A0A087Y0E9_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. Participates in pre-mRNA splicing. May play a role in the assembly of the U4/U5/U6 tri-snRNP complex, one of the building blocks of the spliceosome. May act as a chaperone. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB (A0A3P9PUV1), UniProt , Accession A0A087Y0E9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.5	Low	83.1	Confident	225 Å²	225	94.2 Å²	94.2	100%	1.108	54%	0.536	S	S	*	.				0	124.2	0	-64.6	179.7	-153.4	0	0	106.5
2	S	65.9	Low	84.4	Confident	93 Å²	93	90.1 Å²	90.1	65%	0.65	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-75	139	172.2	43.6	0	0	0	0	109.4	V145	S2-V145 CarbonylContact C-O 3.6Å; S2-V145 VanDerWaalsContact CA-O 3.32Å; S2-V145 WeakPolarHBondContact CA-O 3.29Å
3	V	77.1	Confident	85.5	Confident	85 Å²	85	83.2 Å²	83.2	52%	0.515	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-96.7	135.3	171.6	-176.2	0	0	0	0	106.8	V145	V3-V145 PolarHBondContact N-O 2.92Å; V3-V145 WeakPolarHBondContact O-CB 3.47Å
4	Q	78.4	Confident	86.5	Confident	169 Å²	169	78.7 Å²	78.7	79%	0.79	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-65.2	144.4	176.6	-71.6	-159.3	-7.8	0	0	111.2
5	P	80.6	Confident	87.3	Confident	54 Å²	54	73.5 Å²	73.5	35%	0.351	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-55	141.8	170.2	-23.4	33.4	0	0	0	111	N7 I12 E30	P5-N7 VanDerWaalsContact C-N 3.28Å; P5-I12 HydrophobicContact CG-CD1 3.81Å; P5-E30 WeakPolarHBondContact CA-OE2 3.36Å; P5-E30 HydrophobicContact CB-CG 4.47Å
6	S	86.7	Confident	88	Confident	75 Å²	75	70.8 Å²	70.8	52%	0.524	40%	0.399	S	S	.	.	S	Bend	trans	-67.7	-31.9	176.3	6.7	0	0	0	0	112.2	E30 K143	S6-E30 WeakPolarHBondContact CB-OE1 3.4Å; S6-E30 VanDerWaalsContact N-CD 3.3Å; S6-E30 PolarHBondContact N-OE1 3.36Å; S6-E30 VanDerWaalsContact N-OE1 3.09Å; S6-E30 PolarHBondContact N-OE2 3.28Å; S6-E30 PolarHBondContact OG-OE1 2.75Å; S6-E30 PolarHBondContact OG-OE2 3.34Å; S6-K143 WeakPolarHBondContact OG-CE 3.37Å; S6-K143 PolarHBondContact OG-NZ 3.45Å
7	N	91.2	Very high	88.6	Confident	35 Å²	35	66.6 Å²	66.6	19%	0.187	38%	0.375	C	S	.	.			trans	-136.8	127	179.2	-174.1	-26.9	0	0	0	109.1	P5 N9 N10 E30 D34	P5-N7 VanDerWaalsContact C-N 3.28Å; N7-N9 PolarHBondContact O-N 2.84Å; N7-N9 WeakPolarHBondContact OD1-CB 3Å; N7-N9 PolarHBondContact OD1-N 3.21Å; N7-N10 HydrophobicContact CB-CB 4.23Å; N7-N10 WeakPolarHBondContact CB-ND2 3.29Å; N7-N10 WeakPolarHBondContact O-CB 3.21Å; N7-N10 PolarHBondContact O-N 2.8Å; N7-E30 PolarHBondContact N-OE1 2.9Å; N7-D34 PolarHBondContact ND2-OD2 3.38Å
8	P	90.6	Very high	89.2	Confident	122 Å²	122	64.2 Å²	64.2	79%	0.792	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.7	-179.1	27.7	-35.9	0	0	0	113.8
9	N	95.1	Very high	89.7	Confident	142 Å²	142	62 Å²	62	76%	0.759	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.2	178.4	-60.7	-39.6	0	0	0	113	N7	N7-N9 PolarHBondContact O-N 2.84Å; N7-N9 WeakPolarHBondContact OD1-CB 3Å; N7-N9 PolarHBondContact OD1-N 3.21Å
10	N	98	Very high	90	Very high	10 Å²	10	61 Å²	61	5%	0.053	35%	0.354	C	S	.	.	S	Bend	trans	-74.2	136.5	179.3	-87.2	-11.5	0	0	0	110.6	N7 E30 L31 A33 D34	N7-N10 HydrophobicContact CB-CB 4.23Å; N7-N10 WeakPolarHBondContact CB-ND2 3.29Å; N7-N10 WeakPolarHBondContact O-CB 3.21Å; N7-N10 PolarHBondContact O-N 2.8Å; N10-E30 HydrophobicContact CB-CG 3.75Å; N10-E30 PolarHBondContact ND2-OE1 3.21Å; N10-L31 WeakPolarHBondContact CB-O 3.27Å; N10-L31 PolarHBondContact OD1-O 3.01Å; N10-A33 PolarHBondContact OD1-N 2.89Å; N10-D34 PolarHBondContact ND2-OD1 2.86Å; N10-D34 PolarHBondContact OD1-N 2.87Å; N10-D34 PolarHBondContact OD1-OD1 3.37Å; N10-D34 VanDerWaalsContact OD1-OD1 3.11Å
11	P	98.4	Very high	90.4	Very high	26 Å²	26	61 Å²	61	17%	0.169	37%	0.366	C	S	.	.			trans	-59.6	142.6	175.8	-23.2	33.2	0	0	0	111.8	L31 A33	P11-L31 HydrophobicContact CB-CB 4.49Å; P11-L31 HydrophobicContact CB-CD1 4.48Å; P11-L31 PolarHBondContact O-N 3.39Å; P11-A33 HydrophobicContact CG-CB 4.11Å
12	I	98.4	Very high	92.5	Very high	45 Å²	45	57.3 Å²	57.3	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.2	171.4	-59.5	178.5	0	0	0	108.3	P5 K28 I29 E176 M177	P5-I12 HydrophobicContact CG-CD1 3.81Å; I12-K28 HydrophobicContact CG2-CB 4.24Å; I12-I29 CarbonylContact C-O 3.52Å; I12-I29 WeakPolarHBondContact CA-O 3.42Å; I12-E176 WeakPolarHBondContact O-CG 3.39Å; I12-M177 HydrophobicContact CB-CB 4.16Å; I12-M177 HydrophobicContact CG2-CB 4.01Å; I12-M177 HydrophobicContact CG2-CG 3.87Å; I12-M177 PolarHBondContact O-N 3.45Å
13	V	98.8	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	165.4	173.2	-61.2	0	0	0	0	110.7	K28 I29 L31 F43 R44 C47 G175	V13-K28 WeakPolarHBondContact O-CA 3.05Å; V13-I29 HydrophobicContact CG2-CB 3.96Å; V13-I29 PolarHBondContact N-O 3.47Å; V13-I29 PolarHBondContact O-N 3.15Å; V13-L31 HydrophobicContact CG1-CD1 3.78Å; V13-L31 HydrophobicContact CG1-CG 4.41Å; V13-L31 HydrophobicContact CG2-CD1 4.1Å; V13-L31 HydrophobicContact CG2-CD2 3.99Å; V13-L31 HydrophobicContact CG2-CG 4.06Å; V13-F43 HydrophobicContact CG2-CD1 4.14Å; V13-F43 HydrophobicContact CG2-CE1 3.85Å; V13-R44 HydrophobicContact CG1-CB 4.44Å; V13-R44 HydrophobicContact CG1-CG 3.99Å; V13-C47 HydrophobicContact CB-CB 4.08Å; V13-C47 HydrophobicContact CG1-CB 4.01Å; V13-G175 CarbonylContact C-O 3.6Å; V13-G175 VanDerWaalsContact CA-O 3.23Å; V13-G175 WeakPolarHBondContact CA-O 3.34Å; V13-G175 VanDerWaalsContact CB-O 3.29Å; V13-G175 WeakPolarHBondContact CB-O 3.42Å
14	F	98.8	Very high	95	Very high	21 Å²	21	55.7 Å²	55.7	9%	0.092	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.6	177.9	74.8	-90.8	0	0	0	113.3	R26 M27 Q173 C174 G175 M177	F14-R26 HydrophobicContact CB-CG 3.94Å; F14-R26 HydrophobicContact CD2-CG 4.17Å; F14-R26 VanDerWaalsContact CD2-CZ 3.45Å; F14-R26 VanDerWaalsContact CE2-CZ 3.47Å; F14-R26 HydrophobicContact CG-CG 4.41Å; F14-M27 CarbonylContact C-O 3.54Å; F14-M27 WeakPolarHBondContact CA-O 3.3Å; F14-M27 WeakPolarHBondContact CB-O 3.48Å; F14-Q173 HydrophobicContact CE2-CG 4.03Å; F14-Q173 HydrophobicContact CZ-CG 4.34Å; F14-C174 VanDerWaalsContact O-CA 3.23Å; F14-C174 WeakPolarHBondContact O-CA 3.43Å; F14-C174 WeakPolarHBondContact O-CB 3.4Å; F14-G175 WeakPolarHBondContact CD1-O 3.44Å; F14-G175 PolarHBondContact N-O 2.84Å; F14-G175 PolarHBondContact O-N 2.71Å; F14-M177 HydrophobicContact CB-CG 4.25Å; F14-M177 HydrophobicContact CB-SD 4.07Å; F14-M177 HydrophobicContact CD1-CG 3.97Å; F14-M177 HydrophobicContact CD1-SD 3.55Å; F14-M177 VanDerWaalsContact CD1-SD 3.55Å; F14-M177 HydrophobicContact CE1-SD 4.3Å; F14-M177 HydrophobicContact CG-SD 4.01Å
15	F	98.8	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.7	168.2	-64.1	-32.1	0	0	0	110.4	I17 R26 M27 I29 F43 F60 F124 I171 C174	F15-I17 HydrophobicContact CB-CD1 3.72Å; F15-I17 HydrophobicContact CB-CG1 4.38Å; F15-R26 CarbonylContact O-C 3.48Å; F15-R26 WeakPolarHBondContact O-CA 3.31Å; F15-M27 PolarHBondContact N-O 3.14Å; F15-M27 PolarHBondContact O-N 3.17Å; F15-I29 HydrophobicContact CD2-CD1 3.75Å; F15-I29 HydrophobicContact CE2-CD1 3.71Å; F15-F43 HydrophobicContact CE2-CE1 4.35Å; F15-F43 AromaticContact CE2-CZ 3.8Å; F15-F43 HydrophobicContact CE2-CZ 3.8Å; F15-F43 AromaticContact CZ-CE1 3.81Å; F15-F43 HydrophobicContact CZ-CE1 3.81Å; F15-F43 HydrophobicContact CZ-CE2 4.41Å; F15-F43 AromaticContact CZ-CZ 3.43Å; F15-F43 HydrophobicContact CZ-CZ 3.43Å; F15-F43 VanDerWaalsContact CZ-CZ 3.43Å; F15-F60 HydrophobicContact CE1-CB 4.03Å; F15-F60 AromaticContact CE1-CD2 3.91Å; F15-F60 HydrophobicContact CE1-CD2 3.91Å; F15-F60 HydrophobicContact CE1-CG 4.3Å; F15-F60 HydrophobicContact CZ-CB 4.4Å; F15-F60 AromaticContact CZ-CD2 3.82Å; F15-F60 HydrophobicContact CZ-CD2 3.82Å; F15-F60 HydrophobicContact CZ-CE2 4.42Å; F15-F60 HydrophobicContact CZ-CG 4.28Å; F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.21Å; F15-F124 AromaticContact CE2-CE2 3.98Å; F15-F124 HydrophobicContact CE2-CE2 3.98Å; F15-F124 AromaticContact CE2-CZ 3.48Å; F15-F124 HydrophobicContact CE2-CZ 3.48Å; F15-F124 VanDerWaalsContact CE2-CZ 3.48Å; F15-F124 HydrophobicContact CZ-CE1 4.2Å; F15-F124 AromaticContact CZ-CZ 3.92Å; F15-F124 HydrophobicContact CZ-CZ 3.92Å; F15-I171 HydrophobicContact CB-CG2 4.12Å; F15-I171 HydrophobicContact CD1-CD1 4.3Å; F15-I171 HydrophobicContact CD1-CG2 3.6Å; F15-I171 HydrophobicContact CD2-CD1 4.26Å; F15-I171 HydrophobicContact CE1-CD1 4.22Å; F15-I171 HydrophobicContact CE1-CG2 4.21Å; F15-I171 HydrophobicContact CE2-CD1 4.17Å; F15-I171 HydrophobicContact CG-CD1 4.33Å; F15-I171 HydrophobicContact CG-CG1 4.41Å; F15-I171 HydrophobicContact CG-CG2 4Å; F15-I171 HydrophobicContact CZ-CD1 4.14Å; F15-C174 HydrophobicContact CD1-CB 3.5Å; F15-C174 HydrophobicContact CE1-CB 3.8Å
16	D	98.6	Very high	96.8	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.16	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.3	163.3	-65.9	-34.5	0	0	0	108.5	R26 I171 A172 Q173	D16-R26 VanDerWaalsContact OD1-CB 3.24Å; D16-R26 WeakPolarHBondContact OD1-CB 3.43Å; D16-R26 WeakPolarHBondContact OD1-CG 3.47Å; D16-R26 IonicContact OD1-CZ 2.74Å; D16-R26 IonicContact OD1-NE 2.77Å; D16-R26 PolarHBondContact OD1-NE 3.47Å; D16-R26 IonicContact OD1-NH2 3.66Å; D16-R26 PolarHBondContact OD1-NH2 3.07Å; D16-R26 IonicContact OD2-CZ 2.69Å; D16-R26 IonicContact OD2-NE 3.41Å; D16-R26 IonicContact OD2-NH2 2.89Å; D16-R26 PolarHBondContact OD2-NH2 2.83Å; D16-I171 CarbonylContact O-C 3.46Å; D16-A172 PolarHBondContact O-N 3.22Å; D16-Q173 HydrophobicContact CB-CB 4.03Å; D16-Q173 PolarHBondContact N-O 2.75Å
17	I	98.7	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.4	-171.3	-56.8	-57.9	0	0	0	110.4	F15 I19 V24 G25 F65 I150 I154 I169 L170 I171	F15-I17 HydrophobicContact CB-CD1 3.72Å; F15-I17 HydrophobicContact CB-CG1 4.38Å; I17-I19 HydrophobicContact CG2-CG1 4.36Å; I17-V24 HydrophobicContact CB-CG2 3.74Å; I17-V24 HydrophobicContact CG2-CG2 3.56Å; I17-V24 VanDerWaalsContact O-CG2 3.28Å; I17-V24 WeakPolarHBondContact O-CG2 3.45Å; I17-V24 PolarHBondContact O-N 3.08Å; I17-G25 PolarHBondContact N-O 3.33Å; I17-F65 HydrophobicContact CD1-CE2 3.85Å; I17-I150 HydrophobicContact CB-CG2 4.01Å; I17-I150 HydrophobicContact CG1-CG2 3.96Å; I17-I150 HydrophobicContact CG2-CG2 4.42Å; I17-I154 HydrophobicContact CG1-CD1 4.29Å; I17-I154 HydrophobicContact CG2-CD1 4.02Å; I17-I154 HydrophobicContact CG2-CG1 4.19Å; I17-I169 HydrophobicContact CG2-CG2 3.96Å; I17-L170 WeakPolarHBondContact CA-O 3.47Å; I17-I171 HydrophobicContact CD1-CG1 3.97Å
18	T	98.6	Very high	97.7	Very high	23 Å²	23	48.5 Å²	48.5	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.5	163.6	66.8	0	0	0	0	111.2	Q22 I169 L170 A172	T18-Q22 CarbonylContact C-O 3.45Å; T18-Q22 WeakPolarHBondContact CA-O 3.41Å; T18-Q22 WeakPolarHBondContact CB-O 3.28Å; T18-I169 CarbonylContact O-C 3.54Å; T18-I169 WeakPolarHBondContact O-CA 3.47Å; T18-L170 PolarHBondContact N-O 2.91Å; T18-L170 PolarHBondContact O-N 3.26Å; T18-A172 HydrophobicContact CG2-CB 3.74Å
19	I	98.4	Very high	98.1	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	173.2	-58.8	-179.7	0	0	0	107.7	I17 G21 Q22 V24 K153 I154 V157 L167 P168 I169	I17-I19 HydrophobicContact CG2-CG1 4.36Å; I19-G21 PolarHBondContact O-N 3.17Å; I19-Q22 PolarHBondContact N-O 3.49Å; I19-Q22 PolarHBondContact O-N 3.31Å; I19-V24 HydrophobicContact CB-CG1 4.08Å; I19-V24 HydrophobicContact CD1-CB 4.48Å; I19-V24 HydrophobicContact CD1-CG1 3.95Å; I19-V24 HydrophobicContact CD1-CG2 4.02Å; I19-V24 HydrophobicContact CG1-CG1 3.91Å; I19-V24 HydrophobicContact CG1-CG2 3.93Å; I19-K153 HydrophobicContact CD1-CB 4.32Å; I19-I154 HydrophobicContact CD1-CG1 4.3Å; I19-V157 HydrophobicContact CD1-CG2 3.86Å; I19-V157 HydrophobicContact CG2-CG2 3.86Å; I19-L167 HydrophobicContact CG2-CB 4.21Å; I19-L167 HydrophobicContact CG2-CD1 4.29Å; I19-P168 CarbonylContact C-O 3.53Å; I19-P168 WeakPolarHBondContact CA-O 3.44Å; I19-I169 HydrophobicContact CG1-CG1 4.43Å; I19-I169 HydrophobicContact CG1-CG2 4.27Å
20	G	97.3	Very high	98.3	Very high	42 Å²	42	35.9 Å²	35.9	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	28.4	-176	0	0	0	0	0	113.3	Q22 P168	G20-Q22 VanDerWaalsContact C-N 3.34Å; G20-P168 PolarHBondContact N-O 3.19Å
21	G	96.6	Very high	98.3	Very high	60 Å²	60	35.4 Å²	35.4	62%	0.619	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-4.3	-176.7	0	0	0	0	0	115.5	I19	I19-G21 PolarHBondContact O-N 3.17Å
22	Q	98	Very high	98.3	Very high	149 Å²	149	34.4 Å²	34.4	70%	0.696	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.5	174.7	-64.5	-173.5	-9.3	0	0	111	T18 I19 G20 V24	T18-Q22 CarbonylContact C-O 3.45Å; T18-Q22 WeakPolarHBondContact CA-O 3.41Å; T18-Q22 WeakPolarHBondContact CB-O 3.28Å; I19-Q22 PolarHBondContact N-O 3.49Å; I19-Q22 PolarHBondContact O-N 3.31Å; G20-Q22 VanDerWaalsContact C-N 3.34Å; Q22-V24 PolarHBondContact O-N 3.48Å
23	D	98	Very high	98.3	Very high	117 Å²	117	33.8 Å²	33.8	63%	0.626	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	127.4	172.8	-176.5	10.4	0	0	0	110.6	G25	D23-G25 PolarHBondContact OD1-N 3.03Å
24	V	97.5	Very high	98.2	Very high	27 Å²	27	38 Å²	38	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-4.5	178.5	-62	0	0	0	0	113.2	I17 I19 Q22 I150 K153	I17-V24 HydrophobicContact CB-CG2 3.74Å; I17-V24 HydrophobicContact CG2-CG2 3.56Å; I17-V24 VanDerWaalsContact O-CG2 3.28Å; I17-V24 WeakPolarHBondContact O-CG2 3.45Å; I17-V24 PolarHBondContact O-N 3.08Å; I19-V24 HydrophobicContact CB-CG1 4.08Å; I19-V24 HydrophobicContact CD1-CB 4.48Å; I19-V24 HydrophobicContact CD1-CG1 3.95Å; I19-V24 HydrophobicContact CD1-CG2 4.02Å; I19-V24 HydrophobicContact CG1-CG1 3.91Å; I19-V24 HydrophobicContact CG1-CG2 3.93Å; Q22-V24 PolarHBondContact O-N 3.48Å; V24-I150 HydrophobicContact CG2-CG2 3.95Å; V24-K153 HydrophobicContact CB-CD 4.22Å
25	G	98.1	Very high	98.2	Very high	23 Å²	23	38.6 Å²	38.6	24%	0.237	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119	-177.3	172.1	0	0	0	0	0	115.1	I17 D23	I17-G25 PolarHBondContact N-O 3.33Å; D23-G25 PolarHBondContact OD1-N 3.03Å
26	R	98.4	Very high	98.2	Very high	94 Å²	94	38.6 Å²	38.6	36%	0.355	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.3	-179.7	-175.4	168.6	-70.2	-167	-1.4	113.5	F14 F15 D16 K28 I150	F14-R26 HydrophobicContact CB-CG 3.94Å; F14-R26 HydrophobicContact CD2-CG 4.17Å; F14-R26 VanDerWaalsContact CD2-CZ 3.45Å; F14-R26 VanDerWaalsContact CE2-CZ 3.47Å; F14-R26 HydrophobicContact CG-CG 4.41Å; F15-R26 CarbonylContact O-C 3.48Å; F15-R26 WeakPolarHBondContact O-CA 3.31Å; D16-R26 VanDerWaalsContact OD1-CB 3.24Å; D16-R26 WeakPolarHBondContact OD1-CB 3.43Å; D16-R26 WeakPolarHBondContact OD1-CG 3.47Å; D16-R26 IonicContact OD1-CZ 2.74Å; D16-R26 IonicContact OD1-NE 2.77Å; D16-R26 PolarHBondContact OD1-NE 3.47Å; D16-R26 IonicContact OD1-NH2 3.66Å; D16-R26 PolarHBondContact OD1-NH2 3.07Å; D16-R26 IonicContact OD2-CZ 2.69Å; D16-R26 IonicContact OD2-NE 3.41Å; D16-R26 IonicContact OD2-NH2 2.89Å; D16-R26 PolarHBondContact OD2-NH2 2.83Å; R26-K28 HydrophobicContact CG-CG 4.46Å; R26-I150 VanDerWaalsContact N-CD1 3.32Å; R26-I150 WeakPolarHBondContact O-CD1 3.47Å
