A0A087WP24_MOUSE Loading...

Putative protein-lysine deacylase ABHD14B

Acts as an atypical protein-lysine deacetylase in vitro. Catalyzes the deacetylation of lysine residues using CoA as substrate, generating acetyl-CoA and the free amine of protein-lysine residues. Additional experiments are however required to confirm the protein-lysine deacetylase activity in vivo. Has hydrolase activity towards various surrogate p-nitrophenyl (pNp) substrates, such as pNp-butyrate, pNp-acetate and pNp-octanoate in vitro, with a strong preference for pNp-acetate. May activate transcription.

AlphaFold DB , UniProt , Accession A0A087WP24, Species MOUSE (Mus musculus, Mouse), Gene Abhd14b, Length 142 aa.

						>A0A087WP24_MOUSE|A0A087WP24|Abhd14b
MAGVDQHEGTIKVQGQNLFFRETRPGSGQPVRFSVLLLHGIRFSSETWQNLGTLQRLAEAGYRAVAIDLPGLGRSKEAAAPAPIGEPAPGSFLAAVVDTLELGPPVVISPSLSGMYSLPFLVAPGSQLRGFVPVAPICTDKI
					

Structure Viewer

Loading PAE data...

(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	51	Low	87	Confident	223 Å²	223	77.2 Å²	77.2	100%	1.099	44%	0.437	S	S	*	.				0	132.5	0	-67.7	173.3	-166.1	0	0	106.6	G3	M1-G3 PolarHBondContact O-N 2.74Å
2	A	60	Low	87.9	Confident	47 Å²	47	82.4 Å²	82.4	39%	0.388	45%	0.451	S	S	.	.			trans	-61.4	133.2	170	0	0	0	0	0	107.8
3	G	81.9	Confident	88.6	Confident	51 Å²	51	76.2 Å²	76.2	53%	0.526	42%	0.417	S	S	.	.			trans	-60.4	148.2	175.6	0	0	0	0	0	110.2	M1 G26	M1-G3 PolarHBondContact O-N 2.74Å; G3-G26 WeakPolarHBondContact O-CA 3.37Å; G3-G26 PolarHBondContact O-N 3.05Å
4	V	90.2	Very high	89	Confident	34 Å²	34	77.8 Å²	77.8	21%	0.206	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.8	168.3	-65.7	0	0	0	0	108.4	T23 R24 Q55 A58 E59	V4-T23 HydrophobicContact CB-CG2 3.86Å; V4-T23 HydrophobicContact CG2-CG2 4.08Å; V4-R24 WeakPolarHBondContact CA-O 3.09Å; V4-Q55 HydrophobicContact CG2-CG 4.37Å; V4-A58 HydrophobicContact CB-CB 4.24Å; V4-A58 HydrophobicContact CG1-CB 3.74Å; V4-E59 HydrophobicContact CG1-CG 3.86Å
5	D	92.4	Very high	89.4	Confident	77 Å²	77	76.4 Å²	76.4	41%	0.412	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119	179	-64.4	-29.2	0	0	0	108.2	T23 R24 S27	D5-T23 CarbonylContact O-C 3.51Å; D5-T23 WeakPolarHBondContact O-CA 3.4Å; D5-R24 PolarHBondContact N-O 3.46Å; D5-R24 PolarHBondContact O-N 3.27Å; D5-S27 PolarHBondContact OD2-N 3.33Å; D5-S27 PolarHBondContact OD2-OG 3.15Å
6	Q	94.3	Very high	89.8	Confident	114 Å²	114	74.9 Å²	74.9	53%	0.533	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.8	179.7	-69.2	-176.5	18.6	0	0	110.5	E22 T23	Q6-E22 WeakPolarHBondContact CA-O 3.28Å; Q6-T23 HydrophobicContact CG-CG2 3.83Å
7	H	94.6	Very high	90.3	Very high	97 Å²	97	76.6 Å²	76.6	45%	0.449	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.9	-178.8	171.6	-98.7	0	0	0	110.6	F20 E22	H7-F20 AromaticContact CE1-CZ 3.55Å; H7-F20 AromaticContact ND1-CE2 3.67Å; H7-F20 AromaticContact ND1-CZ 3.69Å; H7-E22 PolarHBondContact N-O 3.34Å; H7-E22 PolarHBondContact O-N 3.34Å
8	E	97.9	Very high	90.7	Very high	85 Å²	85	72.4 Å²	72.4	40%	0.397	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.5	171.6	-60.9	-178.9	-159	0	0	108.8	F19 F20 R21 R74	E8-F19 HydrophobicContact CB-CE2 4.13Å; E8-F19 HydrophobicContact CB-CZ 3.9Å; E8-F19 HydrophobicContact CG-CZ 4.16Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.31Å; E8-F20 WeakPolarHBondContact CA-O 3.44Å; E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 2.94Å; E8-R21 IonicContact OE1-NH1 3.64Å; E8-R21 PolarHBondContact OE1-NH1 3.21Å; E8-R21 IonicContact OE2-CZ 3.3Å; E8-R21 IonicContact OE2-NH1 2.76Å; E8-R21 PolarHBondContact OE2-NH1 2.98Å; E8-R21 IonicContact OE2-NH2 3.1Å; E8-R74 IonicContact OE2-NH1 3.42Å; E8-R74 PolarHBondContact OE2-NH1 2.78Å
9	G	97.9	Very high	91.2	Very high	17 Å²	17	69.2 Å²	69.2	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-174.7	-179.2	0	0	0	0	0	113.5	F19 F20	G9-F19 WeakPolarHBondContact O-CA 3.42Å; G9-F19 VanDerWaalsContact O-CD2 3.28Å; G9-F19 WeakPolarHBondContact O-CD2 3.45Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 VanDerWaalsContact C-CE1 3.44Å; G9-F20 PolarHBondContact N-O 3.39Å; G9-F20 WeakPolarHBondContact O-CD1 3.49Å; G9-F20 PolarHBondContact O-N 2.95Å
10	T	98.4	Very high	91.6	Very high	87 Å²	87	66.5 Å²	66.5	53%	0.534	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.2	173.6	-62	0	0	0	0	108.6	N17 L18	T10-N17 HydrophobicContact CG2-CB 3.61Å; T10-L18 CarbonylContact C-O 3.55Å; T10-L18 VanDerWaalsContact CA-O 3.27Å; T10-L18 WeakPolarHBondContact CA-O 3.11Å
11	I	98.1	Very high	91.9	Very high	17 Å²	17	63.9 Å²	63.9	9%	0.087	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	153	173.9	55.7	174.7	0	0	0	110.2	V13 N17 L18 F20 V96 T99 L100	I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.96Å; I11-N17 CarbonylContact O-C 3.57Å; I11-N17 WeakPolarHBondContact O-CA 3.38Å; I11-L18 HydrophobicContact CG1-CB 4.1Å; I11-L18 PolarHBondContact N-O 3.09Å; I11-L18 PolarHBondContact O-N 2.87Å; I11-F20 HydrophobicContact CG1-CD1 4.46Å; I11-F20 HydrophobicContact CG2-CD1 3.88Å; I11-F20 HydrophobicContact CG2-CE1 3.62Å; I11-F20 HydrophobicContact CG2-CZ 4.46Å; I11-V96 HydrophobicContact CD1-CG1 4.46Å; I11-T99 HydrophobicContact CB-CG2 3.86Å; I11-T99 HydrophobicContact CG2-CG2 4.14Å; I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.06Å; I11-L100 HydrophobicContact CD1-CG 3.66Å; I11-L100 HydrophobicContact CG2-CD2 3.63Å; I11-L100 HydrophobicContact CG2-CG 4.2Å
12	K	98.1	Very high	94.2	Very high	140 Å²	140	53.8 Å²	53.8	61%	0.609	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.4	174.5	-167.3	170.8	-176.5	175.3	0	110	G15 Q16	K12-G15 WeakPolarHBondContact CE-O 3.44Å; K12-Q16 CarbonylContact C-O 3.58Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.14Å
13	V	97.4	Very high	96	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.2	-179.7	176.8	0	0	0	0	108.6	I11 G15 Q16 L18 F92 A95 V96	I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.96Å; V13-G15 PolarHBondContact O-N 2.98Å; V13-G15 VanDerWaalsContact O-N 3.13Å; V13-Q16 PolarHBondContact N-O 2.95Å; V13-Q16 PolarHBondContact O-N 2.87Å; V13-L18 HydrophobicContact CB-CD1 3.89Å; V13-L18 HydrophobicContact CB-CG 4.42Å; V13-L18 HydrophobicContact CG1-CD1 4.35Å; V13-L18 HydrophobicContact CG2-CD1 3.97Å; V13-F92 HydrophobicContact CG1-CD2 4.21Å; V13-F92 HydrophobicContact CG1-CE2 4.06Å; V13-A95 HydrophobicContact CG1-CB 3.93Å; V13-V96 HydrophobicContact CG1-CG2 3.98Å; V13-V96 HydrophobicContact CG2-CG2 4Å
14	Q	94.3	Very high	96.6	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.3	-179.6	-59.6	-177	-2.4	0	0	113.2	Q16 S91 A95	Q14-Q16 VanDerWaalsContact C-N 3.34Å; Q14-Q16 PolarHBondContact O-N 2.85Å; Q14-S91 PolarHBondContact NE2-O 3.19Å; Q14-A95 HydrophobicContact CG-CB 4.28Å
15	G	94	Very high	96.9	Very high	57 Å²	57	52.5 Å²	52.5	59%	0.588	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-7.8	179.5	0	0	0	0	0	115.5	K12 V13	K12-G15 WeakPolarHBondContact CE-O 3.44Å; V13-G15 PolarHBondContact O-N 2.98Å; V13-G15 VanDerWaalsContact O-N 3.13Å
16	Q	96.1	Very high	96.7	Very high	52 Å²	52	49.2 Å²	49.2	24%	0.243	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.8	-174.8	-52.2	-165.6	80.4	0	0	112.2	K12 V13 Q14 A78 A79	K12-Q16 CarbonylContact C-O 3.58Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.14Å; V13-Q16 PolarHBondContact N-O 2.95Å; V13-Q16 PolarHBondContact O-N 2.87Å; Q14-Q16 VanDerWaalsContact C-N 3.34Å; Q14-Q16 PolarHBondContact O-N 2.85Å; Q16-A78 HydrophobicContact CB-CB 4.18Å; Q16-A79 PolarHBondContact NE2-O 2.7Å; Q16-A79 PolarHBondContact OE1-O 3.06Å
17	N	98.1	Very high	96.1	Very high	104 Å²	104	49 Å²	49	56%	0.556	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.6	178.8	-73.3	-26.4	0	0	0	110.7	T10 I11	T10-N17 HydrophobicContact CG2-CB 3.61Å; I11-N17 CarbonylContact O-C 3.57Å; I11-N17 WeakPolarHBondContact O-CA 3.38Å
18	L	98.7	Very high	95.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.3	172.8	-59.2	-179.5	0	0	0	110.4	T10 I11 V13 P70 S75 A78 F92 V96	T10-L18 CarbonylContact C-O 3.55Å; T10-L18 VanDerWaalsContact CA-O 3.27Å; T10-L18 WeakPolarHBondContact CA-O 3.11Å; I11-L18 HydrophobicContact CG1-CB 4.1Å; I11-L18 PolarHBondContact N-O 3.09Å; I11-L18 PolarHBondContact O-N 2.87Å; V13-L18 HydrophobicContact CB-CD1 3.89Å; V13-L18 HydrophobicContact CB-CG 4.42Å; V13-L18 HydrophobicContact CG1-CD1 4.35Å; V13-L18 HydrophobicContact CG2-CD1 3.97Å; L18-P70 HydrophobicContact CD2-CG 4.05Å; L18-S75 WeakPolarHBondContact CA-OG 3.26Å; L18-A78 HydrophobicContact CD2-CB 3.78Å; L18-F92 HydrophobicContact CD1-CE2 4.1Å; L18-F92 HydrophobicContact CD1-CZ 3.63Å; L18-V96 HydrophobicContact CD1-CG2 4.2Å
19	F	98.8	Very high	94.5	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.6	173.1	-178.8	-96.1	0	0	0	110.9	E8 G9 R21 I67 D68 R74 S75	E8-F19 HydrophobicContact CB-CE2 4.13Å; E8-F19 HydrophobicContact CB-CZ 3.9Å; E8-F19 HydrophobicContact CG-CZ 4.16Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.31Å; G9-F19 WeakPolarHBondContact O-CA 3.42Å; G9-F19 VanDerWaalsContact O-CD2 3.28Å; G9-F19 WeakPolarHBondContact O-CD2 3.45Å; F19-R21 HydrophobicContact CE1-CG 3.6Å; F19-R21 HydrophobicContact CZ-CG 4.06Å; F19-I67 WeakPolarHBondContact O-CA 3.44Å; F19-D68 HydrophobicContact CB-CB 4.33Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.47Å; F19-D68 PolarHBondContact O-N 3.34Å; F19-R74 HydrophobicContact CB-CB 3.64Å; F19-R74 HydrophobicContact CD1-CB 3.84Å; F19-R74 HydrophobicContact CD1-CG 4.21Å; F19-R74 HydrophobicContact CD2-CB 4.06Å; F19-R74 HydrophobicContact CE1-CG 4.48Å; F19-R74 HydrophobicContact CG-CB 3.56Å; F19-R74 HydrophobicContact CG-CG 4.29Å; F19-S75 PolarHBondContact N-OG 2.94Å
