-22.3	-178.1	62.4	0	0	0	0	112.7	D154 T159	D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 VanDerWaalsContact CG-OG1 3.31Å; D154-T157 PolarHBondContact OD1-N 2.7Å; D154-T157 PolarHBondContact OD1-OG1 3.02Å; T157-T159 PolarHBondContact O-N 3.31Å; T157-T159 PolarHBondContact OG1-N 2.97Å; T157-T159 PolarHBondContact OG1-OG1 3.46Å
158	G	93.2	Very high	95.6	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.252	C	S	.	.			trans	67.4	25.9	-173	0	0	0	0	0	112.8	R116 D154	R116-G158 WeakPolarHBondContact CD-O 3.32Å; R116-G158 PolarHBondContact NE-O 3.5Å; D154-G158 WeakPolarHBondContact O-CA 3.37Å; D154-G158 PolarHBondContact O-N 3.43Å
159	T	94.9	Very high	95.7	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	26%	0.258	S	S	.	.			trans	-99.4	140.9	-179.4	63	0	0	0	0	111.2	M153 D154 T157	M153-T159 WeakPolarHBondContact CA-O 3.34Å; D154-T159 PolarHBondContact N-O 2.89Å; T157-T159 PolarHBondContact O-N 3.31Å; T157-T159 PolarHBondContact OG1-N 2.97Å; T157-T159 PolarHBondContact OG1-OG1 3.46Å
160	F	95.8	Very high	95.7	Very high	54 Å²	54	52.9 Å²	52.9	24%	0.237	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.1	172.9	-67.1	-82.4	0	0	0	109.4	R116 Q117 P118 L143 H151 T152 M153	R116-F160 HydrophobicContact CB-CE2 4.4Å; R116-F160 HydrophobicContact CB-CZ 4.28Å; Q117-F160 WeakPolarHBondContact O-CE2 3.36Å; P118-F160 VanDerWaalsContact CA-CZ 3.41Å; P118-F160 HydrophobicContact CB-CD1 4.2Å; P118-F160 HydrophobicContact CB-CE1 3.68Å; P118-F160 HydrophobicContact CB-CE2 4.44Å; P118-F160 HydrophobicContact CB-CZ 3.83Å; L143-F160 HydrophobicContact CD1-CE1 3.92Å; L143-F160 HydrophobicContact CD2-CE1 4.21Å; H151-F160 HydrophobicContact CB-CD1 4.01Å; H151-F160 HydrophobicContact CB-CE1 4.31Å; T152-F160 CarbonylContact O-C 3.49Å; T152-F160 WeakPolarHBondContact O-CA 3.44Å; M153-F160 HydrophobicContact CB-CD1 3.89Å; M153-F160 HydrophobicContact CB-CE1 3.85Å; M153-F160 HydrophobicContact CG-CD1 4.31Å; M153-F160 HydrophobicContact CG-CE1 4.17Å; M153-F160 HydrophobicContact CG-CZ 4.4Å; M153-F160 HydrophobicContact SD-CE1 4.05Å; M153-F160 HydrophobicContact SD-CE2 4.33Å; M153-F160 HydrophobicContact SD-CZ 3.82Å
161	T	94.6	Very high	95.7	Very high	73 Å²	73	52.9 Å²	52.9	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-30	-168.6	57.1	0	0	0	0	113.2	T152 D154	T152-T161 PolarHBondContact O-N 2.83Å; T152-T161 PolarHBondContact O-OG1 3.47Å; D154-T161 HydrophobicContact CB-CG2 4.07Å
162	R	94.2	Very high	95.8	Very high	72 Å²	72	55.3 Å²	55.3	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.4	-175.7	-55.8	173.4	-177.3	143.4	1.9	110.9	E138 T152 L197	E138-R162 IonicContact OE2-CZ 3.93Å; E138-R162 IonicContact OE2-NH1 3.66Å; E138-R162 PolarHBondContact OE2-NH1 2.95Å; E138-R162 IonicContact OE2-NH2 2.85Å; T152-R162 PolarHBondContact N-O 2.73Å; R162-L197 PolarHBondContact NE-O 2.93Å; R162-L197 PolarHBondContact NH1-O 2.85Å
163	V	95.7	Very high	95.8	Very high	55 Å²	55	55.9 Å²	55.9	33%	0.333	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.6	171	-177.4	0	0	0	0	108.4	Q149 L150 R165	Q149-V163 HydrophobicContact CB-CG1 4.21Å; Q149-V163 HydrophobicContact CG-CG1 4.33Å; L150-V163 CarbonylContact O-C 3.56Å; L150-V163 WeakPolarHBondContact O-CA 3.24Å; V163-R165 HydrophobicContact CG1-CG 4.17Å
164	L	96.6	Very high	95.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.5	179	-48.6	172.6	0	0	0	109.3	Q149 L150 W195 A200	Q149-L164 WeakPolarHBondContact CA-O 3.47Å; L150-L164 HydrophobicContact CB-CB 4.07Å; L150-L164 HydrophobicContact CB-CD1 4.14Å; L150-L164 HydrophobicContact CB-CG 4.38Å; L150-L164 HydrophobicContact CD1-CB 4.47Å; L150-L164 HydrophobicContact CD2-CD1 4.22Å; L150-L164 PolarHBondContact N-O 3.48Å; L150-L164 VanDerWaalsContact N-O 3.08Å; L150-L164 PolarHBondContact O-N 3.29Å; L164-W195 HydrophobicContact CB-CD2 4.1Å; L164-W195 HydrophobicContact CB-CE3 3.7Å; L164-W195 HydrophobicContact CB-CH2 4.26Å; L164-W195 HydrophobicContact CB-CZ3 3.78Å; L164-W195 HydrophobicContact CD1-CB 3.84Å; L164-W195 HydrophobicContact CD1-CD2 3.96Å; L164-W195 HydrophobicContact CD1-CE3 4.07Å; L164-W195 HydrophobicContact CD1-CG 3.86Å; L164-W195 HydrophobicContact CD2-CE3 4.35Å; L164-W195 HydrophobicContact CG-CE3 4.26Å; L164-A200 HydrophobicContact CD2-CB 3.75Å; L164-A200 WeakPolarHBondContact CD2-O 3.39Å
165	R	96.1	Very high	95.9	Very high	141 Å²	141	55.4 Å²	55.4	53%	0.532	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	-174	-55.7	-177.1	-177.2	-123.8	-7.3	109.6	R121 Q149 V163	R121-R165 VanDerWaalsContact NE-NH1 3.2Å; Q149-R165 HydrophobicContact CG-CG 4.09Å; V163-R165 HydrophobicContact CG1-CG 4.17Å
166	G	95.9	Very high	95.9	Very high	25 Å²	25	55.4 Å²	55.4	26%	0.258	29%	0.289	S	S	.	.			trans	178.6	-34.9	175.3	0	0	0	0	0	113.6	R193	G166-R193 VanDerWaalsContact C-CZ 3.47Å; G166-R193 VanDerWaalsContact C-NE 3.33Å; G166-R193 PolarHBondContact O-NE 3.12Å; G166-R193 PolarHBondContact O-NH2 3.34Å
167	H	97.9	Very high	95.8	Very high	13 Å²	13	48.8 Å²	48.8	6%	0.06	26%	0.257	C	S	.	.			trans	-63.1	140.7	172.9	-79	-73.1	0	0	0	111.6	I171 S185 D189 A191	H167-I171 HydrophobicContact CB-CD1 4.36Å; H167-I171 HydrophobicContact CB-CG1 4.08Å; H167-S185 PolarHBondContact CD2-OG 2.88Å; H167-S185 WeakPolarHBondContact NE2-CB 3.5Å; H167-S185 PolarHBondContact NE2-OG 3.45Å; H167-D189 WeakPolarHBondContact CA-OD2 3.22Å; H167-D189 IonicContact CE1-OD1 3.06Å; H167-D189 IonicContact CE1-OD2 2.84Å; H167-D189 IonicContact CG-OD2 3.98Å; H167-D189 VanDerWaalsContact ND1-CG 3.29Å; H167-D189 IonicContact ND1-OD1 3.89Å; H167-D189 PolarHBondContact ND1-OD1 3.31Å; H167-D189 IonicContact ND1-OD2 3.57Å; H167-D189 PolarHBondContact ND1-OD2 3.35Å; H167-A191 PolarHBondContact CE1-O 3.47Å
168	T	97.5	Very high	94.9	Very high	110 Å²	110	53 Å²	53	68%	0.675	27%	0.271	S	S	*	.	S	Bend	trans	-97.1	-7.1	179.6	59.6	0	0	0	0	113.2	D189	T168-D189 PolarHBondContact N-OD2 3.31Å; T168-D189 VanDerWaalsContact N-OD2 3.16Å; T168-D189 WeakPolarHBondContact OG1-CB 3.47Å
169	D	97.3	Very high	94	Very high	57 Å²	57	61.8 Å²	61.8	31%	0.305	30%	0.3	S	S	.	.	S	Bend	trans	-152	176.8	-176.6	-151.2	-27.3	0	0	0	109.1	C148 E188 D189	C148-D169 VanDerWaalsContact SG-CA 3.54Å; C148-D169 PolarHBondContact SG-O 3.48Å; D169-E188 HydrophobicContact CB-CB 3.88Å; D169-E188 HydrophobicContact CB-CG 4.43Å; D169-D189 HydrophobicContact CB-CB 4.05Å
170	Y	96.1	Very high	93	Very high	99 Å²	99	59.4 Å²	59.4	39%	0.388	29%	0.286	S	S	.	.			trans	-57.4	144.5	-170	-56.6	-19.6	0	0	0	113.2	G146 G187 E188	G146-Y170 VanDerWaalsContact CA-CD1 3.44Å; G146-Y170 WeakPolarHBondContact O-CD1 2.94Å; G146-Y170 WeakPolarHBondContact O-CE1 3.46Å; Y170-G187 CarbonylContact O-C 3.53Å; Y170-G187 WeakPolarHBondContact O-CA 3.48Å; Y170-E188 PolarHBondContact O-N 3.48Å
171	I	98.4	Very high	92.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.7	177.3	-57.2	165.1	0	0	0	108.6	N130 A144 G145 L150 H167 L174	N130-I171 VanDerWaalsContact CB-O 3.28Å; N130-I171 WeakPolarHBondContact CB-O 3.44Å; N130-I171 PolarHBondContact ND2-O 3.33Å; A144-I171 HydrophobicContact CB-CB 3.88Å; A144-I171 HydrophobicContact CB-CD1 3.94Å; A144-I171 HydrophobicContact CB-CG2 3.62Å; G145-I171 PolarHBondContact O-N 3.46Å; L150-I171 HydrophobicContact CD1-CD1 3.49Å; L150-I171 VanDerWaalsContact CD1-CD1 3.49Å; L150-I171 HydrophobicContact CG-CD1 4.1Å; H167-I171 HydrophobicContact CB-CD1 4.36Å; H167-I171 HydrophobicContact CB-CG1 4.08Å; I171-L174 HydrophobicContact CG2-CD2 4.43Å
172	H	98.1	Very high	92	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.259	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-33.8	-177	-69.9	-56.1	0	0	0	113.3	G186 E188 I223	H172-G186 PolarHBondContact N-O 3.16Å; H172-E188 IonicContact CD2-OE2 3.61Å; H172-E188 IonicContact CE1-OE2 2.89Å; H172-E188 IonicContact NE2-OE2 3.74Å; H172-E188 PolarHBondContact NE2-OE2 2.7Å; H172-I223 WeakPolarHBondContact CB-O 3.41Å; H172-I223 PolarHBondContact CD2-O 3.15Å; H172-I223 VanDerWaalsContact CD2-O 3.31Å
173	C	98.1	Very high	92.1	Very high	14 Å²	14	54.4 Å²	54.4	10%	0.095	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.6	-171.7	59.4	0	0	0	0	112.7	S185 G186	C173-S185 WeakPolarHBondContact O-CA 3.41Å; C173-G186 PolarHBondContact N-O 2.8Å; C173-G186 PolarHBondContact O-N 3.04Å
174	L	98.2	Very high	92.1	Very high	21 Å²	21	51.8 Å²	51.8	11%	0.11	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.3	177	-64.3	174.3	0	0	0	109.4	A131 L133 I142 A144 L150 I171 V183 L184	A131-L174 HydrophobicContact CB-CB 4.36Å; A131-L174 HydrophobicContact CB-CD1 4.03Å; A131-L174 HydrophobicContact CB-CG 3.84Å; L133-L174 HydrophobicContact CB-CB 3.92Å; L133-L174 HydrophobicContact CB-CD1 3.79Å; L133-L174 HydrophobicContact CD2-CB 4.08Å; L133-L174 HydrophobicContact CG-CB 4.48Å; I142-L174 HydrophobicContact CB-CD1 4.32Å; I142-L174 HydrophobicContact CG2-CD1 3.8Å; A144-L174 HydrophobicContact CB-CD1 3.88Å; A144-L174 HydrophobicContact CB-CD2 4.01Å; A144-L174 HydrophobicContact CB-CG 4.08Å; L150-L174 HydrophobicContact CD2-CD2 3.73Å; L150-L174 HydrophobicContact CG-CD2 4.3Å; I171-L174 HydrophobicContact CG2-CD2 4.43Å; L174-V183 HydrophobicContact CD2-CG1 4.31Å; L174-L184 CarbonylContact C-O 3.52Å; L174-L184 VanDerWaalsContact CA-O 3.28Å; L174-L184 WeakPolarHBondContact CA-O 3.18Å
175	A	96.6	Very high	92.2	Very high	9 Å²	9	51.7 Å²	51.7	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.5	170.5	0	0	0	0	0	110.5	L184 L226 T228	A175-L184 HydrophobicContact CB-CB 4.32Å; A175-L184 PolarHBondContact N-O 3.24Å; A175-L184 PolarHBondContact O-N 3.44Å; A175-L226 HydrophobicContact CB-CB 4.13Å; A175-T228 HydrophobicContact CB-CG2 4.09Å
176	L	93.9	Very high	92.4	Very high	31 Å²	31	45 Å²	45	16%	0.162	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.9	175.3	-175.1	66	0	0	0	109.8	L133 V135 V183 T228	L133-L176 HydrophobicContact CD1-CB 4.03Å; L133-L176 HydrophobicContact CD2-CB 4.01Å; L133-L176 HydrophobicContact CG-CB 4.38Å; V135-L176 HydrophobicContact CG1-CD1 4.47Å; V135-L176 HydrophobicContact CG2-CD1 4.34Å; L176-V183 HydrophobicContact CD1-CG2 3.87Å; L176-T228 PolarHBondContact O-OG1 2.98Å
177	R	90.1	Very high	92.4	Very high	30 Å²	30	43.8 Å²	43.8	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.5	167.7	-174	168.9	175.6	-148.8	2.3	108.2	R179 S180 E182 L184 S230 D231	R177-R179 VanDerWaalsContact C-N 3.34Å; R177-R179 PolarHBondContact O-N 3.37Å; R177-S180 WeakPolarHBondContact CD-OG 3.5Å; R177-S180 WeakPolarHBondContact CG-OG 3.28Å; R177-S180 PolarHBondContact NE-OG 3.44Å; R177-S180 PolarHBondContact NH1-OG 2.86Å; R177-E182 HydrophobicContact CB-CB 4.42Å; R177-E182 IonicContact CZ-OE2 3.88Å; R177-E182 PolarHBondContact N-O 3.23Å; R177-E182 IonicContact NH1-OE2 3.92Å; R177-E182 PolarHBondContact NH1-OE2 3.47Å; R177-L184 HydrophobicContact CB-CD1 4.35Å; R177-S230 PolarHBondContact NE-O 2.84Å; R177-S230 VanDerWaalsContact NE-O 3.09Å; R177-D231 IonicContact CZ-OD1 3.67Å; R177-D231 IonicContact NH2-OD1 3.67Å; R177-D231 PolarHBondContact NH2-OD1 3.48Å
178	E	74.8	Confident	92.5	Very high	165 Å²	165	46.2 Å²	46.2	77%	0.771	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-31	-172.8	-75.2	-95.1	160.7	0	0	114.6
179	R	73.3	Confident	92.5	Very high	198 Å²	198	41.3 Å²	41.3	75%	0.747	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-20.3	-172.4	-70.3	-172.1	175.7	-179.2	1.2	114.8	R177	R177-R179 VanDerWaalsContact C-N 3.34Å; R177-R179 PolarHBondContact O-N 3.37Å
180	S	73.9	Confident	92.5	Very high	23 Å²	23	38.6 Å²	38.6	16%	0.161	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	150.3	173.2	48.6	0	0	0	0	107.8	R177 E182	R177-S180 WeakPolarHBondContact CD-OG 3.5Å; R177-S180 WeakPolarHBondContact CG-OG 3.28Å; R177-S180 PolarHBondContact NE-OG 3.44Å; R177-S180 PolarHBondContact NH1-OG 2.86Å; S180-E182 WeakPolarHBondContact CB-OE2 3.49Å; S180-E182 PolarHBondContact O-N 3.09Å; S180-E182 PolarHBondContact OG-OE2 2.89Å
181	P	79.2	Confident	92.6	Very high	56 Å²	56	34.1 Å²	34.1	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	53.2	174.6	33.4	-35.4	0	0	0	110.5	L197 R198	P181-L197 WeakPolarHBondContact O-CB 3.48Å; P181-L197 WeakPolarHBondContact O-CG 3.28Å; P181-L197 PolarHBondContact O-N 2.86Å; P181-R198 HydrophobicContact CB-CG 4.23Å; P181-R198 HydrophobicContact CG-CG 3.88Å
182	E	90.4	Very high	92.6	Very high	37 Å²	37	34.1 Å²	34.1	17%	0.173	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.5	-172.2	-71.4	171.8	165.2	0	0	111.4	R177 S180 W195	R177-E182 HydrophobicContact CB-CB 4.42Å; R177-E182 IonicContact CZ-OE2 3.88Å; R177-E182 PolarHBondContact N-O 3.23Å; R177-E182 IonicContact NH1-OE2 3.92Å; R177-E182 PolarHBondContact NH1-OE2 3.47Å; S180-E182 WeakPolarHBondContact CB-OE2 3.49Å; S180-E182 PolarHBondContact O-N 3.09Å; S180-E182 PolarHBondContact OG-OE2 2.89Å; E182-W195 WeakPolarHBondContact CA-O 3.45Å