27	M	98.3	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.5	165.8	-166.2	179.7	-52.3	0	0	109.7	F14 F15 I29 I126 V144 D146 I150 M151 I154	F14-M27 CarbonylContact C-O 3.54Å; F14-M27 WeakPolarHBondContact CA-O 3.3Å; F14-M27 WeakPolarHBondContact CB-O 3.48Å; F15-M27 PolarHBondContact N-O 3.14Å; F15-M27 PolarHBondContact O-N 3.17Å; M27-I29 HydrophobicContact CG-CG1 4.25Å; M27-I29 HydrophobicContact SD-CD1 4.43Å; M27-I29 HydrophobicContact SD-CG1 4.44Å; M27-I126 HydrophobicContact CE-CD1 4.37Å; M27-I126 HydrophobicContact SD-CD1 3.6Å; M27-V144 HydrophobicContact CG-CG1 3.66Å; M27-V144 HydrophobicContact CG-CG2 4.09Å; M27-V144 HydrophobicContact SD-CG1 4.15Å; M27-V144 HydrophobicContact SD-CG2 3.56Å; M27-V144 VanDerWaalsContact SD-CG2 3.56Å; M27-D146 WeakPolarHBondContact CA-O 3.22Å; M27-I150 HydrophobicContact CE-CB 4.38Å; M27-I150 HydrophobicContact CE-CG2 4.23Å; M27-M151 HydrophobicContact CE-CB 3.73Å; M27-I154 HydrophobicContact CE-CD1 4.12Å
28	K	98.4	Very high	98.2	Very high	64 Å²	64	46.8 Å²	46.8	28%	0.278	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.7	172.4	-58.1	176.6	-172.2	153.1	0	109.4	I12 V13 R26 V144 V145 D146	I12-K28 HydrophobicContact CG2-CB 4.24Å; V13-K28 WeakPolarHBondContact O-CA 3.05Å; R26-K28 HydrophobicContact CG-CG 4.46Å; K28-V144 WeakPolarHBondContact O-CA 3.38Å; K28-V145 HydrophobicContact CB-CG2 3.86Å; K28-V145 WeakPolarHBondContact O-CG2 3.31Å; K28-V145 PolarHBondContact O-N 2.9Å; K28-D146 HydrophobicContact CB-CB 3.84Å; K28-D146 HydrophobicContact CD-CB 3.83Å; K28-D146 HydrophobicContact CG-CB 3.99Å; K28-D146 PolarHBondContact N-O 3.49Å; K28-D146 IonicContact NZ-OD2 3.6Å; K28-D146 PolarHBondContact NZ-OD2 3.01Å; K28-D146 PolarHBondContact O-N 3.49Å
29	I	98.6	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123	-171.4	-52.6	171.7	0	0	0	108	I12 V13 F15 M27 L31 L110 K143 V144	I12-I29 CarbonylContact C-O 3.52Å; I12-I29 WeakPolarHBondContact CA-O 3.42Å; V13-I29 HydrophobicContact CG2-CB 3.96Å; V13-I29 PolarHBondContact N-O 3.47Å; V13-I29 PolarHBondContact O-N 3.15Å; F15-I29 HydrophobicContact CD2-CD1 3.75Å; F15-I29 HydrophobicContact CE2-CD1 3.71Å; M27-I29 HydrophobicContact CG-CG1 4.25Å; M27-I29 HydrophobicContact SD-CD1 4.43Å; M27-I29 HydrophobicContact SD-CG1 4.44Å; I29-L31 HydrophobicContact CG2-CD2 4.07Å; I29-L110 HydrophobicContact CG2-CB 4.41Å; I29-L110 HydrophobicContact CG2-CD2 3.59Å; I29-K143 CarbonylContact C-O 3.37Å; I29-K143 VanDerWaalsContact CA-O 3.32Å; I29-K143 WeakPolarHBondContact CA-O 3.35Å; I29-V144 HydrophobicContact CG1-CG2 4.48Å
30	E	98.6	Very high	98.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.7	166.1	178.6	-171.2	169.6	0	0	109.1	P5 S6 N7 N10 F32 G142 K143 V145	P5-E30 WeakPolarHBondContact CA-OE2 3.36Å; P5-E30 HydrophobicContact CB-CG 4.47Å; S6-E30 WeakPolarHBondContact CB-OE1 3.4Å; S6-E30 VanDerWaalsContact N-CD 3.3Å; S6-E30 PolarHBondContact N-OE1 3.36Å; S6-E30 VanDerWaalsContact N-OE1 3.09Å; S6-E30 PolarHBondContact N-OE2 3.28Å; S6-E30 PolarHBondContact OG-OE1 2.75Å; S6-E30 PolarHBondContact OG-OE2 3.34Å; N7-E30 PolarHBondContact N-OE1 2.9Å; N10-E30 HydrophobicContact CB-CG 3.75Å; N10-E30 PolarHBondContact ND2-OE1 3.21Å; E30-F32 HydrophobicContact CG-CD1 4.39Å; E30-F32 HydrophobicContact CG-CE1 4.4Å; E30-G142 CarbonylContact O-C 3.58Å; E30-G142 WeakPolarHBondContact O-CA 3.48Å; E30-K143 HydrophobicContact CB-CG 4.42Å; E30-K143 PolarHBondContact N-O 2.84Å; E30-K143 PolarHBondContact O-N 3.24Å; E30-K143 WeakPolarHBondContact OE2-CE 3.41Å; E30-K143 IonicContact OE2-NZ 3.17Å; E30-K143 PolarHBondContact OE2-NZ 2.9Å; E30-V145 HydrophobicContact CB-CG1 3.72Å
31	L	98.8	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129	172.9	-53.6	-178.2	0	0	0	109.7	N10 P11 V13 I29 A33 A40 F43 R44 L110 F141	N10-L31 WeakPolarHBondContact CB-O 3.27Å; N10-L31 PolarHBondContact OD1-O 3.01Å; P11-L31 HydrophobicContact CB-CB 4.49Å; P11-L31 HydrophobicContact CB-CD1 4.48Å; P11-L31 PolarHBondContact O-N 3.39Å; V13-L31 HydrophobicContact CG1-CD1 3.78Å; V13-L31 HydrophobicContact CG1-CG 4.41Å; V13-L31 HydrophobicContact CG2-CD1 4.1Å; V13-L31 HydrophobicContact CG2-CD2 3.99Å; V13-L31 HydrophobicContact CG2-CG 4.06Å; I29-L31 HydrophobicContact CG2-CD2 4.07Å; L31-A33 PolarHBondContact O-N 3.25Å; L31-A40 HydrophobicContact CB-CB 3.96Å; L31-F43 HydrophobicContact CD1-CB 4.47Å; L31-F43 HydrophobicContact CD1-CD1 4.04Å; L31-F43 HydrophobicContact CD2-CD1 3.65Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.4Å; L31-R44 HydrophobicContact CD1-CB 3.79Å; L31-R44 HydrophobicContact CD1-CG 4.38Å; L31-L110 HydrophobicContact CD2-CD2 3.92Å; L31-F141 HydrophobicContact CD2-CD2 4.21Å; L31-F141 HydrophobicContact CD2-CE2 4.12Å
32	F	98.5	Very high	98.4	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.022	22%	0.221	C	C	.	.			trans	-78.1	61.6	-177.1	-55.4	-35.1	0	0	0	111.9	E30 D34 V35 V36 M102 V140 F141 G142 K143	E30-F32 HydrophobicContact CG-CD1 4.39Å; E30-F32 HydrophobicContact CG-CE1 4.4Å; F32-D34 PolarHBondContact O-N 2.91Å; F32-V35 HydrophobicContact CB-CB 4.19Å; F32-V35 HydrophobicContact CB-CG2 4.36Å; F32-V35 PolarHBondContact O-N 2.9Å; F32-V36 HydrophobicContact CB-CG2 4.23Å; F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 3.29Å; F32-M102 HydrophobicContact CD2-CE 4.08Å; F32-M102 HydrophobicContact CD2-CG 4.11Å; F32-M102 HydrophobicContact CE2-CE 3.7Å; F32-M102 HydrophobicContact CE2-CG 4.44Å; F32-M102 HydrophobicContact CZ-CE 4.13Å; F32-V140 HydrophobicContact CE2-CG1 4.11Å; F32-F141 VanDerWaalsContact CD2-C 3.47Å; F32-F141 PolarHBondContact N-O 3.25Å; F32-G142 VanDerWaalsContact CD2-N 3.32Å; F32-G142 VanDerWaalsContact CE2-C 3.46Å; F32-G142 VanDerWaalsContact CE2-CA 3.48Å; F32-G142 WeakPolarHBondContact CE2-O 3.28Å; F32-G142 VanDerWaalsContact CZ-C 3.43Å; F32-K143 HydrophobicContact CE1-CB 4.45Å; F32-K143 HydrophobicContact CE1-CD 4.14Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.86Å; F32-K143 HydrophobicContact CZ-CD 4.02Å; F32-K143 HydrophobicContact CZ-CG 3.8Å
33	A	98.3	Very high	98.4	Very high	31 Å²	31	35.6 Å²	35.6	26%	0.256	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.9	-178.9	0	0	0	0	0	112.8	N10 P11 L31 V35 P37 A40	N10-A33 PolarHBondContact OD1-N 2.89Å; P11-A33 HydrophobicContact CG-CB 4.11Å; L31-A33 PolarHBondContact O-N 3.25Å; A33-V35 VanDerWaalsContact C-N 3.3Å; A33-P37 WeakPolarHBondContact O-CA 3.14Å; A33-P37 WeakPolarHBondContact O-CB 3.34Å; A33-P37 WeakPolarHBondContact O-CD 2.95Å; A33-A40 HydrophobicContact CB-CB 4.03Å
34	D	98	Very high	98.4	Very high	89 Å²	89	31.1 Å²	31.1	48%	0.476	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.7	171.7	61.4	-24.3	0	0	0	114.4	N7 N10 F32	N7-D34 PolarHBondContact ND2-OD2 3.38Å; N10-D34 PolarHBondContact ND2-OD1 2.86Å; N10-D34 PolarHBondContact OD1-N 2.87Å; N10-D34 PolarHBondContact OD1-OD1 3.37Å; N10-D34 VanDerWaalsContact OD1-OD1 3.11Å; F32-D34 PolarHBondContact O-N 2.91Å
35	V	98	Very high	98.5	Very high	33 Å²	33	31.5 Å²	31.5	20%	0.2	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-40.8	-179	-173.4	0	0	0	0	112.4	F32 A33 N99 K101 M102	F32-V35 HydrophobicContact CB-CB 4.19Å; F32-V35 HydrophobicContact CB-CG2 4.36Å; F32-V35 PolarHBondContact O-N 2.9Å; A33-V35 VanDerWaalsContact C-N 3.3Å; V35-N99 PolarHBondContact O-ND2 3.5Å; V35-K101 HydrophobicContact CG1-CB 4.18Å; V35-K101 HydrophobicContact CG1-CD 4.06Å; V35-M102 HydrophobicContact CG1-CG 4.1Å
36	V	98.4	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.			trans	-137.2	65.4	-175.2	-73.7	0	0	0	0	110.8	F32 K38 T39 A40 E98 N99 V139 F141	F32-V36 HydrophobicContact CB-CG2 4.23Å; F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 3.29Å; V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.94Å; V36-T39 PolarHBondContact O-N 2.9Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.47Å; V36-A40 PolarHBondContact O-N 3.44Å; V36-E98 VanDerWaalsContact CA-CD 3.46Å; V36-E98 WeakPolarHBondContact CA-OE2 3.37Å; V36-E98 HydrophobicContact CB-CG 4.42Å; V36-E98 VanDerWaalsContact CB-OE2 3.31Å; V36-E98 WeakPolarHBondContact CB-OE2 3.11Å; V36-E98 HydrophobicContact CG1-CB 4.2Å; V36-E98 HydrophobicContact CG1-CG 4.22Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.23Å; V36-V139 HydrophobicContact CB-CG1 4.49Å; V36-V139 HydrophobicContact CG1-CG1 3.87Å; V36-F141 HydrophobicContact CG2-CB 3.49Å; V36-F141 VanDerWaalsContact CG2-CB 3.49Å
37	P	98.4	Very high	98.5	Very high	70 Å²	70	26 Å²	26	46%	0.455	14%	0.135	S	C	.	.	H	α-helix	trans	-57.4	-36.7	-174.2	20.3	-32.6	0	0	0	113.8	A33 E41 E98	A33-P37 WeakPolarHBondContact O-CA 3.14Å; A33-P37 WeakPolarHBondContact O-CB 3.34Å; A33-P37 WeakPolarHBondContact O-CD 2.95Å; P37-E41 VanDerWaalsContact O-CB 3.23Å; P37-E41 WeakPolarHBondContact O-CB 3.43Å; P37-E41 PolarHBondContact O-N 2.87Å; P37-E98 WeakPolarHBondContact CD-OE1 3.21Å; P37-E98 WeakPolarHBondContact CG-OE1 3.32Å
38	K	98.5	Very high	98.5	Very high	132 Å²	132	28.2 Å²	28.2	57%	0.574	15%	0.148	S	C	*	.	H	α-helix	trans	-70	-44.8	-179.9	-62.3	176.6	-179.1	178.3	0	111.3	V36 E41 N42 Y91 E98	V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.94Å; K38-E41 PolarHBondContact O-N 2.93Å; K38-N42 WeakPolarHBondContact O-CB 3.05Å; K38-N42 PolarHBondContact O-N 2.93Å; K38-Y91 VanDerWaalsContact CA-OH 3.24Å; K38-Y91 WeakPolarHBondContact CA-OH 3.46Å; K38-Y91 HydrophobicContact CB-CE2 4.21Å; K38-Y91 WeakPolarHBondContact CB-OH 3.45Å; K38-Y91 PolarHBondContact O-OH 2.92Å; K38-E98 WeakPolarHBondContact CB-OE2 3.39Å; K38-E98 WeakPolarHBondContact CG-OE1 3.17Å; K38-E98 PolarHBondContact N-OE1 3.37Å; K38-E98 PolarHBondContact N-OE2 3.48Å; K38-E98 VanDerWaalsContact N-OE2 3.12Å
39	T	98.6	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-43.1	-179.7	-47.2	0	0	0	0	110.9	V36 N42 F43 F95 E98 M112 V139 F141	V36-T39 PolarHBondContact O-N 2.9Å; T39-N42 PolarHBondContact O-N 2.96Å; T39-F43 PolarHBondContact O-N 2.87Å; T39-F43 VanDerWaalsContact O-N 3.16Å; T39-F95 HydrophobicContact CG2-CE2 4.39Å; T39-F95 HydrophobicContact CG2-CZ 4.27Å; T39-E98 PolarHBondContact N-OE2 2.96Å; T39-E98 PolarHBondContact OG1-OE2 3Å; T39-M112 HydrophobicContact CG2-CG 3.43Å; T39-M112 VanDerWaalsContact CG2-CG 3.43Å; T39-M112 HydrophobicContact CG2-SD 3.78Å; T39-V139 HydrophobicContact CG2-CG1 4.25Å; T39-F141 HydrophobicContact CG2-CB 3.67Å; T39-F141 HydrophobicContact CG2-CD1 3.85Å; T39-F141 HydrophobicContact CG2-CD2 4.26Å; T39-F141 HydrophobicContact CG2-CG 3.68Å
40	A	98.7	Very high	98.4	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-47.4	175.2	0	0	0	0	0	111.6	L31 A33 V36 N42 F43 R44	L31-A40 HydrophobicContact CB-CB 3.96Å; A33-A40 HydrophobicContact CB-CB 4.03Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.47Å; V36-A40 PolarHBondContact O-N 3.44Å; A40-N42 PolarHBondContact O-N 2.8Å; A40-F43 PolarHBondContact O-N 3.06Å; A40-R44 WeakPolarHBondContact O-CB 3.3Å; A40-R44 PolarHBondContact O-N 2.97Å
41	E	98.7	Very high	98.3	Very high	59 Å²	59	33.2 Å²	33.2	28%	0.276	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-39.4	-179.1	-178.2	57.9	-167.3	0	0	112.5	P37 K38 F43 R44 Q45 I90	P37-E41 VanDerWaalsContact O-CB 3.23Å; P37-E41 WeakPolarHBondContact O-CB 3.43Å; P37-E41 PolarHBondContact O-N 2.87Å; K38-E41 PolarHBondContact O-N 2.93Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.69Å; E41-R44 PolarHBondContact O-N 3.27Å; E41-R44 IonicContact OE1-CZ 3.72Å; E41-R44 IonicContact OE1-NE 3.91Å; E41-R44 IonicContact OE1-NH2 2.84Å; E41-R44 PolarHBondContact OE1-NH2 2.92Å; E41-R44 IonicContact OE2-CZ 3.63Å; E41-R44 IonicContact OE2-NE 3.46Å; E41-R44 PolarHBondContact OE2-NE 3.39Å; E41-R44 IonicContact OE2-NH2 3.49Å; E41-R44 PolarHBondContact OE2-NH2 2.82Å; E41-Q45 WeakPolarHBondContact O-CG 3.37Å; E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.34Å; E41-Q45 PolarHBondContact OE1-NE2 3.05Å; E41-I90 HydrophobicContact CG-CD1 3.98Å
42	N	98.7	Very high	98.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-46.4	172.5	174.9	74.8	0	0	0	111.7	K38 T39 A40 F46 S89 I90 Y91 F95 G121	K38-N42 WeakPolarHBondContact O-CB 3.05Å; K38-N42 PolarHBondContact O-N 2.93Å; T39-N42 PolarHBondContact O-N 2.96Å; A40-N42 PolarHBondContact O-N 2.8Å; N42-F46 WeakPolarHBondContact O-CD2 3.39Å; N42-F46 PolarHBondContact O-N 2.79Å; N42-F46 VanDerWaalsContact OD1-CE2 3.26Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.44Å; N42-S89 VanDerWaalsContact OD1-CA 3.31Å; N42-S89 WeakPolarHBondContact OD1-CA 3.38Å; N42-S89 VanDerWaalsContact OD1-CB 3.31Å; N42-S89 WeakPolarHBondContact OD1-CB 3.41Å; N42-I90 HydrophobicContact CB-CD1 4.31Å; N42-I90 HydrophobicContact CB-CG1 4.09Å; N42-I90 PolarHBondContact OD1-N 3.17Å; N42-I90 VanDerWaalsContact OD1-N 3.08Å; N42-Y91 HydrophobicContact CB-CE2 4.09Å; N42-F95 HydrophobicContact CB-CE1 4.43Å; N42-F95 HydrophobicContact CB-CZ 4.35Å; N42-G121 PolarHBondContact ND2-O 3.23Å