20	F	98.8	Very high	94	Very high	14 Å²	14	53.2 Å²	53.2	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.8	173.7	77.1	-82.8	0	0	0	112.3	H7 E8 G9 I11 E22 V65 A66 I67 L100	H7-F20 AromaticContact CE1-CZ 3.55Å; H7-F20 AromaticContact ND1-CE2 3.67Å; H7-F20 AromaticContact ND1-CZ 3.69Å; E8-F20 WeakPolarHBondContact CA-O 3.44Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 VanDerWaalsContact C-CE1 3.44Å; G9-F20 PolarHBondContact N-O 3.39Å; G9-F20 WeakPolarHBondContact O-CD1 3.49Å; G9-F20 PolarHBondContact O-N 2.95Å; I11-F20 HydrophobicContact CG1-CD1 4.46Å; I11-F20 HydrophobicContact CG2-CD1 3.88Å; I11-F20 HydrophobicContact CG2-CE1 3.62Å; I11-F20 HydrophobicContact CG2-CZ 4.46Å; F20-E22 HydrophobicContact CD2-CB 4.07Å; F20-E22 HydrophobicContact CE2-CB 3.87Å; F20-V65 HydrophobicContact CB-CG1 4.4Å; F20-V65 HydrophobicContact CD2-CG1 3.99Å; F20-A66 CarbonylContact C-O 3.51Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.48Å; F20-A66 WeakPolarHBondContact CB-O 3.28Å; F20-I67 HydrophobicContact CB-CG2 3.93Å; F20-L100 HydrophobicContact CD1-CD2 4.22Å; F20-L100 HydrophobicContact CD2-CD2 4.1Å; F20-L100 HydrophobicContact CE1-CD2 4.14Å; F20-L100 HydrophobicContact CE2-CD2 4Å; F20-L100 HydrophobicContact CG-CD2 4.19Å; F20-L100 HydrophobicContact CZ-CD2 4Å
21	R	98.8	Very high	93.8	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.045	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.9	169.5	-58	177.6	176	-79.1	-9.1	108.2	E8 F19 S45 Q49 L54 V65 A66	E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 2.94Å; E8-R21 IonicContact OE1-NH1 3.64Å; E8-R21 PolarHBondContact OE1-NH1 3.21Å; E8-R21 IonicContact OE2-CZ 3.3Å; E8-R21 IonicContact OE2-NH1 2.76Å; E8-R21 PolarHBondContact OE2-NH1 2.98Å; E8-R21 IonicContact OE2-NH2 3.1Å; F19-R21 HydrophobicContact CE1-CG 3.6Å; F19-R21 HydrophobicContact CZ-CG 4.06Å; R21-S45 WeakPolarHBondContact CD-OG 3.42Å; R21-S45 PolarHBondContact NE-OG 2.75Å; R21-Q49 VanDerWaalsContact NH1-CD 3.33Å; R21-L54 HydrophobicContact CB-CD1 3.85Å; R21-V65 CarbonylContact O-C 3.44Å; R21-V65 WeakPolarHBondContact O-CA 3.39Å; R21-A66 PolarHBondContact N-O 2.81Å; R21-A66 PolarHBondContact O-N 3.1Å
22	E	98.5	Very high	93.6	Very high	12 Å²	12	58.6 Å²	58.6	6%	0.056	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.3	-179	175	172.6	-104.3	0	0	110	Q6 H7 F20 R24 R63 A64 V65	Q6-E22 WeakPolarHBondContact CA-O 3.28Å; H7-E22 PolarHBondContact N-O 3.34Å; H7-E22 PolarHBondContact O-N 3.34Å; F20-E22 HydrophobicContact CD2-CB 4.07Å; F20-E22 HydrophobicContact CE2-CB 3.87Å; E22-R24 HydrophobicContact CG-CG 4.01Å; E22-R24 IonicContact OE1-CZ 2.6Å; E22-R24 IonicContact OE1-NE 3.05Å; E22-R24 PolarHBondContact OE1-NE 2.92Å; E22-R24 IonicContact OE1-NH2 3.8Å; E22-R24 PolarHBondContact OE1-NH2 2.86Å; E22-R24 VanDerWaalsContact OE1-NH2 3.1Å; E22-R24 IonicContact OE2-CZ 3.83Å; E22-R24 VanDerWaalsContact OE2-CZ 3.3Å; E22-R24 IonicContact OE2-NE 3.38Å; E22-R24 PolarHBondContact OE2-NE 3.06Å; E22-R24 IonicContact OE2-NH2 3.68Å; E22-R24 PolarHBondContact OE2-NH2 3.32Å; E22-R63 IonicContact OE1-CZ 3.16Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 2.92Å; E22-R63 IonicContact OE1-NH2 2.78Å; E22-R63 PolarHBondContact OE1-NH2 3.27Å; E22-A64 CarbonylContact C-O 3.58Å; E22-A64 VanDerWaalsContact CA-O 3.31Å; E22-A64 WeakPolarHBondContact CA-O 3.45Å; E22-V65 HydrophobicContact CB-CG2 4.25Å; E22-V65 HydrophobicContact CG-CG2 3.98Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.32Å
23	T	97.9	Very high	93.6	Very high	4 Å²	4	54 Å²	54	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.9	166.6	-50.1	0	0	0	0	109	V4 D5 Q6 L54 A58 A64	V4-T23 HydrophobicContact CB-CG2 3.86Å; V4-T23 HydrophobicContact CG2-CG2 4.08Å; D5-T23 CarbonylContact O-C 3.51Å; D5-T23 WeakPolarHBondContact O-CA 3.4Å; Q6-T23 HydrophobicContact CG-CG2 3.83Å; T23-L54 WeakPolarHBondContact OG1-CB 3.36Å; T23-A58 HydrophobicContact CG2-CB 3.43Å; T23-A58 VanDerWaalsContact CG2-CB 3.43Å; T23-A64 PolarHBondContact N-O 3.04Å; T23-A64 PolarHBondContact O-N 2.92Å
24	R	96.3	Very high	93.6	Very high	95 Å²	95	54.3 Å²	54.3	36%	0.358	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.4	179.3	-61.5	-175.3	-176.8	-141.5	-0	110.6	V4 D5 E22 R63	V4-R24 WeakPolarHBondContact CA-O 3.09Å; D5-R24 PolarHBondContact N-O 3.46Å; D5-R24 PolarHBondContact O-N 3.27Å; E22-R24 HydrophobicContact CG-CG 4.01Å; E22-R24 IonicContact OE1-CZ 2.6Å; E22-R24 IonicContact OE1-NE 3.05Å; E22-R24 PolarHBondContact OE1-NE 2.92Å; E22-R24 IonicContact OE1-NH2 3.8Å; E22-R24 PolarHBondContact OE1-NH2 2.86Å; E22-R24 VanDerWaalsContact OE1-NH2 3.1Å; E22-R24 IonicContact OE2-CZ 3.83Å; E22-R24 VanDerWaalsContact OE2-CZ 3.3Å; E22-R24 IonicContact OE2-NE 3.38Å; E22-R24 PolarHBondContact OE2-NE 3.06Å; E22-R24 IonicContact OE2-NH2 3.68Å; E22-R24 PolarHBondContact OE2-NH2 3.32Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.26Å
25	P	94.9	Very high	93.9	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	141.6	161.2	-20.1	32.7	0	0	0	109.2	Q29 V31 Y62	P25-Q29 HydrophobicContact CB-CB 3.92Å; P25-V31 HydrophobicContact CG-CG2 4.21Å; P25-Y62 WeakPolarHBondContact CD-O 3.46Å
26	G	89.5	Confident	94.1	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	27%	0.266	C	S	.	.			trans	-60.1	156.6	-176.3	0	0	0	0	0	113.2	G3 G28 Q29	G3-G26 WeakPolarHBondContact O-CA 3.37Å; G3-G26 PolarHBondContact O-N 3.05Å; G26-G28 PolarHBondContact O-N 3.22Å; G26-Q29 WeakPolarHBondContact O-CB 3.39Å; G26-Q29 PolarHBondContact O-N 2.88Å
27	S	80.9	Confident	94.2	Very high	111 Å²	111	44.7 Å²	44.7	78%	0.776	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.6	126.1	179.3	-70.1	0	0	0	0	113.8	D5	D5-S27 PolarHBondContact OD2-N 3.33Å; D5-S27 PolarHBondContact OD2-OG 3.15Å
28	G	77.2	Confident	94.3	Very high	88 Å²	88	39.8 Å²	39.8	91%	0.907	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	-5.1	180	0	0	0	0	0	115.4	G26	G26-G28 PolarHBondContact O-N 3.22Å
29	Q	82.4	Confident	94.3	Very high	87 Å²	87	39.8 Å²	39.8	41%	0.407	23%	0.228	S	C	.	.	S	Bend	trans	-90.7	136.4	173.3	-63.4	-164.1	-14.2	0	0	112.1	P25 G26 V31	P25-Q29 HydrophobicContact CB-CB 3.92Å; G26-Q29 WeakPolarHBondContact O-CB 3.39Å; G26-Q29 PolarHBondContact O-N 2.88Å; Q29-V31 PolarHBondContact O-N 3.14Å
30	P	86.4	Confident	94.2	Very high	112 Å²	112	39.4 Å²	39.4	73%	0.727	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-68.3	128.8	176.4	27.9	-33.1	0	0	0	110.5
31	V	94	Very high	94.2	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.406	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-79.4	123.9	171.3	178.9	0	0	0	0	108.9	P25 Q29 R63	P25-V31 HydrophobicContact CG-CG2 4.21Å; Q29-V31 PolarHBondContact O-N 3.14Å; V31-R63 HydrophobicContact CG1-CB 3.61Å
32	R	95.4	Very high	94.1	Very high	150 Å²	150	52.5 Å²	52.5	57%	0.566	28%	0.282	S	S	*	.			trans	-70.3	-58.6	178.9	-64.3	-178.8	65.8	-152.3	-4.4	111.8	G61 Y62	R32-G61 PolarHBondContact N-O 3.08Å; R32-Y62 HydrophobicContact CB-CD1 4.17Å; R32-Y62 HydrophobicContact CB-CE1 4.34Å; R32-Y62 PolarHBondContact NH1-OH 3.07Å
33	F	97.1	Very high	94.1	Very high	44 Å²	44	57 Å²	57	19%	0.193	30%	0.301	C	S	.	.			trans	-166.7	169.6	176.1	49.9	-102.2	0	0	0	110.4	V35 Y62 R63 V106	F33-V35 HydrophobicContact CD2-CG2 4.45Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; F33-Y62 HydrophobicContact CD1-CE1 4.45Å; F33-Y62 AromaticContact CD2-CD1 3.89Å; F33-Y62 HydrophobicContact CD2-CD1 3.89Å; F33-Y62 HydrophobicContact CD2-CE1 4.25Å; F33-Y62 HydrophobicContact CE1-CD1 4.29Å; F33-Y62 AromaticContact CE1-CE1 3.8Å; F33-Y62 HydrophobicContact CE1-CE1 3.8Å; F33-Y62 AromaticContact CE2-CD1 3.59Å; F33-Y62 HydrophobicContact CE2-CD1 3.59Å; F33-Y62 AromaticContact CE2-CE1 3.55Å; F33-Y62 HydrophobicContact CE2-CE1 3.55Å; F33-Y62 HydrophobicContact CG-CD1 4.36Å; F33-Y62 AromaticContact CZ-CD1 3.83Å; F33-Y62 HydrophobicContact CZ-CD1 3.83Å; F33-Y62 AromaticContact CZ-CE1 3.31Å; F33-Y62 HydrophobicContact CZ-CE1 3.31Å; F33-R63 PolarHBondContact O-N 3.43Å; F33-R63 VanDerWaalsContact O-N 3.09Å; F33-V106 HydrophobicContact CD2-CG2 4.13Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.43Å
34	S	98.4	Very high	94.2	Very high	7 Å²	7	57.6 Å²	57.6	5%	0.049	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144.2	-180	-50.3	0	0	0	0	112.1	R63 L102 P105 V106	S34-R63 CarbonylContact C-O 3.54Å; S34-R63 VanDerWaalsContact CA-O 3.28Å; S34-R63 WeakPolarHBondContact CA-O 3.16Å; S34-L102 VanDerWaalsContact CB-O 3.3Å; S34-L102 WeakPolarHBondContact CB-O 3.37Å; S34-L102 PolarHBondContact OG-O 3.27Å; S34-P105 VanDerWaalsContact O-CA 3.29Å; S34-P105 WeakPolarHBondContact O-CA 3.46Å; S34-V106 PolarHBondContact O-N 2.82Å
35	V	98.8	Very high	94.3	Very high	6 Å²	6	53 Å²	53	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.7	169.9	-176.1	0	0	0	0	107.2	F33 L37 L57 Y62 R63 V65 V106 I108	F33-V35 HydrophobicContact CD2-CG2 4.45Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.37Å; V35-L37 WeakPolarHBondContact O-CD1 3.38Å; V35-L57 HydrophobicContact CB-CD1 4.18Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.46Å; V35-Y62 HydrophobicContact CG2-CG 4.31Å; V35-R63 PolarHBondContact N-O 3.42Å; V35-V65 PolarHBondContact O-N 2.86Å; V35-V106 CarbonylContact C-O 3.53Å; V35-V106 WeakPolarHBondContact CA-O 3.42Å; V35-V106 HydrophobicContact CG1-CB 4.46Å; V35-V106 HydrophobicContact CG2-CB 4.35Å; V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.97Å
36	L	98.8	Very high	94.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.3	175.2	177.6	61.7	0	0	0	109.1	L38 V65 I67 V96 V97 L102 P105 V106 V107 I108	L36-L38 HydrophobicContact CD1-CD2 4.47Å; L36-L38 HydrophobicContact CD2-CD2 4.31Å; L36-L38 HydrophobicContact CG-CD2 4.13Å; L36-V65 CarbonylContact C-O 3.56Å; L36-V65 WeakPolarHBondContact CA-O 3.37Å; L36-I67 HydrophobicContact CD1-CG1 4.43Å; L36-I67 HydrophobicContact CD1-CG2 4.08Å; L36-V96 HydrophobicContact CD1-CG1 4.47Å; L36-V96 HydrophobicContact CD2-CG1 4.34Å; L36-V97 HydrophobicContact CD2-CG2 4.17Å; L36-L102 HydrophobicContact CB-CD1 4.16Å; L36-L102 HydrophobicContact CD1-CD1 4.23Å; L36-L102 HydrophobicContact CD2-CD1 4.45Å; L36-P105 HydrophobicContact CB-CB 4.48Å; L36-V106 PolarHBondContact N-O 3.14Å; L36-V107 HydrophobicContact CB-CG2 4.24Å; L36-V107 HydrophobicContact CD2-CG2 4.29Å; L36-V107 WeakPolarHBondContact O-CA 3.26Å; L36-I108 PolarHBondContact O-N 2.95Å