183	V	95.2	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.8	175.3	171.5	0	0	0	0	108.4	L133 I142 L150 L174 L176 L194 W195 L197	L133-V183 HydrophobicContact CD2-CB 4.48Å; L133-V183 HydrophobicContact CD2-CG1 3.74Å; L133-V183 HydrophobicContact CD2-CG2 3.97Å; I142-V183 HydrophobicContact CD1-CB 4.32Å; I142-V183 HydrophobicContact CD1-CG1 4.19Å; I142-V183 HydrophobicContact CD1-CG2 3.6Å; L150-V183 HydrophobicContact CD2-CG1 4.34Å; L174-V183 HydrophobicContact CD2-CG1 4.31Å; L176-V183 HydrophobicContact CD1-CG2 3.87Å; V183-L194 WeakPolarHBondContact O-CA 3.47Å; V183-W195 PolarHBondContact N-O 2.89Å; V183-W195 VanDerWaalsContact O-CD1 3.32Å; V183-W195 PolarHBondContact O-N 3.45Å; V183-L197 HydrophobicContact CB-CD2 4.42Å; V183-L197 HydrophobicContact CG2-CD1 3.78Å; V183-L197 HydrophobicContact CG2-CD2 3.9Å; V183-L197 HydrophobicContact CG2-CG 3.98Å
184	L	97.6	Very high	92.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140	172.9	-78.7	69.6	0	0	0	109.2	L174 A175 R177 V192 R193 L194 L226 T228 M233 L246	L174-L184 CarbonylContact C-O 3.52Å; L174-L184 VanDerWaalsContact CA-O 3.28Å; L174-L184 WeakPolarHBondContact CA-O 3.18Å; A175-L184 HydrophobicContact CB-CB 4.32Å; A175-L184 PolarHBondContact N-O 3.24Å; A175-L184 PolarHBondContact O-N 3.44Å; R177-L184 HydrophobicContact CB-CD1 4.35Å; L184-V192 HydrophobicContact CB-CG1 4.43Å; L184-V192 HydrophobicContact CD2-CG1 4.29Å; L184-V192 HydrophobicContact CG-CG1 4.49Å; L184-R193 CarbonylContact C-O 3.58Å; L184-R193 VanDerWaalsContact CA-O 3.31Å; L184-R193 WeakPolarHBondContact CA-O 3.35Å; L184-L194 HydrophobicContact CD1-CD2 4.44Å; L184-L194 HydrophobicContact CD1-CG 3.95Å; L184-L194 HydrophobicContact CD2-CD1 4.43Å; L184-L194 HydrophobicContact CG-CD1 4.04Å; L184-L194 HydrophobicContact CG-CG 3.87Å; L184-L226 HydrophobicContact CB-CD1 4.34Å; L184-T228 HydrophobicContact CD1-CG2 4.29Å; L184-T228 HydrophobicContact CD2-CG2 3.65Å; L184-T228 HydrophobicContact CG-CG2 4.49Å; L184-M233 HydrophobicContact CD2-CB 4.43Å; L184-M233 HydrophobicContact CD2-CG 4.03Å; L184-M233 HydrophobicContact CD2-SD 3.51Å; L184-M233 VanDerWaalsContact CD2-SD 3.51Å; L184-L246 HydrophobicContact CD2-CD2 4Å
185	S	98.5	Very high	92.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140	171.6	60.2	0	0	0	0	111.6	H167 C173 V192 R193 W195	H167-S185 PolarHBondContact CD2-OG 2.88Å; H167-S185 WeakPolarHBondContact NE2-CB 3.5Å; H167-S185 PolarHBondContact NE2-OG 3.45Å; C173-S185 WeakPolarHBondContact O-CA 3.41Å; S185-V192 CarbonylContact O-C 3.58Å; S185-V192 VanDerWaalsContact O-CA 3.28Å; S185-V192 WeakPolarHBondContact O-CA 3.48Å; S185-R193 PolarHBondContact N-O 3.01Å; S185-R193 PolarHBondContact O-N 3.43Å; S185-W195 PolarHBondContact OG-NE1 2.84Å
186	G	98.4	Very high	92.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.4	177.2	0	0	0	0	0	110.6	H172 C173 L226	H172-G186 PolarHBondContact N-O 3.16Å; C173-G186 PolarHBondContact N-O 2.8Å; C173-G186 PolarHBondContact O-N 3.04Å; G186-L226 VanDerWaalsContact N-CD1 3.32Å
187	G	97.9	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-177.9	-172.7	0	0	0	0	0	115.3	Y170 D189 G190 I223	Y170-G187 CarbonylContact O-C 3.53Å; Y170-G187 WeakPolarHBondContact O-CA 3.48Å; G187-D189 PolarHBondContact O-N 2.94Å; G187-G190 PolarHBondContact O-N 3.49Å; G187-I223 PolarHBondContact O-N 3.06Å
188	E	98.3	Very high	92.1	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.1	179.1	-168.3	64.5	-147.4	0	0	112.1	D169 Y170 H172 G190 W222	D169-E188 HydrophobicContact CB-CB 3.88Å; D169-E188 HydrophobicContact CB-CG 4.43Å; Y170-E188 PolarHBondContact O-N 3.48Å; H172-E188 IonicContact CD2-OE2 3.61Å; H172-E188 IonicContact CE1-OE2 2.89Å; H172-E188 IonicContact NE2-OE2 3.74Å; H172-E188 PolarHBondContact NE2-OE2 2.7Å; E188-G190 PolarHBondContact O-N 3.44Å; E188-W222 VanDerWaalsContact CD-CB 3.49Å; E188-W222 WeakPolarHBondContact OE1-CB 3.31Å; E188-W222 WeakPolarHBondContact OE2-CB 3.44Å
189	D	98.1	Very high	92.9	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.1	174.5	65.9	-1.7	0	0	0	113.8	H167 T168 D169 G187 A191 R193	H167-D189 WeakPolarHBondContact CA-OD2 3.22Å; H167-D189 IonicContact CE1-OD1 3.06Å; H167-D189 IonicContact CE1-OD2 2.84Å; H167-D189 IonicContact CG-OD2 3.98Å; H167-D189 VanDerWaalsContact ND1-CG 3.29Å; H167-D189 IonicContact ND1-OD1 3.89Å; H167-D189 PolarHBondContact ND1-OD1 3.31Å; H167-D189 IonicContact ND1-OD2 3.57Å; H167-D189 PolarHBondContact ND1-OD2 3.35Å; T168-D189 PolarHBondContact N-OD2 3.31Å; T168-D189 VanDerWaalsContact N-OD2 3.16Å; T168-D189 WeakPolarHBondContact OG1-CB 3.47Å; D169-D189 HydrophobicContact CB-CB 4.05Å; G187-D189 PolarHBondContact O-N 2.94Å; D189-A191 PolarHBondContact OD1-N 2.9Å; D189-A191 VanDerWaalsContact OD1-N 3.15Å; D189-R193 IonicContact OD2-NE 2.67Å; D189-R193 IonicContact OD2-NH2 2.97Å
190	G	97.4	Very high	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	81.6	13.3	176.9	0	0	0	0	0	115.2	G187 E188 V208 Y209 R221	G187-G190 PolarHBondContact O-N 3.49Å; E188-G190 PolarHBondContact O-N 3.44Å; G190-V208 PolarHBondContact O-N 3.09Å; G190-Y209 WeakPolarHBondContact O-CD1 3.11Å; G190-R221 WeakPolarHBondContact CA-O 3.02Å
191	A	97.8	Very high	94.8	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.033	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.2	173.9	0	0	0	0	0	111.1	H167 D189 R193 T205 I206 E207	H167-A191 PolarHBondContact CE1-O 3.47Å; D189-A191 PolarHBondContact OD1-N 2.9Å; D189-A191 VanDerWaalsContact OD1-N 3.15Å; A191-R193 HydrophobicContact CB-CG 4.47Å; A191-T205 HydrophobicContact CB-CG2 4.19Å; A191-I206 WeakPolarHBondContact CA-O 3.27Å; A191-E207 HydrophobicContact CB-CG 4.37Å
192	V	98.3	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.4	158.1	-175.9	0	0	0	0	107.9	L184 S185 L194 T205 I206 V208 I223 L226 M233 C235	L184-V192 HydrophobicContact CB-CG1 4.43Å; L184-V192 HydrophobicContact CD2-CG1 4.29Å; L184-V192 HydrophobicContact CG-CG1 4.49Å; S185-V192 CarbonylContact O-C 3.58Å; S185-V192 VanDerWaalsContact O-CA 3.28Å; S185-V192 WeakPolarHBondContact O-CA 3.48Å; V192-L194 HydrophobicContact CG1-CD1 4.46Å; V192-T205 WeakPolarHBondContact O-CA 3.44Å; V192-I206 HydrophobicContact CB-CB 4.4Å; V192-I206 PolarHBondContact N-O 2.96Å; V192-I206 PolarHBondContact O-N 3.29Å; V192-V208 HydrophobicContact CG2-CG2 4.19Å; V192-I223 HydrophobicContact CG2-CG1 4.31Å; V192-I223 HydrophobicContact CG2-CG2 4.27Å; V192-L226 HydrophobicContact CG1-CD1 3.99Å; V192-L226 HydrophobicContact CG1-CD2 4.08Å; V192-L226 HydrophobicContact CG2-CD2 3.8Å; V192-M233 HydrophobicContact CB-SD 4.41Å; V192-M233 HydrophobicContact CG1-SD 3.73Å; V192-M233 HydrophobicContact CG2-CE 4.43Å; V192-M233 HydrophobicContact CG2-SD 4.4Å; V192-C235 HydrophobicContact CG2-CB 4.38Å
193	R	98.3	Very high	95.8	Very high	34 Å²	34	35.8 Å²	35.8	13%	0.128	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139	178.8	-61	-175.2	-178	-89.4	-8	110.2	G166 L184 S185 D189 A191 W195 E202 T205	G166-R193 VanDerWaalsContact C-CZ 3.47Å; G166-R193 VanDerWaalsContact C-NE 3.33Å; G166-R193 PolarHBondContact O-NE 3.12Å; G166-R193 PolarHBondContact O-NH2 3.34Å; L184-R193 CarbonylContact C-O 3.58Å; L184-R193 VanDerWaalsContact CA-O 3.31Å; L184-R193 WeakPolarHBondContact CA-O 3.35Å; S185-R193 PolarHBondContact N-O 3.01Å; S185-R193 PolarHBondContact O-N 3.43Å; D189-R193 IonicContact OD2-NE 2.67Å; D189-R193 IonicContact OD2-NH2 2.97Å; A191-R193 HydrophobicContact CB-CG 4.47Å; R193-W195 HydrophobicContact CB-CZ2 3.86Å; R193-W195 HydrophobicContact CG-CZ2 4.39Å; R193-E202 IonicContact CZ-OE2 3.98Å; R193-E202 IonicContact NE-OE2 3.02Å; R193-E202 IonicContact NH1-OE1 3.64Å; R193-E202 PolarHBondContact NH1-OE1 2.97Å; R193-E202 IonicContact NH1-OE2 3.67Å; R193-E202 PolarHBondContact NH1-OE2 2.98Å; R193-T205 PolarHBondContact NH1-OG1 2.87Å
194	L	97.1	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.8	173.6	-76.3	69.1	0	0	0	109	V183 L184 V192 E202 V203 Q204 L246	V183-L194 WeakPolarHBondContact O-CA 3.47Å; L184-L194 HydrophobicContact CD1-CD2 4.44Å; L184-L194 HydrophobicContact CD1-CG 3.95Å; L184-L194 HydrophobicContact CD2-CD1 4.43Å; L184-L194 HydrophobicContact CG-CD1 4.04Å; L184-L194 HydrophobicContact CG-CG 3.87Å; V192-L194 HydrophobicContact CG1-CD1 4.46Å; L194-E202 WeakPolarHBondContact O-CA 3.47Å; L194-V203 HydrophobicContact CB-CG2 3.84Å; L194-V203 WeakPolarHBondContact O-CG2 3.31Å; L194-V203 PolarHBondContact O-N 3.15Å; L194-Q204 HydrophobicContact CB-CB 4.08Å; L194-Q204 HydrophobicContact CD1-CB 4.37Å; L194-Q204 HydrophobicContact CD2-CB 4.27Å; L194-Q204 HydrophobicContact CG-CB 4.45Å; L194-Q204 PolarHBondContact N-O 2.91Å; L194-L246 HydrophobicContact CD2-CD2 4.47Å
195	W	96.7	Very high	95.8	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	-176.7	-53.6	95.3	0	0	0	110.2	L150 L164 E182 V183 S185 R193 L197 K201 E202	L150-W195 HydrophobicContact CD1-CZ2 3.87Å; L150-W195 HydrophobicContact CD2-CG 4.43Å; L164-W195 HydrophobicContact CB-CD2 4.1Å; L164-W195 HydrophobicContact CB-CE3 3.7Å; L164-W195 HydrophobicContact CB-CH2 4.26Å; L164-W195 HydrophobicContact CB-CZ3 3.78Å; L164-W195 HydrophobicContact CD1-CB 3.84Å; L164-W195 HydrophobicContact CD1-CD2 3.96Å; L164-W195 HydrophobicContact CD1-CE3 4.07Å; L164-W195 HydrophobicContact CD1-CG 3.86Å; L164-W195 HydrophobicContact CD2-CE3 4.35Å; L164-W195 HydrophobicContact CG-CE3 4.26Å; E182-W195 WeakPolarHBondContact CA-O 3.45Å; V183-W195 PolarHBondContact N-O 2.89Å; V183-W195 VanDerWaalsContact O-CD1 3.32Å; V183-W195 PolarHBondContact O-N 3.45Å; S185-W195 PolarHBondContact OG-NE1 2.84Å; R193-W195 HydrophobicContact CB-CZ2 3.86Å; R193-W195 HydrophobicContact CG-CZ2 4.39Å; W195-L197 PolarHBondContact O-N 2.93Å; W195-K201 WeakPolarHBondContact CA-O 3.43Å; W195-E202 HydrophobicContact CE3-CB 3.92Å; W195-E202 HydrophobicContact CH2-CB 4.23Å; W195-E202 HydrophobicContact CZ3-CB 3.64Å; W195-E202 HydrophobicContact CZ3-CG 4.44Å
196	D	93.2	Very high	95.8	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.6	167.8	170.8	13.7	0	0	0	109.2	R198 T199 A200 K201 V203	D196-R198 PolarHBondContact O-N 2.93Å; D196-R198 WeakPolarHBondContact OD1-CB 3.42Å; D196-R198 PolarHBondContact OD1-N 3.04Å; D196-T199 WeakPolarHBondContact CB-OG1 3.41Å; D196-T199 VanDerWaalsContact CG-OG1 3.27Å; D196-T199 PolarHBondContact O-N 2.91Å; D196-T199 VanDerWaalsContact OD2-CG2 3.24Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å; D196-T199 PolarHBondContact OD2-OG1 3.33Å; D196-A200 WeakPolarHBondContact O-CA 3.42Å; D196-A200 PolarHBondContact O-N 2.66Å; D196-K201 PolarHBondContact N-O 3.28Å; D196-K201 PolarHBondContact O-N 2.68Å; D196-V203 HydrophobicContact CB-CG1 3.59Å
197	L	89.9	Confident	95.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25	-178.3	-65.3	-178.9	0	0	0	112.8	V135 I142 R162 P181 V183 W195	V135-L197 HydrophobicContact CG1-CD1 4.1Å; V135-L197 HydrophobicContact CG2-CD1 4.33Å; I142-L197 HydrophobicContact CD1-CD1 4.48Å; I142-L197 HydrophobicContact CD1-CD2 3.87Å; R162-L197 PolarHBondContact NE-O 2.93Å; R162-L197 PolarHBondContact NH1-O 2.85Å; P181-L197 WeakPolarHBondContact O-CB 3.48Å; P181-L197 WeakPolarHBondContact O-CG 3.28Å; P181-L197 PolarHBondContact O-N 2.86Å; V183-L197 HydrophobicContact CB-CD2 4.42Å; V183-L197 HydrophobicContact CG2-CD1 3.78Å; V183-L197 HydrophobicContact CG2-CD2 3.9Å; V183-L197 HydrophobicContact CG2-CG 3.98Å; W195-L197 PolarHBondContact O-N 2.93Å
198	R	89.4	Confident	95.7	Very high	201 Å²	201	43.7 Å²	43.7	76%	0.758	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-41	-179.7	-60.2	-178.8	65	131.6	2.8	111.9	P181 D196	P181-R198 HydrophobicContact CB-CG 4.23Å; P181-R198 HydrophobicContact CG-CG 3.88Å; D196-R198 PolarHBondContact O-N 2.93Å; D196-R198 WeakPolarHBondContact OD1-CB 3.42Å; D196-R198 PolarHBondContact OD1-N 3.04Å
199	T	91.7	Very high	95.6	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.9	-178.7	58	0	0	0	0	112.8	D196 K201	D196-T199 WeakPolarHBondContact CB-OG1 3.41Å; D196-T199 VanDerWaalsContact CG-OG1 3.27Å; D196-T199 PolarHBondContact O-N 2.91Å; D196-T199 VanDerWaalsContact OD2-CG2 3.24Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å; D196-T199 PolarHBondContact OD2-OG1 3.33Å; T199-K201 PolarHBondContact O-N 3.36Å
200	A	92.6	Very high	95.5	Very high	41 Å²	41	49.2 Å²	49.2	34%	0.339	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.3	-174.1	0	0	0	0	0	112.2	L164 D196	L164-A200 HydrophobicContact CD2-CB 3.75Å; L164-A200 WeakPolarHBondContact CD2-O 3.39Å; D196-A200 WeakPolarHBondContact O-CA 3.42Å; D196-A200 PolarHBondContact O-N 2.66Å