43	F	98.8	Very high	97.8	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-42.5	179.6	-166.9	-92.7	0	0	0	112.7	V13 F15 L31 T39 A40 E41 Q45 F46 C47 F60 L110 F124 F141	V13-F43 HydrophobicContact CG2-CD1 4.14Å; V13-F43 HydrophobicContact CG2-CE1 3.85Å; F15-F43 HydrophobicContact CE2-CE1 4.35Å; F15-F43 AromaticContact CE2-CZ 3.8Å; F15-F43 HydrophobicContact CE2-CZ 3.8Å; F15-F43 AromaticContact CZ-CE1 3.81Å; F15-F43 HydrophobicContact CZ-CE1 3.81Å; F15-F43 HydrophobicContact CZ-CE2 4.41Å; F15-F43 AromaticContact CZ-CZ 3.43Å; F15-F43 HydrophobicContact CZ-CZ 3.43Å; F15-F43 VanDerWaalsContact CZ-CZ 3.43Å; L31-F43 HydrophobicContact CD1-CB 4.47Å; L31-F43 HydrophobicContact CD1-CD1 4.04Å; L31-F43 HydrophobicContact CD2-CD1 3.65Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.4Å; T39-F43 PolarHBondContact O-N 2.87Å; T39-F43 VanDerWaalsContact O-N 3.16Å; A40-F43 PolarHBondContact O-N 3.06Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.69Å; F43-Q45 PolarHBondContact O-N 2.89Å; F43-F46 PolarHBondContact O-N 3.43Å; F43-C47 VanDerWaalsContact CD1-SG 3.56Å; F43-C47 WeakPolarHBondContact CE1-SG 3.41Å; F43-C47 PolarHBondContact O-N 2.86Å; F43-C47 PolarHBondContact O-SG 3.01Å; F43-F60 HydrophobicContact CD1-CE2 4.22Å; F43-F60 AromaticContact CD2-CE2 3.54Å; F43-F60 HydrophobicContact CD2-CE2 3.54Å; F43-F60 AromaticContact CD2-CZ 3.71Å; F43-F60 HydrophobicContact CD2-CZ 3.71Å; F43-F60 HydrophobicContact CE1-CE2 4.21Å; F43-F60 HydrophobicContact CE2-CD2 4.44Å; F43-F60 AromaticContact CE2-CE2 3.53Å; F43-F60 HydrophobicContact CE2-CE2 3.53Å; F43-F60 AromaticContact CE2-CZ 3.76Å; F43-F60 HydrophobicContact CE2-CZ 3.76Å; F43-F60 AromaticContact CG-CE2 3.92Å; F43-F60 HydrophobicContact CG-CE2 3.92Å; F43-F60 HydrophobicContact CG-CZ 4.45Å; F43-F60 HydrophobicContact CZ-CD2 4.44Å; F43-F60 AromaticContact CZ-CE2 3.89Å; F43-F60 HydrophobicContact CZ-CE2 3.89Å; F43-L110 HydrophobicContact CD1-CD2 4.29Å; F43-L110 HydrophobicContact CE1-CD2 3.83Å; F43-L110 HydrophobicContact CE2-CD1 4.29Å; F43-L110 HydrophobicContact CE2-CD2 4.05Å; F43-L110 HydrophobicContact CZ-CD1 4.2Å; F43-L110 HydrophobicContact CZ-CD2 3.68Å; F43-F124 HydrophobicContact CD2-CD1 4.42Å; F43-F124 HydrophobicContact CE2-CB 3.94Å; F43-F124 AromaticContact CE2-CD1 3.46Å; F43-F124 HydrophobicContact CE2-CD1 3.46Å; F43-F124 VanDerWaalsContact CE2-CD1 3.46Å; F43-F124 HydrophobicContact CE2-CD2 4.21Å; F43-F124 AromaticContact CE2-CE1 3.89Å; F43-F124 HydrophobicContact CE2-CE1 3.89Å; F43-F124 AromaticContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.18Å; F43-F124 HydrophobicContact CZ-CD2 4.48Å; F43-F124 HydrophobicContact CZ-CE1 4.2Å; F43-F124 HydrophobicContact CZ-CG 4.29Å; F43-F124 HydrophobicContact CZ-CZ 4.38Å; F43-F141 HydrophobicContact CB-CD2 4.31Å; F43-F141 HydrophobicContact CB-CE2 3.55Å; F43-F141 HydrophobicContact CB-CZ 4.22Å; F43-F141 AromaticContact CD1-CE2 4Å; F43-F141 HydrophobicContact CD1-CE2 4Å; F43-F141 AromaticContact CD2-CE2 3.44Å; F43-F141 HydrophobicContact CD2-CE2 3.44Å; F43-F141 VanDerWaalsContact CD2-CE2 3.44Å; F43-F141 AromaticContact CD2-CZ 3.35Å; F43-F141 HydrophobicContact CD2-CZ 3.35Å; F43-F141 HydrophobicContact CE2-CE2 4.02Å; F43-F141 AromaticContact CE2-CZ 3.71Å; F43-F141 HydrophobicContact CE2-CZ 3.71Å; F43-F141 AromaticContact CG-CE2 3.4Å; F43-F141 HydrophobicContact CG-CE2 3.4Å; F43-F141 AromaticContact CG-CZ 3.86Å; F43-F141 HydrophobicContact CG-CZ 3.86Å; F43-F141 HydrophobicContact CZ-CZ 4.49Å
44	R	98.8	Very high	97.5	Very high	22 Å²	22	52.4 Å²	52.4	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-48	179.4	-167.5	-162.8	68.4	73.8	6	111.1	V13 L31 A40 E41 F46 C47 T48 E50 E176	V13-R44 HydrophobicContact CG1-CB 4.44Å; V13-R44 HydrophobicContact CG1-CG 3.99Å; L31-R44 HydrophobicContact CD1-CB 3.79Å; L31-R44 HydrophobicContact CD1-CG 4.38Å; A40-R44 WeakPolarHBondContact O-CB 3.3Å; A40-R44 PolarHBondContact O-N 2.97Å; E41-R44 PolarHBondContact O-N 3.27Å; E41-R44 IonicContact OE1-CZ 3.72Å; E41-R44 IonicContact OE1-NE 3.91Å; E41-R44 IonicContact OE1-NH2 2.84Å; E41-R44 PolarHBondContact OE1-NH2 2.92Å; E41-R44 IonicContact OE2-CZ 3.63Å; E41-R44 IonicContact OE2-NE 3.46Å; E41-R44 PolarHBondContact OE2-NE 3.39Å; E41-R44 IonicContact OE2-NH2 3.49Å; E41-R44 PolarHBondContact OE2-NH2 2.82Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.88Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.31Å; R44-C47 WeakPolarHBondContact O-CB 3.14Å; R44-C47 PolarHBondContact O-N 2.81Å; R44-T48 PolarHBondContact O-N 3.28Å; R44-T48 PolarHBondContact O-OG1 3.21Å; R44-E50 IonicContact CZ-OE1 3.74Å; R44-E50 IonicContact CZ-OE2 3.52Å; R44-E50 IonicContact NH1-OE1 2.7Å; R44-E50 PolarHBondContact NH1-OE1 2.91Å; R44-E50 IonicContact NH1-OE2 3.28Å; R44-E50 PolarHBondContact NH1-OE2 3.41Å; R44-E50 IonicContact NH2-OE1 3.66Å; R44-E50 IonicContact NH2-OE2 2.71Å; R44-E50 PolarHBondContact NH2-OE2 2.8Å; R44-E176 VanDerWaalsContact CD-OE2 3.29Å; R44-E176 WeakPolarHBondContact CD-OE2 3.4Å; R44-E176 IonicContact CZ-OE2 2.84Å; R44-E176 IonicContact NE-OE2 3.7Å; R44-E176 IonicContact NH1-OE2 2.9Å; R44-E176 PolarHBondContact NH1-OE2 2.71Å
45	Q	98.7	Very high	97.2	Very high	36 Å²	36	50.5 Å²	50.5	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-33.8	179.1	-72.9	-164.7	27.4	0	0	113.3	E41 F43 C47 T48 G49 E50 F51 I90	E41-Q45 WeakPolarHBondContact O-CG 3.37Å; E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.34Å; E41-Q45 PolarHBondContact OE1-NE2 3.05Å; F43-Q45 PolarHBondContact O-N 2.89Å; Q45-C47 VanDerWaalsContact C-N 3.34Å; Q45-T48 PolarHBondContact O-N 2.7Å; Q45-T48 PolarHBondContact O-OG1 2.96Å; Q45-G49 WeakPolarHBondContact O-CA 3.24Å; Q45-G49 PolarHBondContact O-N 3.14Å; Q45-E50 HydrophobicContact CG-CB 4.43Å; Q45-E50 PolarHBondContact O-N 2.87Å; Q45-F51 HydrophobicContact CB-CB 4.25Å; Q45-I90 HydrophobicContact CB-CG2 3.89Å; Q45-I90 HydrophobicContact CG-CD1 4.43Å
46	F	98.6	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-74.3	-23.8	172.6	-67.6	-37.7	0	0	0	113.2	N42 F43 R44 F51 I58 G59 F60 F79 I90 C122	N42-F46 WeakPolarHBondContact O-CD2 3.39Å; N42-F46 PolarHBondContact O-N 2.79Å; N42-F46 VanDerWaalsContact OD1-CE2 3.26Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.44Å; F43-F46 PolarHBondContact O-N 3.43Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.88Å; F46-F51 HydrophobicContact CE1-CB 4.45Å; F46-F51 AromaticContact CE1-CD1 4Å; F46-F51 HydrophobicContact CE1-CD1 4Å; F46-F51 HydrophobicContact CE1-CG 4.43Å; F46-I58 HydrophobicContact CE1-CD1 4.27Å; F46-I58 HydrophobicContact CE1-CG1 4.26Å; F46-G59 CarbonylContact O-C 3.26Å; F46-G59 WeakPolarHBondContact O-CA 3.21Å; F46-F60 HydrophobicContact CB-CD1 4.38Å; F46-F60 HydrophobicContact CB-CD2 3.71Å; F46-F60 HydrophobicContact CB-CE1 4.1Å; F46-F60 HydrophobicContact CB-CE2 3.4Å; F46-F60 VanDerWaalsContact CB-CE2 3.4Å; F46-F60 HydrophobicContact CB-CG 4.2Å; F46-F60 HydrophobicContact CB-CZ 3.62Å; F46-F60 HydrophobicContact CD2-CE1 4.45Å; F46-F60 AromaticContact CD2-CZ 3.97Å; F46-F60 HydrophobicContact CD2-CZ 3.97Å; F46-F60 HydrophobicContact CG-CE2 4.45Å; F46-F60 HydrophobicContact CG-CZ 4.24Å; F46-F60 PolarHBondContact O-N 3.5Å; F46-F79 HydrophobicContact CB-CE1 4.29Å; F46-F79 AromaticContact CD1-CE1 3.88Å; F46-F79 HydrophobicContact CD1-CE1 3.88Å; F46-F79 AromaticContact CD1-CZ 3.74Å; F46-F79 HydrophobicContact CD1-CZ 3.74Å; F46-F79 AromaticContact CD2-CE1 3.96Å; F46-F79 HydrophobicContact CD2-CE1 3.96Å; F46-F79 HydrophobicContact CD2-CZ 4.18Å; F46-F79 HydrophobicContact CE1-CE1 4.16Å; F46-F79 HydrophobicContact CE1-CE2 4.5Å; F46-F79 AromaticContact CE1-CZ 3.56Å; F46-F79 HydrophobicContact CE1-CZ 3.56Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.01Å; F46-F79 AromaticContact CG-CE1 3.79Å; F46-F79 HydrophobicContact CG-CE1 3.79Å; F46-F79 HydrophobicContact CG-CZ 4.06Å; F46-F79 HydrophobicContact CZ-CE1 4.31Å; F46-F79 AromaticContact CZ-CZ 3.7Å; F46-F79 HydrophobicContact CZ-CZ 3.7Å; F46-I90 HydrophobicContact CD1-CG2 4.5Å; F46-I90 HydrophobicContact CE1-CG2 3.98Å; F46-I90 HydrophobicContact CE2-CG2 4.43Å; F46-I90 HydrophobicContact CZ-CG2 3.95Å; F46-C122 HydrophobicContact CD2-CB 4.24Å; F46-C122 HydrophobicContact CE2-CB 3.89Å
47	C	98.6	Very high	96.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-42.3	169.1	-63.1	0	0	0	0	111.4	V13 F43 R44 Q45 C174 G175	V13-C47 HydrophobicContact CB-CB 4.08Å; V13-C47 HydrophobicContact CG1-CB 4.01Å; F43-C47 VanDerWaalsContact CD1-SG 3.56Å; F43-C47 WeakPolarHBondContact CE1-SG 3.41Å; F43-C47 PolarHBondContact O-N 2.86Å; F43-C47 PolarHBondContact O-SG 3.01Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.31Å; R44-C47 WeakPolarHBondContact O-CB 3.14Å; R44-C47 PolarHBondContact O-N 2.81Å; Q45-C47 VanDerWaalsContact C-N 3.34Å; C47-C174 CarbonylContact O-C 3.54Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.9Å; C47-G175 WeakPolarHBondContact O-CA 3.42Å; C47-G175 PolarHBondContact O-N 3.49Å
48	T	98.5	Very high	96.6	Very high	45 Å²	45	54.8 Å²	54.8	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-84.8	-22.8	-175.2	59.4	0	0	0	0	114	R44 Q45 E50 E176	R44-T48 PolarHBondContact O-N 3.28Å; R44-T48 PolarHBondContact O-OG1 3.21Å; Q45-T48 PolarHBondContact O-N 2.7Å; Q45-T48 PolarHBondContact O-OG1 2.96Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 VanDerWaalsContact OG1-CG 3.32Å; T48-E50 WeakPolarHBondContact OG1-CG 3.38Å; T48-E50 PolarHBondContact OG1-N 2.9Å; T48-E50 PolarHBondContact OG1-OE1 3.03Å; T48-E176 HydrophobicContact CG2-CB 3.71Å
49	G	96.9	Very high	96.6	Very high	20 Å²	20	49.1 Å²	49.1	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	19.1	-173.1	0	0	0	0	0	113.4	Q45 F51 P57	Q45-G49 WeakPolarHBondContact O-CA 3.24Å; Q45-G49 PolarHBondContact O-N 3.14Å; G49-F51 VanDerWaalsContact C-N 3.29Å; G49-P57 WeakPolarHBondContact O-CB 3.33Å
50	E	97.6	Very high	96.6	Very high	106 Å²	106	49.1 Å²	49.1	50%	0.495	26%	0.263	S	S	.	.			trans	-64.6	-35.8	174.4	-78.8	170.1	-152.4	0	0	111.9	R44 Q45 T48 R52	R44-E50 IonicContact CZ-OE1 3.74Å; R44-E50 IonicContact CZ-OE2 3.52Å; R44-E50 IonicContact NH1-OE1 2.7Å; R44-E50 PolarHBondContact NH1-OE1 2.91Å; R44-E50 IonicContact NH1-OE2 3.28Å; R44-E50 PolarHBondContact NH1-OE2 3.41Å; R44-E50 IonicContact NH2-OE1 3.66Å; R44-E50 IonicContact NH2-OE2 2.71Å; R44-E50 PolarHBondContact NH2-OE2 2.8Å; Q45-E50 HydrophobicContact CG-CB 4.43Å; Q45-E50 PolarHBondContact O-N 2.87Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 VanDerWaalsContact OG1-CG 3.32Å; T48-E50 WeakPolarHBondContact OG1-CG 3.38Å; T48-E50 PolarHBondContact OG1-N 2.9Å; T48-E50 PolarHBondContact OG1-OE1 3.03Å; E50-R52 PolarHBondContact O-N 2.81Å
51	F	96.8	Very high	96.6	Very high	43 Å²	43	55.3 Å²	55.3	19%	0.189	29%	0.289	C	S	.	.			trans	-72.5	127.5	175.2	-171.1	-98.5	0	0	0	110.5	Q45 F46 G49 I58 I90	Q45-F51 HydrophobicContact CB-CB 4.25Å; F46-F51 HydrophobicContact CE1-CB 4.45Å; F46-F51 AromaticContact CE1-CD1 4Å; F46-F51 HydrophobicContact CE1-CD1 4Å; F46-F51 HydrophobicContact CE1-CG 4.43Å; G49-F51 VanDerWaalsContact C-N 3.29Å; F51-I58 HydrophobicContact CD1-CD1 3.62Å; F51-I58 HydrophobicContact CD1-CG1 3.59Å; F51-I58 HydrophobicContact CE1-CD1 3.68Å; F51-I58 HydrophobicContact CE1-CG1 4.16Å; F51-I58 PolarHBondContact O-N 3.28Å; F51-I58 VanDerWaalsContact O-N 3.08Å; F51-I90 HydrophobicContact CB-CG2 3.86Å; F51-I90 HydrophobicContact CD1-CG2 4.45Å; F51-I90 HydrophobicContact CD2-CB 3.72Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.02Å; F51-I90 HydrophobicContact CE2-CG2 4.43Å; F51-I90 WeakPolarHBondContact CE2-O 3.17Å; F51-I90 HydrophobicContact CG-CB 4.24Å; F51-I90 HydrophobicContact CG-CG2 3.76Å
52	R	95.6	Very high	96.5	Very high	161 Å²	161	54.8 Å²	54.8	61%	0.608	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.8	-179.7	-62.9	-174.7	176.8	-157.4	4.1	111.1	E50 V56 P57	E50-R52 PolarHBondContact O-N 2.81Å; R52-V56 CarbonylContact C-O 3.55Å; R52-V56 VanDerWaalsContact CA-O 3.25Å; R52-V56 WeakPolarHBondContact CA-O 3.45Å; R52-P57 HydrophobicContact CG-CG 4.41Å
53	K	91.1	Very high	96.4	Very high	126 Å²	126	55 Å²	55	55%	0.548	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	169.1	-174.2	177.1	178.5	-174.9	0	108.2	G55 V56 I58	K53-G55 PolarHBondContact O-N 2.99Å; K53-V56 PolarHBondContact N-O 2.87Å; K53-V56 PolarHBondContact O-N 3.38Å; K53-I58 HydrophobicContact CB-CD1 4.01Å; K53-I58 HydrophobicContact CB-CG2 4.09Å
54	D	91.8	Very high	96.4	Very high	152 Å²	152	56.9 Å²	56.9	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.7	-177.3	-52	-44.6	0	0	0	113.2	V56	D54-V56 PolarHBondContact O-N 3.09Å
55	G	91.8	Very high	96.3	Very high	50 Å²	50	56 Å²	56	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-7.8	-179.1	0	0	0	0	0	115.2	K53	K53-G55 PolarHBondContact O-N 2.99Å
56	V	92.2	Very high	96.3	Very high	89 Å²	89	55.1 Å²	55.1	54%	0.539	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.6	-178.7	-175	0	0	0	0	110.2	R52 K53 D54 I58	R52-V56 CarbonylContact C-O 3.55Å; R52-V56 VanDerWaalsContact CA-O 3.25Å; R52-V56 WeakPolarHBondContact CA-O 3.45Å; K53-V56 PolarHBondContact N-O 2.87Å; K53-V56 PolarHBondContact O-N 3.38Å; D54-V56 PolarHBondContact O-N 3.09Å; V56-I58 PolarHBondContact O-N 3.41Å
57	P	94.8	Very high	96.3	Very high	70 Å²	70	60 Å²	60	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	130.2	169.8	-25.9	36	0	0	0	111.4	G49 R52	G49-P57 WeakPolarHBondContact O-CB 3.33Å; R52-P57 HydrophobicContact CG-CG 4.41Å
58	I	95.4	Very high	96.3	Very high	34 Å²	34	60 Å²	60	17%	0.174	32%	0.324	C	S	.	.			trans	-121.2	146.8	172.2	66.2	169.3	0	0	0	109.8	F46 F51 K53 V56 F79	F46-I58 HydrophobicContact CE1-CD1 4.27Å; F46-I58 HydrophobicContact CE1-CG1 4.26Å; F51-I58 HydrophobicContact CD1-CD1 3.62Å; F51-I58 HydrophobicContact CD1-CG1 3.59Å; F51-I58 HydrophobicContact CE1-CD1 3.68Å; F51-I58 HydrophobicContact CE1-CG1 4.16Å; F51-I58 PolarHBondContact O-N 3.28Å; F51-I58 VanDerWaalsContact O-N 3.08Å; K53-I58 HydrophobicContact CB-CD1 4.01Å; K53-I58 HydrophobicContact CB-CG2 4.09Å; V56-I58 PolarHBondContact O-N 3.41Å; I58-F79 HydrophobicContact CB-CE2 4.43Å; I58-F79 HydrophobicContact CD1-CE2 4.03Å; I58-F79 HydrophobicContact CG1-CE2 4.48Å
59	G	97.4	Very high	96.3	Very high	13 Å²	13	59.3 Å²	59.3	13%	0.134	32%	0.318	C	S	.	.	S	Bend	trans	168.1	-164.4	-176.2	0	0	0	0	0	113.3	F46 K61 F79	F46-G59 CarbonylContact O-C 3.26Å; F46-G59 WeakPolarHBondContact O-CA 3.21Å; G59-K61 VanDerWaalsContact C-N 3.34Å; G59-K61 PolarHBondContact O-N 2.83Å; G59-F79 VanDerWaalsContact O-CB 3.29Å; G59-F79 WeakPolarHBondContact O-CB 3.31Å; G59-F79 WeakPolarHBondContact O-CD1 3.43Å; G59-F79 WeakPolarHBondContact O-CG 3.42Å
60	F	98.6	Very high	96.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-80.3	-11.9	-170.5	-60.9	-47.3	0	0	0	114.6	F15 F43 F46 G62 C63 F79 C122 F124 I171	F15-F60 HydrophobicContact CE1-CB 4.03Å; F15-F60 AromaticContact CE1-CD2 3.91Å; F15-F60 HydrophobicContact CE1-CD2 3.91Å; F15-F60 HydrophobicContact CE1-CG 4.3Å; F15-F60 HydrophobicContact CZ-CB 4.4Å; F15-F60 AromaticContact CZ-CD2 3.82Å; F15-F60 HydrophobicContact CZ-CD2 3.82Å; F15-F60 HydrophobicContact CZ-CE2 4.42Å; F15-F60 HydrophobicContact CZ-CG 4.28Å; F43-F60 HydrophobicContact CD1-CE2 4.22Å; F43-F60 AromaticContact CD2-CE2 3.54Å; F43-F60 HydrophobicContact CD2-CE2 3.54Å; F43-F60 AromaticContact CD2-CZ 3.71Å; F43-F60 HydrophobicContact CD2-CZ 3.71Å; F43-F60 HydrophobicContact CE1-CE2 4.21Å; F43-F60 HydrophobicContact CE2-CD2 4.44Å; F43-F60 AromaticContact CE2-CE2 3.53Å; F43-F60 HydrophobicContact CE2-CE2 3.53Å; F43-F60 AromaticContact CE2-CZ 3.76Å; F43-F60 HydrophobicContact CE2-CZ 3.76Å; F43-F60 AromaticContact CG-CE2 3.92Å; F43-F60 HydrophobicContact CG-CE2 3.92Å; F43-F60 HydrophobicContact CG-CZ 4.45Å; F43-F60 HydrophobicContact CZ-CD2 4.44Å; F43-F60 AromaticContact CZ-CE2 3.89Å; F43-F60 HydrophobicContact CZ-CE2 3.89Å; F46-F60 HydrophobicContact CB-CD1 4.38Å; F46-F60 HydrophobicContact CB-CD2 3.71Å; F46-F60 HydrophobicContact CB-CE1 4.1Å; F46-F60 HydrophobicContact CB-CE2 3.4Å; F46-F60 VanDerWaalsContact CB-CE2 3.4Å; F46-F60 HydrophobicContact CB-CG 4.2Å; F46-F60 HydrophobicContact CB-CZ 3.62Å; F46-F60 HydrophobicContact CD2-CE1 4.45Å; F46-F60 AromaticContact CD2-CZ 3.97Å; F46-F60 HydrophobicContact CD2-CZ 3.97Å; F46-F60 HydrophobicContact CG-CE2 4.45Å; F46-F60 HydrophobicContact CG-CZ 4.24Å; F46-F60 PolarHBondContact O-N 3.5Å; F60-G62 PolarHBondContact O-N 3.31Å; F60-C63 WeakPolarHBondContact O-CB 3.37Å; F60-C63 PolarHBondContact O-N 3.37Å; F60-F79 AromaticContact CD1-CD1 3.77Å; F60-F79 HydrophobicContact CD1-CD1 3.77Å; F60-F79 HydrophobicContact CD1-CE1 4.08Å; F60-F79 AromaticContact CE1-CD1 3.95Å; F60-F79 HydrophobicContact CE1-CD1 3.95Å; F60-F79 AromaticContact CE1-CE1 3.85Å; F60-F79 HydrophobicContact CE1-CE1 3.85Å; F60-C122 HydrophobicContact CE1-CB 4.49Å; F60-C122 VanDerWaalsContact CE1-O 3.23Å; F60-C122 WeakPolarHBondContact CE1-O 3.48Å; F60-C122 WeakPolarHBondContact CZ-O 3.29Å; F60-F124 HydrophobicContact CD1-CE1 4.19Å; F60-F124 HydrophobicContact CE1-CD1 4.12Å; F60-F124 HydrophobicContact CE1-CE1 4.04Å; F60-F124 HydrophobicContact CZ-CD1 4.1Å; F60-F124 HydrophobicContact CZ-CE1 4.22Å; F60-I171 HydrophobicContact CB-CD1 4.04Å; F60-I171 WeakPolarHBondContact O-CB 3.23Å