37	L	98.9	Very high	94.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118	179.7	-57.6	88.6	0	0	0	109.7	V35 W48 T53 L54 L57 A64 V65 A66 I67 I108	V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.37Å; V35-L37 WeakPolarHBondContact O-CD1 3.38Å; L37-W48 HydrophobicContact CB-CD2 4.39Å; L37-W48 HydrophobicContact CB-CG 4.25Å; L37-W48 HydrophobicContact CD2-CB 4.35Å; L37-W48 HydrophobicContact CD2-CD2 3.67Å; L37-W48 HydrophobicContact CD2-CE3 3.9Å; L37-W48 HydrophobicContact CD2-CG 3.9Å; L37-W48 HydrophobicContact CD2-CZ2 4.49Å; L37-W48 HydrophobicContact CD2-CZ3 4.41Å; L37-T53 HydrophobicContact CD2-CG2 3.75Å; L37-L54 HydrophobicContact CD1-CD2 3.69Å; L37-L54 HydrophobicContact CD2-CD2 4.22Å; L37-L57 HydrophobicContact CD1-CD1 4.06Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; L37-A64 HydrophobicContact CD1-CB 4.29Å; L37-V65 WeakPolarHBondContact CD1-O 3.5Å; L37-V65 PolarHBondContact N-O 3.44Å; L37-A66 HydrophobicContact CB-CB 4.06Å; L37-A66 WeakPolarHBondContact O-CA 3.21Å; L37-I67 PolarHBondContact O-N 2.99Å; L37-I108 HydrophobicContact CD2-CD1 4.2Å; L37-I108 HydrophobicContact CG-CD1 4.17Å
38	L	98.9	Very high	95.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.			trans	-95.8	175	170.8	-50.4	179.6	0	0	0	109.7	L36 W48 I67 L69 L93 V107 I108 P110	L36-L38 HydrophobicContact CD1-CD2 4.47Å; L36-L38 HydrophobicContact CD2-CD2 4.31Å; L36-L38 HydrophobicContact CG-CD2 4.13Å; L38-W48 PolarHBondContact O-NE1 3.25Å; L38-I67 HydrophobicContact CD2-CD1 3.89Å; L38-I67 HydrophobicContact CD2-CG1 3.84Å; L38-L69 HydrophobicContact CD2-CD2 4.45Å; L38-L93 HydrophobicContact CD1-CD1 3.88Å; L38-L93 HydrophobicContact CD2-CD2 4.13Å; L38-V107 HydrophobicContact CD1-CG1 4Å; L38-V107 HydrophobicContact CG-CG1 4.35Å; L38-I108 WeakPolarHBondContact CB-O 3.17Å; L38-I108 PolarHBondContact N-O 3.18Å; L38-P110 WeakPolarHBondContact O-CD 3.45Å
39	H	98.8	Very high	96.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	26%	0.26	C	S	.	.			trans	-137.4	162.5	-177.2	67.6	83.7	0	0	0	113.1	F43 I67 L69 S113	H39-F43 HydrophobicContact CB-CB 4.24Å; H39-F43 PolarHBondContact CE1-O 3.49Å; H39-F43 PolarHBondContact ND1-O 3.15Å; H39-I67 PolarHBondContact CD2-O 3.29Å; H39-I67 VanDerWaalsContact CD2-O 3.27Å; H39-L69 PolarHBondContact NE2-N 3.12Å; H39-S113 WeakPolarHBondContact O-CB 3.3Å
40	G	98.2	Very high	97.5	Very high	4 Å²	4	56.5 Å²	56.5	4%	0.041	27%	0.272	C	S	.	.			trans	-81.1	168.8	170.5	0	0	0	0	0	112.1	R42 F43	G40-R42 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 3.11Å; G40-R42 VanDerWaalsContact O-N 3.14Å; G40-F43 PolarHBondContact O-N 2.84Å
41	I	97.8	Very high	98.1	Very high	83 Å²	83	56.6 Å²	56.6	43%	0.426	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.9	-172.1	-163.2	166.8	0	0	0	115.1	L72 I84 L112	I41-L72 HydrophobicContact CG1-CD1 4.45Å; I41-L72 HydrophobicContact CG1-CD2 4.32Å; I41-I84 HydrophobicContact CD1-CD1 3.77Å; I41-L112 HydrophobicContact CB-CB 4.18Å; I41-L112 HydrophobicContact CB-CD2 3.77Å; I41-L112 HydrophobicContact CB-CG 4.4Å; I41-L112 HydrophobicContact CD1-CD2 4.49Å; I41-L112 HydrophobicContact CG1-CD2 4Å
42	R	97.5	Very high	98.3	Very high	217 Å²	217	54.3 Å²	54.3	82%	0.819	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	1.7	179.9	-65.1	-167.3	-66.7	-172.5	-2.4	114	G40	G40-R42 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 3.11Å; G40-R42 VanDerWaalsContact O-N 3.14Å
43	F	98.4	Very high	98.4	Very high	107 Å²	107	48.5 Å²	48.5	47%	0.469	24%	0.236	S	C	.	.			trans	-124.9	178.7	-173.1	-57.7	-70.8	0	0	0	110.1	H39 G40 T47	H39-F43 HydrophobicContact CB-CB 4.24Å; H39-F43 PolarHBondContact CE1-O 3.49Å; H39-F43 PolarHBondContact ND1-O 3.15Å; G40-F43 PolarHBondContact O-N 2.84Å; F43-T47 HydrophobicContact CB-CG2 4.35Å; F43-T47 HydrophobicContact CD1-CG2 3.68Å; F43-T47 HydrophobicContact CE1-CG2 4.38Å; F43-T47 HydrophobicContact CG-CG2 4.3Å
44	S	98.8	Very high	98.5	Very high	16 Å²	16	46.5 Å²	46.5	11%	0.112	23%	0.228	C	C	.	.			trans	-155.9	-179.7	179	63.5	0	0	0	0	110	E46 T47 D68	S44-E46 PolarHBondContact O-N 2.98Å; S44-E46 WeakPolarHBondContact OG-CB 3.34Å; S44-E46 PolarHBondContact OG-N 3.32Å; S44-T47 PolarHBondContact N-OG1 2.7Å; S44-T47 VanDerWaalsContact O-CB 3.3Å; S44-T47 WeakPolarHBondContact O-CB 2.97Å; S44-T47 PolarHBondContact O-N 2.97Å; S44-T47 PolarHBondContact O-OG1 3.43Å; S44-D68 WeakPolarHBondContact CB-OD1 3.35Å
45	S	98.7	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-53.2	-31.9	169.6	62	0	0	0	0	112.9	R21 T47 W48 Q49 D68	R21-S45 WeakPolarHBondContact CD-OG 3.42Å; R21-S45 PolarHBondContact NE-OG 2.75Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 2.93Å; S45-W48 PolarHBondContact O-N 2.8Å; S45-Q49 PolarHBondContact O-N 2.93Å; S45-Q49 VanDerWaalsContact O-N 3.14Å; S45-D68 WeakPolarHBondContact CB-OD1 3.29Å; S45-D68 PolarHBondContact N-OD1 2.96Å; S45-D68 PolarHBondContact OG-OD1 3.25Å
46	E	98.7	Very high	98.4	Very high	96 Å²	96	58.3 Å²	58.3	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-33	176.4	-179	177.6	-116.8	0	0	112.2	S44 W48 Q49 N50	S44-E46 PolarHBondContact O-N 2.98Å; S44-E46 WeakPolarHBondContact OG-CB 3.34Å; S44-E46 PolarHBondContact OG-N 3.32Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 2.81Å; E46-Q49 PolarHBondContact O-N 2.94Å; E46-N50 WeakPolarHBondContact O-CB 3.29Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.9Å
47	T	98.8	Very high	98.3	Very high	52 Å²	52	59.9 Å²	59.9	32%	0.319	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.6	-52.2	0	0	0	0	111.1	F43 S44 S45 Q49 N50 L51	F43-T47 HydrophobicContact CB-CG2 4.35Å; F43-T47 HydrophobicContact CD1-CG2 3.68Å; F43-T47 HydrophobicContact CE1-CG2 4.38Å; F43-T47 HydrophobicContact CG-CG2 4.3Å; S44-T47 PolarHBondContact N-OG1 2.7Å; S44-T47 VanDerWaalsContact O-CB 3.3Å; S44-T47 WeakPolarHBondContact O-CB 2.97Å; S44-T47 PolarHBondContact O-N 2.97Å; S44-T47 PolarHBondContact O-OG1 3.43Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 2.93Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; T47-N50 PolarHBondContact O-N 2.88Å; T47-L51 VanDerWaalsContact O-CB 3.27Å; T47-L51 WeakPolarHBondContact O-CB 3.3Å; T47-L51 PolarHBondContact O-N 2.86Å
48	W	98.7	Very high	98.3	Very high	44 Å²	44	59.9 Å²	59.9	17%	0.167	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-35.7	176.9	-68.2	121.7	0	0	0	112.9	L37 L38 S45 E46 L51 G52 T53 L54 A66 I108 P110	L37-W48 HydrophobicContact CB-CD2 4.39Å; L37-W48 HydrophobicContact CB-CG 4.25Å; L37-W48 HydrophobicContact CD2-CB 4.35Å; L37-W48 HydrophobicContact CD2-CD2 3.67Å; L37-W48 HydrophobicContact CD2-CE3 3.9Å; L37-W48 HydrophobicContact CD2-CG 3.9Å; L37-W48 HydrophobicContact CD2-CZ2 4.49Å; L37-W48 HydrophobicContact CD2-CZ3 4.41Å; L38-W48 PolarHBondContact O-NE1 3.25Å; S45-W48 PolarHBondContact O-N 2.8Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 2.81Å; W48-L51 HydrophobicContact CE3-CD2 4.3Å; W48-L51 HydrophobicContact CZ3-CD2 4.27Å; W48-G52 PolarHBondContact O-N 2.88Å; W48-T53 HydrophobicContact CE3-CG2 3.81Å; W48-T53 HydrophobicContact CZ3-CG2 4.05Å; W48-T53 PolarHBondContact O-N 2.7Å; W48-L54 HydrophobicContact CB-CD2 4.39Å; W48-L54 HydrophobicContact CB-CG 4.2Å; W48-A66 HydrophobicContact CB-CB 4.37Å; W48-A66 HydrophobicContact CG-CB 4.48Å; W48-I108 HydrophobicContact CH2-CG2 4.21Å; W48-I108 HydrophobicContact CZ2-CG2 4.21Å; W48-P110 HydrophobicContact CZ2-CG 4.2Å
49	Q	98.3	Very high	98.1	Very high	59 Å²	59	63.8 Å²	63.8	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-51.6	174.2	-179.1	172.7	-62.7	0	0	111.1	R21 S45 E46 T47 L51 G52 L54	R21-Q49 VanDerWaalsContact NH1-CD 3.33Å; S45-Q49 PolarHBondContact O-N 2.93Å; S45-Q49 VanDerWaalsContact O-N 3.14Å; E46-Q49 PolarHBondContact O-N 2.94Å; T47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.97Å; Q49-G52 WeakPolarHBondContact O-CA 3.42Å; Q49-G52 PolarHBondContact O-N 3.35Å; Q49-L54 HydrophobicContact CB-CD1 4.24Å
50	N	98.2	Very high	98	Very high	120 Å²	120	66.2 Å²	66.2	64%	0.642	32%	0.321	S	S	*	.	H	α-helix	trans	-66.9	-30.9	-177.1	-68	-12	0	0	0	112.6	E46 T47 G52	E46-N50 WeakPolarHBondContact O-CB 3.29Å; E46-N50 VanDerWaalsContact O-CG 3.29Å; E46-N50 PolarHBondContact O-N 2.9Å; T47-N50 PolarHBondContact O-N 2.88Å; N50-G52 PolarHBondContact O-N 3.38Å
51	L	98.4	Very high	97.9	Very high	115 Å²	115	66.6 Å²	66.6	60%	0.602	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.1	172.2	-171.1	59.7	0	0	0	112.7	T47 W48 Q49 T53	T47-L51 VanDerWaalsContact O-CB 3.27Å; T47-L51 WeakPolarHBondContact O-CB 3.3Å; T47-L51 PolarHBondContact O-N 2.86Å; W48-L51 HydrophobicContact CE3-CD2 4.3Å; W48-L51 HydrophobicContact CZ3-CD2 4.27Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.97Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.36Å
52	G	98.1	Very high	97.9	Very high	18 Å²	18	65 Å²	65	19%	0.186	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	12	-176.3	0	0	0	0	0	113.9	W48 Q49 N50 Q55 R56	W48-G52 PolarHBondContact O-N 2.88Å; Q49-G52 WeakPolarHBondContact O-CA 3.42Å; Q49-G52 PolarHBondContact O-N 3.35Å; N50-G52 PolarHBondContact O-N 3.38Å; G52-Q55 PolarHBondContact O-N 2.98Å; G52-R56 WeakPolarHBondContact O-CG 3.45Å; G52-R56 PolarHBondContact O-N 3.4Å
53	T	98.6	Very high	97.9	Very high	28 Å²	28	55.9 Å²	55.9	17%	0.172	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-42.2	-176.7	-52.9	0	0	0	0	111.8	L37 W48 L51 Q55 R56 L57	L37-T53 HydrophobicContact CD2-CG2 3.75Å; W48-T53 HydrophobicContact CE3-CG2 3.81Å; W48-T53 HydrophobicContact CZ3-CG2 4.05Å; W48-T53 PolarHBondContact O-N 2.7Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.36Å; T53-Q55 VanDerWaalsContact C-N 3.32Å; T53-Q55 PolarHBondContact O-N 3.45Å; T53-R56 PolarHBondContact O-N 2.92Å; T53-L57 HydrophobicContact CG2-CD1 4.17Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.29Å
54	L	98.4	Very high	97.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-44.8	177.3	-60.1	-179.3	0	0	0	111.3	R21 T23 L37 W48 Q49 L57 A58 A64 A66	R21-L54 HydrophobicContact CB-CD1 3.85Å; T23-L54 WeakPolarHBondContact OG1-CB 3.36Å; L37-L54 HydrophobicContact CD1-CD2 3.69Å; L37-L54 HydrophobicContact CD2-CD2 4.22Å; W48-L54 HydrophobicContact CB-CD2 4.39Å; W48-L54 HydrophobicContact CB-CG 4.2Å; Q49-L54 HydrophobicContact CB-CD1 4.24Å; L54-L57 PolarHBondContact O-N 3.36Å; L54-A58 PolarHBondContact O-N 3.15Å; L54-A58 VanDerWaalsContact O-N 3.08Å; L54-A64 HydrophobicContact CB-CB 4.34Å; L54-A64 HydrophobicContact CD2-CB 3.84Å; L54-A66 HydrophobicContact CD1-CB 4.37Å; L54-A66 HydrophobicContact CD2-CB 3.98Å