201	K	94.6	Very high	95.4	Very high	140 Å²	140	52.2 Å²	52.2	61%	0.609	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127	151.5	-177.9	-71.3	-177.9	-176.8	-176.4	0	111.6	W195 D196 T199	W195-K201 WeakPolarHBondContact CA-O 3.43Å; D196-K201 PolarHBondContact N-O 3.28Å; D196-K201 PolarHBondContact O-N 2.68Å; T199-K201 PolarHBondContact O-N 3.36Å
202	E	96.6	Very high	95.2	Very high	72 Å²	72	60.8 Å²	60.8	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.5	164.1	-173.6	-179.8	133.8	0	0	109.2	R193 L194 W195 T205	R193-E202 IonicContact CZ-OE2 3.98Å; R193-E202 IonicContact NE-OE2 3.02Å; R193-E202 IonicContact NH1-OE1 3.64Å; R193-E202 PolarHBondContact NH1-OE1 2.97Å; R193-E202 IonicContact NH1-OE2 3.67Å; R193-E202 PolarHBondContact NH1-OE2 2.98Å; L194-E202 WeakPolarHBondContact O-CA 3.47Å; W195-E202 HydrophobicContact CE3-CB 3.92Å; W195-E202 HydrophobicContact CH2-CB 4.23Å; W195-E202 HydrophobicContact CZ3-CB 3.64Å; W195-E202 HydrophobicContact CZ3-CG 4.44Å; E202-T205 VanDerWaalsContact CD-OG1 3.26Å; E202-T205 PolarHBondContact OE1-OG1 2.69Å
203	V	94.9	Very high	95.1	Very high	75 Å²	75	67.5 Å²	67.5	46%	0.455	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-24.1	179.4	-65.5	0	0	0	0	112.9	L194 D196	L194-V203 HydrophobicContact CB-CG2 3.84Å; L194-V203 WeakPolarHBondContact O-CG2 3.31Å; L194-V203 PolarHBondContact O-N 3.15Å; D196-V203 HydrophobicContact CB-CG1 3.59Å
204	Q	95.1	Very high	94.9	Very high	51 Å²	51	65.9 Å²	65.9	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.1	-179.5	-169.5	176.1	-0.9	0	0	110.6	L194 L246 S249	L194-Q204 HydrophobicContact CB-CB 4.08Å; L194-Q204 HydrophobicContact CD1-CB 4.37Å; L194-Q204 HydrophobicContact CD2-CB 4.27Å; L194-Q204 HydrophobicContact CG-CB 4.45Å; L194-Q204 PolarHBondContact N-O 2.91Å; Q204-L246 PolarHBondContact NE2-O 3.04Å; Q204-L246 VanDerWaalsContact NE2-O 3.15Å; Q204-S249 VanDerWaalsContact NE2-CB 3.3Å; Q204-S249 PolarHBondContact NE2-OG 2.85Å
205	T	97.3	Very high	94.8	Very high	48 Å²	48	68.3 Å²	68.3	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133	174	-81.2	0	0	0	0	110.3	A191 V192 R193 E202 E207	A191-T205 HydrophobicContact CB-CG2 4.19Å; V192-T205 WeakPolarHBondContact O-CA 3.44Å; R193-T205 PolarHBondContact NH1-OG1 2.87Å; E202-T205 VanDerWaalsContact CD-OG1 3.26Å; E202-T205 PolarHBondContact OE1-OG1 2.69Å; T205-E207 HydrophobicContact CG2-CG 4.16Å
206	I	97.9	Very high	94.7	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.8	178.5	-56.2	176	0	0	0	108.1	A191 V192 V208 M233 W244	A191-I206 WeakPolarHBondContact CA-O 3.27Å; V192-I206 HydrophobicContact CB-CB 4.4Å; V192-I206 PolarHBondContact N-O 2.96Å; V192-I206 PolarHBondContact O-N 3.29Å; I206-V208 HydrophobicContact CG2-CG2 4.33Å; I206-V208 PolarHBondContact O-N 3.09Å; I206-M233 HydrophobicContact CD1-CE 4.11Å; I206-W244 HydrophobicContact CG2-CD2 4.35Å; I206-W244 HydrophobicContact CG2-CE3 3.79Å; I206-W244 HydrophobicContact CG2-CH2 3.76Å; I206-W244 HydrophobicContact CG2-CZ2 4.31Å; I206-W244 HydrophobicContact CG2-CZ3 3.46Å; I206-W244 VanDerWaalsContact CG2-CZ3 3.46Å
207	E	97.3	Very high	94.8	Very high	64 Å²	64	73.6 Å²	73.6	30%	0.299	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	92.2	174.2	-67.8	164.6	123.1	0	0	109.4	A191 T205 Y209 K210 H211	A191-E207 HydrophobicContact CB-CG 4.37Å; T205-E207 HydrophobicContact CG2-CG 4.16Å; E207-Y209 VanDerWaalsContact C-N 3.26Å; E207-Y209 HydrophobicContact CB-CD1 4.38Å; E207-Y209 HydrophobicContact CB-CE1 3.94Å; E207-Y209 HydrophobicContact CG-CE1 4.21Å; E207-Y209 PolarHBondContact O-N 2.98Å; E207-Y209 PolarHBondContact OE1-OH 2.91Å; E207-K210 HydrophobicContact CB-CB 4.33Å; E207-K210 HydrophobicContact CB-CD 3.97Å; E207-K210 HydrophobicContact CB-CG 3.95Å; E207-K210 PolarHBondContact O-N 2.95Å; E207-K210 VanDerWaalsContact O-N 3.13Å; E207-K210 VanDerWaalsContact OE1-CE 3.23Å; E207-K210 WeakPolarHBondContact OE1-CE 3.28Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 PolarHBondContact OE1-NZ 2.9Å; E207-K210 WeakPolarHBondContact OE2-CD 3.48Å; E207-K210 WeakPolarHBondContact OE2-CE 3.45Å; E207-K210 IonicContact OE2-NZ 3.8Å; E207-K210 PolarHBondContact OE2-NZ 2.85Å; E207-H211 PolarHBondContact O-ND1 2.92Å
208	V	97.1	Very high	95	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.4	-40.6	-173.5	179.3	0	0	0	0	111.3	G190 V192 I206 K210 H211 C214 I223 P239 W244	G190-V208 PolarHBondContact O-N 3.09Å; V192-V208 HydrophobicContact CG2-CG2 4.19Å; I206-V208 HydrophobicContact CG2-CG2 4.33Å; I206-V208 PolarHBondContact O-N 3.09Å; V208-K210 PolarHBondContact O-N 2.88Å; V208-H211 PolarHBondContact O-N 2.99Å; V208-H211 VanDerWaalsContact O-N 3.15Å; V208-C214 HydrophobicContact CG1-CB 3.89Å; V208-I223 HydrophobicContact CB-CD1 4.03Å; V208-I223 HydrophobicContact CG1-CD1 4.44Å; V208-I223 HydrophobicContact CG2-CD1 3.91Å; V208-P239 HydrophobicContact CG1-CB 3.74Å; V208-P239 HydrophobicContact CG1-CG 4.29Å; V208-W244 HydrophobicContact CB-CZ2 4.41Å; V208-W244 HydrophobicContact CG1-CZ2 4.08Å; V208-W244 HydrophobicContact CG2-CZ2 4.2Å
209	Y	96	Very high	95.3	Very high	63 Å²	63	72.9 Å²	72.9	25%	0.247	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-67.5	-17.1	-177.6	71.3	-91.3	0	0	0	114.4	G190 E207 H211 R221	G190-Y209 WeakPolarHBondContact O-CD1 3.11Å; E207-Y209 VanDerWaalsContact C-N 3.26Å; E207-Y209 HydrophobicContact CB-CD1 4.38Å; E207-Y209 HydrophobicContact CB-CE1 3.94Å; E207-Y209 HydrophobicContact CG-CE1 4.21Å; E207-Y209 PolarHBondContact O-N 2.98Å; E207-Y209 PolarHBondContact OE1-OH 2.91Å; Y209-H211 VanDerWaalsContact C-N 3.29Å; Y209-R221 HydrophobicContact CD1-CB 4.08Å; Y209-R221 HydrophobicContact CG-CB 4Å
210	K	96.3	Very high	95.5	Very high	124 Å²	124	70.9 Å²	70.9	54%	0.539	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-77.5	-16.1	175.8	-70.4	-169.2	-178.1	169.4	0	112.9	E207 V208	E207-K210 HydrophobicContact CB-CB 4.33Å; E207-K210 HydrophobicContact CB-CD 3.97Å; E207-K210 HydrophobicContact CB-CG 3.95Å; E207-K210 PolarHBondContact O-N 2.95Å; E207-K210 VanDerWaalsContact O-N 3.13Å; E207-K210 VanDerWaalsContact OE1-CE 3.23Å; E207-K210 WeakPolarHBondContact OE1-CE 3.28Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 PolarHBondContact OE1-NZ 2.9Å; E207-K210 WeakPolarHBondContact OE2-CD 3.48Å; E207-K210 WeakPolarHBondContact OE2-CE 3.45Å; E207-K210 IonicContact OE2-NZ 3.8Å; E207-K210 PolarHBondContact OE2-NZ 2.85Å; V208-K210 PolarHBondContact O-N 2.88Å
211	H	95.7	Very high	95.7	Very high	64 Å²	64	74.9 Å²	74.9	30%	0.296	37%	0.371	S	S	.	.	S	Bend	trans	-86.7	116.4	177.2	-64.4	72.3	0	0	0	109.1	E207 V208 Y209 E213 C214 S215 W244	E207-H211 PolarHBondContact O-ND1 2.92Å; V208-H211 PolarHBondContact O-N 2.99Å; V208-H211 VanDerWaalsContact O-N 3.15Å; Y209-H211 VanDerWaalsContact C-N 3.29Å; H211-E213 PolarHBondContact O-N 3.03Å; H211-C214 HydrophobicContact CB-CB 4.2Å; H211-C214 PolarHBondContact O-N 2.83Å; H211-S215 PolarHBondContact O-N 3.35Å; H211-W244 HydrophobicContact CB-CH2 4.47Å; H211-W244 AromaticContact CD2-CH2 3.8Å; H211-W244 AromaticContact CE1-CH2 3.59Å; H211-W244 AromaticContact CE1-CZ3 3.94Å; H211-W244 AromaticContact CG-CH2 3.72Å; H211-W244 AromaticContact ND1-CH2 3.59Å; H211-W244 AromaticContact NE2-CH2 3.72Å; H211-W244 AromaticContact NE2-CZ3 3.85Å
212	E	94.4	Very high	95.9	Very high	183 Å²	183	69.6 Å²	69.6	86%	0.855	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.1	-175.2	-65.5	-172	166.9	0	0	112.3	C214 S215	E212-C214 PolarHBondContact O-N 3.04Å; E212-S215 PolarHBondContact O-N 2.84Å
213	E	94.5	Very high	96	Very high	141 Å²	141	66.2 Å²	66.2	66%	0.659	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.7	177.1	-60.1	177	-173.6	0	0	113.5	H211	H211-E213 PolarHBondContact O-N 3.03Å
214	C	95.3	Very high	96.1	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.007	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-19.3	-177.5	-55.4	0	0	0	0	112.4	V208 H211 E212 A240 T242	V208-C214 HydrophobicContact CG1-CB 3.89Å; H211-C214 HydrophobicContact CB-CB 4.2Å; H211-C214 PolarHBondContact O-N 2.83Å; E212-C214 PolarHBondContact O-N 3.04Å; C214-A240 PolarHBondContact O-N 3.16Å; C214-T242 HydrophobicContact CB-CG2 4.25Å
215	S	94.1	Very high	96.2	Very high	50 Å²	50	61.1 Å²	61.1	35%	0.35	31%	0.306	S	S	.	.			trans	-72.8	130.1	-165.9	-167.4	0	0	0	0	112.1	H211 E212	H211-S215 PolarHBondContact O-N 3.35Å; E212-S215 PolarHBondContact O-N 2.84Å
216	R	95.7	Very high	96.2	Very high	33 Å²	33	59.5 Å²	59.5	13%	0.125	30%	0.296	C	S	.	.			trans	-134.5	74.9	175.5	-63.5	-168.2	-63.2	-165.9	-0.8	109.3	H218 N219 G237 G238 P239 A240 I257	R216-H218 PolarHBondContact O-N 3.37Å; R216-N219 PolarHBondContact O-N 2.78Å; R216-G237 PolarHBondContact NH2-O 3.02Å; R216-G238 PolarHBondContact NE-O 3.04Å; R216-G238 PolarHBondContact NH2-O 3Å; R216-P239 VanDerWaalsContact NH2-C 3.33Å; R216-P239 PolarHBondContact NH2-O 3.39Å; R216-A240 VanDerWaalsContact CZ-CA 3.42Å; R216-I257 PolarHBondContact NH1-O 3.2Å
217	P	93.9	Very high	96.2	Very high	111 Å²	111	59.9 Å²	59.9	72%	0.721	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.9	-167.9	21.6	-33.1	0	0	0	113.2	N219 G220	P217-N219 PolarHBondContact O-N 2.53Å; P217-G220 PolarHBondContact O-N 2.67Å
218	H	95.8	Very high	96.1	Very high	142 Å²	142	58.4 Å²	58.4	66%	0.657	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.3	-20.6	177.8	64.4	75.5	0	0	0	114.5	R216	R216-H218 PolarHBondContact O-N 3.37Å
219	N	95.1	Very high	95.8	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.251	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-100.9	-2.9	178.9	-74.6	-15.4	0	0	0	113.3	R216 P217 W222 G238	R216-N219 PolarHBondContact O-N 2.78Å; P217-N219 PolarHBondContact O-N 2.53Å; N219-W222 PolarHBondContact O-NE1 3.49Å; N219-G238 WeakPolarHBondContact CB-O 3.42Å
220	G	95.9	Very high	95.4	Very high	35 Å²	35	60.8 Å²	60.8	36%	0.361	32%	0.315	S	S	.	.			trans	79	-176.1	-170.7	0	0	0	0	0	113.6	P217 G238	P217-G220 PolarHBondContact O-N 2.67Å; G220-G238 CarbonylContact O-C 3.58Å
221	R	96.9	Very high	95.2	Very high	125 Å²	125	57.3 Å²	57.3	47%	0.472	30%	0.303	S	S	.	.	S	Bend	trans	-107.6	-1.4	-170.2	64.1	179	171.2	-172.2	-2.3	115.6	G190 Y209	G190-R221 WeakPolarHBondContact CA-O 3.02Å; Y209-R221 HydrophobicContact CD1-CB 4.08Å; Y209-R221 HydrophobicContact CG-CB 4Å
222	W	97.9	Very high	95.1	Very high	29 Å²	29	58.5 Å²	58.5	11%	0.11	31%	0.305	C	S	.	.			trans	-63.1	140.7	-174.7	58.1	-86.9	0	0	0	114	E188 N219 G237 G238 P239 P260 K262	E188-W222 VanDerWaalsContact CD-CB 3.49Å; E188-W222 WeakPolarHBondContact OE1-CB 3.31Å; E188-W222 WeakPolarHBondContact OE2-CB 3.44Å; N219-W222 PolarHBondContact O-NE1 3.49Å; W222-G237 WeakPolarHBondContact O-CA 3.18Å; W222-G238 PolarHBondContact O-N 3.02Å; W222-P239 VanDerWaalsContact O-CD 3.29Å; W222-P239 WeakPolarHBondContact O-CD 3.32Å; W222-P260 HydrophobicContact CH2-CB 3.79Å; W222-P260 HydrophobicContact CZ2-CB 3.81Å; W222-P260 HydrophobicContact CZ2-CG 4.43Å; W222-K262 HydrophobicContact CH2-CD 3.85Å; W222-K262 VanDerWaalsContact CH2-CE 3.45Å; W222-K262 HydrophobicContact CZ3-CD 3.87Å
223	I	98.4	Very high	95.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.7	171.9	-54.7	-56.7	0	0	0	108.6	H172 G187 V192 V208 L226 C235 P239	H172-I223 WeakPolarHBondContact CB-O 3.41Å; H172-I223 PolarHBondContact CD2-O 3.15Å; H172-I223 VanDerWaalsContact CD2-O 3.31Å; G187-I223 PolarHBondContact O-N 3.06Å; V192-I223 HydrophobicContact CG2-CG1 4.31Å; V192-I223 HydrophobicContact CG2-CG2 4.27Å; V208-I223 HydrophobicContact CB-CD1 4.03Å; V208-I223 HydrophobicContact CG1-CD1 4.44Å; V208-I223 HydrophobicContact CG2-CD1 3.91Å; I223-L226 HydrophobicContact CG2-CD2 4.24Å; I223-L226 HydrophobicContact CG2-CG 4.23Å; I223-C235 HydrophobicContact CG2-CB 4.48Å; I223-P239 HydrophobicContact CD1-CG 4.24Å
224	G	97.3	Very high	95.4	Very high	12 Å²	12	43.1 Å²	43.1	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-21.2	-176.2	0	0	0	0	0	114.9	G236	G224-G236 PolarHBondContact N-O 3.03Å
225	C	97.8	Very high	95.5	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.8	178.9	60.9	0	0	0	0	113	C235 G236 V264	C225-C235 WeakPolarHBondContact O-CA 3.29Å; C225-G236 PolarHBondContact N-O 3.31Å; C225-G236 PolarHBondContact O-N 2.9Å; C225-V264 HydrophobicContact CB-CB 4.4Å; C225-V264 HydrophobicContact CB-CG1 3.91Å
226	L	97.8	Very high	95.6	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.9	177.4	-71.6	171.6	0	0	0	109.7	A175 L184 G186 V192 I223 M233 V234 C235	A175-L226 HydrophobicContact CB-CB 4.13Å; L184-L226 HydrophobicContact CB-CD1 4.34Å; G186-L226 VanDerWaalsContact N-CD1 3.32Å; V192-L226 HydrophobicContact CG1-CD1 3.99Å; V192-L226 HydrophobicContact CG1-CD2 4.08Å; V192-L226 HydrophobicContact CG2-CD2 3.8Å; I223-L226 HydrophobicContact CG2-CD2 4.24Å; I223-L226 HydrophobicContact CG2-CG 4.23Å; L226-M233 HydrophobicContact CD2-CG 4.14Å; L226-M233 HydrophobicContact CD2-SD 3.82Å; L226-V234 WeakPolarHBondContact CA-O 3.12Å; L226-C235 HydrophobicContact CD2-CB 3.44Å; L226-C235 VanDerWaalsContact CD2-CB 3.44Å