61	K	98.3	Very high	96.3	Very high	132 Å²	132	63.2 Å²	63.2	57%	0.574	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	122.4	177.8	-172.9	177.6	-176.5	170.4	0	110.5	G59 C63 C174	G59-K61 VanDerWaalsContact C-N 3.34Å; G59-K61 PolarHBondContact O-N 2.83Å; K61-C63 VanDerWaalsContact C-N 3.26Å; K61-C63 PolarHBondContact O-N 2.93Å; K61-C174 PolarHBondContact N-SG 2.76Å
62	G	97.2	Very high	96.4	Very high	48 Å²	48	63.5 Å²	63.5	50%	0.495	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-2.4	-175.7	0	0	0	0	0	114.5	F60 I171	F60-G62 PolarHBondContact O-N 3.31Å; G62-I171 PolarHBondContact N-O 3.04Å
63	C	97.1	Very high	96.5	Very high	6 Å²	6	56 Å²	56	4%	0.041	31%	0.306	C	S	.	.			trans	-72.7	157.5	175.6	-170.7	0	0	0	0	111.1	F60 K61 G77 D78 F79 L170 I171	F60-C63 WeakPolarHBondContact O-CB 3.37Å; F60-C63 PolarHBondContact O-N 3.37Å; K61-C63 VanDerWaalsContact C-N 3.26Å; K61-C63 PolarHBondContact O-N 2.93Å; C63-G77 WeakPolarHBondContact SG-CA 3.42Å; C63-G77 PolarHBondContact SG-N 2.91Å; C63-D78 PolarHBondContact SG-N 3.3Å; C63-D78 VanDerWaalsContact SG-N 3.37Å; C63-D78 PolarHBondContact SG-O 2.74Å; C63-D78 VanDerWaalsContact SG-O 3.4Å; C63-F79 HydrophobicContact CB-CB 4.27Å; C63-L170 WeakPolarHBondContact O-CA 3.24Å; C63-I171 PolarHBondContact O-N 3.12Å
64	T	97.7	Very high	96.9	Very high	39 Å²	39	50 Å²	50	24%	0.239	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-112.7	156.3	-179	66.2	0	0	0	0	113.1	H66 G76 I169 L170	T64-H66 PolarHBondContact O-N 2.6Å; T64-G76 WeakPolarHBondContact O-CA 3.39Å; T64-I169 CarbonylContact C-O 3.53Å; T64-I169 WeakPolarHBondContact CA-O 3.47Å; T64-I169 WeakPolarHBondContact CB-O 3.5Å; T64-L170 HydrophobicContact CG2-CD2 3.71Å; T64-L170 HydrophobicContact CG2-CG 4Å
65	F	98.4	Very high	97.2	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.013	25%	0.247	C	C	.	.			trans	-81.5	98.4	159.1	-69.8	-95.2	0	0	0	108.4	I17 V68 I74 Q75 F124 I154 P165 I169 I171	I17-F65 HydrophobicContact CD1-CE2 3.85Å; F65-V68 HydrophobicContact CB-CG2 4.46Å; F65-I74 HydrophobicContact CD1-CB 4.09Å; F65-I74 HydrophobicContact CD1-CD1 4.3Å; F65-I74 HydrophobicContact CD1-CG1 4.29Å; F65-I74 HydrophobicContact CE1-CB 4.44Å; F65-I74 HydrophobicContact CE1-CD1 3.94Å; F65-I74 HydrophobicContact CE1-CG1 4.13Å; F65-Q75 CarbonylContact C-O 3.59Å; F65-Q75 WeakPolarHBondContact CA-O 3.34Å; F65-F124 AromaticContact CE1-CE2 3.88Å; F65-F124 HydrophobicContact CE1-CE2 3.88Å; F65-F124 HydrophobicContact CE1-CZ 4.19Å; F65-F124 HydrophobicContact CZ-CE2 4.1Å; F65-F124 HydrophobicContact CZ-CZ 4.11Å; F65-I154 HydrophobicContact CE2-CD1 4.29Å; F65-I154 HydrophobicContact CZ-CD1 4.47Å; F65-P165 WeakPolarHBondContact O-CG 3.4Å; F65-I169 HydrophobicContact CB-CB 4.14Å; F65-I169 HydrophobicContact CB-CG2 4.17Å; F65-I169 HydrophobicContact CD2-CB 4.42Å; F65-I169 HydrophobicContact CD2-CG2 3.68Å; F65-I169 HydrophobicContact CG-CG2 4.25Å; F65-I169 PolarHBondContact N-O 3.18Å; F65-I171 HydrophobicContact CE2-CD1 4.22Å; F65-I171 HydrophobicContact CE2-CG1 3.89Å
66	H	97.9	Very high	97.5	Very high	19 Å²	19	41.7 Å²	41.7	9%	0.088	22%	0.223	C	C	.	.			trans	-81.5	-15.2	-173	59.3	-93	0	0	0	113.2	T64 Q75 G84 Q123	T64-H66 PolarHBondContact O-N 2.6Å; H66-Q75 PolarHBondContact N-O 2.81Å; H66-Q75 VanDerWaalsContact N-O 3.09Å; H66-Q75 PolarHBondContact NE2-NE2 2.87Å; H66-G84 WeakPolarHBondContact NE2-CA 3.47Å; H66-Q123 PolarHBondContact CE1-OE1 3.32Å; H66-Q123 VanDerWaalsContact CE1-OE1 3.31Å; H66-Q123 PolarHBondContact NE2-OE1 3.21Å
67	R	98.3	Very high	97.8	Very high	102 Å²	102	37.5 Å²	37.5	39%	0.385	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.7	-179.7	-168.3	-178.5	-174	-151	1.3	111.4	I69 M73 Q75 N163	R67-I69 HydrophobicContact CG-CG1 4.47Å; R67-M73 HydrophobicContact CG-CE 4Å; R67-Q75 HydrophobicContact CB-CB 4.29Å; R67-Q75 PolarHBondContact N-O 2.79Å; R67-Q75 PolarHBondContact O-N 3.46Å; R67-N163 HydrophobicContact CG-CB 4.32Å
68	V	98.6	Very high	97.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.8	-177.2	167.9	0	0	0	0	109	F65 I74 I154 T159 N163 P165 I169	F65-V68 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CB-CG2 4.38Å; V68-I74 HydrophobicContact CG1-CG2 4Å; V68-I74 HydrophobicContact CG2-CB 4.41Å; V68-I74 HydrophobicContact CG2-CG2 4.04Å; V68-I154 WeakPolarHBondContact CG1-O 3.26Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; V68-T159 HydrophobicContact CB-CG2 4.05Å; V68-T159 HydrophobicContact CG1-CG2 4.25Å; V68-T159 WeakPolarHBondContact O-CG2 3.36Å; V68-N163 PolarHBondContact N-O 2.98Å; V68-N163 WeakPolarHBondContact O-CB 3.43Å; V68-P165 HydrophobicContact CB-CG 3.96Å; V68-P165 HydrophobicContact CG2-CG 3.5Å; V68-P165 VanDerWaalsContact CG2-CG 3.5Å; V68-I169 HydrophobicContact CG2-CD1 4Å
69	I	98.4	Very high	97.9	Very high	30 Å²	30	35 Å²	35	15%	0.154	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.2	178.7	-55.3	178.6	0	0	0	107.8	R67 F72 M73 N163	R67-I69 HydrophobicContact CG-CG1 4.47Å; I69-F72 HydrophobicContact CB-CB 4.03Å; I69-F72 HydrophobicContact CB-CD1 4.04Å; I69-F72 HydrophobicContact CD1-CD1 3.89Å; I69-F72 HydrophobicContact CD1-CE1 4.33Å; I69-F72 HydrophobicContact CG2-CB 3.74Å; I69-F72 HydrophobicContact CG2-CD1 4.02Å; I69-F72 HydrophobicContact CG2-CG 4.4Å; I69-F72 PolarHBondContact O-N 2.87Å; I69-M73 HydrophobicContact CB-CE 4.1Å; I69-M73 HydrophobicContact CD1-CE 3.57Å; I69-M73 HydrophobicContact CG1-CE 3.63Å; I69-M73 PolarHBondContact N-O 2.86Å; I69-M73 PolarHBondContact O-N 3.34Å; I69-N163 HydrophobicContact CD1-CB 4.37Å; I69-N163 HydrophobicContact CG1-CB 3.66Å
70	K	98	Very high	97.8	Very high	105 Å²	105	37.7 Å²	37.7	46%	0.457	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	139.3	176.3	-172.8	-177.4	167.7	61.5	0	110.4	F72 E155 N156	K70-F72 PolarHBondContact O-N 2.91Å; K70-E155 HydrophobicContact CB-CG 4.38Å; K70-E155 HydrophobicContact CG-CG 4.18Å; K70-N156 PolarHBondContact NZ-OD1 2.81Å
71	D	97.1	Very high	97.7	Very high	104 Å²	104	42.2 Å²	42.2	56%	0.556	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.4	-177.5	-52.1	-52.3	0	0	0	113.5	T129 E155	D71-T129 WeakPolarHBondContact O-CG2 3.35Å; D71-E155 PolarHBondContact N-OE1 3.08Å
72	F	98.3	Very high	97.5	Very high	48 Å²	48	37.3 Å²	37.3	21%	0.211	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-76.1	173.7	179.7	-148	0	0	0	112.3	I69 K70 C128 C131 W133 L134	I69-F72 HydrophobicContact CB-CB 4.03Å; I69-F72 HydrophobicContact CB-CD1 4.04Å; I69-F72 HydrophobicContact CD1-CD1 3.89Å; I69-F72 HydrophobicContact CD1-CE1 4.33Å; I69-F72 HydrophobicContact CG2-CB 3.74Å; I69-F72 HydrophobicContact CG2-CD1 4.02Å; I69-F72 HydrophobicContact CG2-CG 4.4Å; I69-F72 PolarHBondContact O-N 2.87Å; K70-F72 PolarHBondContact O-N 2.91Å; F72-C128 PolarHBondContact O-N 2.84Å; F72-C131 HydrophobicContact CE2-CB 4.47Å; F72-W133 AromaticContact CD2-CZ2 3.76Å; F72-W133 HydrophobicContact CD2-CZ2 3.76Å; F72-W133 AromaticContact CE2-CZ2 3.65Å; F72-W133 HydrophobicContact CE2-CZ2 3.65Å; F72-W133 AromaticContact CE2-NE1 3.78Å; F72-L134 HydrophobicContact CE2-CD1 3.9Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å
73	M	98.4	Very high	97.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	161.3	-174.1	65	84.5	-138.5	0	0	113.3	R67 I69 Q75 F125 I126	R67-M73 HydrophobicContact CG-CE 4Å; I69-M73 HydrophobicContact CB-CE 4.1Å; I69-M73 HydrophobicContact CD1-CE 3.57Å; I69-M73 HydrophobicContact CG1-CE 3.63Å; I69-M73 PolarHBondContact N-O 2.86Å; I69-M73 PolarHBondContact O-N 3.34Å; M73-Q75 HydrophobicContact CE-CB 4.21Å; M73-Q75 HydrophobicContact SD-CB 3.63Å; M73-F125 HydrophobicContact CB-CB 4.36Å; M73-F125 HydrophobicContact CB-CD2 3.93Å; M73-F125 HydrophobicContact CB-CG 4.5Å; M73-F125 HydrophobicContact CG-CB 4.5Å; M73-F125 HydrophobicContact CG-CD2 4.39Å; M73-F125 HydrophobicContact SD-CB 3.89Å; M73-I126 VanDerWaalsContact CA-O 3.27Å; M73-I126 WeakPolarHBondContact CA-O 3.39Å; M73-I126 WeakPolarHBondContact CB-O 3.38Å
74	I	98.7	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.9	169.3	57.4	171.1	0	0	0	109.2	F65 V68 F125 I126 M151 I154 E155	F65-I74 HydrophobicContact CD1-CB 4.09Å; F65-I74 HydrophobicContact CD1-CD1 4.3Å; F65-I74 HydrophobicContact CD1-CG1 4.29Å; F65-I74 HydrophobicContact CE1-CB 4.44Å; F65-I74 HydrophobicContact CE1-CD1 3.94Å; F65-I74 HydrophobicContact CE1-CG1 4.13Å; V68-I74 HydrophobicContact CB-CG2 4.38Å; V68-I74 HydrophobicContact CG1-CG2 4Å; V68-I74 HydrophobicContact CG2-CB 4.41Å; V68-I74 HydrophobicContact CG2-CG2 4.04Å; I74-F125 CarbonylContact O-C 2.89Å; I74-F125 WeakPolarHBondContact O-CA 3.47Å; I74-F125 WeakPolarHBondContact O-CB 3.34Å; I74-I126 HydrophobicContact CD1-CB 4.18Å; I74-I126 HydrophobicContact CD1-CD1 4.27Å; I74-I126 HydrophobicContact CG1-CB 3.78Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 2.83Å; I74-I126 PolarHBondContact O-N 3.31Å; I74-M151 HydrophobicContact CD1-CB 4.37Å; I74-M151 HydrophobicContact CD1-CG 3.68Å; I74-M151 HydrophobicContact CG1-CG 4.41Å; I74-I154 HydrophobicContact CB-CG2 4.06Å; I74-I154 HydrophobicContact CD1-CB 4.11Å; I74-I154 HydrophobicContact CD1-CD1 3.99Å; I74-I154 HydrophobicContact CD1-CG2 3.77Å; I74-I154 HydrophobicContact CG2-CG2 3.72Å; I74-E155 HydrophobicContact CG2-CB 4.45Å
75	Q	98.7	Very high	97	Very high	28 Å²	28	42.9 Å²	42.9	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.5	-175	180	-178.5	-12.5	0	0	111.1	F65 H66 R67 M73 A113 F124 F125	F65-Q75 CarbonylContact C-O 3.59Å; F65-Q75 WeakPolarHBondContact CA-O 3.34Å; H66-Q75 PolarHBondContact N-O 2.81Å; H66-Q75 VanDerWaalsContact N-O 3.09Å; H66-Q75 PolarHBondContact NE2-NE2 2.87Å; R67-Q75 HydrophobicContact CB-CB 4.29Å; R67-Q75 PolarHBondContact N-O 2.79Å; R67-Q75 PolarHBondContact O-N 3.46Å; M73-Q75 HydrophobicContact CE-CB 4.21Å; M73-Q75 HydrophobicContact SD-CB 3.63Å; Q75-A113 HydrophobicContact CG-CB 4.44Å; Q75-F124 WeakPolarHBondContact CA-O 3.44Å; Q75-F124 WeakPolarHBondContact CG-O 2.88Å; Q75-F125 HydrophobicContact CB-CB 4.04Å; Q75-F125 HydrophobicContact CG-CB 4.44Å
76	G	98.4	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-160.2	-179	0	0	0	0	0	111.8	T64 D78 Q123 F124	T64-G76 WeakPolarHBondContact O-CA 3.39Å; G76-D78 VanDerWaalsContact C-N 3.34Å; G76-D78 PolarHBondContact O-N 2.92Å; G76-Q123 WeakPolarHBondContact O-CA 3.42Å; G76-F124 PolarHBondContact N-O 3.35Å; G76-F124 PolarHBondContact O-N 3.29Å; G76-F124 VanDerWaalsContact O-N 3.07Å
77	G	97.3	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.			trans	85.3	1	175.3	0	0	0	0	0	115.3	C63 F79 C122	C63-G77 WeakPolarHBondContact SG-CA 3.42Å; C63-G77 PolarHBondContact SG-N 2.91Å; G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 3.45Å; G77-C122 PolarHBondContact O-SG 2.89Å
78	D	97.8	Very high	96.6	Very high	2 Å²	2	42 Å²	42	1%	0.011	23%	0.233	C	C	.	.			trans	-78	82	169.8	-172.3	-4.8	0	0	0	110.6	C63 G76 V80 N81 G82 D83 G84 T85 G86 Q123	C63-D78 PolarHBondContact SG-N 3.3Å; C63-D78 VanDerWaalsContact SG-N 3.37Å; C63-D78 PolarHBondContact SG-O 2.74Å; C63-D78 VanDerWaalsContact SG-O 3.4Å; G76-D78 VanDerWaalsContact C-N 3.34Å; G76-D78 PolarHBondContact O-N 2.92Å; D78-V80 VanDerWaalsContact C-N 3.26Å; D78-V80 PolarHBondContact OD1-N 3.25Å; D78-N81 PolarHBondContact OD1-N 3.42Å; D78-G82 WeakPolarHBondContact O-CA 3.32Å; D78-G82 PolarHBondContact O-N 3.4Å; D78-G82 PolarHBondContact OD1-N 2.91Å; D78-G82 PolarHBondContact OD2-N 3.09Å; D78-D83 PolarHBondContact OD2-N 3.41Å; D78-G84 WeakPolarHBondContact OD2-CA 3.34Å; D78-G84 PolarHBondContact OD2-N 3.33Å; D78-T85 PolarHBondContact OD2-N 3Å; D78-G86 WeakPolarHBondContact OD1-CA 3.47Å; D78-G86 PolarHBondContact OD2-N 3.07Å; D78-Q123 HydrophobicContact CB-CG 3.82Å
79	F	96.3	Very high	96.5	Very high	49 Å²	49	41.9 Å²	41.9	22%	0.215	23%	0.233	C	C	.	.			trans	-84	1.3	172.2	55.7	-107.9	0	0	0	113.2	F46 I58 G59 F60 C63 G77 C88 C122	F46-F79 HydrophobicContact CB-CE1 4.29Å; F46-F79 AromaticContact CD1-CE1 3.88Å; F46-F79 HydrophobicContact CD1-CE1 3.88Å; F46-F79 AromaticContact CD1-CZ 3.74Å; F46-F79 HydrophobicContact CD1-CZ 3.74Å; F46-F79 AromaticContact CD2-CE1 3.96Å; F46-F79 HydrophobicContact CD2-CE1 3.96Å; F46-F79 HydrophobicContact CD2-CZ 4.18Å; F46-F79 HydrophobicContact CE1-CE1 4.16Å; F46-F79 HydrophobicContact CE1-CE2 4.5Å; F46-F79 AromaticContact CE1-CZ 3.56Å; F46-F79 HydrophobicContact CE1-CZ 3.56Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.01Å; F46-F79 AromaticContact CG-CE1 3.79Å; F46-F79 HydrophobicContact CG-CE1 3.79Å; F46-F79 HydrophobicContact CG-CZ 4.06Å; F46-F79 HydrophobicContact CZ-CE1 4.31Å; F46-F79 AromaticContact CZ-CZ 3.7Å; F46-F79 HydrophobicContact CZ-CZ 3.7Å; I58-F79 HydrophobicContact CB-CE2 4.43Å; I58-F79 HydrophobicContact CD1-CE2 4.03Å; I58-F79 HydrophobicContact CG1-CE2 4.48Å; G59-F79 VanDerWaalsContact O-CB 3.29Å; G59-F79 WeakPolarHBondContact O-CB 3.31Å; G59-F79 WeakPolarHBondContact O-CD1 3.43Å; G59-F79 WeakPolarHBondContact O-CG 3.42Å; F60-F79 AromaticContact CD1-CD1 3.77Å; F60-F79 HydrophobicContact CD1-CD1 3.77Å; F60-F79 HydrophobicContact CD1-CE1 4.08Å; F60-F79 AromaticContact CE1-CD1 3.95Å; F60-F79 HydrophobicContact CE1-CD1 3.95Å; F60-F79 AromaticContact CE1-CE1 3.85Å; F60-F79 HydrophobicContact CE1-CE1 3.85Å; C63-F79 HydrophobicContact CB-CB 4.27Å; G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 3.45Å; F79-C88 HydrophobicContact CE2-CB 3.86Å; F79-C88 HydrophobicContact CZ-CB 3.99Å; F79-C122 HydrophobicContact CD1-CB 4.18Å; F79-C122 HydrophobicContact CE1-CB 3.35Å; F79-C122 HydrophobicContact CE2-CB 4.42Å; F79-C122 HydrophobicContact CZ-CB 3.48Å; F79-C122 VanDerWaalsContact CZ-CB 3.48Å
80	V	95.4	Very high	96.5	Very high	71 Å²	71	41.5 Å²	41.5	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-90.5	-53.5	-178.7	-176.7	0	0	0	0	109.7	D78 C88	D78-V80 VanDerWaalsContact C-N 3.26Å; D78-V80 PolarHBondContact OD1-N 3.25Å; V80-C88 HydrophobicContact CG2-CB 3.73Å
81	N	95.7	Very high	96.5	Very high	94 Å²	94	41.2 Å²	41.2	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	-119.6	-23.1	-177.3	-65.1	-18.3	0	0	0	113	D78 D83 T85	D78-N81 PolarHBondContact OD1-N 3.42Å; N81-D83 WeakPolarHBondContact CB-OD1 3.46Å; N81-D83 PolarHBondContact O-N 2.95Å; N81-T85 PolarHBondContact ND2-OG1 3.1Å