55	Q	97.3	Very high	97.9	Very high	78 Å²	78	50 Å²	50	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-49.7	177.1	179.3	172	-3	0	0	112	V4 G52 T53 L57 A58 E59	V4-Q55 HydrophobicContact CG2-CG 4.37Å; G52-Q55 PolarHBondContact O-N 2.98Å; T53-Q55 VanDerWaalsContact C-N 3.32Å; T53-Q55 PolarHBondContact O-N 3.45Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 3.2Å; Q55-A58 PolarHBondContact O-N 2.9Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.38Å; Q55-E59 PolarHBondContact NE2-OE1 2.99Å; Q55-E59 WeakPolarHBondContact O-CG 3.28Å; Q55-E59 PolarHBondContact O-N 3.47Å
56	R	97.8	Very high	97.9	Very high	183 Å²	183	50 Å²	50	69%	0.691	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-37	-179.4	-72.1	-177.3	-170.7	-80.6	2.1	112.8	G52 T53 A60	G52-R56 WeakPolarHBondContact O-CG 3.45Å; G52-R56 PolarHBondContact O-N 3.4Å; T53-R56 PolarHBondContact O-N 2.92Å; R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 3.38Å; R56-A60 VanDerWaalsContact O-N 3.15Å
57	L	98.1	Very high	97.9	Very high	33 Å²	33	45.4 Å²	45.4	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-42	175.7	-74.5	172.9	0	0	0	111.5	V35 L37 T53 L54 Q55 A60 G61 Y62 A64	V35-L57 HydrophobicContact CB-CD1 4.18Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.46Å; L37-L57 HydrophobicContact CD1-CD1 4.06Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; T53-L57 HydrophobicContact CG2-CD1 4.17Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.29Å; L54-L57 PolarHBondContact O-N 3.36Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 3.2Å; L57-A60 CarbonylContact O-C 3.6Å; L57-A60 PolarHBondContact O-N 3.41Å; L57-G61 PolarHBondContact O-N 3.33Å; L57-Y62 HydrophobicContact CB-CD2 4.46Å; L57-Y62 HydrophobicContact CD2-CD2 3.94Å; L57-Y62 HydrophobicContact CD2-CE2 4.45Å; L57-Y62 WeakPolarHBondContact O-CB 3.38Å; L57-Y62 VanDerWaalsContact O-CD2 3.28Å; L57-Y62 WeakPolarHBondContact O-CD2 3.39Å; L57-Y62 PolarHBondContact O-N 3.36Å; L57-A64 HydrophobicContact CB-CB 3.73Å; L57-A64 HydrophobicContact CD1-CB 3.92Å
58	A	97.1	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-43.8	176.1	0	0	0	0	0	113.1	V4 T23 L54 Q55 A60 G61 Y62	V4-A58 HydrophobicContact CB-CB 4.24Å; V4-A58 HydrophobicContact CG1-CB 3.74Å; T23-A58 HydrophobicContact CG2-CB 3.43Å; T23-A58 VanDerWaalsContact CG2-CB 3.43Å; L54-A58 PolarHBondContact O-N 3.15Å; L54-A58 VanDerWaalsContact O-N 3.08Å; Q55-A58 PolarHBondContact O-N 2.9Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; A58-A60 PolarHBondContact O-N 3.3Å; A58-G61 PolarHBondContact O-N 3.14Å; A58-Y62 VanDerWaalsContact CA-O 3.28Å; A58-Y62 WeakPolarHBondContact CA-O 3.44Å
59	E	95.5	Very high	97.9	Very high	82 Å²	82	41 Å²	41	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-27.5	173.5	-71.4	172.3	175.1	0	0	112.2	V4 Q55 G61	V4-E59 HydrophobicContact CG1-CG 3.86Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.38Å; Q55-E59 PolarHBondContact NE2-OE1 2.99Å; Q55-E59 WeakPolarHBondContact O-CG 3.28Å; Q55-E59 PolarHBondContact O-N 3.47Å; E59-G61 VanDerWaalsContact C-N 3.32Å
60	A	96	Very high	97.9	Very high	54 Å²	54	38.4 Å²	38.4	45%	0.446	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.7	174.5	0	0	0	0	0	114.2	R56 L57 A58 Y62	R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 3.38Å; R56-A60 VanDerWaalsContact O-N 3.15Å; L57-A60 CarbonylContact O-C 3.6Å; L57-A60 PolarHBondContact O-N 3.41Å; A58-A60 PolarHBondContact O-N 3.3Å; A60-Y62 HydrophobicContact CB-CD2 3.82Å; A60-Y62 HydrophobicContact CB-CE2 3.69Å
61	G	96.4	Very high	97.9	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	14.8	175.3	0	0	0	0	0	115.5	R32 L57 A58 E59	R32-G61 PolarHBondContact N-O 3.08Å; L57-G61 PolarHBondContact O-N 3.33Å; A58-G61 PolarHBondContact O-N 3.14Å; E59-G61 VanDerWaalsContact C-N 3.32Å
62	Y	97.9	Very high	97.9	Very high	51 Å²	51	31 Å²	31	20%	0.2	17%	0.166	C	C	.	.			trans	-104	145.8	178.5	-50.3	-71.5	0	0	0	112.1	P25 R32 F33 V35 L57 A58 A60 A64	P25-Y62 WeakPolarHBondContact CD-O 3.46Å; R32-Y62 HydrophobicContact CB-CD1 4.17Å; R32-Y62 HydrophobicContact CB-CE1 4.34Å; R32-Y62 PolarHBondContact NH1-OH 3.07Å; F33-Y62 HydrophobicContact CD1-CE1 4.45Å; F33-Y62 AromaticContact CD2-CD1 3.89Å; F33-Y62 HydrophobicContact CD2-CD1 3.89Å; F33-Y62 HydrophobicContact CD2-CE1 4.25Å; F33-Y62 HydrophobicContact CE1-CD1 4.29Å; F33-Y62 AromaticContact CE1-CE1 3.8Å; F33-Y62 HydrophobicContact CE1-CE1 3.8Å; F33-Y62 AromaticContact CE2-CD1 3.59Å; F33-Y62 HydrophobicContact CE2-CD1 3.59Å; F33-Y62 AromaticContact CE2-CE1 3.55Å; F33-Y62 HydrophobicContact CE2-CE1 3.55Å; F33-Y62 HydrophobicContact CG-CD1 4.36Å; F33-Y62 AromaticContact CZ-CD1 3.83Å; F33-Y62 HydrophobicContact CZ-CD1 3.83Å; F33-Y62 AromaticContact CZ-CE1 3.31Å; F33-Y62 HydrophobicContact CZ-CE1 3.31Å; V35-Y62 HydrophobicContact CG2-CG 4.31Å; L57-Y62 HydrophobicContact CB-CD2 4.46Å; L57-Y62 HydrophobicContact CD2-CD2 3.94Å; L57-Y62 HydrophobicContact CD2-CE2 4.45Å; L57-Y62 WeakPolarHBondContact O-CB 3.38Å; L57-Y62 VanDerWaalsContact O-CD2 3.28Å; L57-Y62 WeakPolarHBondContact O-CD2 3.39Å; L57-Y62 PolarHBondContact O-N 3.36Å; A58-Y62 VanDerWaalsContact CA-O 3.28Å; A58-Y62 WeakPolarHBondContact CA-O 3.44Å; A60-Y62 HydrophobicContact CB-CD2 3.82Å; A60-Y62 HydrophobicContact CB-CE2 3.69Å; Y62-A64 PolarHBondContact O-N 3.28Å
63	R	97.9	Very high	97.9	Very high	24 Å²	24	31.4 Å²	31.4	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.1	167.7	173	-179.9	-176.8	-155.5	-6.2	108.3	E22 R24 V31 F33 S34 V35 V65 L100 E101	E22-R63 IonicContact OE1-CZ 3.16Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 2.92Å; E22-R63 IonicContact OE1-NH2 2.78Å; E22-R63 PolarHBondContact OE1-NH2 3.27Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.26Å; V31-R63 HydrophobicContact CG1-CB 3.61Å; F33-R63 PolarHBondContact O-N 3.43Å; F33-R63 VanDerWaalsContact O-N 3.09Å; S34-R63 CarbonylContact C-O 3.54Å; S34-R63 VanDerWaalsContact CA-O 3.28Å; S34-R63 WeakPolarHBondContact CA-O 3.16Å; V35-R63 PolarHBondContact N-O 3.42Å; R63-V65 HydrophobicContact CG-CG2 4.14Å; R63-L100 VanDerWaalsContact CZ-O 3.27Å; R63-L100 PolarHBondContact NH1-O 3.14Å; R63-L100 PolarHBondContact NH2-O 2.93Å; R63-E101 PolarHBondContact NH1-O 3.42Å
64	A	98.6	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.2	-178.4	0	0	0	0	0	110.3	E22 T23 L37 L54 L57 Y62	E22-A64 CarbonylContact C-O 3.58Å; E22-A64 VanDerWaalsContact CA-O 3.31Å; E22-A64 WeakPolarHBondContact CA-O 3.45Å; T23-A64 PolarHBondContact N-O 3.04Å; T23-A64 PolarHBondContact O-N 2.92Å; L37-A64 HydrophobicContact CD1-CB 4.29Å; L54-A64 HydrophobicContact CB-CB 4.34Å; L54-A64 HydrophobicContact CD2-CB 3.84Å; L57-A64 HydrophobicContact CB-CB 3.73Å; L57-A64 HydrophobicContact CD1-CB 3.92Å; Y62-A64 PolarHBondContact O-N 3.28Å
65	V	98.8	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123	178.4	-175.4	0	0	0	0	109.5	F20 R21 E22 V35 L36 L37 R63 I67 L100 L102	F20-V65 HydrophobicContact CB-CG1 4.4Å; F20-V65 HydrophobicContact CD2-CG1 3.99Å; R21-V65 CarbonylContact O-C 3.44Å; R21-V65 WeakPolarHBondContact O-CA 3.39Å; E22-V65 HydrophobicContact CB-CG2 4.25Å; E22-V65 HydrophobicContact CG-CG2 3.98Å; E22-V65 WeakPolarHBondContact OE1-CG2 3.32Å; V35-V65 PolarHBondContact O-N 2.86Å; L36-V65 CarbonylContact C-O 3.56Å; L36-V65 WeakPolarHBondContact CA-O 3.37Å; L37-V65 WeakPolarHBondContact CD1-O 3.5Å; L37-V65 PolarHBondContact N-O 3.44Å; R63-V65 HydrophobicContact CG-CG2 4.14Å; V65-I67 HydrophobicContact CG1-CG2 4.48Å; V65-L100 HydrophobicContact CG1-CD1 3.85Å; V65-L102 HydrophobicContact CB-CD2 4.44Å; V65-L102 HydrophobicContact CG2-CD2 3.83Å
66	A	98.9	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129	171	0	0	0	0	0	109.9	F20 R21 L37 W48 L54	F20-A66 CarbonylContact C-O 3.51Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.48Å; F20-A66 WeakPolarHBondContact CB-O 3.28Å; R21-A66 PolarHBondContact N-O 2.81Å; R21-A66 PolarHBondContact O-N 3.1Å; L37-A66 HydrophobicContact CB-CB 4.06Å; L37-A66 WeakPolarHBondContact O-CA 3.21Å; W48-A66 HydrophobicContact CB-CB 4.37Å; W48-A66 HydrophobicContact CG-CB 4.48Å; L54-A66 HydrophobicContact CD1-CB 4.37Å; L54-A66 HydrophobicContact CD2-CB 3.98Å
67	I	98.8	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.7	175.8	64	162.2	0	0	0	110.4	F19 F20 L36 L37 L38 H39 V65 L69 L93 V96 L100	F19-I67 WeakPolarHBondContact O-CA 3.44Å; F20-I67 HydrophobicContact CB-CG2 3.93Å; L36-I67 HydrophobicContact CD1-CG1 4.43Å; L36-I67 HydrophobicContact CD1-CG2 4.08Å; L37-I67 PolarHBondContact O-N 2.99Å; L38-I67 HydrophobicContact CD2-CD1 3.89Å; L38-I67 HydrophobicContact CD2-CG1 3.84Å; H39-I67 PolarHBondContact CD2-O 3.29Å; H39-I67 VanDerWaalsContact CD2-O 3.27Å; V65-I67 HydrophobicContact CG1-CG2 4.48Å; I67-L69 HydrophobicContact CD1-CD2 4.08Å; I67-L93 HydrophobicContact CD1-CD2 4.44Å; I67-V96 HydrophobicContact CD1-CG1 4.13Å; I67-V96 HydrophobicContact CD1-CG2 4.26Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; I67-L100 HydrophobicContact CG2-CD1 4.14Å
68	D	98.8	Very high	97.7	Very high	2 Å²	2	40 Å²	40	1%	0.011	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-89.8	119.1	163	-73.2	-6	0	0	0	108.8	F19 S44 S45 G73 R74 S75	F19-D68 HydrophobicContact CB-CB 4.33Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.47Å; F19-D68 PolarHBondContact O-N 3.34Å; S44-D68 WeakPolarHBondContact CB-OD1 3.35Å; S45-D68 WeakPolarHBondContact CB-OD1 3.29Å; S45-D68 PolarHBondContact N-OD1 2.96Å; S45-D68 PolarHBondContact OG-OD1 3.25Å; D68-G73 WeakPolarHBondContact OD2-CA 3.48Å; D68-R74 PolarHBondContact OD2-N 3.26Å; D68-S75 WeakPolarHBondContact CB-OG 3.47Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.47Å; D68-S75 PolarHBondContact O-OG 2.76Å
69	L	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.5	154.6	179.4	-70.5	171.5	0	0	0	111.2	L38 H39 I67 G71 L72 F92 Y116	L38-L69 HydrophobicContact CD2-CD2 4.45Å; H39-L69 PolarHBondContact NE2-N 3.12Å; I67-L69 HydrophobicContact CD1-CD2 4.08Å; L69-G71 PolarHBondContact O-N 2.64Å; L69-L72 HydrophobicContact CB-CD1 4.42Å; L69-L72 WeakPolarHBondContact O-CB 3.4Å; L69-L72 PolarHBondContact O-N 3.42Å; L69-F92 HydrophobicContact CD2-CE1 4.47Å; L69-Y116 HydrophobicContact CD1-CD2 4.09Å; L69-Y116 HydrophobicContact CD1-CE2 4.07Å; L69-Y116 HydrophobicContact CD2-CD1 4.44Å; L69-Y116 HydrophobicContact CD2-CD2 4.03Å; L69-Y116 HydrophobicContact CD2-CE2 4.17Å; L69-Y116 HydrophobicContact CD2-CG 4.18Å