227	A	96.7	Very high	95.6	Very high	12 Å²	12	39.2 Å²	39.2	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149	165.6	0	0	0	0	0	109.4	M233 V234 V264 F266	A227-M233 CarbonylContact O-C 3.6Å; A227-M233 VanDerWaalsContact O-CA 3.32Å; A227-M233 WeakPolarHBondContact O-CA 3.47Å; A227-V234 PolarHBondContact N-O 3.03Å; A227-V234 PolarHBondContact O-N 2.82Å; A227-V264 HydrophobicContact CB-CG1 3.95Å; A227-F266 HydrophobicContact CB-CD2 3.92Å; A227-F266 HydrophobicContact CB-CE2 4.17Å
228	T	95.1	Very high	95.8	Very high	32 Å²	32	33.9 Å²	33.9	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.3	179.5	49.8	0	0	0	0	110.8	A175 L176 L184 W232	A175-T228 HydrophobicContact CB-CG2 4.09Å; L176-T228 PolarHBondContact O-OG1 2.98Å; L184-T228 HydrophobicContact CD1-CG2 4.29Å; L184-T228 HydrophobicContact CD2-CG2 3.65Å; L184-T228 HydrophobicContact CG-CG2 4.49Å; T228-W232 WeakPolarHBondContact CA-O 3.44Å
229	D	92.4	Very high	95.8	Very high	73 Å²	73	27.2 Å²	27.2	39%	0.39	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	110.1	164.9	178.9	14.6	0	0	0	108.8	D231 W232 F266	D229-D231 PolarHBondContact O-N 2.85Å; D229-W232 PolarHBondContact N-O 3.2Å; D229-W232 WeakPolarHBondContact O-CB 3.42Å; D229-W232 PolarHBondContact O-N 2.9Å; D229-F266 HydrophobicContact CB-CB 4.4Å; D229-F266 HydrophobicContact CB-CD1 4.07Å; D229-F266 HydrophobicContact CB-CD2 3.67Å; D229-F266 HydrophobicContact CB-CE1 4.21Å; D229-F266 HydrophobicContact CB-CE2 3.82Å; D229-F266 HydrophobicContact CB-CG 3.79Å; D229-F266 HydrophobicContact CB-CZ 4.06Å
230	S	87.1	Confident	95.9	Very high	41 Å²	41	25.3 Å²	25.3	29%	0.287	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-100.9	179.4	-55.7	0	0	0	0	113.4	R177	R177-S230 PolarHBondContact NE-O 2.84Å; R177-S230 VanDerWaalsContact NE-O 3.09Å
231	D	90.9	Very high	96	Very high	51 Å²	51	23.7 Å²	23.7	27%	0.273	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3.1	178.9	-70.2	-41.5	0	0	0	112.8	R177 D229 L246	R177-D231 IonicContact CZ-OD1 3.67Å; R177-D231 IonicContact NH2-OD1 3.67Å; R177-D231 PolarHBondContact NH2-OD1 3.48Å; D229-D231 PolarHBondContact O-N 2.85Å; D231-L246 WeakPolarHBondContact O-CB 3.28Å; D231-L246 WeakPolarHBondContact O-CG 3.47Å; D231-L246 PolarHBondContact O-N 2.93Å
232	W	94.6	Very high	96.1	Very high	89 Å²	89	17.7 Å²	17.7	34%	0.337	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.7	-178.5	-63.2	98.7	0	0	0	111.5	T228 D229 L243 W244 H245 T252 F266	T228-W232 WeakPolarHBondContact CA-O 3.44Å; D229-W232 PolarHBondContact N-O 3.2Å; D229-W232 WeakPolarHBondContact O-CB 3.42Å; D229-W232 PolarHBondContact O-N 2.9Å; W232-L243 HydrophobicContact CB-CD1 4.2Å; W232-L243 HydrophobicContact CD2-CD1 4.45Å; W232-L243 HydrophobicContact CE3-CD1 3.84Å; W232-L243 HydrophobicContact CE3-CD2 3.89Å; W232-L243 HydrophobicContact CE3-CG 3.67Å; W232-L243 HydrophobicContact CZ3-CD2 3.93Å; W232-L243 HydrophobicContact CZ3-CG 3.98Å; W232-W244 WeakPolarHBondContact CA-O 3.19Å; W232-H245 HydrophobicContact CE3-CB 4.35Å; W232-H245 HydrophobicContact CH2-CB 4.46Å; W232-H245 HydrophobicContact CZ3-CB 4.04Å; W232-T252 HydrophobicContact CH2-CG2 4.11Å; W232-T252 HydrophobicContact CZ3-CG2 3.65Å; W232-T252 WeakPolarHBondContact CZ3-OG1 3.39Å; W232-F266 HydrophobicContact CB-CZ 4.13Å
233	M	96.6	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136	171.1	172	-170.8	74.9	0	0	109.4	L184 V192 I206 L226 A227 C235 L243 W244 L246	L184-M233 HydrophobicContact CD2-CB 4.43Å; L184-M233 HydrophobicContact CD2-CG 4.03Å; L184-M233 HydrophobicContact CD2-SD 3.51Å; L184-M233 VanDerWaalsContact CD2-SD 3.51Å; V192-M233 HydrophobicContact CB-SD 4.41Å; V192-M233 HydrophobicContact CG1-SD 3.73Å; V192-M233 HydrophobicContact CG2-CE 4.43Å; V192-M233 HydrophobicContact CG2-SD 4.4Å; I206-M233 HydrophobicContact CD1-CE 4.11Å; L226-M233 HydrophobicContact CD2-CG 4.14Å; L226-M233 HydrophobicContact CD2-SD 3.82Å; A227-M233 CarbonylContact O-C 3.6Å; A227-M233 VanDerWaalsContact O-CA 3.32Å; A227-M233 WeakPolarHBondContact O-CA 3.47Å; M233-C235 HydrophobicContact CE-CB 4.34Å; M233-L243 CarbonylContact O-C 3.56Å; M233-L243 WeakPolarHBondContact O-CA 3.49Å; M233-W244 HydrophobicContact CB-CB 4.38Å; M233-W244 HydrophobicContact CE-CB 3.63Å; M233-W244 HydrophobicContact CE-CD2 4.17Å; M233-W244 HydrophobicContact CE-CG 3.56Å; M233-W244 PolarHBondContact N-O 3.06Å; M233-W244 PolarHBondContact O-N 3.44Å; M233-L246 HydrophobicContact CB-CD1 4.4Å; M233-L246 HydrophobicContact CB-CD2 3.59Å; M233-L246 HydrophobicContact CB-CG 3.96Å; M233-L246 HydrophobicContact CG-CD2 4.38Å; M233-L246 HydrophobicContact SD-CD2 4.03Å
234	V	98.1	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.6	163.3	-176.5	0	0	0	0	108.1	L226 A227 L241 T242 L243 F255 V264 F266 I271	L226-V234 WeakPolarHBondContact CA-O 3.12Å; A227-V234 PolarHBondContact N-O 3.03Å; A227-V234 PolarHBondContact O-N 2.82Å; V234-L241 HydrophobicContact CG1-CD1 3.73Å; V234-L241 HydrophobicContact CG1-CG 4.26Å; V234-T242 WeakPolarHBondContact CA-O 3.33Å; V234-L243 HydrophobicContact CG2-CD1 3.57Å; V234-F255 HydrophobicContact CG1-CE2 4.43Å; V234-V264 HydrophobicContact CB-CG1 4.46Å; V234-V264 HydrophobicContact CB-CG2 4.14Å; V234-V264 HydrophobicContact CG1-CG1 4.34Å; V234-V264 HydrophobicContact CG1-CG2 3.65Å; V234-F266 HydrophobicContact CG2-CE1 4.06Å; V234-F266 HydrophobicContact CG2-CE2 3.97Å; V234-F266 HydrophobicContact CG2-CZ 3.5Å; V234-F266 VanDerWaalsContact CG2-CZ 3.5Å; V234-I271 HydrophobicContact CG1-CG2 4.35Å; V234-I271 HydrophobicContact CG2-CD1 3.56Å; V234-I271 HydrophobicContact CG2-CG1 4.06Å; V234-I271 HydrophobicContact CG2-CG2 4.35Å
235	C	97.1	Very high	95.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.9	173.1	70.4	0	0	0	0	111.1	V192 I223 C225 L226 M233 L241 T242 W244	V192-C235 HydrophobicContact CG2-CB 4.38Å; I223-C235 HydrophobicContact CG2-CB 4.48Å; C225-C235 WeakPolarHBondContact O-CA 3.29Å; L226-C235 HydrophobicContact CD2-CB 3.44Å; L226-C235 VanDerWaalsContact CD2-CB 3.44Å; M233-C235 HydrophobicContact CE-CB 4.34Å; C235-L241 WeakPolarHBondContact O-CA 3.4Å; C235-T242 PolarHBondContact N-O 2.8Å; C235-T242 PolarHBondContact O-N 3.39Å; C235-T242 PolarHBondContact SG-OG1 3.15Å; C235-W244 PolarHBondContact SG-NE1 2.86Å
236	G	96.9	Very high	95.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.9	177.9	0	0	0	0	0	112.6	G224 C225	G224-G236 PolarHBondContact N-O 3.03Å; C225-G236 PolarHBondContact N-O 3.31Å; C225-G236 PolarHBondContact O-N 2.9Å
237	G	96.4	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-132.5	-179.7	0	0	0	0	0	111	R216 W222 P239	R216-G237 PolarHBondContact NH2-O 3.02Å; W222-G237 WeakPolarHBondContact O-CA 3.18Å; G237-P239 CarbonylContact C-O 3.57Å
238	G	96.3	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-59.8	-57	170.3	0	0	0	0	0	112.2	R216 N219 G220 W222	R216-G238 PolarHBondContact NE-O 3.04Å; R216-G238 PolarHBondContact NH2-O 3Å; N219-G238 WeakPolarHBondContact CB-O 3.42Å; G220-G238 CarbonylContact O-C 3.58Å; W222-G238 PolarHBondContact O-N 3.02Å
239	P	96.9	Very high	95	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.013	15%	0.146	C	C	.	.	S	Bend	trans	-60.5	166	168.6	-21.1	33.9	0	0	0	112.4	V208 R216 W222 I223 G237	V208-P239 HydrophobicContact CG1-CB 3.74Å; V208-P239 HydrophobicContact CG1-CG 4.29Å; R216-P239 VanDerWaalsContact NH2-C 3.33Å; R216-P239 PolarHBondContact NH2-O 3.39Å; W222-P239 VanDerWaalsContact O-CD 3.29Å; W222-P239 WeakPolarHBondContact O-CD 3.32Å; I223-P239 HydrophobicContact CD1-CG 4.24Å; G237-P239 CarbonylContact C-O 3.57Å
240	A	96.9	Very high	95.1	Very high	7 Å²	7	28.8 Å²	28.8	6%	0.058	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-56.7	148.7	-177.5	0	0	0	0	0	113.1	C214 R216 T242 V254	C214-A240 PolarHBondContact O-N 3.16Å; R216-A240 VanDerWaalsContact CZ-CA 3.42Å; A240-T242 HydrophobicContact CB-CG2 3.95Å; A240-T242 PolarHBondContact O-N 2.85Å; A240-T242 PolarHBondContact O-OG1 3.25Å; A240-V254 HydrophobicContact CB-CG1 3.67Å
241	L	98.3	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-67.1	119	167	-176.9	71.8	0	0	0	106.8	V234 C235 F255 I257 Q261 V264	V234-L241 HydrophobicContact CG1-CD1 3.73Å; V234-L241 HydrophobicContact CG1-CG 4.26Å; C235-L241 WeakPolarHBondContact O-CA 3.4Å; L241-F255 HydrophobicContact CB-CB 4.16Å; L241-F255 HydrophobicContact CB-CD2 4.32Å; L241-F255 HydrophobicContact CD2-CB 3.86Å; L241-F255 HydrophobicContact CD2-CD2 3.89Å; L241-F255 HydrophobicContact CD2-CG 3.99Å; L241-F255 HydrophobicContact CG-CB 4.18Å; L241-F255 HydrophobicContact CG-CD2 3.72Å; L241-F255 HydrophobicContact CG-CG 4.25Å; L241-F255 WeakPolarHBondContact O-CD2 3.37Å; L241-F255 PolarHBondContact O-N 2.89Å; L241-I257 HydrophobicContact CB-CG2 4.16Å; L241-I257 HydrophobicContact CD2-CG2 4.5Å; L241-Q261 HydrophobicContact CB-CG 4.31Å; L241-Q261 HydrophobicContact CD1-CB 4.39Å; L241-Q261 HydrophobicContact CD1-CG 4.2Å; L241-Q261 HydrophobicContact CD2-CG 4.2Å; L241-Q261 HydrophobicContact CG-CG 4.47Å; L241-V264 HydrophobicContact CD1-CG2 4.33Å
242	T	97.9	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.2	-168.7	44.8	0	0	0	0	111.9	C214 V234 C235 A240 W244 T253 V254	C214-T242 HydrophobicContact CB-CG2 4.25Å; V234-T242 WeakPolarHBondContact CA-O 3.33Å; C235-T242 PolarHBondContact N-O 2.8Å; C235-T242 PolarHBondContact O-N 3.39Å; C235-T242 PolarHBondContact SG-OG1 3.15Å; A240-T242 HydrophobicContact CB-CG2 3.95Å; A240-T242 PolarHBondContact O-N 2.85Å; A240-T242 PolarHBondContact O-OG1 3.25Å; T242-W244 PolarHBondContact OG1-NE1 2.9Å; T242-T253 CarbonylContact C-O 3.52Å; T242-T253 WeakPolarHBondContact CA-O 3.17Å; T242-V254 HydrophobicContact CG2-CB 4.31Å; T242-V254 HydrophobicContact CG2-CG1 4.18Å; T242-V254 HydrophobicContact CG2-CG2 3.87Å
243	L	97.9	Very high	95.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.5	170.8	-176.9	66.7	0	0	0	108.8	W232 M233 V234 T252 T253 F255 F266 I271	W232-L243 HydrophobicContact CB-CD1 4.2Å; W232-L243 HydrophobicContact CD2-CD1 4.45Å; W232-L243 HydrophobicContact CE3-CD1 3.84Å; W232-L243 HydrophobicContact CE3-CD2 3.89Å; W232-L243 HydrophobicContact CE3-CG 3.67Å; W232-L243 HydrophobicContact CZ3-CD2 3.93Å; W232-L243 HydrophobicContact CZ3-CG 3.98Å; M233-L243 CarbonylContact O-C 3.56Å; M233-L243 WeakPolarHBondContact O-CA 3.49Å; V234-L243 HydrophobicContact CG2-CD1 3.57Å; L243-T252 PolarHBondContact O-N 3.04Å; L243-T252 PolarHBondContact O-OG1 3.36Å; L243-T253 PolarHBondContact N-O 2.61Å; L243-T253 PolarHBondContact O-N 3.4Å; L243-F255 HydrophobicContact CB-CE2 3.9Å; L243-F255 HydrophobicContact CB-CZ 4.14Å; L243-F266 HydrophobicContact CD1-CE1 4.5Å; L243-F266 HydrophobicContact CD1-CZ 4.15Å; L243-I271 HydrophobicContact CD1-CD1 4.44Å
244	W	97.6	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.5	-176.2	-69	74.8	0	0	0	110.3	I206 V208 H211 W232 M233 C235 T242 S249 T250 P251	I206-W244 HydrophobicContact CG2-CD2 4.35Å; I206-W244 HydrophobicContact CG2-CE3 3.79Å; I206-W244 HydrophobicContact CG2-CH2 3.76Å; I206-W244 HydrophobicContact CG2-CZ2 4.31Å; I206-W244 HydrophobicContact CG2-CZ3 3.46Å; I206-W244 VanDerWaalsContact CG2-CZ3 3.46Å; V208-W244 HydrophobicContact CB-CZ2 4.41Å; V208-W244 HydrophobicContact CG1-CZ2 4.08Å; V208-W244 HydrophobicContact CG2-CZ2 4.2Å; H211-W244 HydrophobicContact CB-CH2 4.47Å; H211-W244 AromaticContact CD2-CH2 3.8Å; H211-W244 AromaticContact CE1-CH2 3.59Å; H211-W244 AromaticContact CE1-CZ3 3.94Å; H211-W244 AromaticContact CG-CH2 3.72Å; H211-W244 AromaticContact ND1-CH2 3.59Å; H211-W244 AromaticContact NE2-CH2 3.72Å; H211-W244 AromaticContact NE2-CZ3 3.85Å; W232-W244 WeakPolarHBondContact CA-O 3.19Å; M233-W244 HydrophobicContact CB-CB 4.38Å; M233-W244 HydrophobicContact CE-CB 3.63Å; M233-W244 HydrophobicContact CE-CD2 4.17Å; M233-W244 HydrophobicContact CE-CG 3.56Å; M233-W244 PolarHBondContact N-O 3.06Å; M233-W244 PolarHBondContact O-N 3.44Å; C235-W244 PolarHBondContact SG-NE1 2.86Å; T242-W244 PolarHBondContact OG1-NE1 2.9Å; W244-S249 WeakPolarHBondContact CZ3-O 3.42Å; W244-T250 VanDerWaalsContact CE3-C 3.44Å; W244-P251 HydrophobicContact CD2-CB 4.26Å; W244-P251 HydrophobicContact CE3-CB 4.44Å; W244-P251 HydrophobicContact CH2-CB 4.08Å; W244-P251 HydrophobicContact CH2-CG 4.07Å; W244-P251 HydrophobicContact CZ2-CB 3.88Å; W244-P251 HydrophobicContact CZ2-CG 4.32Å; W244-P251 HydrophobicContact CZ3-CB 4.37Å; W244-P251 HydrophobicContact CZ3-CG 4.34Å