82	G	93.1	Very high	96.1	Very high	29 Å²	29	47.5 Å²	47.5	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	70.2	14.4	179.2	0	0	0	0	0	115.1	D78	D78-G82 WeakPolarHBondContact O-CA 3.32Å; D78-G82 PolarHBondContact O-N 3.4Å; D78-G82 PolarHBondContact OD1-N 2.91Å; D78-G82 PolarHBondContact OD2-N 3.09Å
83	D	92.9	Very high	95.7	Very high	97 Å²	97	46.4 Å²	46.4	52%	0.519	25%	0.246	S	C	.	.	S	Bend	trans	-126.8	-0.9	-175	68.1	1.9	0	0	0	113.9	D78 N81 T85	D78-D83 PolarHBondContact OD2-N 3.41Å; N81-D83 WeakPolarHBondContact CB-OD1 3.46Å; N81-D83 PolarHBondContact O-N 2.95Å; D83-T85 WeakPolarHBondContact OD1-CB 3.39Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.33Å; D83-T85 PolarHBondContact OD1-N 3.14Å; D83-T85 PolarHBondContact OD1-OG1 2.89Å
84	G	93.8	Very high	95.6	Very high	25 Å²	25	50 Å²	50	26%	0.258	27%	0.269	S	S	.	.	S	Bend	trans	96.3	1.3	-179.6	0	0	0	0	0	113.8	H66 D78 Q123	H66-G84 WeakPolarHBondContact NE2-CA 3.47Å; D78-G84 WeakPolarHBondContact OD2-CA 3.34Å; D78-G84 PolarHBondContact OD2-N 3.33Å; G84-Q123 PolarHBondContact O-NE2 3.26Å
85	T	95	Very high	95.6	Very high	89 Å²	89	51.1 Å²	51.1	55%	0.546	27%	0.274	S	S	.	.			trans	-97	-15	178.1	66.4	0	0	0	0	113.5	D78 N81 D83	D78-T85 PolarHBondContact OD2-N 3Å; N81-T85 PolarHBondContact ND2-OG1 3.1Å; D83-T85 WeakPolarHBondContact OD1-CB 3.39Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.33Å; D83-T85 PolarHBondContact OD1-N 3.14Å; D83-T85 PolarHBondContact OD1-OG1 2.89Å
86	G	94.9	Very high	95.5	Very high	2 Å²	2	53 Å²	53	2%	0.021	30%	0.295	C	S	.	.			trans	-71.2	136.4	-176.4	0	0	0	0	0	113.7	D78 Q123	D78-G86 WeakPolarHBondContact OD1-CA 3.47Å; D78-G86 PolarHBondContact OD2-N 3.07Å; G86-Q123 PolarHBondContact O-NE2 3.01Å
87	I	95.6	Very high	95.5	Very high	82 Å²	82	54.7 Å²	54.7	42%	0.421	30%	0.304	S	S	.	.			trans	-130.4	124.2	175.7	-59.6	177.3	0	0	0	108.7	P94	I87-P94 HydrophobicContact CG2-CB 4.19Å
88	C	96	Very high	95.5	Very high	20 Å²	20	57.1 Å²	57.1	14%	0.135	32%	0.315	C	S	.	.			trans	-150.9	145.2	172.7	-173.5	0	0	0	0	109	F79 V80 G121 C122	F79-C88 HydrophobicContact CE2-CB 3.86Å; F79-C88 HydrophobicContact CZ-CB 3.99Å; V80-C88 HydrophobicContact CG2-CB 3.73Å; C88-G121 CarbonylContact O-C 3.49Å; C88-G121 VanDerWaalsContact O-CA 3.28Å; C88-G121 WeakPolarHBondContact O-CA 3.12Å; C88-C122 HydrophobicContact CB-CB 4.39Å; C88-C122 WeakPolarHBondContact O-CA 2.98Å; C88-C122 VanDerWaalsContact O-CB 3.32Å; C88-C122 WeakPolarHBondContact O-CB 3.37Å; C88-C122 PolarHBondContact O-N 3.49Å
89	S	97.7	Very high	95.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	32%	0.323	C	S	.	.			trans	-142.2	163.3	168.1	78.1	0	0	0	0	109.3	N42 Y91 R92 G93	N42-S89 VanDerWaalsContact OD1-CA 3.31Å; N42-S89 WeakPolarHBondContact OD1-CA 3.38Å; N42-S89 VanDerWaalsContact OD1-CB 3.31Å; N42-S89 WeakPolarHBondContact OD1-CB 3.41Å; S89-Y91 PolarHBondContact O-N 3.49Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; S89-Y91 PolarHBondContact OG-N 3.45Å; S89-Y91 VanDerWaalsContact OG-N 3.08Å; S89-R92 PolarHBondContact O-N 3.47Å; S89-G93 WeakPolarHBondContact CB-O 3.48Å; S89-G93 PolarHBondContact OG-O 3.21Å
90	I	97.7	Very high	95.6	Very high	22 Å²	22	59.3 Å²	59.3	11%	0.113	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.3	172.4	69.1	168.9	0	0	0	112.6	E41 N42 Q45 F46 F51	E41-I90 HydrophobicContact CG-CD1 3.98Å; N42-I90 HydrophobicContact CB-CD1 4.31Å; N42-I90 HydrophobicContact CB-CG1 4.09Å; N42-I90 PolarHBondContact OD1-N 3.17Å; N42-I90 VanDerWaalsContact OD1-N 3.08Å; Q45-I90 HydrophobicContact CB-CG2 3.89Å; Q45-I90 HydrophobicContact CG-CD1 4.43Å; F46-I90 HydrophobicContact CD1-CG2 4.5Å; F46-I90 HydrophobicContact CE1-CG2 3.98Å; F46-I90 HydrophobicContact CE2-CG2 4.43Å; F46-I90 HydrophobicContact CZ-CG2 3.95Å; F51-I90 HydrophobicContact CB-CG2 3.86Å; F51-I90 HydrophobicContact CD1-CG2 4.45Å; F51-I90 HydrophobicContact CD2-CB 3.72Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.02Å; F51-I90 HydrophobicContact CE2-CG2 4.43Å; F51-I90 WeakPolarHBondContact CE2-O 3.17Å; F51-I90 HydrophobicContact CG-CB 4.24Å; F51-I90 HydrophobicContact CG-CG2 3.76Å
91	Y	96.9	Very high	95.7	Very high	99 Å²	99	63.2 Å²	63.2	39%	0.388	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12.3	-179.4	-50.9	-58.2	0	0	0	113.7	K38 N42 S89 F95	K38-Y91 VanDerWaalsContact CA-OH 3.24Å; K38-Y91 WeakPolarHBondContact CA-OH 3.46Å; K38-Y91 HydrophobicContact CB-CE2 4.21Å; K38-Y91 WeakPolarHBondContact CB-OH 3.45Å; K38-Y91 PolarHBondContact O-OH 2.92Å; N42-Y91 HydrophobicContact CB-CE2 4.09Å; S89-Y91 PolarHBondContact O-N 3.49Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; S89-Y91 PolarHBondContact OG-N 3.45Å; S89-Y91 VanDerWaalsContact OG-N 3.08Å; Y91-F95 HydrophobicContact CD2-CB 4.09Å; Y91-F95 HydrophobicContact CD2-CD1 4.13Å; Y91-F95 HydrophobicContact CD2-CD2 4.4Å; Y91-F95 AromaticContact CD2-CG 3.96Å; Y91-F95 HydrophobicContact CD2-CG 3.96Å; Y91-F95 HydrophobicContact CE2-CD2 4.5Å; Y91-F95 HydrophobicContact CE2-CG 4.47Å
92	R	89.4	Confident	95.8	Very high	236 Å²	236	62 Å²	62	89%	0.891	33%	0.329	S	S	*	.	S	Bend	trans	64	69.4	178	-53.6	-179.4	178	-166.3	-1.1	113.8	S89	S89-R92 PolarHBondContact O-N 3.47Å
93	G	90.4	Very high	96	Very high	25 Å²	25	65.2 Å²	65.2	26%	0.258	34%	0.335	S	S	.	.	S	Bend	trans	123.3	-167.6	176.8	0	0	0	0	0	111.8	S89	S89-G93 WeakPolarHBondContact CB-O 3.48Å; S89-G93 PolarHBondContact OG-O 3.21Å
94	P	95.6	Very high	96.3	Very high	79 Å²	79	60.6 Å²	60.6	51%	0.513	31%	0.31	S	S	.	.			trans	-65.3	152.4	169.9	27.3	-32.3	0	0	0	111.5	I87 N120	I87-P94 HydrophobicContact CG2-CB 4.19Å; P94-N120 CarbonylContact C-O 3.51Å; P94-N120 WeakPolarHBondContact CA-O 3.34Å
95	F	98	Very high	96.5	Very high	23 Å²	23	62.7 Å²	62.7	10%	0.101	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-128.7	156.3	175.8	69.4	-83.1	0	0	0	112.8	T39 N42 Y91 M112 G118 N120	T39-F95 HydrophobicContact CG2-CE2 4.39Å; T39-F95 HydrophobicContact CG2-CZ 4.27Å; N42-F95 HydrophobicContact CB-CE1 4.43Å; N42-F95 HydrophobicContact CB-CZ 4.35Å; Y91-F95 HydrophobicContact CD2-CB 4.09Å; Y91-F95 HydrophobicContact CD2-CD1 4.13Å; Y91-F95 HydrophobicContact CD2-CD2 4.4Å; Y91-F95 AromaticContact CD2-CG 3.96Å; Y91-F95 HydrophobicContact CD2-CG 3.96Å; Y91-F95 HydrophobicContact CE2-CD2 4.5Å; Y91-F95 HydrophobicContact CE2-CG 4.47Å; F95-M112 HydrophobicContact CE1-CE 4.3Å; F95-M112 HydrophobicContact CZ-CE 4.17Å; F95-G118 CarbonylContact C-O 3.49Å; F95-G118 CarbonylContact O-C 3.56Å; F95-G118 VanDerWaalsContact O-C 3.26Å; F95-G118 VanDerWaalsContact O-O 3.13Å; F95-N120 HydrophobicContact CD1-CB 3.85Å; F95-N120 WeakPolarHBondContact CD1-O 3.39Å; F95-N120 HydrophobicContact CD2-CB 4.01Å; F95-N120 HydrophobicContact CE1-CB 3.53Å; F95-N120 HydrophobicContact CE2-CB 3.7Å; F95-N120 HydrophobicContact CG-CB 4.08Å; F95-N120 HydrophobicContact CZ-CB 3.46Å; F95-N120 VanDerWaalsContact CZ-CB 3.46Å; F95-N120 PolarHBondContact N-O 3.35Å; F95-N120 WeakPolarHBondContact O-CB 3.29Å; F95-N120 PolarHBondContact O-N 2.9Å; F95-N120 PolarHBondContact O-ND2 2.95Å
96	A	97.8	Very high	96.6	Very high	68 Å²	68	60.2 Å²	60.2	56%	0.562	31%	0.31	S	S	*	.			trans	-64.2	156.5	-175.1	0	0	0	0	0	113.2	E98 N120	A96-E98 PolarHBondContact O-N 3.19Å; A96-N120 PolarHBondContact O-ND2 2.78Å
97	D	98.1	Very high	96.7	Very high	35 Å²	35	62.7 Å²	62.7	19%	0.187	33%	0.326	C	S	.	.			trans	-67.2	118.8	169.7	-60	-57.5	0	0	0	109.8	F100 G118 N120 V139	D97-F100 HydrophobicContact CB-CE1 4.07Å; D97-F100 HydrophobicContact CB-CE2 4.05Å; D97-F100 HydrophobicContact CB-CZ 3.48Å; D97-F100 VanDerWaalsContact CB-CZ 3.48Å; D97-G118 PolarHBondContact OD2-N 3.4Å; D97-N120 WeakPolarHBondContact CA-ND2 3.46Å; D97-N120 PolarHBondContact N-ND2 2.84Å; D97-N120 PolarHBondContact OD1-ND2 2.84Å; D97-N120 PolarHBondContact OD1-OD1 3.03Å; D97-V139 HydrophobicContact CB-CG2 3.79Å
98	E	97.7	Very high	96.8	Very high	51 Å²	51	59 Å²	59	24%	0.238	31%	0.307	C	S	.	.			trans	-70.8	-47.1	-173.5	-174.3	165.2	-160.8	0	0	112.5	V36 P37 K38 T39 A96	V36-E98 VanDerWaalsContact CA-CD 3.46Å; V36-E98 WeakPolarHBondContact CA-OE2 3.37Å; V36-E98 HydrophobicContact CB-CG 4.42Å; V36-E98 VanDerWaalsContact CB-OE2 3.31Å; V36-E98 WeakPolarHBondContact CB-OE2 3.11Å; V36-E98 HydrophobicContact CG1-CB 4.2Å; V36-E98 HydrophobicContact CG1-CG 4.22Å; P37-E98 WeakPolarHBondContact CD-OE1 3.21Å; P37-E98 WeakPolarHBondContact CG-OE1 3.32Å; K38-E98 WeakPolarHBondContact CB-OE2 3.39Å; K38-E98 WeakPolarHBondContact CG-OE1 3.17Å; K38-E98 PolarHBondContact N-OE1 3.37Å; K38-E98 PolarHBondContact N-OE2 3.48Å; K38-E98 VanDerWaalsContact N-OE2 3.12Å; T39-E98 PolarHBondContact N-OE2 2.96Å; T39-E98 PolarHBondContact OG1-OE2 3Å; A96-E98 PolarHBondContact O-N 3.19Å
99	N	97.8	Very high	97	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.182	31%	0.305	C	S	.	.			trans	-170.2	172.4	165.1	62	80.9	0	0	0	110.8	V35 V36 K101	V35-N99 PolarHBondContact O-ND2 3.5Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.23Å; N99-K101 HydrophobicContact CB-CG 4.41Å; N99-K101 WeakPolarHBondContact OD1-CB 3.36Å; N99-K101 WeakPolarHBondContact OD1-CG 3.4Å; N99-K101 PolarHBondContact OD1-N 3.02Å
100	F	97.9	Very high	97	Very high	63 Å²	63	58.8 Å²	58.8	28%	0.276	31%	0.305	S	S	.	.			trans	-120.9	36.4	177.6	-55.4	-71.8	0	0	0	112.9	D97 K103 G136 V139	D97-F100 HydrophobicContact CB-CE1 4.07Å; D97-F100 HydrophobicContact CB-CE2 4.05Å; D97-F100 HydrophobicContact CB-CZ 3.48Å; D97-F100 VanDerWaalsContact CB-CZ 3.48Å; F100-K103 PolarHBondContact O-NZ 3.25Å; F100-G136 WeakPolarHBondContact CE2-O 3.5Å; F100-G136 WeakPolarHBondContact CZ-O 3.32Å; F100-V139 HydrophobicContact CD1-CG2 4.4Å; F100-V139 HydrophobicContact CE1-CG2 4.01Å
101	K	97.8	Very high	97.1	Very high	153 Å²	153	57.7 Å²	57.7	67%	0.665	30%	0.299	S	S	*	.			trans	-64.8	-46.6	179.6	-70.8	176.3	179.1	176.4	0	111.3	V35 N99	V35-K101 HydrophobicContact CG1-CB 4.18Å; V35-K101 HydrophobicContact CG1-CD 4.06Å; N99-K101 HydrophobicContact CB-CG 4.41Å; N99-K101 WeakPolarHBondContact OD1-CB 3.36Å; N99-K101 WeakPolarHBondContact OD1-CG 3.4Å; N99-K101 PolarHBondContact OD1-N 3.02Å
102	M	97.9	Very high	97.1	Very high	68 Å²	68	53 Å²	53	34%	0.335	28%	0.281	S	S	.	.	S	Bend	trans	-76.9	141	177.1	-60.5	-54.9	-77.9	0	0	110.5	F32 V35 V140	F32-M102 HydrophobicContact CD2-CE 4.08Å; F32-M102 HydrophobicContact CD2-CG 4.11Å; F32-M102 HydrophobicContact CE2-CE 3.7Å; F32-M102 HydrophobicContact CE2-CG 4.44Å; F32-M102 HydrophobicContact CZ-CE 4.13Å; V35-M102 HydrophobicContact CG1-CG 4.1Å; M102-V140 HydrophobicContact CB-CB 3.66Å; M102-V140 HydrophobicContact CB-CG1 3.76Å
103	K	98.3	Very high	97.5	Very high	97 Å²	97	42.3 Å²	42.3	42%	0.422	24%	0.243	S	C	.	.			trans	-113.5	156	-176.7	-56.8	-57.1	-179.8	-167.6	0	110.6	F100 S105 L109 D135	F100-K103 PolarHBondContact O-NZ 3.25Å; K103-S105 PolarHBondContact O-N 2.84Å; K103-L109 WeakPolarHBondContact O-CD1 3.37Å; K103-D135 WeakPolarHBondContact CA-OD1 3.44Å; K103-D135 HydrophobicContact CD-CB 3.97Å; K103-D135 WeakPolarHBondContact CD-OD2 3.28Å
104	H	98.4	Very high	97.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.			trans	-80.3	51.7	177	-56.8	81.8	0	0	0	111.1	A106 S111 F125 T127 K130 C131 L134 D135 H138 V140	H104-A106 PolarHBondContact O-N 3.06Å; H104-S111 PolarHBondContact NE2-OG 3.24Å; H104-F125 AromaticContact NE2-CZ 3.71Å; H104-T127 HydrophobicContact CB-CG2 4.44Å; H104-K130 CarbonylContact O-C 3.27Å; H104-K130 WeakPolarHBondContact O-CA 3.23Å; H104-C131 HydrophobicContact CB-CB 3.92Å; H104-C131 WeakPolarHBondContact CB-O 3.5Å; H104-C131 PolarHBondContact O-N 3.31Å; H104-L134 PolarHBondContact CE1-O 3.19Å; H104-D135 IonicContact CE1-OD1 3.67Å; H104-D135 IonicContact CG-OD1 3.45Å; H104-D135 PolarHBondContact N-OD1 3.47Å; H104-D135 IonicContact ND1-OD1 3.84Å; H104-D135 PolarHBondContact ND1-OD1 2.84Å; H104-H138 PolarHBondContact CE1-O 3.23Å; H104-V140 VanDerWaalsContact CE1-CG2 3.47Å; H104-V140 WeakPolarHBondContact CE1-CG2 3.38Å; H104-V140 VanDerWaalsContact NE2-CG2 3.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.48Å
105	S	97.7	Very high	97.6	Very high	69 Å²	69	44.1 Å²	44.1	48%	0.483	25%	0.251	S	S	.	.			trans	-79.3	-13.1	-166.3	57.8	0	0	0	0	114.9	K103	K103-S105 PolarHBondContact O-N 2.84Å
106	A	97	Very high	97.3	Very high	37 Å²	37	44.2 Å²	44.2	31%	0.306	26%	0.259	S	S	.	.	S	Bend	trans	-153.4	159.5	-172.7	0	0	0	0	0	111.5	H104 L109 T127	H104-A106 PolarHBondContact O-N 3.06Å; A106-L109 WeakPolarHBondContact O-CD1 3.3Å; A106-L109 WeakPolarHBondContact O-CG 3.38Å; A106-T127 PolarHBondContact O-OG1 2.92Å; A106-T127 VanDerWaalsContact O-OG1 3.09Å
107	P	97.8	Very high	97.1	Very high	55 Å²	55	47 Å²	47	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	153.4	168	30	-36.8	0	0	0	112.1	C128 M151	P107-C128 WeakPolarHBondContact CB-O 3.45Å; P107-M151 HydrophobicContact CB-CE 4.49Å
108	G	97.9	Very high	96.8	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	5.1	179	0	0	0	0	0	114.2	T127 K143 V144	G108-T127 PolarHBondContact N-O 2.96Å; G108-T127 PolarHBondContact N-OG1 2.79Å; G108-K143 CarbonylContact O-C 3.52Å; G108-K143 VanDerWaalsContact O-CA 3.31Å; G108-K143 WeakPolarHBondContact O-CA 3.19Å; G108-V144 PolarHBondContact O-N 3.3Å
109	L	98.6	Very high	96.7	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.089	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.4	172.4	-59.8	174.5	0	0	0	110.6	K103 A106 I126 T127 V140 K143	K103-L109 WeakPolarHBondContact O-CD1 3.37Å; A106-L109 WeakPolarHBondContact O-CD1 3.3Å; A106-L109 WeakPolarHBondContact O-CG 3.38Å; L109-I126 WeakPolarHBondContact O-CA 3.43Å; L109-T127 WeakPolarHBondContact CA-OG1 3.31Å; L109-T127 HydrophobicContact CB-CG2 4.47Å; L109-T127 WeakPolarHBondContact CB-OG1 3.43Å; L109-T127 PolarHBondContact N-OG1 3.47Å; L109-T127 PolarHBondContact O-N 2.85Å; L109-T127 PolarHBondContact O-OG1 2.95Å; L109-T127 VanDerWaalsContact O-OG1 3.05Å; L109-V140 HydrophobicContact CB-CG1 4.28Å; L109-K143 HydrophobicContact CD2-CB 3.94Å
110	L	98.7	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.8	177.4	-178.5	67.5	0	0	0	109.6	I29 L31 F43 F124 I126 V140 F141 G142	I29-L110 HydrophobicContact CG2-CB 4.41Å; I29-L110 HydrophobicContact CG2-CD2 3.59Å; L31-L110 HydrophobicContact CD2-CD2 3.92Å; F43-L110 HydrophobicContact CD1-CD2 4.29Å; F43-L110 HydrophobicContact CE1-CD2 3.83Å; F43-L110 HydrophobicContact CE2-CD1 4.29Å; F43-L110 HydrophobicContact CE2-CD2 4.05Å; F43-L110 HydrophobicContact CZ-CD1 4.2Å; F43-L110 HydrophobicContact CZ-CD2 3.68Å; L110-F124 HydrophobicContact CD1-CB 4.03Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.08Å; L110-F124 HydrophobicContact CD1-CG 3.97Å; L110-I126 HydrophobicContact CD1-CG1 3.78Å; L110-V140 WeakPolarHBondContact O-CA 3.47Å; L110-F141 HydrophobicContact CD1-CE1 4.44Å; L110-F141 HydrophobicContact CD1-CZ 3.98Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.25Å; L110-F141 HydrophobicContact CD2-CE2 3.19Å; L110-F141 HydrophobicContact CD2-CZ 3.4Å; L110-F141 HydrophobicContact CG-CD1 4.39Å; L110-F141 HydrophobicContact CG-CD2 4.31Å; L110-F141 HydrophobicContact CG-CE1 3.75Å; L110-F141 HydrophobicContact CG-CE2 3.65Å; L110-F141 HydrophobicContact CG-CZ 3.35Å; L110-F141 PolarHBondContact O-N 3Å; L110-G142 PolarHBondContact N-O 2.89Å; L110-G142 PolarHBondContact O-N 2.7Å