70	P	98.5	Very high	97.7	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.039	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	134.8	-178.5	-25.5	32.7	0	0	0	113.1	L18 L72 A78 A80 F92	L18-P70 HydrophobicContact CD2-CG 4.05Å; P70-L72 PolarHBondContact O-N 2.95Å; P70-A78 CarbonylContact C-O 3.48Å; P70-A78 HydrophobicContact CB-CB 4.04Å; P70-A80 HydrophobicContact CB-CB 4.28Å; P70-F92 HydrophobicContact CG-CE1 4.47Å; P70-F92 HydrophobicContact CG-CE2 3.94Å; P70-F92 HydrophobicContact CG-CZ 3.57Å
71	G	97.7	Very high	97.7	Very high	39 Å²	39	41 Å²	41	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-1	179.8	0	0	0	0	0	114.3	L69 S75 A78	L69-G71 PolarHBondContact O-N 2.64Å; G71-S75 PolarHBondContact N-O 3.03Å; G71-A78 WeakPolarHBondContact CA-O 3.26Å; G71-A78 PolarHBondContact N-O 2.96Å
72	L	98.3	Very high	97.8	Very high	39 Å²	39	41.1 Å²	41.1	20%	0.204	23%	0.227	C	C	.	.	S	Bend	trans	-125.8	162	-174.5	-57.9	175.3	0	0	0	111.7	I41 L69 P70 R74 S75 L112	I41-L72 HydrophobicContact CG1-CD1 4.45Å; I41-L72 HydrophobicContact CG1-CD2 4.32Å; L69-L72 HydrophobicContact CB-CD1 4.42Å; L69-L72 WeakPolarHBondContact O-CB 3.4Å; L69-L72 PolarHBondContact O-N 3.42Å; P70-L72 PolarHBondContact O-N 2.95Å; L72-R74 PolarHBondContact O-N 2.72Å; L72-S75 CarbonylContact O-C 3.52Å; L72-S75 WeakPolarHBondContact O-CA 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.28Å; L72-S75 PolarHBondContact O-N 3.42Å; L72-L112 HydrophobicContact CD1-CD2 3.52Å
73	G	97.8	Very high	97.7	Very high	27 Å²	27	42.5 Å²	42.5	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-125.2	178.3	0	0	0	0	0	112.7	D68 K76	D68-G73 WeakPolarHBondContact OD2-CA 3.48Å; G73-K76 WeakPolarHBondContact O-CE 3.49Å; G73-K76 WeakPolarHBondContact O-CG 3.48Å
74	R	98.3	Very high	97.6	Very high	157 Å²	157	47.3 Å²	47.3	59%	0.592	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	1.7	173.6	-61.7	-179.2	79.5	177	5.9	113	E8 F19 D68 L72	E8-R74 IonicContact OE2-NH1 3.42Å; E8-R74 PolarHBondContact OE2-NH1 2.78Å; F19-R74 HydrophobicContact CB-CB 3.64Å; F19-R74 HydrophobicContact CD1-CB 3.84Å; F19-R74 HydrophobicContact CD1-CG 4.21Å; F19-R74 HydrophobicContact CD2-CB 4.06Å; F19-R74 HydrophobicContact CE1-CG 4.48Å; F19-R74 HydrophobicContact CG-CB 3.56Å; F19-R74 HydrophobicContact CG-CG 4.29Å; D68-R74 PolarHBondContact OD2-N 3.26Å; L72-R74 PolarHBondContact O-N 2.72Å
75	S	97.9	Very high	97.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	28%	0.279	C	S	.	.			trans	-96.9	30.6	173.6	-58.5	0	0	0	0	112.6	L18 F19 D68 G71 L72 E77 A78	L18-S75 WeakPolarHBondContact CA-OG 3.26Å; F19-S75 PolarHBondContact N-OG 2.94Å; D68-S75 WeakPolarHBondContact CB-OG 3.47Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.47Å; D68-S75 PolarHBondContact O-OG 2.76Å; G71-S75 PolarHBondContact N-O 3.03Å; L72-S75 CarbonylContact O-C 3.52Å; L72-S75 WeakPolarHBondContact O-CA 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.28Å; L72-S75 PolarHBondContact O-N 3.42Å; S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 PolarHBondContact O-N 3.1Å; S75-A78 WeakPolarHBondContact O-CB 3.34Å; S75-A78 PolarHBondContact O-N 3.42Å; S75-A78 VanDerWaalsContact O-N 3.11Å
76	K	95.7	Very high	97.3	Very high	149 Å²	149	53.5 Å²	53.5	65%	0.648	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.1	-172.2	-63.2	-173.9	179.7	179.9	0	114.3	G73 A78	G73-K76 WeakPolarHBondContact O-CE 3.49Å; G73-K76 WeakPolarHBondContact O-CG 3.48Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.41Å
77	E	96.6	Very high	97.2	Very high	190 Å²	190	55.9 Å²	55.9	89%	0.888	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	-179.4	-56.8	-56.3	136	0	0	112.8	S75	S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 PolarHBondContact O-N 3.1Å
78	A	97.4	Very high	97.2	Very high	5 Å²	5	56 Å²	56	4%	0.041	32%	0.32	C	S	.	.	S	Bend	trans	-80.8	127.2	176.3	0	0	0	0	0	110.4	Q16 L18 P70 G71 S75 K76	Q16-A78 HydrophobicContact CB-CB 4.18Å; L18-A78 HydrophobicContact CD2-CB 3.78Å; P70-A78 CarbonylContact C-O 3.48Å; P70-A78 HydrophobicContact CB-CB 4.04Å; G71-A78 WeakPolarHBondContact CA-O 3.26Å; G71-A78 PolarHBondContact N-O 2.96Å; S75-A78 WeakPolarHBondContact O-CB 3.34Å; S75-A78 PolarHBondContact O-N 3.42Å; S75-A78 VanDerWaalsContact O-N 3.11Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.41Å
79	A	97.5	Very high	97.1	Very high	63 Å²	63	58.8 Å²	58.8	52%	0.521	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-74.7	133.8	172	0	0	0	0	0	111.1	Q16	Q16-A79 PolarHBondContact NE2-O 2.7Å; Q16-A79 PolarHBondContact OE1-O 3.06Å
80	A	96.2	Very high	96.9	Very high	51 Å²	51	59.5 Å²	59.5	42%	0.421	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-64.4	137.4	172.9	0	0	0	0	0	110.8	P70 A82	P70-A80 HydrophobicContact CB-CB 4.28Å; A80-A82 PolarHBondContact O-N 3.18Å
81	P	95.9	Very high	96.8	Very high	45 Å²	45	62.5 Å²	62.5	29%	0.292	37%	0.366	S	S	.	.	S	Bend	trans	-73.9	-8.6	-179.1	33.1	-38.5	0	0	0	113.2	A88 F92 Y116	P81-A88 HydrophobicContact CG-CB 3.86Å; P81-F92 HydrophobicContact CG-CD2 4.14Å; P81-F92 HydrophobicContact CG-CG 4.26Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.77Å
82	A	97.1	Very high	96.8	Very high	13 Å²	13	60.8 Å²	60.8	11%	0.107	35%	0.348	C	S	.	.	S	Bend	trans	-151.1	154.6	173.6	0	0	0	0	0	110.7	A80 E86 A88 M115	A80-A82 PolarHBondContact O-N 3.18Å; A82-E86 HydrophobicContact CB-CB 4.46Å; A82-A88 HydrophobicContact CB-CB 4.26Å; A82-M115 HydrophobicContact CB-CE 4.3Å
83	P	97.1	Very high	96.8	Very high	80 Å²	80	59 Å²	59	52%	0.519	34%	0.338	S	S	.	.			trans	-60.6	153.3	171	-21.3	33.2	0	0	0	112.7	G85 E86 M115	P83-G85 PolarHBondContact O-N 3.25Å; P83-E86 PolarHBondContact O-N 2.84Å; P83-M115 WeakPolarHBondContact O-CE 3.25Å
84	I	96.1	Very high	96.8	Very high	124 Å²	124	59.1 Å²	59.1	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	128.5	175.9	-64.7	173.3	0	0	0	109.7	I41 L112	I41-I84 HydrophobicContact CD1-CD1 3.77Å; I84-L112 HydrophobicContact CG1-CD1 4.33Å; I84-L112 HydrophobicContact CG2-CD1 3.96Å
85	G	92.9	Very high	96.7	Very high	24 Å²	24	52.8 Å²	52.8	25%	0.247	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-4.2	-178.8	0	0	0	0	0	113.8	P83 C138 K141	P83-G85 PolarHBondContact O-N 3.25Å; G85-C138 PolarHBondContact O-SG 2.92Å; G85-C138 VanDerWaalsContact O-SG 3.4Å; G85-K141 WeakPolarHBondContact O-CE 3.13Å; G85-K141 PolarHBondContact O-NZ 3.28Å
86	E	97.6	Very high	96.7	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	32%	0.317	S	S	.	.	S	Bend	trans	-106.8	143.8	171.2	-66.5	-174.2	-173	0	0	111.2	A82 P83 A88 M115	A82-E86 HydrophobicContact CB-CB 4.46Å; P83-E86 PolarHBondContact O-N 2.84Å; E86-A88 PolarHBondContact O-N 3.44Å; E86-M115 VanDerWaalsContact O-CE 3.26Å; E86-M115 WeakPolarHBondContact O-CE 3.38Å
87	P	97.3	Very high	96.8	Very high	51 Å²	51	46.1 Å²	46.1	33%	0.331	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.7	124.6	176.8	-19.8	32.1	0	0	0	111.4	P119 K141	P87-P119 HydrophobicContact CB-CG 3.67Å; P87-K141 HydrophobicContact CG-CB 3.83Å; P87-K141 HydrophobicContact CG-CD 4.31Å
88	A	97.5	Very high	96.8	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.5	155.5	169.8	0	0	0	0	0	110.5	P81 A82 E86 G90 M115 Y116 P119	P81-A88 HydrophobicContact CG-CB 3.86Å; A82-A88 HydrophobicContact CB-CB 4.26Å; E86-A88 PolarHBondContact O-N 3.44Å; A88-G90 PolarHBondContact O-N 2.79Å; A88-M115 WeakPolarHBondContact CB-O 3.11Å; A88-M115 PolarHBondContact N-O 3.36Å; A88-Y116 HydrophobicContact CB-CD1 3.64Å; A88-Y116 HydrophobicContact CB-CE1 3.92Å; A88-Y116 HydrophobicContact CB-CG 4.24Å; A88-P119 WeakPolarHBondContact O-CB 3.09Å; A88-P119 VanDerWaalsContact O-CG 3.22Å; A88-P119 WeakPolarHBondContact O-CG 3.26Å
89	P	96.7	Very high	96.9	Very high	60 Å²	60	45.4 Å²	45.4	39%	0.39	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-56.6	125.3	172.3	-23.3	34	0	0	0	111	S91 F92	P89-S91 PolarHBondContact O-N 2.76Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.37Å; P89-F92 PolarHBondContact O-N 3.44Å
90	G	95.5	Very high	96.8	Very high	14 Å²	14	42.9 Å²	42.9	14%	0.144	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24	178.2	0	0	0	0	0	113.5	A88 F92 L93 A94	A88-G90 PolarHBondContact O-N 2.79Å; G90-F92 PolarHBondContact O-N 2.83Å; G90-L93 PolarHBondContact O-N 2.85Å; G90-A94 PolarHBondContact O-N 2.92Å
91	S	96.3	Very high	96.9	Very high	69 Å²	69	48.4 Å²	48.4	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-19.1	172.6	59.3	0	0	0	0	113.9	Q14 P89 A95	Q14-S91 PolarHBondContact NE2-O 3.19Å; P89-S91 PolarHBondContact O-N 2.76Å; S91-A95 WeakPolarHBondContact O-CB 3.31Å; S91-A95 PolarHBondContact O-N 3.47Å
92	F	97.6	Very high	96.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-54.1	175.7	176	-97	0	0	0	111.5	V13 L18 L69 P70 P81 P89 G90 A94 A95 V96 Y116	V13-F92 HydrophobicContact CG1-CD2 4.21Å; V13-F92 HydrophobicContact CG1-CE2 4.06Å; L18-F92 HydrophobicContact CD1-CE2 4.1Å; L18-F92 HydrophobicContact CD1-CZ 3.63Å; L69-F92 HydrophobicContact CD2-CE1 4.47Å; P70-F92 HydrophobicContact CG-CE1 4.47Å; P70-F92 HydrophobicContact CG-CE2 3.94Å; P70-F92 HydrophobicContact CG-CZ 3.57Å; P81-F92 HydrophobicContact CG-CD2 4.14Å; P81-F92 HydrophobicContact CG-CG 4.26Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.37Å; P89-F92 PolarHBondContact O-N 3.44Å; G90-F92 PolarHBondContact O-N 2.83Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A95 PolarHBondContact O-N 2.88Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.39Å; F92-V96 WeakPolarHBondContact O-CG2 3.37Å; F92-V96 PolarHBondContact O-N 3.14Å; F92-V96 VanDerWaalsContact O-N 3.07Å; F92-Y116 AromaticContact CD1-CD1 3.53Å; F92-Y116 HydrophobicContact CD1-CD1 3.53Å; F92-Y116 HydrophobicContact CD1-CE1 4.02Å; F92-Y116 AromaticContact CE1-CD1 3.71Å; F92-Y116 HydrophobicContact CE1-CD1 3.71Å; F92-Y116 AromaticContact CE1-CE1 3.91Å; F92-Y116 HydrophobicContact CE1-CE1 3.91Å; F92-Y116 HydrophobicContact CG-CD1 4.35Å; F92-Y116 HydrophobicContact CZ-CE1 4.46Å