245	H	95.6	Very high	95.9	Very high	51 Å²	51	28.4 Å²	28.4	24%	0.236	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.5	166.5	-179.3	-100.6	0	0	0	109.2	W232 R247 S248 S249 T250 T252	W232-H245 HydrophobicContact CE3-CB 4.35Å; W232-H245 HydrophobicContact CH2-CB 4.46Å; W232-H245 HydrophobicContact CZ3-CB 4.04Å; H245-R247 PolarHBondContact O-N 2.9Å; H245-S248 PolarHBondContact ND1-N 2.89Å; H245-S248 PolarHBondContact ND1-OG 3.15Å; H245-S248 PolarHBondContact O-N 2.75Å; H245-S248 PolarHBondContact O-OG 3.25Å; H245-S249 PolarHBondContact O-N 2.72Å; H245-T250 PolarHBondContact N-O 3.18Å; H245-T252 HydrophobicContact CB-CG2 4.1Å
246	L	92.3	Very high	95.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-41.1	-167.1	-74.5	174.5	0	0	0	113.1	L184 L194 Q204 D231 M233 S248 S249	L184-L246 HydrophobicContact CD2-CD2 4Å; L194-L246 HydrophobicContact CD2-CD2 4.47Å; Q204-L246 PolarHBondContact NE2-O 3.04Å; Q204-L246 VanDerWaalsContact NE2-O 3.15Å; D231-L246 WeakPolarHBondContact O-CB 3.28Å; D231-L246 WeakPolarHBondContact O-CG 3.47Å; D231-L246 PolarHBondContact O-N 2.93Å; M233-L246 HydrophobicContact CB-CD1 4.4Å; M233-L246 HydrophobicContact CB-CD2 3.59Å; M233-L246 HydrophobicContact CB-CG 3.96Å; M233-L246 HydrophobicContact CG-CD2 4.38Å; M233-L246 HydrophobicContact SD-CD2 4.03Å; L246-S248 VanDerWaalsContact C-N 3.34Å; L246-S248 PolarHBondContact O-N 2.96Å; L246-S249 PolarHBondContact O-N 2.98Å
247	R	90.1	Very high	95.8	Very high	194 Å²	194	34.3 Å²	34.3	73%	0.732	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.6	-177	-176.4	178	-64.2	-142.7	-0.2	113	H245	H245-R247 PolarHBondContact O-N 2.9Å
248	S	92.9	Very high	95.6	Very high	52 Å²	52	44.9 Å²	44.9	36%	0.364	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-14.7	178.3	54.4	0	0	0	0	112.9	H245 L246 T250	H245-S248 PolarHBondContact ND1-N 2.89Å; H245-S248 PolarHBondContact ND1-OG 3.15Å; H245-S248 PolarHBondContact O-N 2.75Å; H245-S248 PolarHBondContact O-OG 3.25Å; L246-S248 VanDerWaalsContact C-N 3.34Å; L246-S248 PolarHBondContact O-N 2.96Å; S248-T250 PolarHBondContact O-N 2.88Å; S248-T250 PolarHBondContact OG-OG1 3.38Å
249	S	93.2	Very high	95.5	Very high	46 Å²	46	46.2 Å²	46.2	32%	0.322	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	41.6	-171.2	37.6	0	0	0	0	112.7	Q204 W244 H245 L246	Q204-S249 VanDerWaalsContact NE2-CB 3.3Å; Q204-S249 PolarHBondContact NE2-OG 2.85Å; W244-S249 WeakPolarHBondContact CZ3-O 3.42Å; H245-S249 PolarHBondContact O-N 2.72Å; L246-S249 PolarHBondContact O-N 2.98Å
250	T	93.1	Very high	95.5	Very high	63 Å²	63	46.5 Å²	46.5	39%	0.387	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.9	178.8	52.5	0	0	0	0	110.3	W244 H245 S248 T252	W244-T250 VanDerWaalsContact CE3-C 3.44Å; H245-T250 PolarHBondContact N-O 3.18Å; S248-T250 PolarHBondContact O-N 2.88Å; S248-T250 PolarHBondContact OG-OG1 3.38Å; T250-T252 PolarHBondContact O-N 3.49Å
251	P	96	Very high	95.5	Very high	25 Å²	25	46.2 Å²	46.2	16%	0.162	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.9	168.4	29.9	-31.1	0	0	0	108.5	W244	W244-P251 HydrophobicContact CD2-CB 4.26Å; W244-P251 HydrophobicContact CE3-CB 4.44Å; W244-P251 HydrophobicContact CH2-CB 4.08Å; W244-P251 HydrophobicContact CH2-CG 4.07Å; W244-P251 HydrophobicContact CZ2-CB 3.88Å; W244-P251 HydrophobicContact CZ2-CG 4.32Å; W244-P251 HydrophobicContact CZ3-CB 4.37Å; W244-P251 HydrophobicContact CZ3-CG 4.34Å
252	T	96.3	Very high	95.5	Very high	61 Å²	61	49.6 Å²	49.6	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-32.8	179.5	61.2	0	0	0	0	112.3	W232 L243 H245 T250	W232-T252 HydrophobicContact CH2-CG2 4.11Å; W232-T252 HydrophobicContact CZ3-CG2 3.65Å; W232-T252 WeakPolarHBondContact CZ3-OG1 3.39Å; L243-T252 PolarHBondContact O-N 3.04Å; L243-T252 PolarHBondContact O-OG1 3.36Å; H245-T252 HydrophobicContact CB-CG2 4.1Å; T250-T252 PolarHBondContact O-N 3.49Å
253	T	97.1	Very high	95.5	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.172	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.2	-175.1	-51.9	0	0	0	0	109.8	T242 L243 F255 G287	T242-T253 CarbonylContact C-O 3.52Å; T242-T253 WeakPolarHBondContact CA-O 3.17Å; L243-T253 PolarHBondContact N-O 2.61Å; L243-T253 PolarHBondContact O-N 3.4Å; T253-F255 HydrophobicContact CG2-CE1 4.39Å; T253-F255 HydrophobicContact CG2-CZ 4.42Å; T253-G287 VanDerWaalsContact CG2-CA 3.45Å
254	V	97.4	Very high	95.5	Very high	58 Å²	58	52.2 Å²	52.2	35%	0.352	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	172.9	-175.9	0	0	0	0	108.3	A240 T242 P256	A240-V254 HydrophobicContact CB-CG1 3.67Å; T242-V254 HydrophobicContact CG2-CB 4.31Å; T242-V254 HydrophobicContact CG2-CG1 4.18Å; T242-V254 HydrophobicContact CG2-CG2 3.87Å; V254-P256 WeakPolarHBondContact O-CD 3.23Å
255	F	97.8	Very high	95.5	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.278	C	S	.	.			trans	-81.1	121.8	179.3	-61	-81.5	0	0	0	109.6	V234 L241 L243 T253 I257 I271 W283 Q284	V234-F255 HydrophobicContact CG1-CE2 4.43Å; L241-F255 HydrophobicContact CB-CB 4.16Å; L241-F255 HydrophobicContact CB-CD2 4.32Å; L241-F255 HydrophobicContact CD2-CB 3.86Å; L241-F255 HydrophobicContact CD2-CD2 3.89Å; L241-F255 HydrophobicContact CD2-CG 3.99Å; L241-F255 HydrophobicContact CG-CB 4.18Å; L241-F255 HydrophobicContact CG-CD2 3.72Å; L241-F255 HydrophobicContact CG-CG 4.25Å; L241-F255 WeakPolarHBondContact O-CD2 3.37Å; L241-F255 PolarHBondContact O-N 2.89Å; L243-F255 HydrophobicContact CB-CE2 3.9Å; L243-F255 HydrophobicContact CB-CZ 4.14Å; T253-F255 HydrophobicContact CG2-CE1 4.39Å; T253-F255 HydrophobicContact CG2-CZ 4.42Å; F255-I257 VanDerWaalsContact C-N 3.29Å; F255-I257 PolarHBondContact O-N 3.48Å; F255-I271 HydrophobicContact CE1-CD1 4.12Å; F255-I271 HydrophobicContact CE2-CD1 4.06Å; F255-I271 HydrophobicContact CZ-CD1 3.38Å; F255-W283 HydrophobicContact CB-CD2 4.17Å; F255-W283 HydrophobicContact CB-CE3 4.11Å; F255-W283 HydrophobicContact CB-CH2 4.41Å; F255-W283 HydrophobicContact CB-CZ2 4.47Å; F255-W283 HydrophobicContact CB-CZ3 4.22Å; F255-W283 HydrophobicContact CD1-CB 3.71Å; F255-W283 AromaticContact CD1-CD2 3.76Å; F255-W283 HydrophobicContact CD1-CD2 3.76Å; F255-W283 AromaticContact CD1-CE3 3.73Å; F255-W283 HydrophobicContact CD1-CE3 3.73Å; F255-W283 AromaticContact CD1-CG 3.77Å; F255-W283 HydrophobicContact CD1-CG 3.77Å; F255-W283 HydrophobicContact CE1-CB 3.7Å; F255-W283 HydrophobicContact CE1-CG 4.23Å; F255-W283 HydrophobicContact CG-CD2 4.26Å; F255-W283 HydrophobicContact CG-CE3 4.36Å; F255-W283 HydrophobicContact CG-CG 4.41Å; F255-Q284 WeakPolarHBondContact CE1-O 3.45Å
256	P	95.7	Very high	95.5	Very high	103 Å²	103	52.8 Å²	52.8	67%	0.669	27%	0.273	S	S	*	.			trans	-76.6	74.9	-171.7	31.3	-36.9	0	0	0	112	V254 W283 G287	V254-P256 WeakPolarHBondContact O-CD 3.23Å; P256-W283 HydrophobicContact CG-CZ3 4.12Å; P256-G287 WeakPolarHBondContact CD-O 3.39Å
257	I	95.7	Very high	95.6	Very high	24 Å²	24	54.4 Å²	54.4	12%	0.123	28%	0.279	C	S	.	.			trans	-126.3	128.4	175.6	-169.8	157	0	0	0	112	R216 L241 F255 Q261 N281 W283	R216-I257 PolarHBondContact NH1-O 3.2Å; L241-I257 HydrophobicContact CB-CG2 4.16Å; L241-I257 HydrophobicContact CD2-CG2 4.5Å; F255-I257 VanDerWaalsContact C-N 3.29Å; F255-I257 PolarHBondContact O-N 3.48Å; I257-Q261 VanDerWaalsContact CD1-NE2 3.31Å; I257-Q261 HydrophobicContact CG2-CG 4.36Å; I257-N281 WeakPolarHBondContact CD1-ND2 3.34Å; I257-W283 HydrophobicContact CB-CH2 3.9Å; I257-W283 HydrophobicContact CB-CZ2 3.74Å; I257-W283 HydrophobicContact CD1-CZ2 3.84Å; I257-W283 HydrophobicContact CG1-CZ2 4.35Å; I257-W283 HydrophobicContact CG2-CZ2 4.11Å
258	R	93.2	Very high	95.7	Very high	222 Å²	222	51.6 Å²	51.6	84%	0.838	27%	0.274	S	S	*	.			trans	-72.9	-40.8	-178.9	-177.1	179.6	-73.5	-102.7	0.8	112.8
259	A	94.8	Very high	95.6	Very high	28 Å²	28	54 Å²	54	23%	0.231	28%	0.282	C	S	.	.	S	Bend	trans	-71.2	135.6	-176.2	0	0	0	0	0	111.1	Q261	A259-Q261 PolarHBondContact O-N 2.85Å; A259-Q261 PolarHBondContact O-NE2 2.89Å
260	P	96.4	Very high	95.7	Very high	7 Å²	7	52 Å²	52	5%	0.045	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-56.9	133.5	167.2	-25	34.1	0	0	0	111.6	W222 Q276	W222-P260 HydrophobicContact CH2-CB 3.79Å; W222-P260 HydrophobicContact CZ2-CB 3.81Å; W222-P260 HydrophobicContact CZ2-CG 4.43Å; P260-Q276 PolarHBondContact O-N 3.46Å
261	Q	97.1	Very high	96	Very high	2 Å²	2	49 Å²	49	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	144.8	176.2	-56.1	-53.9	-63.5	0	0	109.8	L241 I257 A259 A274	L241-Q261 HydrophobicContact CB-CG 4.31Å; L241-Q261 HydrophobicContact CD1-CB 4.39Å; L241-Q261 HydrophobicContact CD1-CG 4.2Å; L241-Q261 HydrophobicContact CD2-CG 4.2Å; L241-Q261 HydrophobicContact CG-CG 4.47Å; I257-Q261 VanDerWaalsContact CD1-NE2 3.31Å; I257-Q261 HydrophobicContact CG2-CG 4.36Å; A259-Q261 PolarHBondContact O-N 2.85Å; A259-Q261 PolarHBondContact O-NE2 2.89Å; Q261-A274 PolarHBondContact OE1-O 3.47Å
262	K	97.3	Very high	96.1	Very high	71 Å²	71	47.9 Å²	47.9	31%	0.309	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-18.7	180	-66.6	-62.8	-169.2	176.8	0	112.7	W222 A274 L301	W222-K262 HydrophobicContact CH2-CD 3.85Å; W222-K262 VanDerWaalsContact CH2-CE 3.45Å; W222-K262 HydrophobicContact CZ3-CD 3.87Å; K262-A274 PolarHBondContact N-O 3.29Å; K262-L301 HydrophobicContact CB-CD2 4.27Å; K262-L301 HydrophobicContact CG-CD2 4.11Å
263	H	98.1	Very high	96.2	Very high	54 Å²	54	45 Å²	45	25%	0.25	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.6	174.8	-162.5	93.8	0	0	0	110.6	S273 A274 L303	H263-S273 WeakPolarHBondContact O-CA 3.41Å; H263-A274 PolarHBondContact N-O 2.84Å; H263-A274 PolarHBondContact O-N 2.79Å; H263-L303 PolarHBondContact NE2-O 3.25Å
264	V	98.2	Very high	96.2	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.6	175.3	70.3	0	0	0	0	110	C225 A227 V234 L241 I271 L272	C225-V264 HydrophobicContact CB-CB 4.4Å; C225-V264 HydrophobicContact CB-CG1 3.91Å; A227-V264 HydrophobicContact CB-CG1 3.95Å; V234-V264 HydrophobicContact CB-CG1 4.46Å; V234-V264 HydrophobicContact CB-CG2 4.14Å; V234-V264 HydrophobicContact CG1-CG1 4.34Å; V234-V264 HydrophobicContact CG1-CG2 3.65Å; L241-V264 HydrophobicContact CD1-CG2 4.33Å; V264-I271 HydrophobicContact CG2-CG2 3.53Å; V264-L272 CarbonylContact C-O 3.56Å; V264-L272 VanDerWaalsContact CA-O 3.3Å; V264-L272 WeakPolarHBondContact CA-O 3.36Å; V264-L272 WeakPolarHBondContact CG2-O 3.44Å
265	T	97.4	Very high	96.1	Very high	36 Å²	36	41 Å²	41	22%	0.221	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.5	173	-174.4	0	0	0	0	110.6	L272 L305	T265-L272 HydrophobicContact CG2-CB 3.94Å; T265-L272 HydrophobicContact CG2-CD1 4.29Å; T265-L272 HydrophobicContact CG2-CG 4.46Å; T265-L272 PolarHBondContact N-O 2.95Å; T265-L272 PolarHBondContact O-N 3.42Å; T265-L305 HydrophobicContact CG2-CD1 3.83Å
266	F	96.1	Very high	95.9	Very high	27 Å²	27	46.8 Å²	46.8	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.1	165.5	-72.8	-83.3	0	0	0	110.1	A227 D229 W232 V234 L243 I271	A227-F266 HydrophobicContact CB-CD2 3.92Å; A227-F266 HydrophobicContact CB-CE2 4.17Å; D229-F266 HydrophobicContact CB-CB 4.4Å; D229-F266 HydrophobicContact CB-CD1 4.07Å; D229-F266 HydrophobicContact CB-CD2 3.67Å; D229-F266 HydrophobicContact CB-CE1 4.21Å; D229-F266 HydrophobicContact CB-CE2 3.82Å; D229-F266 HydrophobicContact CB-CG 3.79Å; D229-F266 HydrophobicContact CB-CZ 4.06Å; W232-F266 HydrophobicContact CB-CZ 4.13Å; V234-F266 HydrophobicContact CG2-CE1 4.06Å; V234-F266 HydrophobicContact CG2-CE2 3.97Å; V234-F266 HydrophobicContact CG2-CZ 3.5Å; V234-F266 VanDerWaalsContact CG2-CZ 3.5Å; L243-F266 HydrophobicContact CD1-CE1 4.5Å; L243-F266 HydrophobicContact CD1-CZ 4.15Å; F266-I271 HydrophobicContact CD1-CG1 3.87Å; F266-I271 HydrophobicContact CE1-CD1 4.08Å; F266-I271 HydrophobicContact CE1-CG1 3.81Å
267	Y	94.4	Very high	95.7	Very high	36 Å²	36	42.9 Å²	42.9	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	105.8	171.9	179.1	-96.8	0	0	0	109	D269 L270 L272 L305 L332	Y267-D269 PolarHBondContact O-N 3.29Å; Y267-L270 PolarHBondContact N-O 3.3Å; Y267-L270 WeakPolarHBondContact O-CA 3.3Å; Y267-L270 WeakPolarHBondContact O-CB 3.34Å; Y267-L270 PolarHBondContact O-N 2.85Å; Y267-L272 HydrophobicContact CG-CD1 4.23Å; Y267-L305 HydrophobicContact CD2-CD1 3.71Å; Y267-L305 HydrophobicContact CD2-CD2 3.65Å; Y267-L305 HydrophobicContact CD2-CG 4.31Å; Y267-L305 HydrophobicContact CE2-CD2 3.95Å; Y267-L305 HydrophobicContact CG-CD1 4.36Å; Y267-L305 HydrophobicContact CG-CD2 4.46Å; Y267-L332 HydrophobicContact CD1-CD1 3.83Å; Y267-L332 HydrophobicContact CE1-CD1 3.53Å
268	Q	90.7	Very high	95.6	Very high	135 Å²	135	49.8 Å²	49.8	63%	0.631	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	-124	-175.3	-55.6	177	-16.4	0	0	110.4	L270	Q268-L270 VanDerWaalsContact C-N 3.3Å
269	D	91.3	Very high	95.7	Very high	101 Å²	101	40.3 Å²	40.3	54%	0.54	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.2	176.1	64.7	-40	0	0	0	113.5	Y267 L285	Y267-D269 PolarHBondContact O-N 3.29Å; D269-L285 VanDerWaalsContact O-CD1 3.25Å; D269-L285 WeakPolarHBondContact O-CD1 3.38Å