111	S	98.8	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.8	-173.5	-169.1	0	0	0	0	112.1	H104 F124 F125 H138 V139	H104-S111 PolarHBondContact NE2-OG 3.24Å; S111-F124 WeakPolarHBondContact O-CA 3.11Å; S111-F125 PolarHBondContact N-O 3.1Å; S111-F125 WeakPolarHBondContact O-CD1 3.21Å; S111-F125 PolarHBondContact O-N 2.81Å; S111-F125 WeakPolarHBondContact OG-CZ 3.44Å; S111-H138 WeakPolarHBondContact OG-CB 3.33Å; S111-V139 VanDerWaalsContact CA-O 3.3Å; S111-V139 WeakPolarHBondContact CA-O 3.45Å; S111-V139 PolarHBondContact OG-O 3.09Å
112	M	98.4	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.9	-177.8	-72.1	-55.3	-62.2	0	0	111.1	T39 F95 N120 G121 Q123 F125 H138 V139 F141	T39-M112 HydrophobicContact CG2-CG 3.43Å; T39-M112 VanDerWaalsContact CG2-CG 3.43Å; T39-M112 HydrophobicContact CG2-SD 3.78Å; F95-M112 HydrophobicContact CE1-CE 4.3Å; F95-M112 HydrophobicContact CZ-CE 4.17Å; M112-N120 VanDerWaalsContact CB-OD1 3.23Å; M112-N120 WeakPolarHBondContact CB-OD1 3.47Å; M112-N120 HydrophobicContact CE-CB 4Å; M112-N120 HydrophobicContact CG-CB 4.45Å; M112-G121 WeakPolarHBondContact CE-O 3.44Å; M112-Q123 WeakPolarHBondContact CE-O 3.23Å; M112-F125 WeakPolarHBondContact O-CE1 3.35Å; M112-H138 PolarHBondContact O-ND1 3.24Å; M112-V139 HydrophobicContact CB-CB 4.48Å; M112-V139 HydrophobicContact CG-CB 4.38Å; M112-V139 PolarHBondContact N-O 2.9Å; M112-F141 HydrophobicContact CB-CE1 4.46Å; M112-F141 HydrophobicContact CG-CD1 3.71Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.89Å; M112-F141 HydrophobicContact SD-CE1 3.35Å; M112-F141 WeakPolarHBondContact SD-CE1 3.48Å; M112-F141 HydrophobicContact SD-CZ 3.82Å
113	A	97.3	Very high	96.7	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	21%	0.21	C	C	.	.			trans	-79.1	135.7	164.9	0	0	0	0	0	108.7	Q75 Q123 F125	Q75-A113 HydrophobicContact CG-CB 4.44Å; A113-Q123 HydrophobicContact CB-CB 3.8Å; A113-Q123 PolarHBondContact N-O 3.25Å; A113-Q123 VanDerWaalsContact N-O 3.1Å; A113-F125 HydrophobicContact CB-CD1 4.24Å
114	N	94.9	Very high	96.7	Very high	32 Å²	32	27.1 Å²	27.1	17%	0.171	19%	0.19	C	C	.	.			trans	-145.5	166.9	179.7	69.7	37.9	0	0	0	110.1	G116 T119 K137 H138	N114-G116 PolarHBondContact OD1-N 3.01Å; N114-T119 WeakPolarHBondContact CB-OG1 3.36Å; N114-K137 PolarHBondContact ND2-O 3.21Å; N114-H138 PolarHBondContact OD1-CE1 3.19Å
115	S	92.1	Very high	96.7	Very high	110 Å²	110	27.6 Å²	27.6	77%	0.769	19%	0.192	S	C	*	.	S	Bend	trans	-111	29.4	179.3	-61.4	0	0	0	0	111.6	T119	S115-T119 PolarHBondContact N-OG1 2.84Å
116	G	91.9	Very high	96.8	Very high	25 Å²	25	24.3 Å²	24.3	26%	0.258	17%	0.169	S	C	.	.	S	Bend	trans	129.5	174	-174.3	0	0	0	0	0	112.9	N114 G118 T119	N114-G116 PolarHBondContact OD1-N 3.01Å; G116-G118 PolarHBondContact O-N 2.9Å; G116-T119 PolarHBondContact N-OG1 2.95Å; G116-T119 PolarHBondContact O-N 2.93Å; G116-T119 PolarHBondContact O-OG1 2.83Å
117	P	94.1	Very high	96.8	Very high	125 Å²	125	22.5 Å²	22.5	81%	0.812	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	130.3	-177	-26.2	35.1	0	0	0	112.7	T119	P117-T119 PolarHBondContact O-N 2.88Å
118	G	90.9	Very high	96.9	Very high	26 Å²	26	20 Å²	20	27%	0.268	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	27.1	176.1	0	0	0	0	0	116	F95 D97 G116	F95-G118 CarbonylContact C-O 3.49Å; F95-G118 CarbonylContact O-C 3.56Å; F95-G118 VanDerWaalsContact O-C 3.26Å; F95-G118 VanDerWaalsContact O-O 3.13Å; D97-G118 PolarHBondContact OD2-N 3.4Å; G116-G118 PolarHBondContact O-N 2.9Å
119	T	95.9	Very high	96.9	Very high	38 Å²	38	22.4 Å²	22.4	23%	0.233	15%	0.152	C	C	.	.			trans	-112.2	31.8	179.6	63	0	0	0	0	113.5	N114 S115 G116 P117	N114-T119 WeakPolarHBondContact CB-OG1 3.36Å; S115-T119 PolarHBondContact N-OG1 2.84Å; G116-T119 PolarHBondContact N-OG1 2.95Å; G116-T119 PolarHBondContact O-N 2.93Å; G116-T119 PolarHBondContact O-OG1 2.83Å; P117-T119 PolarHBondContact O-N 2.88Å
120	N	97.5	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-65.8	141.9	177.9	-60.6	-55.8	0	0	0	110.6	P94 F95 A96 D97 M112	P94-N120 CarbonylContact C-O 3.51Å; P94-N120 WeakPolarHBondContact CA-O 3.34Å; F95-N120 HydrophobicContact CD1-CB 3.85Å; F95-N120 WeakPolarHBondContact CD1-O 3.39Å; F95-N120 HydrophobicContact CD2-CB 4.01Å; F95-N120 HydrophobicContact CE1-CB 3.53Å; F95-N120 HydrophobicContact CE2-CB 3.7Å; F95-N120 HydrophobicContact CG-CB 4.08Å; F95-N120 HydrophobicContact CZ-CB 3.46Å; F95-N120 VanDerWaalsContact CZ-CB 3.46Å; F95-N120 PolarHBondContact N-O 3.35Å; F95-N120 WeakPolarHBondContact O-CB 3.29Å; F95-N120 PolarHBondContact O-N 2.9Å; F95-N120 PolarHBondContact O-ND2 2.95Å; A96-N120 PolarHBondContact O-ND2 2.78Å; D97-N120 WeakPolarHBondContact CA-ND2 3.46Å; D97-N120 PolarHBondContact N-ND2 2.84Å; D97-N120 PolarHBondContact OD1-ND2 2.84Å; D97-N120 PolarHBondContact OD1-OD1 3.03Å; M112-N120 VanDerWaalsContact CB-OD1 3.23Å; M112-N120 WeakPolarHBondContact CB-OD1 3.47Å; M112-N120 HydrophobicContact CE-CB 4Å; M112-N120 HydrophobicContact CG-CB 4.45Å
121	G	97.5	Very high	96.7	Very high	4 Å²	4	26.5 Å²	26.5	4%	0.041	17%	0.17	C	C	.	.			trans	-140.9	-123.4	-178.4	0	0	0	0	0	112	N42 C88 M112	N42-G121 PolarHBondContact ND2-O 3.23Å; C88-G121 CarbonylContact O-C 3.49Å; C88-G121 VanDerWaalsContact O-CA 3.28Å; C88-G121 WeakPolarHBondContact O-CA 3.12Å; M112-G121 WeakPolarHBondContact CE-O 3.44Å
122	C	97.7	Very high	96.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	19%	0.189	C	C	.	.	S	Bend	trans	-102.6	-24	-179.7	51.5	0	0	0	0	112.1	F46 F60 G77 F79 C88	F46-C122 HydrophobicContact CD2-CB 4.24Å; F46-C122 HydrophobicContact CE2-CB 3.89Å; F60-C122 HydrophobicContact CE1-CB 4.49Å; F60-C122 VanDerWaalsContact CE1-O 3.23Å; F60-C122 WeakPolarHBondContact CE1-O 3.48Å; F60-C122 WeakPolarHBondContact CZ-O 3.29Å; G77-C122 PolarHBondContact O-SG 2.89Å; F79-C122 HydrophobicContact CD1-CB 4.18Å; F79-C122 HydrophobicContact CE1-CB 3.35Å; F79-C122 HydrophobicContact CE2-CB 4.42Å; F79-C122 HydrophobicContact CZ-CB 3.48Å; F79-C122 VanDerWaalsContact CZ-CB 3.48Å; C88-C122 HydrophobicContact CB-CB 4.39Å; C88-C122 WeakPolarHBondContact O-CA 2.98Å; C88-C122 VanDerWaalsContact O-CB 3.32Å; C88-C122 WeakPolarHBondContact O-CB 3.37Å; C88-C122 PolarHBondContact O-N 3.49Å
123	Q	98.6	Very high	96.6	Very high	16 Å²	16	37 Å²	37	8%	0.075	22%	0.215	C	C	.	.			trans	-72.6	143.2	-177.6	-63.8	-172.5	52.5	0	0	111.9	H66 G76 D78 G84 G86 M112 A113	H66-Q123 PolarHBondContact CE1-OE1 3.32Å; H66-Q123 VanDerWaalsContact CE1-OE1 3.31Å; H66-Q123 PolarHBondContact NE2-OE1 3.21Å; G76-Q123 WeakPolarHBondContact O-CA 3.42Å; D78-Q123 HydrophobicContact CB-CG 3.82Å; G84-Q123 PolarHBondContact O-NE2 3.26Å; G86-Q123 PolarHBondContact O-NE2 3.01Å; M112-Q123 WeakPolarHBondContact CE-O 3.23Å; A113-Q123 HydrophobicContact CB-CB 3.8Å; A113-Q123 PolarHBondContact N-O 3.25Å; A113-Q123 VanDerWaalsContact N-O 3.1Å
124	F	98.8	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.7	179.7	67.2	-89.8	0	0	0	110.1	F15 F43 F60 F65 Q75 G76 L110 S111 I126 F141 I171	F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.21Å; F15-F124 AromaticContact CE2-CE2 3.98Å; F15-F124 HydrophobicContact CE2-CE2 3.98Å; F15-F124 AromaticContact CE2-CZ 3.48Å; F15-F124 HydrophobicContact CE2-CZ 3.48Å; F15-F124 VanDerWaalsContact CE2-CZ 3.48Å; F15-F124 HydrophobicContact CZ-CE1 4.2Å; F15-F124 AromaticContact CZ-CZ 3.92Å; F15-F124 HydrophobicContact CZ-CZ 3.92Å; F43-F124 HydrophobicContact CD2-CD1 4.42Å; F43-F124 HydrophobicContact CE2-CB 3.94Å; F43-F124 AromaticContact CE2-CD1 3.46Å; F43-F124 HydrophobicContact CE2-CD1 3.46Å; F43-F124 VanDerWaalsContact CE2-CD1 3.46Å; F43-F124 HydrophobicContact CE2-CD2 4.21Å; F43-F124 AromaticContact CE2-CE1 3.89Å; F43-F124 HydrophobicContact CE2-CE1 3.89Å; F43-F124 AromaticContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.18Å; F43-F124 HydrophobicContact CZ-CD2 4.48Å; F43-F124 HydrophobicContact CZ-CE1 4.2Å; F43-F124 HydrophobicContact CZ-CG 4.29Å; F43-F124 HydrophobicContact CZ-CZ 4.38Å; F60-F124 HydrophobicContact CD1-CE1 4.19Å; F60-F124 HydrophobicContact CE1-CD1 4.12Å; F60-F124 HydrophobicContact CE1-CE1 4.04Å; F60-F124 HydrophobicContact CZ-CD1 4.1Å; F60-F124 HydrophobicContact CZ-CE1 4.22Å; F65-F124 AromaticContact CE1-CE2 3.88Å; F65-F124 HydrophobicContact CE1-CE2 3.88Å; F65-F124 HydrophobicContact CE1-CZ 4.19Å; F65-F124 HydrophobicContact CZ-CE2 4.1Å; F65-F124 HydrophobicContact CZ-CZ 4.11Å; Q75-F124 WeakPolarHBondContact CA-O 3.44Å; Q75-F124 WeakPolarHBondContact CG-O 2.88Å; G76-F124 PolarHBondContact N-O 3.35Å; G76-F124 PolarHBondContact O-N 3.29Å; G76-F124 VanDerWaalsContact O-N 3.07Å; L110-F124 HydrophobicContact CD1-CB 4.03Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.08Å; L110-F124 HydrophobicContact CD1-CG 3.97Å; S111-F124 WeakPolarHBondContact O-CA 3.11Å; F124-I126 HydrophobicContact CD2-CG1 4.38Å; F124-I126 HydrophobicContact CE2-CD1 4.38Å; F124-I126 HydrophobicContact CE2-CG1 4.32Å; F124-F141 HydrophobicContact CB-CE1 4.43Å; F124-F141 HydrophobicContact CB-CZ 4.22Å; F124-I171 HydrophobicContact CZ-CD1 4.17Å
125	F	98.8	Very high	96.7	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154	166	65.6	-87.9	0	0	0	111.8	M73 I74 Q75 H104 S111 M112 A113 T127 L134 H138	M73-F125 HydrophobicContact CB-CB 4.36Å; M73-F125 HydrophobicContact CB-CD2 3.93Å; M73-F125 HydrophobicContact CB-CG 4.5Å; M73-F125 HydrophobicContact CG-CB 4.5Å; M73-F125 HydrophobicContact CG-CD2 4.39Å; M73-F125 HydrophobicContact SD-CB 3.89Å; I74-F125 CarbonylContact O-C 2.89Å; I74-F125 WeakPolarHBondContact O-CA 3.47Å; I74-F125 WeakPolarHBondContact O-CB 3.34Å; Q75-F125 HydrophobicContact CB-CB 4.04Å; Q75-F125 HydrophobicContact CG-CB 4.44Å; H104-F125 AromaticContact NE2-CZ 3.71Å; S111-F125 PolarHBondContact N-O 3.1Å; S111-F125 WeakPolarHBondContact O-CD1 3.21Å; S111-F125 PolarHBondContact O-N 2.81Å; S111-F125 WeakPolarHBondContact OG-CZ 3.44Å; M112-F125 WeakPolarHBondContact O-CE1 3.35Å; A113-F125 HydrophobicContact CB-CD1 4.24Å; F125-T127 HydrophobicContact CD2-CG2 4.3Å; F125-T127 HydrophobicContact CE2-CG2 3.91Å; F125-L134 HydrophobicContact CE2-CD1 3.77Å; F125-L134 HydrophobicContact CZ-CD1 3.73Å; F125-H138 HydrophobicContact CE1-CB 4.04Å; F125-H138 AromaticContact CE1-CG 3.92Å; F125-H138 AromaticContact CE1-ND1 3.98Å; F125-H138 HydrophobicContact CZ-CB 3.99Å
126	I	98.8	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.6	170.8	-55.1	171.8	0	0	0	107.8	M27 M73 I74 L109 L110 F124 V144 M151	M27-I126 HydrophobicContact CE-CD1 4.37Å; M27-I126 HydrophobicContact SD-CD1 3.6Å; M73-I126 VanDerWaalsContact CA-O 3.27Å; M73-I126 WeakPolarHBondContact CA-O 3.39Å; M73-I126 WeakPolarHBondContact CB-O 3.38Å; I74-I126 HydrophobicContact CD1-CB 4.18Å; I74-I126 HydrophobicContact CD1-CD1 4.27Å; I74-I126 HydrophobicContact CG1-CB 3.78Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 2.83Å; I74-I126 PolarHBondContact O-N 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.43Å; L110-I126 HydrophobicContact CD1-CG1 3.78Å; F124-I126 HydrophobicContact CD2-CG1 4.38Å; F124-I126 HydrophobicContact CE2-CD1 4.38Å; F124-I126 HydrophobicContact CE2-CG1 4.32Å; I126-V144 HydrophobicContact CD1-CG2 4.31Å; I126-V144 HydrophobicContact CG2-CG2 4.04Å; I126-M151 HydrophobicContact CG2-CG 4.04Å
127	T	98.7	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	135.3	178.1	50.3	0	0	0	0	111.3	H104 A106 G108 L109 F125	H104-T127 HydrophobicContact CB-CG2 4.44Å; A106-T127 PolarHBondContact O-OG1 2.92Å; A106-T127 VanDerWaalsContact O-OG1 3.09Å; G108-T127 PolarHBondContact N-O 2.96Å; G108-T127 PolarHBondContact N-OG1 2.79Å; L109-T127 WeakPolarHBondContact CA-OG1 3.31Å; L109-T127 HydrophobicContact CB-CG2 4.47Å; L109-T127 WeakPolarHBondContact CB-OG1 3.43Å; L109-T127 PolarHBondContact N-OG1 3.47Å; L109-T127 PolarHBondContact O-N 2.85Å; L109-T127 PolarHBondContact O-OG1 2.95Å; L109-T127 VanDerWaalsContact O-OG1 3.05Å; F125-T127 HydrophobicContact CD2-CG2 4.3Å; F125-T127 HydrophobicContact CE2-CG2 3.91Å
128	C	98.2	Very high	97.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.18	C	C	.	.	S	Bend	trans	-102.3	-12.3	174.9	-64.7	0	0	0	0	112.5	F72 P107 R152 E155	F72-C128 PolarHBondContact O-N 2.84Å; P107-C128 WeakPolarHBondContact CB-O 3.45Å; C128-R152 VanDerWaalsContact O-CZ 3.3Å; C128-R152 PolarHBondContact O-NH1 3.47Å; C128-R152 PolarHBondContact O-NH2 2.81Å; C128-E155 HydrophobicContact CB-CG 4.21Å; C128-E155 WeakPolarHBondContact CB-OE1 3.46Å
129	T	97.9	Very high	97.8	Very high	53 Å²	53	33.2 Å²	33.2	33%	0.325	17%	0.167	S	C	.	.	S	Bend	trans	-147.2	-180	174.3	-167.8	0	0	0	0	109.9	D71 C131	D71-T129 WeakPolarHBondContact O-CG2 3.35Å; T129-C131 PolarHBondContact O-SG 2.67Å; T129-C131 VanDerWaalsContact O-SG 3.39Å
130	K	97.8	Very high	97.9	Very high	104 Å²	104	31.5 Å²	31.5	45%	0.452	16%	0.157	S	C	.	.			trans	-69.8	127.8	169.2	-177.1	174.2	-164.9	-111.4	0	110	H104 D132	H104-K130 CarbonylContact O-C 3.27Å; H104-K130 WeakPolarHBondContact O-CA 3.23Å; K130-D132 WeakPolarHBondContact CE-OD1 3.41Å; K130-D132 VanDerWaalsContact CG-OD1 3.3Å; K130-D132 WeakPolarHBondContact CG-OD1 3.13Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 PolarHBondContact NZ-OD1 3.22Å; K130-D132 IonicContact NZ-OD2 3.61Å; K130-D132 PolarHBondContact NZ-OD2 2.87Å
131	C	97.1	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.			trans	-127.3	58.8	-172.2	-59.7	0	0	0	0	111.9	F72 H104 T129 W133 L134	F72-C131 HydrophobicContact CE2-CB 4.47Å; H104-C131 HydrophobicContact CB-CB 3.92Å; H104-C131 WeakPolarHBondContact CB-O 3.5Å; H104-C131 PolarHBondContact O-N 3.31Å; T129-C131 PolarHBondContact O-SG 2.67Å; T129-C131 VanDerWaalsContact O-SG 3.39Å; C131-W133 HydrophobicContact CB-CH2 4.25Å; C131-W133 HydrophobicContact CB-CZ2 4.01Å; C131-W133 PolarHBondContact O-N 3.34Å; C131-L134 HydrophobicContact CB-CB 4.47Å; C131-L134 HydrophobicContact CB-CD1 3.73Å; C131-L134 HydrophobicContact CB-CG 4Å; C131-L134 WeakPolarHBondContact O-CB 3.23Å; C131-L134 PolarHBondContact O-N 2.84Å