93	L	97.6	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.5	-29	178.5	-71.1	-175	0	0	0	112.3	L38 I67 G90 A95 V96 V97 Y116 F120	L38-L93 HydrophobicContact CD1-CD1 3.88Å; L38-L93 HydrophobicContact CD2-CD2 4.13Å; I67-L93 HydrophobicContact CD1-CD2 4.44Å; G90-L93 PolarHBondContact O-N 2.85Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.21Å; L93-V96 HydrophobicContact CD2-CG2 4.31Å; L93-V96 WeakPolarHBondContact O-CB 3.4Å; L93-V96 PolarHBondContact O-N 3.25Å; L93-V97 WeakPolarHBondContact O-CB 3.38Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.22Å; L93-V97 PolarHBondContact O-N 3.03Å; L93-Y116 WeakPolarHBondContact CD1-O 3.5Å; L93-F120 HydrophobicContact CB-CB 3.87Å; L93-F120 HydrophobicContact CB-CD1 3.71Å; L93-F120 HydrophobicContact CB-CD2 4.16Å; L93-F120 HydrophobicContact CB-CE1 4.25Å; L93-F120 HydrophobicContact CB-CG 3.65Å; L93-F120 HydrophobicContact CD1-CB 4Å; L93-F120 HydrophobicContact CD1-CD1 4Å; L93-F120 HydrophobicContact CD1-CG 4.29Å; L93-F120 HydrophobicContact CG-CB 4.44Å
94	A	97.3	Very high	96.9	Very high	31 Å²	31	46.4 Å²	46.4	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-48.7	169	0	0	0	0	0	110.8	G90 F92 V96 V97 D98 F120	G90-A94 PolarHBondContact O-N 2.92Å; F92-A94 VanDerWaalsContact C-N 3.34Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.37Å; A94-V97 PolarHBondContact O-N 2.99Å; A94-V97 VanDerWaalsContact O-N 3.15Å; A94-D98 VanDerWaalsContact O-CG 3.3Å; A94-D98 PolarHBondContact O-N 3.36Å; A94-F120 HydrophobicContact CB-CD2 4.23Å; A94-F120 HydrophobicContact CB-CE2 3.9Å
95	A	97.3	Very high	97	Very high	24 Å²	24	40.5 Å²	40.5	20%	0.198	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-35.2	177.4	0	0	0	0	0	113.2	V13 Q14 S91 F92 L93 T99	V13-A95 HydrophobicContact CG1-CB 3.93Å; Q14-A95 HydrophobicContact CG-CB 4.28Å; S91-A95 WeakPolarHBondContact O-CB 3.31Å; S91-A95 PolarHBondContact O-N 3.47Å; F92-A95 PolarHBondContact O-N 2.88Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.21Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.48Å; A95-T99 PolarHBondContact O-N 3.5Å; A95-T99 PolarHBondContact O-OG1 3.37Å
96	V	98.1	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-49.9	171.7	170.8	0	0	0	0	110.8	I11 V13 L18 L36 I67 F92 L93 A94 D98 T99 L100	I11-V96 HydrophobicContact CD1-CG1 4.46Å; V13-V96 HydrophobicContact CG1-CG2 3.98Å; V13-V96 HydrophobicContact CG2-CG2 4Å; L18-V96 HydrophobicContact CD1-CG2 4.2Å; L36-V96 HydrophobicContact CD1-CG1 4.47Å; L36-V96 HydrophobicContact CD2-CG1 4.34Å; I67-V96 HydrophobicContact CD1-CG1 4.13Å; I67-V96 HydrophobicContact CD1-CG2 4.26Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.39Å; F92-V96 WeakPolarHBondContact O-CG2 3.37Å; F92-V96 PolarHBondContact O-N 3.14Å; F92-V96 VanDerWaalsContact O-N 3.07Å; L93-V96 HydrophobicContact CD2-CG2 4.31Å; L93-V96 WeakPolarHBondContact O-CB 3.4Å; L93-V96 PolarHBondContact O-N 3.25Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.37Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.07Å; V96-T99 PolarHBondContact O-N 3.07Å; V96-L100 HydrophobicContact CG1-CD1 3.81Å; V96-L100 WeakPolarHBondContact O-CB 3.23Å; V96-L100 PolarHBondContact O-N 2.67Å
97	V	97.8	Very high	97.3	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-43.7	-179	165	0	0	0	0	111.1	L36 L93 A94 E101 L102 G103 P105 F120	L36-V97 HydrophobicContact CD2-CG2 4.17Å; L93-V97 WeakPolarHBondContact O-CB 3.38Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.22Å; L93-V97 PolarHBondContact O-N 3.03Å; A94-V97 PolarHBondContact O-N 2.99Å; A94-V97 VanDerWaalsContact O-N 3.15Å; V97-E101 PolarHBondContact O-N 2.9Å; V97-E101 VanDerWaalsContact O-N 3.1Å; V97-L102 HydrophobicContact CG1-CB 4.24Å; V97-L102 HydrophobicContact CG2-CD1 4.33Å; V97-L102 PolarHBondContact O-N 2.69Å; V97-G103 WeakPolarHBondContact CG1-O 3.27Å; V97-P105 HydrophobicContact CG1-CG 4.2Å; V97-P105 HydrophobicContact CG2-CG 3.76Å; V97-F120 HydrophobicContact CG2-CE1 4.17Å; V97-F120 HydrophobicContact CG2-CZ 4Å
98	D	97	Very high	97.4	Very high	116 Å²	116	34.2 Å²	34.2	62%	0.62	21%	0.213	S	C	*	.	H	α-helix	trans	-67	-48	178.3	-68.5	-18.8	0	0	0	111.4	A94 V96 L100 E101	A94-D98 VanDerWaalsContact O-CG 3.3Å; A94-D98 PolarHBondContact O-N 3.36Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.07Å; D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 3.28Å; D98-E101 PolarHBondContact O-N 2.98Å
99	T	97.8	Very high	97.5	Very high	65 Å²	65	34.1 Å²	34.1	40%	0.399	21%	0.212	S	C	.	.	H	α-helix	trans	-64.1	-32.3	-177.9	-55.9	0	0	0	0	112.3	I11 A95 V96 E101	I11-T99 HydrophobicContact CB-CG2 3.86Å; I11-T99 HydrophobicContact CG2-CG2 4.14Å; A95-T99 VanDerWaalsContact O-CB 3.24Å; A95-T99 WeakPolarHBondContact O-CB 3.48Å; A95-T99 PolarHBondContact O-N 3.5Å; A95-T99 PolarHBondContact O-OG1 3.37Å; V96-T99 PolarHBondContact O-N 3.07Å; T99-E101 VanDerWaalsContact C-N 3.35Å
100	L	97.2	Very high	97.6	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.052	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.8	176.1	-73.4	166.4	0	0	0	113.2	I11 F20 R63 V65 I67 V96 D98 L102	I11-L100 HydrophobicContact CD1-CD1 3.77Å; I11-L100 HydrophobicContact CD1-CD2 4.06Å; I11-L100 HydrophobicContact CD1-CG 3.66Å; I11-L100 HydrophobicContact CG2-CD2 3.63Å; I11-L100 HydrophobicContact CG2-CG 4.2Å; F20-L100 HydrophobicContact CD1-CD2 4.22Å; F20-L100 HydrophobicContact CD2-CD2 4.1Å; F20-L100 HydrophobicContact CE1-CD2 4.14Å; F20-L100 HydrophobicContact CE2-CD2 4Å; F20-L100 HydrophobicContact CG-CD2 4.19Å; F20-L100 HydrophobicContact CZ-CD2 4Å; R63-L100 VanDerWaalsContact CZ-O 3.27Å; R63-L100 PolarHBondContact NH1-O 3.14Å; R63-L100 PolarHBondContact NH2-O 2.93Å; V65-L100 HydrophobicContact CG1-CD1 3.85Å; I67-L100 HydrophobicContact CG2-CD1 4.14Å; V96-L100 HydrophobicContact CG1-CD1 3.81Å; V96-L100 WeakPolarHBondContact O-CB 3.23Å; V96-L100 PolarHBondContact O-N 2.67Å; D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 3.28Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 HydrophobicContact CB-CD1 4.2Å; L100-L102 HydrophobicContact CB-CD2 3.64Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.23Å; L100-L102 PolarHBondContact O-N 3.4Å
101	E	97.1	Very high	97.7	Very high	167 Å²	167	34 Å²	34	78%	0.78	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	46.8	-177.5	-57.3	178.4	174	0	0	112	R63 V97 D98 T99 G103	R63-E101 PolarHBondContact NH1-O 3.42Å; V97-E101 PolarHBondContact O-N 2.9Å; V97-E101 VanDerWaalsContact O-N 3.1Å; D98-E101 PolarHBondContact O-N 2.98Å; T99-E101 VanDerWaalsContact C-N 3.35Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.98Å
102	L	96.9	Very high	97.8	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.042	19%	0.19	C	C	.	.			trans	-76.6	-16.9	-173.7	-58.6	-175.7	0	0	0	113.1	S34 L36 V65 V97 L100 P105	S34-L102 VanDerWaalsContact CB-O 3.3Å; S34-L102 WeakPolarHBondContact CB-O 3.37Å; S34-L102 PolarHBondContact OG-O 3.27Å; L36-L102 HydrophobicContact CB-CD1 4.16Å; L36-L102 HydrophobicContact CD1-CD1 4.23Å; L36-L102 HydrophobicContact CD2-CD1 4.45Å; V65-L102 HydrophobicContact CB-CD2 4.44Å; V65-L102 HydrophobicContact CG2-CD2 3.83Å; V97-L102 HydrophobicContact CG1-CB 4.24Å; V97-L102 HydrophobicContact CG2-CD1 4.33Å; V97-L102 PolarHBondContact O-N 2.69Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 HydrophobicContact CB-CD1 4.2Å; L100-L102 HydrophobicContact CB-CD2 3.64Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.23Å; L100-L102 PolarHBondContact O-N 3.4Å; L102-P105 HydrophobicContact CB-CB 4.39Å
103	G	96.4	Very high	97.9	Very high	41 Å²	41	31.1 Å²	31.1	42%	0.423	19%	0.189	S	C	.	.			trans	58.5	-160.5	-162.9	0	0	0	0	0	111	V97 E101 P105	V97-G103 WeakPolarHBondContact CG1-O 3.27Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.98Å; G103-P105 WeakPolarHBondContact O-CD 3.24Å; G103-P105 VanDerWaalsContact O-N 3.07Å
104	P	97	Very high	97.9	Very high	46 Å²	46	31.1 Å²	31.1	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-63.7	101.3	174.7	-28.5	38.9	0	0	0	112.7	Q127 R129	P104-Q127 WeakPolarHBondContact CA-O 3.27Å; P104-Q127 HydrophobicContact CB-CB 4.32Å; P104-Q127 WeakPolarHBondContact CB-O 3.43Å; P104-Q127 HydrophobicContact CG-CB 4.13Å; P104-R129 HydrophobicContact CB-CB 4.43Å; P104-R129 WeakPolarHBondContact O-CB 3.42Å; P104-R129 PolarHBondContact O-NH1 2.73Å
105	P	98.4	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	18%	0.178	C	C	.	.			trans	-92.6	162.9	-172.3	29.4	-15.6	0	0	0	111.4	S34 L36 V97 L102 G103 V107 L128 R129	S34-P105 VanDerWaalsContact O-CA 3.29Å; S34-P105 WeakPolarHBondContact O-CA 3.46Å; L36-P105 HydrophobicContact CB-CB 4.48Å; V97-P105 HydrophobicContact CG1-CG 4.2Å; V97-P105 HydrophobicContact CG2-CG 3.76Å; L102-P105 HydrophobicContact CB-CB 4.39Å; G103-P105 WeakPolarHBondContact O-CD 3.24Å; G103-P105 VanDerWaalsContact O-N 3.07Å; P105-V107 HydrophobicContact CG-CG2 4.45Å; P105-L128 HydrophobicContact CG-CD2 4.24Å; P105-R129 PolarHBondContact O-N 3.28Å
106	V	98.8	Very high	98	Very high	22 Å²	22	29 Å²	29	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.7	155.5	174.3	0	0	0	0	108.1	F33 S34 V35 L36 R129 G130 V132	F33-V106 HydrophobicContact CD2-CG2 4.13Å; F33-V106 HydrophobicContact CE2-CG2 3.65Å; F33-V106 HydrophobicContact CZ-CG2 4.43Å; S34-V106 PolarHBondContact O-N 2.82Å; V35-V106 CarbonylContact C-O 3.53Å; V35-V106 WeakPolarHBondContact CA-O 3.42Å; V35-V106 HydrophobicContact CG1-CB 4.46Å; V35-V106 HydrophobicContact CG2-CB 4.35Å; L36-V106 PolarHBondContact N-O 3.14Å; V106-R129 HydrophobicContact CG2-CB 4.32Å; V106-R129 HydrophobicContact CG2-CG 4.29Å; V106-G130 VanDerWaalsContact CA-O 3.31Å; V106-G130 WeakPolarHBondContact CA-O 3.32Å; V106-V132 HydrophobicContact CG1-CG2 4.13Å
107	V	98.9	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.4	176.8	173.1	0	0	0	0	110.7	L36 L38 P105 F120 L128 G130 F131 V132	L36-V107 HydrophobicContact CB-CG2 4.24Å; L36-V107 HydrophobicContact CD2-CG2 4.29Å; L36-V107 WeakPolarHBondContact O-CA 3.26Å; L38-V107 HydrophobicContact CD1-CG1 4Å; L38-V107 HydrophobicContact CG-CG1 4.35Å; P105-V107 HydrophobicContact CG-CG2 4.45Å; V107-F120 HydrophobicContact CG2-CE1 4.3Å; V107-L128 HydrophobicContact CB-CD2 4.23Å; V107-L128 HydrophobicContact CG2-CD2 3.43Å; V107-L128 VanDerWaalsContact CG2-CD2 3.43Å; V107-G130 PolarHBondContact N-O 2.91Å; V107-F131 HydrophobicContact CB-CD2 4.23Å; V107-F131 HydrophobicContact CG1-CD2 4.31Å; V107-F131 HydrophobicContact CG1-CE2 4.31Å; V107-V132 PolarHBondContact O-N 3.05Å