270	L	96.3	Very high	95.9	Very high	6 Å²	6	39 Å²	39	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	157.1	-177	-58.3	174.6	0	0	0	112.2	Y267 Q268 W283 Q284 K290	Y267-L270 PolarHBondContact N-O 3.3Å; Y267-L270 WeakPolarHBondContact O-CA 3.3Å; Y267-L270 WeakPolarHBondContact O-CB 3.34Å; Y267-L270 PolarHBondContact O-N 2.85Å; Q268-L270 VanDerWaalsContact C-N 3.3Å; L270-W283 CarbonylContact C-O 3.58Å; L270-W283 VanDerWaalsContact CA-O 3.31Å; L270-W283 WeakPolarHBondContact CA-O 3.09Å; L270-W283 WeakPolarHBondContact CD2-O 3.33Å; L270-Q284 HydrophobicContact CD2-CG 4.38Å; L270-K290 HydrophobicContact CD1-CD 4.15Å; L270-K290 HydrophobicContact CD2-CD 3.54Å
271	I	97.9	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.3	166.5	-66	158.3	0	0	0	107.8	V234 L243 F255 V264 F266 W283 L285	V234-I271 HydrophobicContact CG1-CG2 4.35Å; V234-I271 HydrophobicContact CG2-CD1 3.56Å; V234-I271 HydrophobicContact CG2-CG1 4.06Å; V234-I271 HydrophobicContact CG2-CG2 4.35Å; L243-I271 HydrophobicContact CD1-CD1 4.44Å; F255-I271 HydrophobicContact CE1-CD1 4.12Å; F255-I271 HydrophobicContact CE2-CD1 4.06Å; F255-I271 HydrophobicContact CZ-CD1 3.38Å; V264-I271 HydrophobicContact CG2-CG2 3.53Å; F266-I271 HydrophobicContact CD1-CG1 3.87Å; F266-I271 HydrophobicContact CE1-CD1 4.08Å; F266-I271 HydrophobicContact CE1-CG1 3.81Å; I271-W283 HydrophobicContact CB-CB 4.24Å; I271-W283 PolarHBondContact N-O 3.2Å; I271-W283 PolarHBondContact O-N 3.33Å; I271-L285 HydrophobicContact CD1-CD1 4.25Å; I271-L285 HydrophobicContact CD1-CG 4.36Å; I271-L285 HydrophobicContact CG1-CD1 4.27Å
272	L	98.3	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.4	173.8	-54.9	-177.7	0	0	0	108.8	V264 T265 Y267 N281 Q282 L303 L305 L317	V264-L272 CarbonylContact C-O 3.56Å; V264-L272 VanDerWaalsContact CA-O 3.3Å; V264-L272 WeakPolarHBondContact CA-O 3.36Å; V264-L272 WeakPolarHBondContact CG2-O 3.44Å; T265-L272 HydrophobicContact CG2-CB 3.94Å; T265-L272 HydrophobicContact CG2-CD1 4.29Å; T265-L272 HydrophobicContact CG2-CG 4.46Å; T265-L272 PolarHBondContact N-O 2.95Å; T265-L272 PolarHBondContact O-N 3.42Å; Y267-L272 HydrophobicContact CG-CD1 4.23Å; L272-N281 WeakPolarHBondContact CA-O 3.47Å; L272-Q282 HydrophobicContact CD2-CB 4.42Å; L272-Q282 HydrophobicContact CD2-CG 3.72Å; L272-L303 HydrophobicContact CB-CD1 4.12Å; L272-L305 HydrophobicContact CD1-CD1 4.39Å; L272-L305 HydrophobicContact CD1-CD2 4.08Å; L272-L317 HydrophobicContact CD1-CD1 4.31Å; L272-L317 HydrophobicContact CD1-CD2 4.24Å
273	S	98.3	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.5	177	57.8	0	0	0	0	112.5	H263 N281 W283	H263-S273 WeakPolarHBondContact O-CA 3.41Å; S273-N281 PolarHBondContact N-O 2.99Å; S273-N281 PolarHBondContact O-N 3.16Å; S273-W283 PolarHBondContact OG-NE1 3.41Å
274	A	97.8	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.2	-179	0	0	0	0	0	110.2	Q261 K262 H263 L300 L303	Q261-A274 PolarHBondContact OE1-O 3.47Å; K262-A274 PolarHBondContact N-O 3.29Å; H263-A274 PolarHBondContact N-O 2.84Å; H263-A274 PolarHBondContact O-N 2.79Å; A274-L300 HydrophobicContact CB-CB 3.71Å; A274-L300 HydrophobicContact CB-CD1 4.11Å; A274-L303 HydrophobicContact CB-CD1 3.8Å; A274-L303 HydrophobicContact CB-CD2 3.84Å; A274-L303 HydrophobicContact CB-CG 3.77Å
275	G	96.1	Very high	95.8	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-138.8	-176.8	0	0	0	0	0	112.9	G277 L300	G275-G277 PolarHBondContact O-N 3.06Å; G275-L300 CarbonylContact C-O 3.58Å; G275-L300 VanDerWaalsContact CA-O 3.3Å; G275-L300 WeakPolarHBondContact CA-O 2.89Å; G275-L300 PolarHBondContact N-O 2.89Å; G275-L300 PolarHBondContact O-N 3.07Å; G275-L300 VanDerWaalsContact O-O 3.14Å
276	Q	93.3	Very high	95.7	Very high	123 Å²	123	41.2 Å²	41.2	58%	0.575	21%	0.206	S	C	*	.	S	Bend	trans	-65.6	-9.9	-178.7	-66.6	-178.5	-12.8	0	0	114.5	P260	P260-Q276 PolarHBondContact O-N 3.46Å
277	G	91.6	Very high	95.7	Very high	22 Å²	22	40.3 Å²	40.3	23%	0.227	20%	0.204	C	C	.	.	S	Bend	trans	-85.6	163.1	174.7	0	0	0	0	0	113.1	G275 C279	G275-G277 PolarHBondContact O-N 3.06Å; G277-C279 VanDerWaalsContact C-N 3.31Å
278	R	93.3	Very high	95.8	Very high	168 Å²	168	44.3 Å²	44.3	63%	0.634	22%	0.224	S	C	*	.	S	Bend	trans	-78.8	-13	177.8	-58.9	-167.9	179.2	-167.3	-1.2	114.3	G295 S297 P298	R278-G295 WeakPolarHBondContact O-CA 3.2Å; R278-G295 PolarHBondContact O-N 2.99Å; R278-S297 WeakPolarHBondContact CG-O 3.23Å; R278-P298 WeakPolarHBondContact CG-O 3.46Å
279	C	96	Very high	96.1	Very high	24 Å²	24	41.6 Å²	41.6	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.5	-171.7	50.2	0	0	0	0	112.1	G277 N281 Q292 V293	G277-C279 VanDerWaalsContact C-N 3.31Å; C279-N281 PolarHBondContact SG-OD1 2.92Å; C279-N281 VanDerWaalsContact SG-OD1 3.32Å; C279-Q292 HydrophobicContact CB-CB 4.09Å; C279-V293 CarbonylContact C-O 3.52Å; C279-V293 VanDerWaalsContact CA-O 3.22Å; C279-V293 WeakPolarHBondContact CA-O 3.4Å; C279-V293 WeakPolarHBondContact CB-O 3.44Å
280	V	97.6	Very high	96.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.4	158.1	-178.3	0	0	0	0	107.1	V293 L300 L303 L317 A319 F329	V280-V293 PolarHBondContact N-O 2.89Å; V280-V293 PolarHBondContact O-N 2.83Å; V280-L300 HydrophobicContact CG2-CD1 3.78Å; V280-L303 HydrophobicContact CG1-CD1 4.34Å; V280-L303 HydrophobicContact CG1-CD2 4.49Å; V280-L303 HydrophobicContact CG2-CD2 4.01Å; V280-L317 HydrophobicContact CG1-CD2 4.17Å; V280-A319 HydrophobicContact CG2-CB 4.28Å; V280-F329 HydrophobicContact CG2-CE2 4.31Å; V280-F329 HydrophobicContact CG2-CZ 4.1Å
281	N	98.1	Very high	96.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.1	179.4	-51.8	-73.4	0	0	0	109.9	I257 L272 S273 C279 W283 L289 Q292	I257-N281 WeakPolarHBondContact CD1-ND2 3.34Å; L272-N281 WeakPolarHBondContact CA-O 3.47Å; S273-N281 PolarHBondContact N-O 2.99Å; S273-N281 PolarHBondContact O-N 3.16Å; C279-N281 PolarHBondContact SG-OD1 2.92Å; C279-N281 VanDerWaalsContact SG-OD1 3.32Å; N281-W283 HydrophobicContact CB-CZ2 4.12Å; N281-L289 HydrophobicContact CB-CD1 4.37Å; N281-Q292 WeakPolarHBondContact OD1-CG 3.32Å; N281-Q292 PolarHBondContact OD1-NE2 2.86Å
282	Q	98	Very high	96.4	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.6	177.8	-61.3	174.4	25.5	0	0	109.3	L272 K290 A291 L332	L272-Q282 HydrophobicContact CD2-CB 4.42Å; L272-Q282 HydrophobicContact CD2-CG 3.72Å; Q282-K290 HydrophobicContact CB-CB 4.36Å; Q282-K290 WeakPolarHBondContact O-CB 3.45Å; Q282-K290 PolarHBondContact O-N 3.35Å; Q282-A291 HydrophobicContact CB-CB 4.28Å; Q282-A291 HydrophobicContact CG-CB 4.48Å; Q282-A291 PolarHBondContact N-O 2.83Å; Q282-A291 PolarHBondContact O-N 2.76Å; Q282-L332 PolarHBondContact NE2-O 2.88Å
283	W	98.2	Very high	96.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.8	-177.3	-53.6	94.4	0	0	0	110.4	F255 P256 I257 L270 I271 S273 N281 E288 L289	F255-W283 HydrophobicContact CB-CD2 4.17Å; F255-W283 HydrophobicContact CB-CE3 4.11Å; F255-W283 HydrophobicContact CB-CH2 4.41Å; F255-W283 HydrophobicContact CB-CZ2 4.47Å; F255-W283 HydrophobicContact CB-CZ3 4.22Å; F255-W283 HydrophobicContact CD1-CB 3.71Å; F255-W283 AromaticContact CD1-CD2 3.76Å; F255-W283 HydrophobicContact CD1-CD2 3.76Å; F255-W283 AromaticContact CD1-CE3 3.73Å; F255-W283 HydrophobicContact CD1-CE3 3.73Å; F255-W283 AromaticContact CD1-CG 3.77Å; F255-W283 HydrophobicContact CD1-CG 3.77Å; F255-W283 HydrophobicContact CE1-CB 3.7Å; F255-W283 HydrophobicContact CE1-CG 4.23Å; F255-W283 HydrophobicContact CG-CD2 4.26Å; F255-W283 HydrophobicContact CG-CE3 4.36Å; F255-W283 HydrophobicContact CG-CG 4.41Å; P256-W283 HydrophobicContact CG-CZ3 4.12Å; I257-W283 HydrophobicContact CB-CH2 3.9Å; I257-W283 HydrophobicContact CB-CZ2 3.74Å; I257-W283 HydrophobicContact CD1-CZ2 3.84Å; I257-W283 HydrophobicContact CG1-CZ2 4.35Å; I257-W283 HydrophobicContact CG2-CZ2 4.11Å; L270-W283 CarbonylContact C-O 3.58Å; L270-W283 VanDerWaalsContact CA-O 3.31Å; L270-W283 WeakPolarHBondContact CA-O 3.09Å; L270-W283 WeakPolarHBondContact CD2-O 3.33Å; I271-W283 HydrophobicContact CB-CB 4.24Å; I271-W283 PolarHBondContact N-O 3.2Å; I271-W283 PolarHBondContact O-N 3.33Å; S273-W283 PolarHBondContact OG-NE1 3.41Å; N281-W283 HydrophobicContact CB-CZ2 4.12Å; W283-E288 WeakPolarHBondContact CA-O 3.3Å; W283-L289 HydrophobicContact CD2-CD1 4.05Å; W283-L289 HydrophobicContact CE3-CB 3.9Å; W283-L289 HydrophobicContact CE3-CD1 3.96Å; W283-L289 HydrophobicContact CH2-CB 4.19Å; W283-L289 HydrophobicContact CH2-CD1 3.81Å; W283-L289 HydrophobicContact CH2-CD2 4.49Å; W283-L289 HydrophobicContact CH2-CG 4.38Å; W283-L289 HydrophobicContact CZ2-CD1 3.89Å; W283-L289 HydrophobicContact CZ3-CB 3.57Å; W283-L289 HydrophobicContact CZ3-CD1 3.85Å; W283-L289 HydrophobicContact CZ3-CG 4.21Å
284	Q	97.3	Very high	96.2	Very high	70 Å²	70	53 Å²	53	33%	0.327	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	153.3	161.7	-60.7	-177	20.7	0	0	109.3	F255 L270 S286 G287 E288 K290	F255-Q284 WeakPolarHBondContact CE1-O 3.45Å; L270-Q284 HydrophobicContact CD2-CG 4.38Å; Q284-S286 WeakPolarHBondContact CB-OG 3.39Å; Q284-S286 PolarHBondContact O-N 3.23Å; Q284-S286 VanDerWaalsContact O-N 3.07Å; Q284-G287 PolarHBondContact O-N 3.47Å; Q284-E288 HydrophobicContact CB-CB 4.46Å; Q284-E288 PolarHBondContact N-O 3.48Å; Q284-K290 HydrophobicContact CG-CB 4.35Å
285	L	94.9	Very high	96	Very high	63 Å²	63	53.8 Å²	53.8	33%	0.33	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.9	176.7	-88.1	68.3	0	0	0	113.3	D269 I271 G287	D269-L285 VanDerWaalsContact O-CD1 3.25Å; D269-L285 WeakPolarHBondContact O-CD1 3.38Å; I271-L285 HydrophobicContact CD1-CD1 4.25Å; I271-L285 HydrophobicContact CD1-CG 4.36Å; I271-L285 HydrophobicContact CG1-CD1 4.27Å; L285-G287 PolarHBondContact O-N 2.77Å
286	S	95.1	Very high	96	Very high	72 Å²	72	55.9 Å²	55.9	50%	0.503	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	174	58.1	0	0	0	0	114.3	Q284	Q284-S286 WeakPolarHBondContact CB-OG 3.39Å; Q284-S286 PolarHBondContact O-N 3.23Å; Q284-S286 VanDerWaalsContact O-N 3.07Å
287	G	95.1	Very high	96.1	Very high	9 Å²	9	50 Å²	50	9%	0.093	27%	0.271	C	S	.	.	S	Bend	trans	101.5	-7.8	-174.3	0	0	0	0	0	114	T253 P256 Q284 L285	T253-G287 VanDerWaalsContact CG2-CA 3.45Å; P256-G287 WeakPolarHBondContact CD-O 3.39Å; Q284-G287 PolarHBondContact O-N 3.47Å; L285-G287 PolarHBondContact O-N 2.77Å
288	E	97.1	Very high	96.2	Very high	120 Å²	120	52.2 Å²	52.2	56%	0.561	28%	0.281	S	S	*	.			trans	-72.3	134.8	179.4	-67.2	-175.2	178.9	0	0	112.2	W283 Q284 K290	W283-E288 WeakPolarHBondContact CA-O 3.3Å; Q284-E288 HydrophobicContact CB-CB 4.46Å; Q284-E288 PolarHBondContact N-O 3.48Å; E288-K290 PolarHBondContact O-N 3.15Å
289	L	97.4	Very high	96.3	Very high	78 Å²	78	44.3 Å²	44.3	41%	0.408	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.6	172.9	-178.7	61.6	0	0	0	109.5	N281 W283 Q292	N281-L289 HydrophobicContact CB-CD1 4.37Å; W283-L289 HydrophobicContact CD2-CD1 4.05Å; W283-L289 HydrophobicContact CE3-CB 3.9Å; W283-L289 HydrophobicContact CE3-CD1 3.96Å; W283-L289 HydrophobicContact CH2-CB 4.19Å; W283-L289 HydrophobicContact CH2-CD1 3.81Å; W283-L289 HydrophobicContact CH2-CD2 4.49Å; W283-L289 HydrophobicContact CH2-CG 4.38Å; W283-L289 HydrophobicContact CZ2-CD1 3.89Å; W283-L289 HydrophobicContact CZ3-CB 3.57Å; W283-L289 HydrophobicContact CZ3-CD1 3.85Å; W283-L289 HydrophobicContact CZ3-CG 4.21Å; L289-Q292 HydrophobicContact CD1-CG 3.91Å; L289-Q292 HydrophobicContact CD2-CG 3.89Å; L289-Q292 HydrophobicContact CG-CG 4.27Å
290	K	96.9	Very high	96.4	Very high	111 Å²	111	43.2 Å²	43.2	48%	0.483	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-46.5	179.5	-177.2	172.7	-177.1	161.8	0	112.1	L270 Q282 Q284 E288	L270-K290 HydrophobicContact CD1-CD 4.15Å; L270-K290 HydrophobicContact CD2-CD 3.54Å; Q282-K290 HydrophobicContact CB-CB 4.36Å; Q282-K290 WeakPolarHBondContact O-CB 3.45Å; Q282-K290 PolarHBondContact O-N 3.35Å; Q284-K290 HydrophobicContact CG-CB 4.35Å; E288-K290 PolarHBondContact O-N 3.15Å
291	A	96.4	Very high	96.4	Very high	33 Å²	33	45 Å²	45	27%	0.273	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.9	-177.6	0	0	0	0	0	112.3	Q282	Q282-A291 HydrophobicContact CB-CB 4.28Å; Q282-A291 HydrophobicContact CG-CB 4.48Å; Q282-A291 PolarHBondContact N-O 2.83Å; Q282-A291 PolarHBondContact O-N 2.76Å
292	Q	96.8	Very high	96.4	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.7	166.4	-66.8	-172.8	-44.5	0	0	108.5	C279 N281 L289 P294	C279-Q292 HydrophobicContact CB-CB 4.09Å; N281-Q292 WeakPolarHBondContact OD1-CG 3.32Å; N281-Q292 PolarHBondContact OD1-NE2 2.86Å; L289-Q292 HydrophobicContact CD1-CG 3.91Å; L289-Q292 HydrophobicContact CD2-CG 3.89Å; L289-Q292 HydrophobicContact CG-CG 4.27Å; Q292-P294 WeakPolarHBondContact O-CD 3.25Å