132	D	97.1	Very high	98	Very high	75 Å²	75	31.3 Å²	31.3	40%	0.401	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-55.2	-29	-173	-60	-34.2	0	0	0	113.7	K130 L134 D135	K130-D132 WeakPolarHBondContact CE-OD1 3.41Å; K130-D132 VanDerWaalsContact CG-OD1 3.3Å; K130-D132 WeakPolarHBondContact CG-OD1 3.13Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 PolarHBondContact NZ-OD1 3.22Å; K130-D132 IonicContact NZ-OD2 3.61Å; K130-D132 PolarHBondContact NZ-OD2 2.87Å; D132-L134 PolarHBondContact O-N 2.98Å; D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.33Å; D132-D135 VanDerWaalsContact O-N 3.14Å
133	W	97.3	Very high	98.1	Very high	145 Å²	145	33.2 Å²	33.2	55%	0.549	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-69.6	-10.5	178.9	61.2	87.4	0	0	0	114.5	F72 C131 K137	F72-W133 AromaticContact CD2-CZ2 3.76Å; F72-W133 HydrophobicContact CD2-CZ2 3.76Å; F72-W133 AromaticContact CE2-CZ2 3.65Å; F72-W133 HydrophobicContact CE2-CZ2 3.65Å; F72-W133 AromaticContact CE2-NE1 3.78Å; C131-W133 HydrophobicContact CB-CH2 4.25Å; C131-W133 HydrophobicContact CB-CZ2 4.01Å; C131-W133 PolarHBondContact O-N 3.34Å; W133-K137 PolarHBondContact O-NZ 2.82Å
134	L	97.6	Very high	98	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.084	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-91.7	-10.8	174.5	-59.9	-175.6	0	0	0	112.8	F72 H104 F125 C131 D132 G136 K137 H138	F72-L134 HydrophobicContact CE2-CD1 3.9Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å; H104-L134 PolarHBondContact CE1-O 3.19Å; F125-L134 HydrophobicContact CE2-CD1 3.77Å; F125-L134 HydrophobicContact CZ-CD1 3.73Å; C131-L134 HydrophobicContact CB-CB 4.47Å; C131-L134 HydrophobicContact CB-CD1 3.73Å; C131-L134 HydrophobicContact CB-CG 4Å; C131-L134 WeakPolarHBondContact O-CB 3.23Å; C131-L134 PolarHBondContact O-N 2.84Å; D132-L134 PolarHBondContact O-N 2.98Å; L134-G136 PolarHBondContact O-N 3.24Å; L134-K137 WeakPolarHBondContact O-CB 3.14Å; L134-K137 PolarHBondContact O-N 2.99Å; L134-K137 VanDerWaalsContact O-N 3.09Å; L134-H138 PolarHBondContact O-N 3.11Å
135	D	97.4	Very high	98	Very high	43 Å²	43	33.3 Å²	33.3	23%	0.23	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	134	179.2	-68.5	-18.2	0	0	0	111.1	K103 H104 D132 K137	K103-D135 WeakPolarHBondContact CA-OD1 3.44Å; K103-D135 HydrophobicContact CD-CB 3.97Å; K103-D135 WeakPolarHBondContact CD-OD2 3.28Å; H104-D135 IonicContact CE1-OD1 3.67Å; H104-D135 IonicContact CG-OD1 3.45Å; H104-D135 PolarHBondContact N-OD1 3.47Å; H104-D135 IonicContact ND1-OD1 3.84Å; H104-D135 PolarHBondContact ND1-OD1 2.84Å; D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.33Å; D132-D135 VanDerWaalsContact O-N 3.14Å; D135-K137 PolarHBondContact O-N 2.94Å
136	G	96.6	Very high	97.9	Very high	38 Å²	38	35.4 Å²	35.4	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	0.8	-175.9	0	0	0	0	0	114.8	F100 L134	F100-G136 WeakPolarHBondContact CE2-O 3.5Å; F100-G136 WeakPolarHBondContact CZ-O 3.32Å; L134-G136 PolarHBondContact O-N 3.24Å
137	K	97.6	Very high	97.8	Very high	122 Å²	122	35.9 Å²	35.9	53%	0.53	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-33.2	179.3	-59.3	175.2	-173.7	160.5	0	113.1	N114 W133 L134 D135	N114-K137 PolarHBondContact ND2-O 3.21Å; W133-K137 PolarHBondContact O-NZ 2.82Å; L134-K137 WeakPolarHBondContact O-CB 3.14Å; L134-K137 PolarHBondContact O-N 2.99Å; L134-K137 VanDerWaalsContact O-N 3.09Å; D135-K137 PolarHBondContact O-N 2.94Å
138	H	98.4	Very high	97.7	Very high	31 Å²	31	39.5 Å²	39.5	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	-125.5	135.1	179.9	-60.6	-79.5	0	0	0	110.2	H104 S111 M112 N114 F125 L134 V140	H104-H138 PolarHBondContact CE1-O 3.23Å; S111-H138 WeakPolarHBondContact OG-CB 3.33Å; M112-H138 PolarHBondContact O-ND1 3.24Å; N114-H138 PolarHBondContact OD1-CE1 3.19Å; F125-H138 HydrophobicContact CE1-CB 4.04Å; F125-H138 AromaticContact CE1-CG 3.92Å; F125-H138 AromaticContact CE1-ND1 3.98Å; F125-H138 HydrophobicContact CZ-CB 3.99Å; L134-H138 PolarHBondContact O-N 3.11Å; H138-V140 PolarHBondContact O-N 3.25Å
139	V	98.6	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.			trans	-78.1	112.1	179.6	-179.8	0	0	0	0	108.9	V36 T39 D97 F100 S111 M112 F141	V36-V139 HydrophobicContact CB-CG1 4.49Å; V36-V139 HydrophobicContact CG1-CG1 3.87Å; T39-V139 HydrophobicContact CG2-CG1 4.25Å; D97-V139 HydrophobicContact CB-CG2 3.79Å; F100-V139 HydrophobicContact CD1-CG2 4.4Å; F100-V139 HydrophobicContact CE1-CG2 4.01Å; S111-V139 VanDerWaalsContact CA-O 3.3Å; S111-V139 WeakPolarHBondContact CA-O 3.45Å; S111-V139 PolarHBondContact OG-O 3.09Å; M112-V139 HydrophobicContact CB-CB 4.48Å; M112-V139 HydrophobicContact CG-CB 4.38Å; M112-V139 PolarHBondContact N-O 2.9Å; V139-F141 WeakPolarHBondContact O-CD1 3.47Å
140	V	98.8	Very high	97.6	Very high	3 Å²	3	44 Å²	44	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123	168.7	175.3	0	0	0	0	108.6	F32 M102 H104 L109 L110 H138	F32-V140 HydrophobicContact CE2-CG1 4.11Å; M102-V140 HydrophobicContact CB-CB 3.66Å; M102-V140 HydrophobicContact CB-CG1 3.76Å; H104-V140 VanDerWaalsContact CE1-CG2 3.47Å; H104-V140 WeakPolarHBondContact CE1-CG2 3.38Å; H104-V140 VanDerWaalsContact NE2-CG2 3.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.48Å; L109-V140 HydrophobicContact CB-CG1 4.28Å; L110-V140 WeakPolarHBondContact O-CA 3.47Å; H138-V140 PolarHBondContact O-N 3.25Å
141	F	98.7	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	5.8	-170.6	71.7	-89.6	0	0	0	114.8	L31 F32 V36 T39 F43 L110 M112 F124 V139	L31-F141 HydrophobicContact CD2-CD2 4.21Å; L31-F141 HydrophobicContact CD2-CE2 4.12Å; F32-F141 VanDerWaalsContact CD2-C 3.47Å; F32-F141 PolarHBondContact N-O 3.25Å; V36-F141 HydrophobicContact CG2-CB 3.49Å; V36-F141 VanDerWaalsContact CG2-CB 3.49Å; T39-F141 HydrophobicContact CG2-CB 3.67Å; T39-F141 HydrophobicContact CG2-CD1 3.85Å; T39-F141 HydrophobicContact CG2-CD2 4.26Å; T39-F141 HydrophobicContact CG2-CG 3.68Å; F43-F141 HydrophobicContact CB-CD2 4.31Å; F43-F141 HydrophobicContact CB-CE2 3.55Å; F43-F141 HydrophobicContact CB-CZ 4.22Å; F43-F141 AromaticContact CD1-CE2 4Å; F43-F141 HydrophobicContact CD1-CE2 4Å; F43-F141 AromaticContact CD2-CE2 3.44Å; F43-F141 HydrophobicContact CD2-CE2 3.44Å; F43-F141 VanDerWaalsContact CD2-CE2 3.44Å; F43-F141 AromaticContact CD2-CZ 3.35Å; F43-F141 HydrophobicContact CD2-CZ 3.35Å; F43-F141 HydrophobicContact CE2-CE2 4.02Å; F43-F141 AromaticContact CE2-CZ 3.71Å; F43-F141 HydrophobicContact CE2-CZ 3.71Å; F43-F141 AromaticContact CG-CE2 3.4Å; F43-F141 HydrophobicContact CG-CE2 3.4Å; F43-F141 AromaticContact CG-CZ 3.86Å; F43-F141 HydrophobicContact CG-CZ 3.86Å; F43-F141 HydrophobicContact CZ-CZ 4.49Å; L110-F141 HydrophobicContact CD1-CE1 4.44Å; L110-F141 HydrophobicContact CD1-CZ 3.98Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.25Å; L110-F141 HydrophobicContact CD2-CE2 3.19Å; L110-F141 HydrophobicContact CD2-CZ 3.4Å; L110-F141 HydrophobicContact CG-CD1 4.39Å; L110-F141 HydrophobicContact CG-CD2 4.31Å; L110-F141 HydrophobicContact CG-CE1 3.75Å; L110-F141 HydrophobicContact CG-CE2 3.65Å; L110-F141 HydrophobicContact CG-CZ 3.35Å; L110-F141 PolarHBondContact O-N 3Å; M112-F141 HydrophobicContact CB-CE1 4.46Å; M112-F141 HydrophobicContact CG-CD1 3.71Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.89Å; M112-F141 HydrophobicContact SD-CE1 3.35Å; M112-F141 WeakPolarHBondContact SD-CE1 3.48Å; M112-F141 HydrophobicContact SD-CZ 3.82Å; F124-F141 HydrophobicContact CB-CE1 4.43Å; F124-F141 HydrophobicContact CB-CZ 4.22Å; V139-F141 WeakPolarHBondContact O-CD1 3.47Å
142	G	98.4	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-176.2	173.6	0	0	0	0	0	113.3	E30 F32 L110	E30-G142 CarbonylContact O-C 3.58Å; E30-G142 WeakPolarHBondContact O-CA 3.48Å; F32-G142 VanDerWaalsContact CD2-N 3.32Å; F32-G142 VanDerWaalsContact CE2-C 3.46Å; F32-G142 VanDerWaalsContact CE2-CA 3.48Å; F32-G142 WeakPolarHBondContact CE2-O 3.28Å; F32-G142 VanDerWaalsContact CZ-C 3.43Å; L110-G142 PolarHBondContact N-O 2.89Å; L110-G142 PolarHBondContact O-N 2.7Å
143	K	98.3	Very high	97.7	Very high	40 Å²	40	44.2 Å²	44.2	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	172.3	67.7	-178.6	178.3	-172.7	0	112	S6 I29 E30 F32 G108 L109 V145	S6-K143 WeakPolarHBondContact OG-CE 3.37Å; S6-K143 PolarHBondContact OG-NZ 3.45Å; I29-K143 CarbonylContact C-O 3.37Å; I29-K143 VanDerWaalsContact CA-O 3.32Å; I29-K143 WeakPolarHBondContact CA-O 3.35Å; E30-K143 HydrophobicContact CB-CG 4.42Å; E30-K143 PolarHBondContact N-O 2.84Å; E30-K143 PolarHBondContact O-N 3.24Å; E30-K143 WeakPolarHBondContact OE2-CE 3.41Å; E30-K143 IonicContact OE2-NZ 3.17Å; E30-K143 PolarHBondContact OE2-NZ 2.9Å; F32-K143 HydrophobicContact CE1-CB 4.45Å; F32-K143 HydrophobicContact CE1-CD 4.14Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.86Å; F32-K143 HydrophobicContact CZ-CD 4.02Å; F32-K143 HydrophobicContact CZ-CG 3.8Å; G108-K143 CarbonylContact O-C 3.52Å; G108-K143 VanDerWaalsContact O-CA 3.31Å; G108-K143 WeakPolarHBondContact O-CA 3.19Å; L109-K143 HydrophobicContact CD2-CB 3.94Å; K143-V145 HydrophobicContact CG-CG1 4.17Å; K143-V145 PolarHBondContact O-N 2.77Å
144	V	98.1	Very high	97.8	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.4	169.5	-178.8	0	0	0	0	109	M27 K28 I29 G108 I126 D146 L148	M27-V144 HydrophobicContact CG-CG1 3.66Å; M27-V144 HydrophobicContact CG-CG2 4.09Å; M27-V144 HydrophobicContact SD-CG1 4.15Å; M27-V144 HydrophobicContact SD-CG2 3.56Å; M27-V144 VanDerWaalsContact SD-CG2 3.56Å; K28-V144 WeakPolarHBondContact O-CA 3.38Å; I29-V144 HydrophobicContact CG1-CG2 4.48Å; G108-V144 PolarHBondContact O-N 3.3Å; I126-V144 HydrophobicContact CD1-CG2 4.31Å; I126-V144 HydrophobicContact CG2-CG2 4.04Å; V144-D146 WeakPolarHBondContact CG1-O 3.29Å; V144-L148 HydrophobicContact CB-CD1 4.26Å; V144-L148 HydrophobicContact CG1-CD1 4.29Å
145	V	97.4	Very high	97.8	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-22.5	177	-69.5	0	0	0	0	112.3	S2 V3 K28 E30 K143	S2-V145 CarbonylContact C-O 3.6Å; S2-V145 VanDerWaalsContact CA-O 3.32Å; S2-V145 WeakPolarHBondContact CA-O 3.29Å; V3-V145 PolarHBondContact N-O 2.92Å; V3-V145 WeakPolarHBondContact O-CB 3.47Å; K28-V145 HydrophobicContact CB-CG2 3.86Å; K28-V145 WeakPolarHBondContact O-CG2 3.31Å; K28-V145 PolarHBondContact O-N 2.9Å; E30-V145 HydrophobicContact CB-CG1 3.72Å; K143-V145 HydrophobicContact CG-CG1 4.17Å; K143-V145 PolarHBondContact O-N 2.77Å
146	D	97.4	Very high	97.8	Very high	53 Å²	53	39 Å²	39	28%	0.283	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.3	173.6	-164.2	5.4	0	0	0	109.8	M27 K28 V144	M27-D146 WeakPolarHBondContact CA-O 3.22Å; K28-D146 HydrophobicContact CB-CB 3.84Å; K28-D146 HydrophobicContact CD-CB 3.83Å; K28-D146 HydrophobicContact CG-CB 3.99Å; K28-D146 PolarHBondContact N-O 3.49Å; K28-D146 IonicContact NZ-OD2 3.6Å; K28-D146 PolarHBondContact NZ-OD2 3.01Å; K28-D146 PolarHBondContact O-N 3.49Å; V144-D146 WeakPolarHBondContact CG1-O 3.29Å
147	G	96.3	Very high	97.9	Very high	10 Å²	10	37.9 Å²	37.9	10%	0.103	19%	0.185	C	C	.	.			trans	84.3	24.9	-178.5	0	0	0	0	0	115.4	L149 I150 M151	G147-L149 PolarHBondContact O-N 3Å; G147-I150 WeakPolarHBondContact O-CA 3.5Å; G147-I150 VanDerWaalsContact O-CB 3.3Å; G147-I150 WeakPolarHBondContact O-CB 3.42Å; G147-I150 PolarHBondContact O-N 3.45Å; G147-M151 PolarHBondContact O-N 2.96Å
148	L	96.1	Very high	97.9	Very high	75 Å²	75	35.8 Å²	35.8	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-57	-33.2	173.1	-157.9	77.5	0	0	0	112.4	V144 I150 M151 R152	V144-L148 HydrophobicContact CB-CD1 4.26Å; V144-L148 HydrophobicContact CG1-CD1 4.29Å; L148-I150 VanDerWaalsContact C-N 3.26Å; L148-I150 PolarHBondContact O-N 2.87Å; L148-M151 HydrophobicContact CD1-CE 3.35Å; L148-M151 HydrophobicContact CG-CE 3.88Å; L148-M151 WeakPolarHBondContact O-CB 3.48Å; L148-M151 PolarHBondContact O-N 3.22Å; L148-R152 WeakPolarHBondContact O-CG 3.32Å; L148-R152 PolarHBondContact O-N 3.16Å
149	L	97.2	Very high	97.9	Very high	135 Å²	135	36.6 Å²	36.6	71%	0.707	19%	0.191	S	C	*	.	H	α-helix	trans	-62.9	-31.9	173.5	-69.5	174.9	0	0	0	112.4	G147 R152 K153	G147-L149 PolarHBondContact O-N 3Å; L149-R152 PolarHBondContact O-N 3.41Å; L149-K153 WeakPolarHBondContact O-CG 3.31Å; L149-K153 PolarHBondContact O-N 3.43Å
150	I	98	Very high	97.8	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.072	20%	0.203	C	C	.	.	H	α-helix	trans	-71	-42.6	176.8	-60.9	158.2	0	0	0	109.6	I17 V24 R26 M27 G147 L148 R152 K153 I154	I17-I150 HydrophobicContact CB-CG2 4.01Å; I17-I150 HydrophobicContact CG1-CG2 3.96Å; I17-I150 HydrophobicContact CG2-CG2 4.42Å; V24-I150 HydrophobicContact CG2-CG2 3.95Å; R26-I150 VanDerWaalsContact N-CD1 3.32Å; R26-I150 WeakPolarHBondContact O-CD1 3.47Å; M27-I150 HydrophobicContact CE-CB 4.38Å; M27-I150 HydrophobicContact CE-CG2 4.23Å; G147-I150 WeakPolarHBondContact O-CA 3.5Å; G147-I150 VanDerWaalsContact O-CB 3.3Å; G147-I150 WeakPolarHBondContact O-CB 3.42Å; G147-I150 PolarHBondContact O-N 3.45Å; L148-I150 VanDerWaalsContact C-N 3.26Å; L148-I150 PolarHBondContact O-N 2.87Å; I150-R152 VanDerWaalsContact C-N 3.28Å; I150-R152 PolarHBondContact O-N 3.45Å; I150-K153 WeakPolarHBondContact O-CB 3.31Å; I150-K153 PolarHBondContact O-N 3.28Å; I150-K153 VanDerWaalsContact O-N 3.07Å; I150-I154 HydrophobicContact CG2-CD1 4.26Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 3.35Å
151	M	97.9	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-43.5	171.6	177.6	-95	-73.9	0	0	111.2	M27 I74 P107 I126 G147 L148 K153 I154 E155	M27-M151 HydrophobicContact CE-CB 3.73Å; I74-M151 HydrophobicContact CD1-CB 4.37Å; I74-M151 HydrophobicContact CD1-CG 3.68Å; I74-M151 HydrophobicContact CG1-CG 4.41Å; P107-M151 HydrophobicContact CB-CE 4.49Å; I126-M151 HydrophobicContact CG2-CG 4.04Å; G147-M151 PolarHBondContact O-N 2.96Å; L148-M151 HydrophobicContact CD1-CE 3.35Å; L148-M151 HydrophobicContact CG-CE 3.88Å; L148-M151 WeakPolarHBondContact O-CB 3.48Å; L148-M151 PolarHBondContact O-N 3.22Å; M151-K153 PolarHBondContact O-N 3.36Å; M151-I154 WeakPolarHBondContact O-CB 3.37Å; M151-I154 PolarHBondContact O-N 3.39Å; M151-E155 WeakPolarHBondContact O-CB 3.15Å; M151-E155 PolarHBondContact O-N 3.33Å
152	R	98	Very high	97.5	Very high	74 Å²	74	50 Å²	50	28%	0.279	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-35.3	174.1	-65.2	-59.3	-175.8	-173.8	-5.5	113.3	C128 L148 L149 I150 E155 N156	C128-R152 VanDerWaalsContact O-CZ 3.3Å; C128-R152 PolarHBondContact O-NH1 3.47Å; C128-R152 PolarHBondContact O-NH2 2.81Å; L148-R152 WeakPolarHBondContact O-CG 3.32Å; L148-R152 PolarHBondContact O-N 3.16Å; L149-R152 PolarHBondContact O-N 3.41Å; I150-R152 VanDerWaalsContact C-N 3.28Å; I150-R152 PolarHBondContact O-N 3.45Å; R152-E155 WeakPolarHBondContact CD-OE2 3.5Å; R152-E155 IonicContact CZ-OE2 3.59Å; R152-E155 IonicContact NE-OE2 2.71Å; R152-E155 VanDerWaalsContact NH1-CD 3.29Å; R152-E155 IonicContact NH1-OE1 2.81Å; R152-E155 PolarHBondContact NH1-OE1 3.41Å; R152-E155 IonicContact NH1-OE2 3.21Å; R152-E155 PolarHBondContact NH1-OE2 3.32Å; R152-E155 PolarHBondContact O-N 3.36Å; R152-N156 PolarHBondContact O-N 2.95Å; R152-N156 PolarHBondContact O-ND2 3.45Å