108	I	98.9	Very high	98	Very high	26 Å²	26	29.1 Å²	29.1	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.5	171.3	-54.2	-174.3	0	0	0	108.3	V35 L36 L37 L38 W48 V132	V35-I108 HydrophobicContact CG1-CD1 3.83Å; V35-I108 HydrophobicContact CG1-CG1 3.97Å; L36-I108 PolarHBondContact O-N 2.95Å; L37-I108 HydrophobicContact CD2-CD1 4.2Å; L37-I108 HydrophobicContact CG-CD1 4.17Å; L38-I108 WeakPolarHBondContact CB-O 3.17Å; L38-I108 PolarHBondContact N-O 3.18Å; W48-I108 HydrophobicContact CH2-CG2 4.21Å; W48-I108 HydrophobicContact CZ2-CG2 4.21Å; I108-V132 WeakPolarHBondContact CA-O 3.28Å; I108-V132 HydrophobicContact CG1-CB 4.17Å; I108-V132 HydrophobicContact CG1-CG2 4.46Å
109	S	98.8	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	93.6	-171	-174.6	0	0	0	0	112.9	S113 G114 S117 V132 V134	S109-S113 VanDerWaalsContact C-OG 3.24Å; S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.5Å; S109-S113 VanDerWaalsContact OG-C 3.3Å; S109-S113 PolarHBondContact OG-O 2.88Å; S109-S113 PolarHBondContact OG-OG 2.83Å; S109-G114 PolarHBondContact OG-N 2.95Å; S109-S117 VanDerWaalsContact CB-OG 3.28Å; S109-S117 WeakPolarHBondContact CB-OG 3.42Å; S109-S117 VanDerWaalsContact OG-CB 3.26Å; S109-S117 WeakPolarHBondContact OG-CB 3.25Å; S109-S117 PolarHBondContact OG-OG 3.41Å; S109-V132 PolarHBondContact N-O 3.48Å; S109-V134 PolarHBondContact O-N 3.13Å
110	P	98.7	Very high	98.1	Very high	21 Å²	21	21.9 Å²	21.9	14%	0.136	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.4	171.7	33.3	-34	0	0	0	113.3	L38 W48 L112 S113 V134	L38-P110 WeakPolarHBondContact O-CD 3.45Å; W48-P110 HydrophobicContact CZ2-CG 4.2Å; P110-L112 PolarHBondContact O-N 3.27Å; P110-S113 WeakPolarHBondContact CD-OG 3.36Å; P110-S113 VanDerWaalsContact N-OG 3.1Å; P110-S113 PolarHBondContact O-N 2.74Å; P110-S113 PolarHBondContact O-OG 3.41Å; P110-V134 CarbonylContact C-O 3.51Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.45Å; P110-V134 HydrophobicContact CB-CB 4Å
111	S	98.2	Very high	98.1	Very high	52 Å²	52	24.4 Å²	24.4	36%	0.364	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	49	-119.2	164	-173.7	0	0	0	0	114.3	S113 G114 V134 A135 P136 I137	S111-S113 PolarHBondContact O-N 2.61Å; S111-G114 PolarHBondContact O-N 3.01Å; S111-V134 PolarHBondContact N-O 3.47Å; S111-A135 VanDerWaalsContact CA-O 3.26Å; S111-A135 WeakPolarHBondContact CA-O 3.48Å; S111-A135 PolarHBondContact N-O 2.9Å; S111-P136 WeakPolarHBondContact O-CA 3.46Å; S111-I137 PolarHBondContact O-N 2.83Å
112	L	98.4	Very high	98.1	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.063	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-45.7	-41.3	-178.2	179.7	72.7	0	0	0	112.8	I41 L72 I84 P110 G114 M115 I137	I41-L112 HydrophobicContact CB-CB 4.18Å; I41-L112 HydrophobicContact CB-CD2 3.77Å; I41-L112 HydrophobicContact CB-CG 4.4Å; I41-L112 HydrophobicContact CD1-CD2 4.49Å; I41-L112 HydrophobicContact CG1-CD2 4Å; L72-L112 HydrophobicContact CD1-CD2 3.52Å; I84-L112 HydrophobicContact CG1-CD1 4.33Å; I84-L112 HydrophobicContact CG2-CD1 3.96Å; P110-L112 PolarHBondContact O-N 3.27Å; L112-G114 PolarHBondContact O-N 3.3Å; L112-M115 HydrophobicContact CD1-SD 3.72Å; L112-M115 HydrophobicContact CG-SD 4.23Å; L112-M115 VanDerWaalsContact O-CG 3.3Å; L112-M115 WeakPolarHBondContact O-CG 3.41Å; L112-M115 PolarHBondContact O-N 3.14Å; L112-M115 VanDerWaalsContact O-N 3.14Å; L112-I137 HydrophobicContact CD1-CD1 3.92Å
113	S	98.6	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-60.7	-14.3	-175.4	64.2	0	0	0	0	114.6	H39 S109 P110 S111 M115 Y116 S117	H39-S113 WeakPolarHBondContact O-CB 3.3Å; S109-S113 VanDerWaalsContact C-OG 3.24Å; S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.5Å; S109-S113 VanDerWaalsContact OG-C 3.3Å; S109-S113 PolarHBondContact OG-O 2.88Å; S109-S113 PolarHBondContact OG-OG 2.83Å; P110-S113 WeakPolarHBondContact CD-OG 3.36Å; P110-S113 VanDerWaalsContact N-OG 3.1Å; P110-S113 PolarHBondContact O-N 2.74Å; P110-S113 PolarHBondContact O-OG 3.41Å; S111-S113 PolarHBondContact O-N 2.61Å; S113-M115 PolarHBondContact O-N 2.8Å; S113-Y116 PolarHBondContact O-N 3.01Å; S113-S117 PolarHBondContact O-N 3.2Å; S113-S117 PolarHBondContact O-OG 3.38Å
114	G	98.4	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-52.3	-37.6	171.6	0	0	0	0	0	113.7	S109 S111 L112 Y116 S117 L118 I137	S109-G114 PolarHBondContact OG-N 2.95Å; S111-G114 PolarHBondContact O-N 3.01Å; L112-G114 PolarHBondContact O-N 3.3Å; G114-Y116 PolarHBondContact O-N 3.01Å; G114-Y116 VanDerWaalsContact O-N 3.14Å; G114-S117 WeakPolarHBondContact CA-OG 3.44Å; G114-S117 PolarHBondContact O-N 3.34Å; G114-L118 WeakPolarHBondContact O-CB 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.44Å; G114-L118 PolarHBondContact O-N 2.6Å; G114-I137 CarbonylContact C-O 3.54Å; G114-I137 WeakPolarHBondContact CA-O 3.2Å
115	M	98.4	Very high	97.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-20.9	177.8	75.5	-172.7	-75.4	0	0	113.3	A82 P83 E86 A88 L112 S113 P119 I137	A82-M115 HydrophobicContact CB-CE 4.3Å; P83-M115 WeakPolarHBondContact O-CE 3.25Å; E86-M115 VanDerWaalsContact O-CE 3.26Å; E86-M115 WeakPolarHBondContact O-CE 3.38Å; A88-M115 WeakPolarHBondContact CB-O 3.11Å; A88-M115 PolarHBondContact N-O 3.36Å; L112-M115 HydrophobicContact CD1-SD 3.72Å; L112-M115 HydrophobicContact CG-SD 4.23Å; L112-M115 VanDerWaalsContact O-CG 3.3Å; L112-M115 WeakPolarHBondContact O-CG 3.41Å; L112-M115 PolarHBondContact O-N 3.14Å; L112-M115 VanDerWaalsContact O-N 3.14Å; S113-M115 PolarHBondContact O-N 2.8Å; M115-P119 WeakPolarHBondContact O-CG 3.42Å; M115-I137 HydrophobicContact CB-CD1 4.25Å; M115-I137 HydrophobicContact CB-CG1 4.41Å; M115-I137 HydrophobicContact SD-CD1 4.46Å
116	Y	98.4	Very high	96.6	Very high	8 Å²	8	29.5 Å²	29.5	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-99.8	-42.7	177	-62.5	-90.4	0	0	0	112	L69 P81 A88 F92 L93 S113 G114	L69-Y116 HydrophobicContact CD1-CD2 4.09Å; L69-Y116 HydrophobicContact CD1-CE2 4.07Å; L69-Y116 HydrophobicContact CD2-CD1 4.44Å; L69-Y116 HydrophobicContact CD2-CD2 4.03Å; L69-Y116 HydrophobicContact CD2-CE2 4.17Å; L69-Y116 HydrophobicContact CD2-CG 4.18Å; P81-Y116 HydrophobicContact CG-CD1 4.47Å; P81-Y116 HydrophobicContact CG-CE1 3.77Å; A88-Y116 HydrophobicContact CB-CD1 3.64Å; A88-Y116 HydrophobicContact CB-CE1 3.92Å; A88-Y116 HydrophobicContact CB-CG 4.24Å; F92-Y116 AromaticContact CD1-CD1 3.53Å; F92-Y116 HydrophobicContact CD1-CD1 3.53Å; F92-Y116 HydrophobicContact CD1-CE1 4.02Å; F92-Y116 AromaticContact CE1-CD1 3.71Å; F92-Y116 HydrophobicContact CE1-CD1 3.71Å; F92-Y116 AromaticContact CE1-CE1 3.91Å; F92-Y116 HydrophobicContact CE1-CE1 3.91Å; F92-Y116 HydrophobicContact CG-CD1 4.35Å; F92-Y116 HydrophobicContact CZ-CE1 4.46Å; L93-Y116 WeakPolarHBondContact CD1-O 3.5Å; S113-Y116 PolarHBondContact O-N 3.01Å; G114-Y116 PolarHBondContact O-N 3.01Å; G114-Y116 VanDerWaalsContact O-N 3.14Å
117	S	98.4	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-76.8	-36.4	-171.2	67.3	0	0	0	0	113.5	S109 S113 G114 F120 L121	S109-S117 VanDerWaalsContact CB-OG 3.28Å; S109-S117 WeakPolarHBondContact CB-OG 3.42Å; S109-S117 VanDerWaalsContact OG-CB 3.26Å; S109-S117 WeakPolarHBondContact OG-CB 3.25Å; S109-S117 PolarHBondContact OG-OG 3.41Å; S113-S117 PolarHBondContact O-N 3.2Å; S113-S117 PolarHBondContact O-OG 3.38Å; G114-S117 WeakPolarHBondContact CA-OG 3.44Å; G114-S117 PolarHBondContact O-N 3.34Å; S117-F120 PolarHBondContact O-N 3.05Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.27Å
118	L	98.4	Very high	95.7	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-44.9	-177.9	-58.3	166.5	0	0	0	112.2	G114 F120 L121 V122 F131 I137 T139 I142	G114-L118 WeakPolarHBondContact O-CB 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.44Å; G114-L118 PolarHBondContact O-N 2.6Å; L118-F120 PolarHBondContact O-N 3.26Å; L118-L121 HydrophobicContact CD2-CD2 4.41Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-L121 VanDerWaalsContact O-N 3.11Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.8Å; L118-V122 VanDerWaalsContact O-N 3.12Å; L118-F131 HydrophobicContact CD2-CE1 4.02Å; L118-F131 HydrophobicContact CD2-CZ 3.95Å; L118-I137 WeakPolarHBondContact CD1-O 3.45Å; L118-T139 HydrophobicContact CD1-CG2 3.9Å; L118-I142 HydrophobicContact CB-CD1 3.77Å; L118-I142 HydrophobicContact CB-CG1 3.61Å; L118-I142 HydrophobicContact CD1-CG1 4.14Å; L118-I142 HydrophobicContact CG-CG1 4.49Å
119	P	97.8	Very high	95.7	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.104	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-35.3	173	-28.6	39.6	0	0	0	113.1	P87 A88 M115 A123 I142	P87-P119 HydrophobicContact CB-CG 3.67Å; A88-P119 WeakPolarHBondContact O-CB 3.09Å; A88-P119 VanDerWaalsContact O-CG 3.22Å; A88-P119 WeakPolarHBondContact O-CG 3.26Å; M115-P119 WeakPolarHBondContact O-CG 3.42Å; P119-A123 WeakPolarHBondContact O-CB 3.27Å; P119-A123 PolarHBondContact O-N 2.84Å; P119-A123 VanDerWaalsContact O-N 3.15Å; P119-I142 HydrophobicContact CG-CD1 3.82Å
120	F	97.6	Very high	95.6	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-37.7	175	177.6	-128.9	0	0	0	112.5	L93 A94 V97 V107 S117 L118 A123 S126 L128	L93-F120 HydrophobicContact CB-CB 3.87Å; L93-F120 HydrophobicContact CB-CD1 3.71Å; L93-F120 HydrophobicContact CB-CD2 4.16Å; L93-F120 HydrophobicContact CB-CE1 4.25Å; L93-F120 HydrophobicContact CB-CG 3.65Å; L93-F120 HydrophobicContact CD1-CB 4Å; L93-F120 HydrophobicContact CD1-CD1 4Å; L93-F120 HydrophobicContact CD1-CG 4.29Å; L93-F120 HydrophobicContact CG-CB 4.44Å; A94-F120 HydrophobicContact CB-CD2 4.23Å; A94-F120 HydrophobicContact CB-CE2 3.9Å; V97-F120 HydrophobicContact CG2-CE1 4.17Å; V97-F120 HydrophobicContact CG2-CZ 4Å; V107-F120 HydrophobicContact CG2-CE1 4.3Å; S117-F120 PolarHBondContact O-N 3.05Å; L118-F120 PolarHBondContact O-N 3.26Å; F120-A123 PolarHBondContact O-N 3.35Å; F120-S126 WeakPolarHBondContact O-CB 3.5Å; F120-S126 PolarHBondContact O-OG 2.88Å; F120-L128 HydrophobicContact CD1-CD1 4.29Å; F120-L128 HydrophobicContact CD1-CD2 4.05Å; F120-L128 HydrophobicContact CD1-CG 4.4Å; F120-L128 HydrophobicContact CE1-CD1 4.38Å; F120-L128 HydrophobicContact CE1-CD2 3.39Å; F120-L128 HydrophobicContact CE1-CG 4Å; F120-L128 HydrophobicContact CZ-CD2 4.09Å