293	V	97.4	Very high	96.4	Very high	5 Å²	5	45 Å²	45	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.9	-179.4	-169.4	0	0	0	0	108.8	C279 V280 G295 F329 L332	C279-V293 CarbonylContact C-O 3.52Å; C279-V293 VanDerWaalsContact CA-O 3.22Å; C279-V293 WeakPolarHBondContact CA-O 3.4Å; C279-V293 WeakPolarHBondContact CB-O 3.44Å; V280-V293 PolarHBondContact N-O 2.89Å; V280-V293 PolarHBondContact O-N 2.83Å; V293-G295 PolarHBondContact O-N 2.93Å; V293-F329 HydrophobicContact CB-CE1 4.31Å; V293-F329 HydrophobicContact CG1-CD1 4.02Å; V293-F329 HydrophobicContact CG1-CE1 3.62Å; V293-L332 WeakPolarHBondContact CG2-O 3.17Å
294	P	96.3	Very high	96.3	Very high	94 Å²	94	46.1 Å²	46.1	61%	0.61	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.9	179.5	-21.1	33.4	0	0	0	112.2	Q292	Q292-P294 WeakPolarHBondContact O-CD 3.25Å
295	G	93.9	Very high	96.3	Very high	15 Å²	15	44.8 Å²	44.8	16%	0.155	26%	0.258	C	S	.	.			trans	-89.9	178.3	165.3	0	0	0	0	0	112.1	R278 V293 D327	R278-G295 WeakPolarHBondContact O-CA 3.2Å; R278-G295 PolarHBondContact O-N 2.99Å; V293-G295 PolarHBondContact O-N 2.93Å; G295-D327 WeakPolarHBondContact CA-OD2 3.48Å
296	S	94.6	Very high	96.3	Very high	47 Å²	47	42.1 Å²	42.1	33%	0.329	24%	0.244	S	C	.	.	S	Bend	trans	-86.8	-23.5	174.7	70.3	0	0	0	0	113	D327	S296-D327 WeakPolarHBondContact CB-OD1 3.48Å; S296-D327 PolarHBondContact N-OD2 3.23Å; S296-D327 VanDerWaalsContact OG-CG 3.3Å; S296-D327 PolarHBondContact OG-OD1 3.41Å; S296-D327 PolarHBondContact OG-OD2 2.79Å
297	S	95.1	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-79.7	145.6	-177.6	-60.5	0	0	0	0	112.4	R278 G299 S323	R278-S297 WeakPolarHBondContact CG-O 3.23Å; S297-G299 WeakPolarHBondContact CB-O 3.47Å; S297-G299 PolarHBondContact O-N 2.96Å; S297-S323 WeakPolarHBondContact OG-CB 3.16Å
298	P	95	Very high	95.9	Very high	67 Å²	67	46.5 Å²	46.5	44%	0.435	25%	0.254	S	S	.	.	S	Bend	trans	-65.7	-29.1	174.6	26.7	-33.3	0	0	0	112.7	R278 N322	R278-P298 WeakPolarHBondContact CG-O 3.46Å; P298-N322 VanDerWaalsContact CD-O 3.23Å; P298-N322 WeakPolarHBondContact CD-O 3.45Å; P298-N322 HydrophobicContact CG-CB 4.11Å; P298-N322 WeakPolarHBondContact CG-O 3.47Å
299	G	95.8	Very high	95.4	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-150.1	150.9	175.3	0	0	0	0	0	110.5	S297 G321 N322	S297-G299 WeakPolarHBondContact CB-O 3.47Å; S297-G299 PolarHBondContact O-N 2.96Å; G299-G321 WeakPolarHBondContact O-CA 3.31Å; G299-N322 PolarHBondContact O-N 3.31Å
300	L	97.6	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.3	-176.6	-66.4	176.6	0	0	0	110	A274 G275 V280 A319	A274-L300 HydrophobicContact CB-CB 3.71Å; A274-L300 HydrophobicContact CB-CD1 4.11Å; G275-L300 CarbonylContact C-O 3.58Å; G275-L300 VanDerWaalsContact CA-O 3.3Å; G275-L300 WeakPolarHBondContact CA-O 2.89Å; G275-L300 PolarHBondContact N-O 2.89Å; G275-L300 PolarHBondContact O-N 3.07Å; G275-L300 VanDerWaalsContact O-O 3.14Å; V280-L300 HydrophobicContact CG2-CD1 3.78Å; L300-A319 HydrophobicContact CD1-CB 4.18Å; L300-A319 HydrophobicContact CD2-CB 3.97Å
301	L	97.6	Very high	94.6	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.199	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-27.7	-176.7	-60.3	178.3	0	0	0	112.5	T26 F28 K262 A320	T26-L301 HydrophobicContact CG2-CD1 3.5Å; F28-L301 HydrophobicContact CD1-CD1 3.72Å; F28-L301 HydrophobicContact CE1-CD1 3.9Å; K262-L301 HydrophobicContact CB-CD2 4.27Å; K262-L301 HydrophobicContact CG-CD2 4.11Å; L301-A320 PolarHBondContact N-O 3.37Å
302	S	97.8	Very high	94.3	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.6	-176.9	167.8	0	0	0	0	110.9	Q30 A319 A320	Q30-S302 PolarHBondContact NE2-O 2.88Å; Q30-S302 VanDerWaalsContact NE2-O 3.15Å; Q30-S302 PolarHBondContact NE2-OG 2.95Å; S302-A319 WeakPolarHBondContact O-CA 3.29Å; S302-A320 PolarHBondContact N-O 2.83Å; S302-A320 PolarHBondContact O-N 2.7Å
303	L	98	Very high	94.1	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.7	162.7	-58.6	177.8	0	0	0	108.6	H263 L272 A274 V280 L317 T318 A319	H263-L303 PolarHBondContact NE2-O 3.25Å; L272-L303 HydrophobicContact CB-CD1 4.12Å; A274-L303 HydrophobicContact CB-CD1 3.8Å; A274-L303 HydrophobicContact CB-CD2 3.84Å; A274-L303 HydrophobicContact CB-CG 3.77Å; V280-L303 HydrophobicContact CG1-CD1 4.34Å; V280-L303 HydrophobicContact CG1-CD2 4.49Å; V280-L303 HydrophobicContact CG2-CD2 4.01Å; L303-L317 HydrophobicContact CB-CD1 4.17Å; L303-T318 CarbonylContact C-O 3.6Å; L303-T318 WeakPolarHBondContact CA-O 3.46Å; L303-A319 HydrophobicContact CD2-CB 3.6Å
304	S	97.2	Very high	93.9	Very high	25 Å²	25	43.6 Å²	43.6	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.1	172.6	-62.3	0	0	0	0	110.4	Q30 T318	Q30-S304 VanDerWaalsContact CB-OG 3.28Å; Q30-S304 WeakPolarHBondContact CB-OG 3.46Å; S304-T318 PolarHBondContact N-O 2.61Å; S304-T318 PolarHBondContact O-N 3.22Å; S304-T318 PolarHBondContact O-OG1 2.97Å
305	L	95.8	Very high	93.8	Very high	42 Å²	42	44.5 Å²	44.5	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.5	175.6	-71.7	163	0	0	0	108.5	T265 Y267 L272 Q307 L317	T265-L305 HydrophobicContact CG2-CD1 3.83Å; Y267-L305 HydrophobicContact CD2-CD1 3.71Å; Y267-L305 HydrophobicContact CD2-CD2 3.65Å; Y267-L305 HydrophobicContact CD2-CG 4.31Å; Y267-L305 HydrophobicContact CE2-CD2 3.95Å; Y267-L305 HydrophobicContact CG-CD1 4.36Å; Y267-L305 HydrophobicContact CG-CD2 4.46Å; L272-L305 HydrophobicContact CD1-CD1 4.39Å; L272-L305 HydrophobicContact CD1-CD2 4.08Å; L305-Q307 HydrophobicContact CB-CG 4.23Å; L305-Q307 PolarHBondContact O-N 3.13Å; L305-L317 HydrophobicContact CD2-CB 4.12Å; L305-L317 HydrophobicContact CD2-CD1 3.8Å; L305-L317 HydrophobicContact CG-CD1 4.12Å
306	N	95.3	Very high	93.9	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	25%	0.254	C	S	.	.			trans	-83	103.3	171.2	-171.1	5.3	0	0	0	109.3	V32 G36 L53 Q308 C314 K315 V316	V32-N306 HydrophobicContact CG2-CB 4.2Å; G36-N306 PolarHBondContact O-ND2 3.17Å; L53-N306 WeakPolarHBondContact CD2-ND2 3.49Å; N306-Q308 WeakPolarHBondContact OD1-CG 3.49Å; N306-Q308 PolarHBondContact OD1-N 3.21Å; N306-C314 WeakPolarHBondContact CB-O 3.41Å; N306-C314 PolarHBondContact ND2-O 3.29Å; N306-K315 VanDerWaalsContact O-CA 3.31Å; N306-K315 WeakPolarHBondContact O-CA 3.34Å; N306-K315 WeakPolarHBondContact O-CG 3.45Å; N306-V316 HydrophobicContact CB-CG2 4.48Å; N306-V316 PolarHBondContact N-O 3.34Å
307	Q	90.8	Very high	94.1	Very high	111 Å²	111	42.2 Å²	42.2	52%	0.519	24%	0.24	S	C	.	.			trans	-119.2	25.1	179.6	-63.4	-175.9	-23.3	0	0	112.1	L305	L305-Q307 HydrophobicContact CB-CG 4.23Å; L305-Q307 PolarHBondContact O-N 3.13Å
308	Q	90.8	Very high	94.2	Very high	61 Å²	61	42.4 Å²	42.4	29%	0.285	24%	0.241	S	C	.	.			trans	-65.4	128.4	-176.8	-65.4	-61.3	-14.8	0	0	111.3	V32 N306 A310 A311	V32-Q308 HydrophobicContact CG1-CG 3.96Å; N306-Q308 WeakPolarHBondContact OD1-CG 3.49Å; N306-Q308 PolarHBondContact OD1-N 3.21Å; Q308-A310 VanDerWaalsContact C-N 3.26Å; Q308-A310 PolarHBondContact O-N 3.27Å; Q308-A311 PolarHBondContact O-N 3.15Å
309	P	86.6	Confident	94.4	Very high	113 Å²	113	39.2 Å²	39.2	73%	0.734	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.3	-173.2	26.9	-34.5	0	0	0	112.8	A311	P309-A311 VanDerWaalsContact C-N 3.3Å; P309-A311 PolarHBondContact O-N 2.69Å
310	A	87.6	Confident	94.5	Very high	73 Å²	73	39.1 Å²	39.1	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.2	-176.2	0	0	0	0	0	114.5	Q308	Q308-A310 VanDerWaalsContact C-N 3.26Å; Q308-A310 PolarHBondContact O-N 3.27Å
311	A	90.4	Very high	94.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.219	C	C	.	.			trans	-141.2	74.1	178.3	0	0	0	0	0	111.4	C35 K37 Q308 P309 E313 C314	C35-A311 WeakPolarHBondContact O-CB 3.43Å; K37-A311 HydrophobicContact CG-CB 4.14Å; Q308-A311 PolarHBondContact O-N 3.15Å; P309-A311 VanDerWaalsContact C-N 3.3Å; P309-A311 PolarHBondContact O-N 2.69Å; A311-E313 VanDerWaalsContact C-OE2 3.27Å; A311-E313 WeakPolarHBondContact CA-OE2 3.5Å; A311-E313 PolarHBondContact O-N 2.95Å; A311-C314 HydrophobicContact CB-CB 4.1Å; A311-C314 PolarHBondContact O-N 3.24Å
312	P	90.4	Very high	94.4	Very high	92 Å²	92	40.8 Å²	40.8	60%	0.597	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-57.3	-30.1	178.6	-22.6	33.7	0	0	0	113.4	C314 K315	P312-C314 PolarHBondContact O-N 3.33Å; P312-K315 VanDerWaalsContact O-CB 3.24Å; P312-K315 WeakPolarHBondContact O-CB 3.38Å; P312-K315 PolarHBondContact O-N 2.81Å
313	E	91.3	Very high	94.3	Very high	112 Å²	112	41.5 Å²	41.5	52%	0.523	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-64.8	-23	176.6	71.2	-80.2	-171.8	0	0	113.1	A311 K315	A311-E313 VanDerWaalsContact C-OE2 3.27Å; A311-E313 WeakPolarHBondContact CA-OE2 3.5Å; A311-E313 PolarHBondContact O-N 2.95Å; E313-K315 VanDerWaalsContact C-N 3.34Å
314	C	93.5	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-93.7	11.6	178.6	-67.1	0	0	0	0	112.9	G36 L53 L57 N306 A311 P312 V316	G36-C314 VanDerWaalsContact O-CB 3.25Å; G36-C314 WeakPolarHBondContact O-CB 3.22Å; L53-C314 HydrophobicContact CD2-CB 4.16Å; L57-C314 HydrophobicContact CD1-CB 4.4Å; N306-C314 WeakPolarHBondContact CB-O 3.41Å; N306-C314 PolarHBondContact ND2-O 3.29Å; A311-C314 HydrophobicContact CB-CB 4.1Å; A311-C314 PolarHBondContact O-N 3.24Å; P312-C314 PolarHBondContact O-N 3.33Å; C314-V316 PolarHBondContact O-N 3.23Å
315	K	94.8	Very high	94.2	Very high	113 Å²	113	46.7 Å²	46.7	49%	0.491	25%	0.252	S	S	.	.			trans	-72	93.8	-180	-171.7	-179.7	-178.3	177.7	0	111.5	N306 P312 E313	N306-K315 VanDerWaalsContact O-CA 3.31Å; N306-K315 WeakPolarHBondContact O-CA 3.34Å; N306-K315 WeakPolarHBondContact O-CG 3.45Å; P312-K315 VanDerWaalsContact O-CB 3.24Å; P312-K315 WeakPolarHBondContact O-CB 3.38Å; P312-K315 PolarHBondContact O-N 2.81Å; E313-K315 VanDerWaalsContact C-N 3.34Å
316	V	96.5	Very high	94.3	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	24%	0.241	C	C	.	.			trans	-139.2	159.9	-177.3	-57.6	0	0	0	0	111	L53 L57 N306 C314 T318 V328 F329 T330	L53-V316 HydrophobicContact CD1-CG2 4.27Å; L53-V316 HydrophobicContact CD2-CG2 3.82Å; L53-V316 HydrophobicContact CG-CG2 4.45Å; L57-V316 HydrophobicContact CD1-CG1 3.87Å; L57-V316 HydrophobicContact CD2-CG1 4.06Å; N306-V316 HydrophobicContact CB-CG2 4.48Å; N306-V316 PolarHBondContact N-O 3.34Å; C314-V316 PolarHBondContact O-N 3.23Å; V316-T318 HydrophobicContact CG2-CG2 3.99Å; V316-V328 HydrophobicContact CB-CG1 4.08Å; V316-V328 HydrophobicContact CG1-CG1 4.26Å; V316-V328 HydrophobicContact CG2-CG1 3.98Å; V316-F329 WeakPolarHBondContact CB-O 3.42Å; V316-T330 HydrophobicContact CG1-CG2 4.02Å
317	L	97.8	Very high	94.5	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.1	163.4	169.7	71.8	0	0	0	108.4	L272 V280 L303 L305 F329 L332	L272-L317 HydrophobicContact CD1-CD1 4.31Å; L272-L317 HydrophobicContact CD1-CD2 4.24Å; V280-L317 HydrophobicContact CG1-CD2 4.17Å; L303-L317 HydrophobicContact CB-CD1 4.17Å; L305-L317 HydrophobicContact CD2-CB 4.12Å; L305-L317 HydrophobicContact CD2-CD1 3.8Å; L305-L317 HydrophobicContact CG-CD1 4.12Å; L317-F329 HydrophobicContact CB-CB 4.11Å; L317-F329 HydrophobicContact CD2-CD2 4.33Å; L317-F329 HydrophobicContact CD2-CG 4.48Å; L317-F329 HydrophobicContact CG-CD2 4.29Å; L317-F329 PolarHBondContact N-O 2.97Å; L317-F329 WeakPolarHBondContact O-CD2 3.35Å; L317-F329 PolarHBondContact O-N 2.8Å; L317-L332 HydrophobicContact CB-CD2 4.31Å; L317-L332 HydrophobicContact CD2-CD2 3.77Å
318	T	98.1	Very high	94.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.1	170.7	62	0	0	0	0	110.8	Q30 L39 L303 S304 V316 D327 V328	Q30-T318 VanDerWaalsContact OE1-CB 3.27Å; Q30-T318 PolarHBondContact OE1-OG1 2.89Å; L39-T318 HydrophobicContact CD2-CG2 4.1Å; L303-T318 CarbonylContact C-O 3.6Å; L303-T318 WeakPolarHBondContact CA-O 3.46Å; S304-T318 PolarHBondContact N-O 2.61Å; S304-T318 PolarHBondContact O-N 3.22Å; S304-T318 PolarHBondContact O-OG1 2.97Å; V316-T318 HydrophobicContact CG2-CG2 3.99Å; T318-D327 CarbonylContact C-O 3.59Å; T318-D327 VanDerWaalsContact CA-O 3.29Å; T318-D327 WeakPolarHBondContact CA-O 3.5Å; T318-V328 HydrophobicContact CG2-CG2 4.21Å
319	A	98.3	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	179.5	0	0	0	0	0	110.8	V280 L300 S302 L303 D327 F329	V280-A319 HydrophobicContact CG2-CB 4.28Å; L300-A319 HydrophobicContact CD1-CB 4.18Å; L300-A319 HydrophobicContact CD2-CB 3.97Å; S302-A319 WeakPolarHBondContact O-CA 3.29Å; L303-A319 HydrophobicContact CD2-CB 3.6Å; A319-D327 HydrophobicContact CB-CB 4.49Å; A319-D327 PolarHBondContact N-O 2.91Å; A319-D327 PolarHBondContact O-N 2.85Å; A319-F329 HydrophobicContact CB-CE2 3.79Å