153	K	98.1	Very high	97.5	Very high	111 Å²	111	53 Å²	53	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-46.2	172.7	-74	177	-177.3	-179.5	0	111.1	I19 V24 L149 I150 M151 N156 V157	I19-K153 HydrophobicContact CD1-CB 4.32Å; V24-K153 HydrophobicContact CB-CD 4.22Å; L149-K153 WeakPolarHBondContact O-CG 3.31Å; L149-K153 PolarHBondContact O-N 3.43Å; I150-K153 WeakPolarHBondContact O-CB 3.31Å; I150-K153 PolarHBondContact O-N 3.28Å; I150-K153 VanDerWaalsContact O-N 3.07Å; M151-K153 PolarHBondContact O-N 3.36Å; K153-N156 PolarHBondContact O-N 3.4Å; K153-V157 PolarHBondContact O-N 2.87Å
154	I	98.3	Very high	97.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-49.3	175.7	-64.4	164.5	0	0	0	110	I17 I19 M27 F65 V68 I74 I150 M151 N156 V157 I169	I17-I154 HydrophobicContact CG1-CD1 4.29Å; I17-I154 HydrophobicContact CG2-CD1 4.02Å; I17-I154 HydrophobicContact CG2-CG1 4.19Å; I19-I154 HydrophobicContact CD1-CG1 4.3Å; M27-I154 HydrophobicContact CE-CD1 4.12Å; F65-I154 HydrophobicContact CE2-CD1 4.29Å; F65-I154 HydrophobicContact CZ-CD1 4.47Å; V68-I154 WeakPolarHBondContact CG1-O 3.26Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; I74-I154 HydrophobicContact CB-CG2 4.06Å; I74-I154 HydrophobicContact CD1-CB 4.11Å; I74-I154 HydrophobicContact CD1-CD1 3.99Å; I74-I154 HydrophobicContact CD1-CG2 3.77Å; I74-I154 HydrophobicContact CG2-CG2 3.72Å; I150-I154 HydrophobicContact CG2-CD1 4.26Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 3.35Å; M151-I154 WeakPolarHBondContact O-CB 3.37Å; M151-I154 PolarHBondContact O-N 3.39Å; I154-N156 PolarHBondContact O-N 2.86Å; I154-V157 WeakPolarHBondContact O-CB 3.17Å; I154-V157 WeakPolarHBondContact O-CG2 3.2Å; I154-V157 PolarHBondContact O-N 3.04Å; I154-V157 VanDerWaalsContact O-N 3.08Å; I154-I169 HydrophobicContact CB-CD1 4.47Å; I154-I169 HydrophobicContact CD1-CG2 4.35Å; I154-I169 HydrophobicContact CG1-CG2 3.93Å; I154-I169 HydrophobicContact CG2-CD1 3.7Å; I154-I169 HydrophobicContact CG2-CG2 4.14Å
155	E	98.4	Very high	97.4	Very high	5 Å²	5	57.6 Å²	57.6	2%	0.023	31%	0.311	C	S	.	.	H	α-helix	trans	-55.4	-33.6	-179.4	-176.7	-169.1	-161.6	0	0	113.3	K70 D71 I74 C128 M151 R152	K70-E155 HydrophobicContact CB-CG 4.38Å; K70-E155 HydrophobicContact CG-CG 4.18Å; D71-E155 PolarHBondContact N-OE1 3.08Å; I74-E155 HydrophobicContact CG2-CB 4.45Å; C128-E155 HydrophobicContact CB-CG 4.21Å; C128-E155 WeakPolarHBondContact CB-OE1 3.46Å; M151-E155 WeakPolarHBondContact O-CB 3.15Å; M151-E155 PolarHBondContact O-N 3.33Å; R152-E155 WeakPolarHBondContact CD-OE2 3.5Å; R152-E155 IonicContact CZ-OE2 3.59Å; R152-E155 IonicContact NE-OE2 2.71Å; R152-E155 VanDerWaalsContact NH1-CD 3.29Å; R152-E155 IonicContact NH1-OE1 2.81Å; R152-E155 PolarHBondContact NH1-OE1 3.41Å; R152-E155 IonicContact NH1-OE2 3.21Å; R152-E155 PolarHBondContact NH1-OE2 3.32Å; R152-E155 PolarHBondContact O-N 3.36Å
156	N	98.1	Very high	97.5	Very high	90 Å²	90	64.2 Å²	64.2	48%	0.481	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.8	-177.7	-71.2	-73	0	0	0	113.9	K70 R152 K153 I154	K70-N156 PolarHBondContact NZ-OD1 2.81Å; R152-N156 PolarHBondContact O-N 2.95Å; R152-N156 PolarHBondContact O-ND2 3.45Å; K153-N156 PolarHBondContact O-N 3.4Å; I154-N156 PolarHBondContact O-N 2.86Å
157	V	97.8	Very high	97.5	Very high	13 Å²	13	65.7 Å²	65.7	8%	0.079	35%	0.347	C	S	.	.	S	Bend	trans	-65.9	135.6	175.1	172.2	0	0	0	0	110	I19 K153 I154 T159 P165 L167 I169	I19-V157 HydrophobicContact CD1-CG2 3.86Å; I19-V157 HydrophobicContact CG2-CG2 3.86Å; K153-V157 PolarHBondContact O-N 2.87Å; I154-V157 WeakPolarHBondContact O-CB 3.17Å; I154-V157 WeakPolarHBondContact O-CG2 3.2Å; I154-V157 PolarHBondContact O-N 3.04Å; I154-V157 VanDerWaalsContact O-N 3.08Å; V157-T159 PolarHBondContact O-N 3.08Å; V157-P165 HydrophobicContact CG1-CB 4.07Å; V157-L167 HydrophobicContact CG1-CB 4.31Å; V157-I169 HydrophobicContact CB-CD1 3.93Å; V157-I169 HydrophobicContact CG1-CD1 4.08Å; V157-I169 HydrophobicContact CG2-CD1 3.74Å; V157-I169 HydrophobicContact CG2-CG1 4.36Å
158	P	97.9	Very high	97.5	Very high	78 Å²	78	68.8 Å²	68.8	51%	0.506	37%	0.365	S	S	.	.			trans	-57.9	130.3	174.8	-25.7	34.7	0	0	0	112	K166	P158-K166 HydrophobicContact CB-CD 4.15Å; P158-K166 WeakPolarHBondContact O-CB 3.2Å; P158-K166 WeakPolarHBondContact O-CG 3.25Å; P158-K166 PolarHBondContact O-N 2.56Å
159	T	98.3	Very high	97.6	Very high	48 Å²	48	65.3 Å²	65.3	29%	0.294	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-110.3	156.6	178.9	58.8	0	0	0	0	112.1	V68 V157 K164 K166	V68-T159 HydrophobicContact CB-CG2 4.05Å; V68-T159 HydrophobicContact CG1-CG2 4.25Å; V68-T159 WeakPolarHBondContact O-CG2 3.36Å; V157-T159 PolarHBondContact O-N 3.08Å; T159-K164 CarbonylContact C-O 3.53Å; T159-K164 VanDerWaalsContact CA-O 3.31Å; T159-K164 WeakPolarHBondContact CA-O 3.37Å; T159-K166 VanDerWaalsContact O-CE 3.29Å; T159-K166 WeakPolarHBondContact O-CE 3.13Å
160	G	97.1	Very high	97.7	Very high	24 Å²	24	61.3 Å²	61.3	25%	0.247	33%	0.326	C	S	.	.			trans	-106.8	-156.2	171.9	0	0	0	0	0	111.9	N163 K164	G160-N163 PolarHBondContact O-N 3.15Å; G160-N163 VanDerWaalsContact O-N 3.15Å; G160-K164 PolarHBondContact N-O 3.26Å
161	P	96.3	Very high	97.7	Very high	115 Å²	115	60.7 Å²	60.7	75%	0.747	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-50.7	146.3	174.3	-26.4	35.2	0	0	0	112.5	N163 K164	P161-N163 PolarHBondContact O-N 3.08Å; P161-N163 VanDerWaalsContact O-N 3.14Å; P161-K164 PolarHBondContact O-N 3.39Å
162	N	94.6	Very high	97.7	Very high	147 Å²	147	62.9 Å²	62.9	79%	0.786	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	57.9	19	-176.1	-61.7	-24.8	0	0	0	115.3	K164	N162-K164 PolarHBondContact O-N 2.9Å
163	N	97.8	Very high	97.8	Very high	62 Å²	62	62.9 Å²	62.9	33%	0.332	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	61.7	27.3	-176.6	-60.4	-62.8	0	0	0	113.5	R67 V68 I69 G160 P161	R67-N163 HydrophobicContact CG-CB 4.32Å; V68-N163 PolarHBondContact N-O 2.98Å; V68-N163 WeakPolarHBondContact O-CB 3.43Å; I69-N163 HydrophobicContact CD1-CB 4.37Å; I69-N163 HydrophobicContact CG1-CB 3.66Å; G160-N163 PolarHBondContact O-N 3.15Å; G160-N163 VanDerWaalsContact O-N 3.15Å; P161-N163 PolarHBondContact O-N 3.08Å; P161-N163 VanDerWaalsContact O-N 3.14Å
164	K	97.7	Very high	97.8	Very high	130 Å²	130	58.2 Å²	58.2	57%	0.565	33%	0.325	S	S	*	.			trans	-74.5	128.4	173.8	-176.8	169.8	-179	169.4	0	109.8	T159 G160 P161 N162 K166	T159-K164 CarbonylContact C-O 3.53Å; T159-K164 VanDerWaalsContact CA-O 3.31Å; T159-K164 WeakPolarHBondContact CA-O 3.37Å; G160-K164 PolarHBondContact N-O 3.26Å; P161-K164 PolarHBondContact O-N 3.39Å; N162-K164 PolarHBondContact O-N 2.9Å; K164-K166 PolarHBondContact O-N 2.96Å
165	P	97.9	Very high	97.8	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.104	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-55.5	136.2	175	-29.2	38.4	0	0	0	112.9	F65 V68 V157 L167 I169	F65-P165 WeakPolarHBondContact O-CG 3.4Å; V68-P165 HydrophobicContact CB-CG 3.96Å; V68-P165 HydrophobicContact CG2-CG 3.5Å; V68-P165 VanDerWaalsContact CG2-CG 3.5Å; V157-P165 HydrophobicContact CG1-CB 4.07Å; P165-L167 VanDerWaalsContact C-N 3.35Å; P165-L167 VanDerWaalsContact CB-O 3.28Å; P165-L167 WeakPolarHBondContact CB-O 3.33Å; P165-I169 HydrophobicContact CB-CD1 3.93Å; P165-I169 HydrophobicContact CB-CG1 4.13Å; P165-I169 HydrophobicContact CG-CD1 3.82Å; P165-I169 HydrophobicContact CG-CG1 4.35Å
166	K	97.8	Very high	97.8	Very high	149 Å²	149	62 Å²	62	65%	0.648	35%	0.345	S	S	*	.	S	Bend	trans	-72.6	-31.3	174.1	-68.1	-174.5	-179.1	179.7	0	112.1	P158 T159 K164	P158-K166 HydrophobicContact CB-CD 4.15Å; P158-K166 WeakPolarHBondContact O-CB 3.2Å; P158-K166 WeakPolarHBondContact O-CG 3.25Å; P158-K166 PolarHBondContact O-N 2.56Å; T159-K166 VanDerWaalsContact O-CE 3.29Å; T159-K166 WeakPolarHBondContact O-CE 3.13Å; K164-K166 PolarHBondContact O-N 2.96Å
167	L	97.4	Very high	97.5	Very high	84 Å²	84	64.1 Å²	64.1	44%	0.44	35%	0.354	S	S	.	.	S	Bend	trans	-101.7	134.2	173.2	-62.9	175.7	0	0	0	108.7	I19 V157 P165 I169	I19-L167 HydrophobicContact CG2-CB 4.21Å; I19-L167 HydrophobicContact CG2-CD1 4.29Å; V157-L167 HydrophobicContact CG1-CB 4.31Å; P165-L167 VanDerWaalsContact C-N 3.35Å; P165-L167 VanDerWaalsContact CB-O 3.28Å; P165-L167 WeakPolarHBondContact CB-O 3.33Å; L167-I169 PolarHBondContact O-N 3.32Å
168	P	97	Very high	97.5	Very high	75 Å²	75	66.7 Å²	66.7	49%	0.487	37%	0.368	S	S	.	.			trans	-58	129.6	174.1	-23.9	33.4	0	0	0	111	I19 G20 L170	I19-P168 CarbonylContact C-O 3.53Å; I19-P168 WeakPolarHBondContact CA-O 3.44Å; G20-P168 PolarHBondContact N-O 3.19Å; P168-L170 HydrophobicContact CB-CD1 3.94Å; P168-L170 HydrophobicContact CB-CG 4.5Å
169	I	98.4	Very high	97.5	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.3	173.9	-51.6	179.7	0	0	0	106.5	I17 T18 I19 T64 F65 V68 I154 V157 P165 L167	I17-I169 HydrophobicContact CG2-CG2 3.96Å; T18-I169 CarbonylContact O-C 3.54Å; T18-I169 WeakPolarHBondContact O-CA 3.47Å; I19-I169 HydrophobicContact CG1-CG1 4.43Å; I19-I169 HydrophobicContact CG1-CG2 4.27Å; T64-I169 CarbonylContact C-O 3.53Å; T64-I169 WeakPolarHBondContact CA-O 3.47Å; T64-I169 WeakPolarHBondContact CB-O 3.5Å; F65-I169 HydrophobicContact CB-CB 4.14Å; F65-I169 HydrophobicContact CB-CG2 4.17Å; F65-I169 HydrophobicContact CD2-CB 4.42Å; F65-I169 HydrophobicContact CD2-CG2 3.68Å; F65-I169 HydrophobicContact CG-CG2 4.25Å; F65-I169 PolarHBondContact N-O 3.18Å; V68-I169 HydrophobicContact CG2-CD1 4Å; I154-I169 HydrophobicContact CB-CD1 4.47Å; I154-I169 HydrophobicContact CD1-CG2 4.35Å; I154-I169 HydrophobicContact CG1-CG2 3.93Å; I154-I169 HydrophobicContact CG2-CD1 3.7Å; I154-I169 HydrophobicContact CG2-CG2 4.14Å; V157-I169 HydrophobicContact CB-CD1 3.93Å; V157-I169 HydrophobicContact CG1-CD1 4.08Å; V157-I169 HydrophobicContact CG2-CD1 3.74Å; V157-I169 HydrophobicContact CG2-CG1 4.36Å; P165-I169 HydrophobicContact CB-CD1 3.93Å; P165-I169 HydrophobicContact CB-CG1 4.13Å; P165-I169 HydrophobicContact CG-CD1 3.82Å; P165-I169 HydrophobicContact CG-CG1 4.35Å; L167-I169 PolarHBondContact O-N 3.32Å
170	L	98.3	Very high	97.5	Very high	52 Å²	52	67.1 Å²	67.1	27%	0.272	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143	-170.9	-70.1	132.7	0	0	0	111	I17 T18 C63 T64 P168 A172	I17-L170 WeakPolarHBondContact CA-O 3.47Å; T18-L170 PolarHBondContact N-O 2.91Å; T18-L170 PolarHBondContact O-N 3.26Å; C63-L170 WeakPolarHBondContact O-CA 3.24Å; T64-L170 HydrophobicContact CG2-CD2 3.71Å; T64-L170 HydrophobicContact CG2-CG 4Å; P168-L170 HydrophobicContact CB-CD1 3.94Å; P168-L170 HydrophobicContact CB-CG 4.5Å; L170-A172 PolarHBondContact O-N 2.84Å
171	I	98.7	Very high	97.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	90.1	163.3	-58.2	170.8	0	0	0	106.4	F15 D16 I17 F60 G62 C63 F65 F124 Q173 C174	F15-I171 HydrophobicContact CB-CG2 4.12Å; F15-I171 HydrophobicContact CD1-CD1 4.3Å; F15-I171 HydrophobicContact CD1-CG2 3.6Å; F15-I171 HydrophobicContact CD2-CD1 4.26Å; F15-I171 HydrophobicContact CE1-CD1 4.22Å; F15-I171 HydrophobicContact CE1-CG2 4.21Å; F15-I171 HydrophobicContact CE2-CD1 4.17Å; F15-I171 HydrophobicContact CG-CD1 4.33Å; F15-I171 HydrophobicContact CG-CG1 4.41Å; F15-I171 HydrophobicContact CG-CG2 4Å; F15-I171 HydrophobicContact CZ-CD1 4.14Å; D16-I171 CarbonylContact O-C 3.46Å; I17-I171 HydrophobicContact CD1-CG1 3.97Å; F60-I171 HydrophobicContact CB-CD1 4.04Å; F60-I171 WeakPolarHBondContact O-CB 3.23Å; G62-I171 PolarHBondContact N-O 3.04Å; C63-I171 PolarHBondContact O-N 3.12Å; F65-I171 HydrophobicContact CE2-CD1 4.22Å; F65-I171 HydrophobicContact CE2-CG1 3.89Å; F124-I171 HydrophobicContact CZ-CD1 4.17Å; I171-Q173 VanDerWaalsContact C-N 3.34Å; I171-C174 HydrophobicContact CG2-CB 3.84Å
172	A	98.4	Very high	97.6	Very high	46 Å²	46	66.8 Å²	66.8	38%	0.38	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-35.3	-174.6	0	0	0	0	0	112.3	D16 T18 L170	D16-A172 PolarHBondContact O-N 3.22Å; T18-A172 HydrophobicContact CG2-CB 3.74Å; L170-A172 PolarHBondContact O-N 2.84Å
173	Q	98.5	Very high	97.8	Very high	75 Å²	75	61.5 Å²	61.5	35%	0.35	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.7	172.7	-179.8	64.9	-59.6	0	0	110.1	F14 D16 I171	F14-Q173 HydrophobicContact CE2-CG 4.03Å; F14-Q173 HydrophobicContact CZ-CG 4.34Å; D16-Q173 HydrophobicContact CB-CB 4.03Å; D16-Q173 PolarHBondContact N-O 2.75Å; I171-Q173 VanDerWaalsContact C-N 3.34Å
174	C	98.6	Very high	97.8	Very high	12 Å²	12	61.4 Å²	61.4	8%	0.081	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	162.6	175.4	60	0	0	0	0	110.9	F14 F15 C47 K61 I171	F14-C174 VanDerWaalsContact O-CA 3.23Å; F14-C174 WeakPolarHBondContact O-CA 3.43Å; F14-C174 WeakPolarHBondContact O-CB 3.4Å; F15-C174 HydrophobicContact CD1-CB 3.5Å; F15-C174 HydrophobicContact CE1-CB 3.8Å; C47-C174 CarbonylContact O-C 3.54Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.9Å; K61-C174 PolarHBondContact N-SG 2.76Å; I171-C174 HydrophobicContact CG2-CB 3.84Å
175	G	98.5	Very high	97.8	Very high	8 Å²	8	56.2 Å²	56.2	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-167	179.2	0	0	0	0	0	112.1	V13 F14 C47	V13-G175 CarbonylContact C-O 3.6Å; V13-G175 VanDerWaalsContact CA-O 3.23Å; V13-G175 WeakPolarHBondContact CA-O 3.34Å; V13-G175 VanDerWaalsContact CB-O 3.29Å; V13-G175 WeakPolarHBondContact CB-O 3.42Å; F14-G175 WeakPolarHBondContact CD1-O 3.44Å; F14-G175 PolarHBondContact N-O 2.84Å; F14-G175 PolarHBondContact O-N 2.71Å; C47-G175 WeakPolarHBondContact O-CA 3.42Å; C47-G175 PolarHBondContact O-N 3.49Å
176	E	97.9	Very high	97.8	Very high	77 Å²	77	59.5 Å²	59.5	36%	0.36	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.5	173.1	-171.2	168.7	-173.4	0	0	109.9	I12 R44 T48	I12-E176 WeakPolarHBondContact O-CG 3.39Å; R44-E176 VanDerWaalsContact CD-OE2 3.29Å; R44-E176 WeakPolarHBondContact CD-OE2 3.4Å; R44-E176 IonicContact CZ-OE2 2.84Å; R44-E176 IonicContact NE-OE2 3.7Å; R44-E176 IonicContact NH1-OE2 2.9Å; R44-E176 PolarHBondContact NH1-OE2 2.71Å; T48-E176 HydrophobicContact CG2-CB 3.71Å
177	M	93.5	Very high	97.8	Very high	135 Å²	135	51.4 Å²	51.4	67%	0.665	28%	0.284	S	S	*	.			trans	-97.4	0	-176.4	-70.4	-66.4	-48.4	0	0	112.7	I12 F14	I12-M177 HydrophobicContact CB-CB 4.16Å; I12-M177 HydrophobicContact CG2-CB 4.01Å; I12-M177 HydrophobicContact CG2-CG 3.87Å; I12-M177 PolarHBondContact O-N 3.45Å; F14-M177 HydrophobicContact CB-CG 4.25Å; F14-M177 HydrophobicContact CB-SD 4.07Å; F14-M177 HydrophobicContact CD1-CG 3.97Å; F14-M177 HydrophobicContact CD1-SD 3.55Å; F14-M177 VanDerWaalsContact CD1-SD 3.55Å; F14-M177 HydrophobicContact CE1-SD 4.3Å; F14-M177 HydrophobicContact CG-SD 4.01Å

Retrieved 177 of 177 residues in 414.5 ms (Link to these results)

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