121	L	97.5	Very high	95.6	Very high	63 Å²	63	44.7 Å²	44.7	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-42.3	177.9	172.7	66.5	0	0	0	112.2	S117 L118 L128 F131	S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.27Å; L118-L121 HydrophobicContact CD2-CD2 4.41Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-L121 VanDerWaalsContact O-N 3.11Å; L121-L128 HydrophobicContact CB-CD1 4.02Å; L121-L128 HydrophobicContact CD1-CD1 3.57Å; L121-L128 HydrophobicContact CG-CD1 4.42Å; L121-F131 HydrophobicContact CD1-CB 4.24Å; L121-F131 HydrophobicContact CD1-CG 4.35Å; L121-F131 HydrophobicContact CD2-CD1 3.64Å; L121-F131 HydrophobicContact CD2-CE1 3.76Å; L121-F131 HydrophobicContact CD2-CG 4.14Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å
122	V	96.6	Very high	95.6	Very high	87 Å²	87	45.5 Å²	45.5	53%	0.527	27%	0.269	S	S	.	.	H	α-helix	trans	-94.2	-1.5	-177.2	-56.3	0	0	0	0	114.1	L118 I142	L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.8Å; L118-V122 VanDerWaalsContact O-N 3.12Å; V122-I142 HydrophobicContact CB-CG2 4.23Å; V122-I142 HydrophobicContact CG1-CG2 3.52Å; V122-I142 HydrophobicContact CG2-CG2 3.72Å
123	A	94.4	Very high	95.6	Very high	29 Å²	29	48 Å²	48	24%	0.24	29%	0.286	C	S	.	.	S	Bend	trans	-60.4	139.5	-179.7	0	0	0	0	0	111.1	P119 F120 G125 S126	P119-A123 WeakPolarHBondContact O-CB 3.27Å; P119-A123 PolarHBondContact O-N 2.84Å; P119-A123 VanDerWaalsContact O-N 3.15Å; F120-A123 PolarHBondContact O-N 3.35Å; A123-G125 PolarHBondContact O-N 3.39Å; A123-S126 WeakPolarHBondContact O-CB 3.29Å; A123-S126 PolarHBondContact O-N 2.74Å
124	P	91.4	Very high	95.6	Very high	140 Å²	140	51.9 Å²	51.9	91%	0.909	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.8	173.6	-25.9	34.5	0	0	0	111.4	S126	P124-S126 VanDerWaalsContact C-N 3.28Å; P124-S126 PolarHBondContact O-N 2.9Å
125	G	85.8	Confident	95.6	Very high	76 Å²	76	56.1 Å²	56.1	78%	0.784	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	9.7	-179.1	0	0	0	0	0	115	A123 Q127	A123-G125 PolarHBondContact O-N 3.39Å; G125-Q127 WeakPolarHBondContact O-CG 3.42Å; G125-Q127 PolarHBondContact O-N 3.05Å
126	S	87.2	Confident	95.6	Very high	37 Å²	37	57 Å²	57	26%	0.259	35%	0.351	S	S	.	.			trans	-57.7	125.9	174.2	-172.2	0	0	0	0	111.4	F120 A123 P124	F120-S126 WeakPolarHBondContact O-CB 3.5Å; F120-S126 PolarHBondContact O-OG 2.88Å; A123-S126 WeakPolarHBondContact O-CB 3.29Å; A123-S126 PolarHBondContact O-N 2.74Å; P124-S126 VanDerWaalsContact C-N 3.28Å; P124-S126 PolarHBondContact O-N 2.9Å
127	Q	83.8	Confident	95.6	Very high	141 Å²	141	59.2 Å²	59.2	66%	0.659	36%	0.362	S	S	*	.			trans	-109.1	61.2	-179.3	-61.7	-163.8	-36.4	0	0	110.7	P104 G125	P104-Q127 WeakPolarHBondContact CA-O 3.27Å; P104-Q127 HydrophobicContact CB-CB 4.32Å; P104-Q127 WeakPolarHBondContact CB-O 3.43Å; P104-Q127 HydrophobicContact CG-CB 4.13Å; G125-Q127 WeakPolarHBondContact O-CG 3.42Å; G125-Q127 PolarHBondContact O-N 3.05Å
128	L	94.8	Very high	95.5	Very high	37 Å²	37	59.6 Å²	59.6	19%	0.194	37%	0.365	C	S	.	.			trans	-79	133.2	169.7	-72.2	178.8	0	0	0	110.6	P105 V107 F120 L121	P105-L128 HydrophobicContact CG-CD2 4.24Å; V107-L128 HydrophobicContact CB-CD2 4.23Å; V107-L128 HydrophobicContact CG2-CD2 3.43Å; V107-L128 VanDerWaalsContact CG2-CD2 3.43Å; F120-L128 HydrophobicContact CD1-CD1 4.29Å; F120-L128 HydrophobicContact CD1-CD2 4.05Å; F120-L128 HydrophobicContact CD1-CG 4.4Å; F120-L128 HydrophobicContact CE1-CD1 4.38Å; F120-L128 HydrophobicContact CE1-CD2 3.39Å; F120-L128 HydrophobicContact CE1-CG 4Å; F120-L128 HydrophobicContact CZ-CD2 4.09Å; L121-L128 HydrophobicContact CB-CD1 4.02Å; L121-L128 HydrophobicContact CD1-CD1 3.57Å; L121-L128 HydrophobicContact CG-CD1 4.42Å
129	R	97.3	Very high	95.4	Very high	132 Å²	132	63.3 Å²	63.3	50%	0.498	39%	0.388	S	S	.	.	S	Bend	trans	-79.3	-25.2	171.2	177.5	169.5	-83.9	127.2	-15.4	112	P104 P105 V106	P104-R129 HydrophobicContact CB-CB 4.43Å; P104-R129 WeakPolarHBondContact O-CB 3.42Å; P104-R129 PolarHBondContact O-NH1 2.73Å; P105-R129 PolarHBondContact O-N 3.28Å; V106-R129 HydrophobicContact CG2-CB 4.32Å; V106-R129 HydrophobicContact CG2-CG 4.29Å
130	G	98.2	Very high	95.3	Very high	25 Å²	25	68.7 Å²	68.7	26%	0.258	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	161.4	177	0	0	0	0	0	111.9	V106 V107	V106-G130 VanDerWaalsContact CA-O 3.31Å; V106-G130 WeakPolarHBondContact CA-O 3.32Å; V107-G130 PolarHBondContact N-O 2.91Å
131	F	98.6	Very high	95	Very high	55 Å²	55	73.1 Å²	73.1	24%	0.241	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.4	-178.6	-176.4	-122.9	0	0	0	110.4	V107 L118 L121 P133	V107-F131 HydrophobicContact CB-CD2 4.23Å; V107-F131 HydrophobicContact CG1-CD2 4.31Å; V107-F131 HydrophobicContact CG1-CE2 4.31Å; L118-F131 HydrophobicContact CD2-CE1 4.02Å; L118-F131 HydrophobicContact CD2-CZ 3.95Å; L121-F131 HydrophobicContact CD1-CB 4.24Å; L121-F131 HydrophobicContact CD1-CG 4.35Å; L121-F131 HydrophobicContact CD2-CD1 3.64Å; L121-F131 HydrophobicContact CD2-CE1 3.76Å; L121-F131 HydrophobicContact CD2-CG 4.14Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å; F131-P133 HydrophobicContact CD1-CB 4.31Å; F131-P133 HydrophobicContact CD1-CG 4.04Å; F131-P133 HydrophobicContact CE1-CB 3.64Å; F131-P133 HydrophobicContact CE1-CG 3.81Å; F131-P133 HydrophobicContact CZ-CB 3.94Å; F131-P133 WeakPolarHBondContact O-CD 3.46Å
132	V	98.8	Very high	94.3	Very high	68 Å²	68	75.4 Å²	75.4	41%	0.412	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	87.7	179.8	-174	0	0	0	0	108.6	V106 V107 I108 S109	V106-V132 HydrophobicContact CG1-CG2 4.13Å; V107-V132 PolarHBondContact O-N 3.05Å; I108-V132 WeakPolarHBondContact CA-O 3.28Å; I108-V132 HydrophobicContact CG1-CB 4.17Å; I108-V132 HydrophobicContact CG1-CG2 4.46Å; S109-V132 PolarHBondContact N-O 3.48Å
133	P	98.4	Very high	94.1	Very high	66 Å²	66	74.9 Å²	74.9	43%	0.429	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.3	176.3	29.3	-31.4	0	0	0	111.3	F131 P136	F131-P133 HydrophobicContact CD1-CB 4.31Å; F131-P133 HydrophobicContact CD1-CG 4.04Å; F131-P133 HydrophobicContact CE1-CB 3.64Å; F131-P133 HydrophobicContact CE1-CG 3.81Å; F131-P133 HydrophobicContact CZ-CB 3.94Å; F131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-P136 HydrophobicContact CB-CG 3.81Å
134	V	98.4	Very high	94.1	Very high	81 Å²	81	77.3 Å²	77.3	49%	0.491	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	88.8	172	-175	0	0	0	0	109	S109 P110 S111	S109-V134 PolarHBondContact O-N 3.13Å; P110-V134 CarbonylContact C-O 3.51Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.45Å; P110-V134 HydrophobicContact CB-CB 4Å; S111-V134 PolarHBondContact N-O 3.47Å
135	A	98	Very high	94.3	Very high	88 Å²	88	73.8 Å²	73.8	73%	0.727	43%	0.428	S	S	*	.	S	Bend	trans	46.4	54.7	-175	0	0	0	0	0	113.6	S111	S111-A135 VanDerWaalsContact CA-O 3.26Å; S111-A135 WeakPolarHBondContact CA-O 3.48Å; S111-A135 PolarHBondContact N-O 2.9Å
136	P	97.8	Very high	94.8	Very high	22 Å²	22	73.6 Å²	73.6	14%	0.143	41%	0.407	C	S	.	.			trans	-66.1	150.2	-179.7	28.7	-34	0	0	0	111.8	S111 P133 T139	S111-P136 WeakPolarHBondContact O-CA 3.46Å; P133-P136 HydrophobicContact CB-CG 3.81Å; P136-T139 HydrophobicContact CB-CG2 4.44Å; P136-T139 HydrophobicContact CG-CG2 3.75Å
137	I	97.9	Very high	95.3	Very high	54 Å²	54	75.9 Å²	75.9	28%	0.277	42%	0.417	S	S	.	.	S	Bend	trans	-81.3	169.5	167.9	66.7	167.6	0	0	0	111.1	S111 L112 G114 M115 L118 T139	S111-I137 PolarHBondContact O-N 2.83Å; L112-I137 HydrophobicContact CD1-CD1 3.92Å; G114-I137 CarbonylContact C-O 3.54Å; G114-I137 WeakPolarHBondContact CA-O 3.2Å; M115-I137 HydrophobicContact CB-CD1 4.25Å; M115-I137 HydrophobicContact CB-CG1 4.41Å; M115-I137 HydrophobicContact SD-CD1 4.46Å; L118-I137 WeakPolarHBondContact CD1-O 3.45Å; I137-T139 PolarHBondContact O-N 2.97Å
138	C	97.1	Very high	96	Very high	8 Å²	8	71.6 Å²	71.6	5%	0.054	40%	0.401	C	S	.	.			trans	64.9	19	177.9	-54.6	0	0	0	0	115	G85 D140 K141	G85-C138 PolarHBondContact O-SG 2.92Å; G85-C138 VanDerWaalsContact O-SG 3.4Å; C138-D140 PolarHBondContact O-N 3.11Å; C138-K141 HydrophobicContact CB-CB 4.39Å; C138-K141 HydrophobicContact CB-CD 4.39Å; C138-K141 HydrophobicContact CB-CG 4.5Å; C138-K141 PolarHBondContact O-N 3.48Å; C138-K141 VanDerWaalsContact O-N 3.14Å
139	T	96.4	Very high	96.1	Very high	92 Å²	92	74.1 Å²	74.1	56%	0.564	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.6	176.6	53	0	0	0	0	113.4	L118 P136 I137 K141	L118-T139 HydrophobicContact CD1-CG2 3.9Å; P136-T139 HydrophobicContact CB-CG2 4.44Å; P136-T139 HydrophobicContact CG-CG2 3.75Å; I137-T139 PolarHBondContact O-N 2.97Å; T139-K141 VanDerWaalsContact C-N 3.33Å
140	D	95.2	Very high	96	Very high	129 Å²	129	69.6 Å²	69.6	69%	0.69	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.8	175.9	60.7	-52.2	0	0	0	113.7	C138	C138-D140 PolarHBondContact O-N 3.11Å
141	K	90.8	Very high	95.8	Very high	105 Å²	105	73.3 Å²	73.3	46%	0.457	42%	0.422	S	S	.	.			trans	-116.7	14.9	-169.3	-56.7	-167.6	175.9	-167.1	0	114.3	G85 P87 C138 T139	G85-K141 WeakPolarHBondContact O-CE 3.13Å; G85-K141 PolarHBondContact O-NZ 3.28Å; P87-K141 HydrophobicContact CG-CB 3.83Å; P87-K141 HydrophobicContact CG-CD 4.31Å; C138-K141 HydrophobicContact CB-CB 4.39Å; C138-K141 HydrophobicContact CB-CD 4.39Å; C138-K141 HydrophobicContact CB-CG 4.5Å; C138-K141 PolarHBondContact O-N 3.48Å; C138-K141 VanDerWaalsContact O-N 3.14Å; T139-K141 VanDerWaalsContact C-N 3.33Å
142	I	82.6	Confident	95.6	Very high	112 Å²	112	75 Å²	75	57%	0.574	44%	0.438	S	S	*	.			trans	-124.9	0	-169.8	-62.4	-71.4	0	0	0	109.7	L118 P119 V122	L118-I142 HydrophobicContact CB-CD1 3.77Å; L118-I142 HydrophobicContact CB-CG1 3.61Å; L118-I142 HydrophobicContact CD1-CG1 4.14Å; L118-I142 HydrophobicContact CG-CG1 4.49Å; P119-I142 HydrophobicContact CG-CD1 3.82Å; V122-I142 HydrophobicContact CB-CG2 4.23Å; V122-I142 HydrophobicContact CG1-CG2 3.52Å; V122-I142 HydrophobicContact CG2-CG2 3.72Å

Retrieved 142 of 142 residues in 151.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).