320	A	98.1	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.9	179.8	0	0	0	0	0	111.1	I27 Q30 L301 S302 V326	I27-A320 HydrophobicContact CB-CB 3.95Å; I27-A320 HydrophobicContact CG2-CB 3.59Å; Q30-A320 HydrophobicContact CG-CB 4.16Å; L301-A320 PolarHBondContact N-O 3.37Å; S302-A320 PolarHBondContact N-O 2.83Å; S302-A320 PolarHBondContact O-N 2.7Å; A320-V326 HydrophobicContact CB-CG1 4.42Å; A320-V326 HydrophobicContact CB-CG2 4.13Å
321	G	96.9	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-132	179.4	0	0	0	0	0	112.6	I27 G299 S323	I27-G321 PolarHBondContact N-O 2.79Å; G299-G321 WeakPolarHBondContact O-CA 3.31Å; G321-S323 PolarHBondContact O-N 3.32Å
322	N	96.6	Very high	95.7	Very high	74 Å²	74	36.7 Å²	36.7	40%	0.396	19%	0.189	S	C	.	.	S	Bend	trans	-76.6	60.8	-174.9	-59.3	105.1	0	0	0	112.5	P298 G299	P298-N322 VanDerWaalsContact CD-O 3.23Å; P298-N322 WeakPolarHBondContact CD-O 3.45Å; P298-N322 HydrophobicContact CG-CB 4.11Å; P298-N322 WeakPolarHBondContact CG-O 3.47Å; G299-N322 PolarHBondContact O-N 3.31Å
323	S	96.4	Very high	95.8	Very high	24 Å²	24	34.8 Å²	34.8	17%	0.168	19%	0.186	C	C	.	.	S	Bend	trans	-161.1	161.2	179.9	-175.2	0	0	0	0	110.1	M25 I27 S297 G321 R325	M25-S323 CarbonylContact O-C 3.56Å; M25-S323 PolarHBondContact O-N 2.91Å; I27-S323 WeakPolarHBondContact CG1-O 3.5Å; S297-S323 WeakPolarHBondContact OG-CB 3.16Å; G321-S323 PolarHBondContact O-N 3.32Å; S323-R325 PolarHBondContact O-N 2.93Å; S323-R325 PolarHBondContact OG-N 3.3Å
324	C	95.8	Very high	95.9	Very high	24 Å²	24	36 Å²	36	16%	0.162	19%	0.187	C	C	.	.	S	Bend	trans	-82.2	15	167.5	54.9	0	0	0	0	113.5	R22 M25 F341	R22-C324 HydrophobicContact CB-CB 4.32Å; R22-C324 VanDerWaalsContact O-CB 3.31Å; R22-C324 WeakPolarHBondContact O-CB 3.29Å; R22-C324 PolarHBondContact O-SG 2.81Å; M25-C324 HydrophobicContact CB-CB 3.85Å; M25-C324 HydrophobicContact CG-CB 4.27Å; M25-C324 HydrophobicContact SD-CB 3.7Å; C324-F341 HydrophobicContact CB-CB 4.45Å; C324-F341 WeakPolarHBondContact O-CB 3.49Å; C324-F341 PolarHBondContact O-N 3.21Å
325	R	96.8	Very high	96.1	Very high	116 Å²	116	40.4 Å²	40.4	44%	0.438	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.8	-176	-61	-174.8	177.6	174.3	-1.2	111.8	S323 L339	S323-R325 PolarHBondContact O-N 2.93Å; S323-R325 PolarHBondContact OG-N 3.3Å; R325-L339 CarbonylContact C-O 3.59Å; R325-L339 WeakPolarHBondContact CA-O 3.46Å
326	V	98.2	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.2	170.6	-176.7	0	0	0	0	108.3	I27 L39 A41 A320 S338 L339	I27-V326 HydrophobicContact CD1-CG2 3.69Å; L39-V326 HydrophobicContact CD2-CG1 4.17Å; A41-V326 HydrophobicContact CB-CG2 4.35Å; A320-V326 HydrophobicContact CB-CG1 4.42Å; A320-V326 HydrophobicContact CB-CG2 4.13Å; V326-S338 CarbonylContact O-C 3.34Å; V326-S338 WeakPolarHBondContact O-CA 3.07Å; V326-S338 WeakPolarHBondContact O-CB 3.22Å; V326-L339 HydrophobicContact CB-CB 4.34Å; V326-L339 PolarHBondContact N-O 3.06Å; V326-L339 PolarHBondContact O-N 2.96Å
327	D	98.1	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.2	177.1	-68	-36.6	0	0	0	110.1	G295 S296 T318 A319 F329 R335	G295-D327 WeakPolarHBondContact CA-OD2 3.48Å; S296-D327 WeakPolarHBondContact CB-OD1 3.48Å; S296-D327 PolarHBondContact N-OD2 3.23Å; S296-D327 VanDerWaalsContact OG-CG 3.3Å; S296-D327 PolarHBondContact OG-OD1 3.41Å; S296-D327 PolarHBondContact OG-OD2 2.79Å; T318-D327 CarbonylContact C-O 3.59Å; T318-D327 VanDerWaalsContact CA-O 3.29Å; T318-D327 WeakPolarHBondContact CA-O 3.5Å; A319-D327 HydrophobicContact CB-CB 4.49Å; A319-D327 PolarHBondContact N-O 2.91Å; A319-D327 PolarHBondContact O-N 2.85Å; D327-F329 HydrophobicContact CB-CD2 4.49Å; D327-F329 HydrophobicContact CB-CE2 3.6Å; D327-F329 HydrophobicContact CB-CZ 3.98Å; D327-R335 HydrophobicContact CB-CG 4.13Å; D327-R335 WeakPolarHBondContact OD1-CD 3.39Å; D327-R335 IonicContact OD1-NE 2.72Å
328	V	98.1	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	179.7	-175.4	0	0	0	0	109.9	V316 T318 A336 F337 L339	V316-V328 HydrophobicContact CB-CG1 4.08Å; V316-V328 HydrophobicContact CG1-CG1 4.26Å; V316-V328 HydrophobicContact CG2-CG1 3.98Å; T318-V328 HydrophobicContact CG2-CG2 4.21Å; V328-A336 PolarHBondContact O-N 3.25Å; V328-F337 HydrophobicContact CB-CD2 4.17Å; V328-F337 HydrophobicContact CB-CE1 4.35Å; V328-F337 HydrophobicContact CB-CE2 3.82Å; V328-F337 HydrophobicContact CB-CZ 3.93Å; V328-F337 HydrophobicContact CG1-CE1 4.18Å; V328-F337 HydrophobicContact CG1-CE2 4.17Å; V328-F337 HydrophobicContact CG1-CZ 3.79Å; V328-F337 HydrophobicContact CG2-CD2 4.16Å; V328-F337 HydrophobicContact CG2-CE2 3.67Å; V328-F337 HydrophobicContact CG2-CZ 4.15Å; V328-F337 PolarHBondContact N-O 2.87Å; V328-L339 HydrophobicContact CG2-CD1 3.95Å; V328-L339 HydrophobicContact CG2-CG 3.96Å
329	F	97.5	Very high	96	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	102.7	-178.8	-57.8	-97.5	0	0	0	108.6	V280 V293 V316 L317 A319 D327 N331 R335	V280-F329 HydrophobicContact CG2-CE2 4.31Å; V280-F329 HydrophobicContact CG2-CZ 4.1Å; V293-F329 HydrophobicContact CB-CE1 4.31Å; V293-F329 HydrophobicContact CG1-CD1 4.02Å; V293-F329 HydrophobicContact CG1-CE1 3.62Å; V316-F329 WeakPolarHBondContact CB-O 3.42Å; L317-F329 HydrophobicContact CB-CB 4.11Å; L317-F329 HydrophobicContact CD2-CD2 4.33Å; L317-F329 HydrophobicContact CD2-CG 4.48Å; L317-F329 HydrophobicContact CG-CD2 4.29Å; L317-F329 PolarHBondContact N-O 2.97Å; L317-F329 WeakPolarHBondContact O-CD2 3.35Å; L317-F329 PolarHBondContact O-N 2.8Å; A319-F329 HydrophobicContact CB-CE2 3.79Å; D327-F329 HydrophobicContact CB-CD2 4.49Å; D327-F329 HydrophobicContact CB-CE2 3.6Å; D327-F329 HydrophobicContact CB-CZ 3.98Å; F329-N331 VanDerWaalsContact C-N 3.26Å; F329-R335 HydrophobicContact CD1-CB 4.1Å; F329-R335 HydrophobicContact CE1-CB 3.7Å; F329-R335 HydrophobicContact CE1-CG 4.35Å; F329-R335 HydrophobicContact CZ-CB 4.19Å; F329-R335 HydrophobicContact CZ-CG 4.42Å
330	T	94.4	Very high	95.9	Very high	65 Å²	65	39.4 Å²	39.4	40%	0.399	21%	0.211	S	C	.	.	S	Bend	trans	-75.4	-21.4	172	55	0	0	0	0	112	L57 V316 A336	L57-T330 HydrophobicContact CD2-CG2 3.58Å; V316-T330 HydrophobicContact CG1-CG2 4.02Å; T330-A336 HydrophobicContact CG2-CB 3.94Å
331	N	92.1	Very high	95.5	Very high	95 Å²	95	40.8 Å²	40.8	51%	0.508	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-135.7	152.6	168.8	-172.5	1.9	0	0	0	108.9	F329 G333 Y334	F329-N331 VanDerWaalsContact C-N 3.26Å; N331-G333 PolarHBondContact O-N 3.07Å; N331-G333 VanDerWaalsContact O-N 3.15Å; N331-Y334 HydrophobicContact CB-CE1 4.37Å; N331-Y334 VanDerWaalsContact O-O 3.14Å
332	L	90.9	Very high	95.5	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.168	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	10.1	176	-63.4	-179.4	0	0	0	113.2	Y267 Q282 V293 L317	Y267-L332 HydrophobicContact CD1-CD1 3.83Å; Y267-L332 HydrophobicContact CE1-CD1 3.53Å; Q282-L332 PolarHBondContact NE2-O 2.88Å; V293-L332 WeakPolarHBondContact CG2-O 3.17Å; L317-L332 HydrophobicContact CB-CD2 4.31Å; L317-L332 HydrophobicContact CD2-CD2 3.77Å
333	G	91.9	Very high	95.4	Very high	52 Å²	52	41.2 Å²	41.2	54%	0.536	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-29.5	176.9	0	0	0	0	0	114.4	N331	N331-G333 PolarHBondContact O-N 3.07Å; N331-G333 VanDerWaalsContact O-N 3.15Å
334	Y	93.8	Very high	95.4	Very high	137 Å²	137	42.1 Å²	42.1	54%	0.537	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-158.2	156.8	-174.2	65.4	-87.9	0	0	0	111.1	N331	N331-Y334 HydrophobicContact CB-CE1 4.37Å; N331-Y334 VanDerWaalsContact O-O 3.14Å
335	R	96.2	Very high	95.3	Very high	94 Å²	94	43.2 Å²	43.2	36%	0.355	23%	0.225	S	C	.	.			trans	-77.6	125.3	172.2	-179.1	-176.7	60.6	77.8	5.6	110	D327 F329 F337	D327-R335 HydrophobicContact CB-CG 4.13Å; D327-R335 WeakPolarHBondContact OD1-CD 3.39Å; D327-R335 IonicContact OD1-NE 2.72Å; F329-R335 HydrophobicContact CD1-CB 4.1Å; F329-R335 HydrophobicContact CE1-CB 3.7Å; F329-R335 HydrophobicContact CE1-CG 4.35Å; F329-R335 HydrophobicContact CZ-CB 4.19Å; F329-R335 HydrophobicContact CZ-CG 4.42Å; R335-F337 WeakPolarHBondContact CG-O 3.46Å
336	A	95.7	Very high	95.2	Very high	39 Å²	39	38.6 Å²	38.6	32%	0.322	21%	0.212	S	C	.	.			trans	-77.3	-53.6	-179.9	0	0	0	0	0	111.7	V328 T330	V328-A336 PolarHBondContact O-N 3.25Å; T330-A336 HydrophobicContact CG2-CB 3.94Å
337	F	96.6	Very high	95	Very high	30 Å²	30	41.2 Å²	41.2	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-176.3	177.6	57.2	-90.2	0	0	0	110.1	A56 L57 V328 R335 L339	A56-F337 HydrophobicContact CB-CE2 3.92Å; A56-F337 HydrophobicContact CB-CZ 4.02Å; L57-F337 HydrophobicContact CD2-CE1 3.75Å; L57-F337 HydrophobicContact CD2-CZ 3.82Å; L57-F337 HydrophobicContact CG-CZ 4.26Å; V328-F337 HydrophobicContact CB-CD2 4.17Å; V328-F337 HydrophobicContact CB-CE1 4.35Å; V328-F337 HydrophobicContact CB-CE2 3.82Å; V328-F337 HydrophobicContact CB-CZ 3.93Å; V328-F337 HydrophobicContact CG1-CE1 4.18Å; V328-F337 HydrophobicContact CG1-CE2 4.17Å; V328-F337 HydrophobicContact CG1-CZ 3.79Å; V328-F337 HydrophobicContact CG2-CD2 4.16Å; V328-F337 HydrophobicContact CG2-CE2 3.67Å; V328-F337 HydrophobicContact CG2-CZ 4.15Å; V328-F337 PolarHBondContact N-O 2.87Å; R335-F337 WeakPolarHBondContact CG-O 3.46Å; F337-L339 HydrophobicContact CD2-CD2 4.34Å; F337-L339 HydrophobicContact CE2-CD2 3.85Å; F337-L339 HydrophobicContact CE2-CG 4.2Å
338	S	97.1	Very high	94.8	Very high	18 Å²	18	44.1 Å²	44.1	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.3	170.8	51.7	0	0	0	0	111.2	V326	V326-S338 CarbonylContact O-C 3.34Å; V326-S338 WeakPolarHBondContact O-CA 3.07Å; V326-S338 WeakPolarHBondContact O-CB 3.22Å
339	L	97.3	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.4	173.1	-59.4	171.1	0	0	0	107.9	L39 F51 L53 A56 K66 R325 V326 V328 F337	L39-L339 HydrophobicContact CD2-CD1 4.2Å; F51-L339 HydrophobicContact CB-CD1 3.86Å; F51-L339 HydrophobicContact CD1-CB 3.91Å; F51-L339 HydrophobicContact CD1-CD1 4.16Å; F51-L339 HydrophobicContact CD1-CD2 4.31Å; F51-L339 HydrophobicContact CD1-CG 4.35Å; F51-L339 HydrophobicContact CD2-CD1 4.22Å; F51-L339 HydrophobicContact CE1-CB 3.83Å; F51-L339 HydrophobicContact CG-CB 4.29Å; F51-L339 HydrophobicContact CG-CD1 3.82Å; F51-L339 HydrophobicContact CZ-CB 4.16Å; L53-L339 HydrophobicContact CD1-CD1 4.47Å; A56-L339 HydrophobicContact CB-CD2 3.91Å; K66-L339 HydrophobicContact CB-CD2 4.16Å; K66-L339 WeakPolarHBondContact O-CA 3.47Å; R325-L339 CarbonylContact C-O 3.59Å; R325-L339 WeakPolarHBondContact CA-O 3.46Å; V326-L339 HydrophobicContact CB-CB 4.34Å; V326-L339 PolarHBondContact N-O 3.06Å; V326-L339 PolarHBondContact O-N 2.96Å; V328-L339 HydrophobicContact CG2-CD1 3.95Å; V328-L339 HydrophobicContact CG2-CG 3.96Å; F337-L339 HydrophobicContact CD2-CD2 4.34Å; F337-L339 HydrophobicContact CE2-CD2 3.85Å; F337-L339 HydrophobicContact CE2-CG 4.2Å
340	S	95.8	Very high	94.3	Very high	22 Å²	22	51.1 Å²	51.1	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.5	179.8	-62.6	0	0	0	0	109.8	F51 K66 P68	F51-S340 WeakPolarHBondContact CE1-O 3.48Å; K66-S340 PolarHBondContact O-N 3.22Å; P68-S340 VanDerWaalsContact CD-O 3.29Å; P68-S340 WeakPolarHBondContact CD-O 3.34Å
341	F	90.3	Very high	94.3	Very high	29 Å²	29	49.8 Å²	49.8	13%	0.127	27%	0.269	C	S	.	.			trans	-58.3	0	167	-137.6	-82.1	0	0	0	111	M25 I27 A41 N43 Q47 A49 K67 T71 C324	M25-F341 HydrophobicContact CE-CB 4.18Å; M25-F341 HydrophobicContact CE-CD1 3.71Å; M25-F341 HydrophobicContact CE-CE1 4.26Å; M25-F341 HydrophobicContact CE-CG 4.05Å; M25-F341 HydrophobicContact SD-CB 3.57Å; M25-F341 VanDerWaalsContact SD-CB 3.57Å; M25-F341 HydrophobicContact SD-CD1 3.82Å; M25-F341 HydrophobicContact SD-CD2 3.95Å; M25-F341 HydrophobicContact SD-CE1 4.44Å; M25-F341 HydrophobicContact SD-CG 3.53Å; M25-F341 VanDerWaalsContact SD-CG 3.53Å; I27-F341 HydrophobicContact CD1-CD2 4.28Å; I27-F341 HydrophobicContact CG1-CD2 4.5Å; A41-F341 HydrophobicContact CB-CE2 4.4Å; N43-F341 HydrophobicContact CB-CE2 4.14Å; N43-F341 HydrophobicContact CB-CZ 4.11Å; N43-F341 VanDerWaalsContact ND2-CE1 3.34Å; N43-F341 WeakPolarHBondContact ND2-CE1 2.82Å; N43-F341 VanDerWaalsContact ND2-CZ 3.32Å; N43-F341 WeakPolarHBondContact ND2-CZ 3.35Å; Q47-F341 HydrophobicContact CB-CE1 4.16Å; Q47-F341 HydrophobicContact CB-CZ 4.1Å; A49-F341 HydrophobicContact CB-CD1 4.26Å; A49-F341 HydrophobicContact CB-CD2 3.64Å; A49-F341 HydrophobicContact CB-CE1 3.92Å; A49-F341 HydrophobicContact CB-CE2 3.24Å; A49-F341 HydrophobicContact CB-CG 4.15Å; A49-F341 HydrophobicContact CB-CZ 3.4Å; K67-F341 PolarHBondContact NZ-O 2.76Å; T71-F341 HydrophobicContact CG2-CE1 3.75Å; T71-F341 HydrophobicContact CG2-CZ 4.37Å; C324-F341 HydrophobicContact CB-CB 4.45Å; C324-F341 WeakPolarHBondContact O-CB 3.49Å; C324-F341 PolarHBondContact O-N 3.21Å

Retrieved 341 of 341 residues in 92.5 ms (Link to these results)

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