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Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB (A0A674DRE8), UniProt , Accession A0A060WFE4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110528306, Length 166 aa.

						>A0A060WFE4_ONCMY|A0A060WFE4|LOC110528306
MSGIPPDTWQPPTVSLETTMGTIVVELYWRHAPKTCKNFAELARRGYYNNTKFHRIIKDFMVQGGDPTGTGRGGASIFGKQFEDELNPDLKFTGAGILAMANAGPDTNGSQFFLTLGPTQWLDGKHSIFGRVCQGISVVNRVGMVETNSQDRPADDIKILRTTVPN
					

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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	41.9	Very low	83.6	Confident	248 Å²	248	88.8 Å²	88.8	100%	1.222	51%	0.507	S	S	*	.				0	101.2	0	-68.6	178.5	-166.9	0	0	107.7	G3	M1-G3 PolarHBondContact O-N 3.29Å
2	S	56.8	Low	84.7	Confident	73 Å²	73	88.3 Å²	88.3	51%	0.51	51%	0.51	S	S	.	.			trans	-76.5	112.3	172.9	53.3	0	0	0	0	108.3	R45	S2-R45 PolarHBondContact O-NH2 2.84Å; S2-R45 PolarHBondContact OG-NH2 3.13Å
3	G	80.1	Confident	85.7	Confident	57 Å²	57	84.5 Å²	84.5	59%	0.588	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-61.2	172.6	177.1	0	0	0	0	0	112.9	M1 R45	M1-G3 PolarHBondContact O-N 3.29Å; G3-R45 PolarHBondContact O-NH2 2.89Å
4	I	87.7	Confident	86.6	Confident	90 Å²	90	78.5 Å²	78.5	46%	0.462	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-63.1	131.4	170.7	-63.5	168.6	0	0	0	108	K37 I77 F78	I4-K37 HydrophobicContact CG2-CD 3.79Å; I4-I77 HydrophobicContact CG2-CD1 4.18Å; I4-F78 HydrophobicContact CD1-CD1 3.81Å; I4-F78 HydrophobicContact CD1-CE1 4.27Å; I4-F78 HydrophobicContact CG2-CE1 4.41Å
5	P	90.9	Very high	87.4	Confident	15 Å²	15	75.2 Å²	75.2	10%	0.097	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.6	178.5	-25.9	34.7	0	0	0	113.2	W9 K37 E41	P5-W9 HydrophobicContact CB-CB 4.15Å; P5-W9 HydrophobicContact CB-CD2 3.91Å; P5-W9 HydrophobicContact CB-CE3 3.44Å; P5-W9 VanDerWaalsContact CB-CE3 3.44Å; P5-W9 HydrophobicContact CB-CG 4.24Å; P5-W9 HydrophobicContact CB-CZ3 4.1Å; P5-W9 HydrophobicContact CG-CD2 4.38Å; P5-W9 HydrophobicContact CG-CE3 3.72Å; P5-W9 HydrophobicContact CG-CZ3 3.85Å; P5-K37 PolarHBondContact O-NZ 2.77Å; P5-E41 HydrophobicContact CG-CB 4.07Å; P5-E41 VanDerWaalsContact CG-CD 3.42Å; P5-E41 HydrophobicContact CG-CG 3.84Å; P5-E41 WeakPolarHBondContact CG-OE2 3.28Å
6	P	92.1	Very high	88.1	Confident	82 Å²	82	70.5 Å²	70.5	53%	0.532	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-63.1	157.2	175.8	29.6	-35.7	0	0	0	111.2	T8 W9	P6-T8 PolarHBondContact O-N 3.31Å; P6-T8 VanDerWaalsContact O-N 3.16Å; P6-W9 HydrophobicContact CG-CB 4.29Å; P6-W9 WeakPolarHBondContact O-CB 3.48Å; P6-W9 PolarHBondContact O-N 3.23Å
7	D	90.8	Very high	88.7	Confident	124 Å²	124	69.6 Å²	69.6	66%	0.663	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.2	179	-65.4	-33.5	0	0	0	113.7	W9 Q10 K37	D7-W9 PolarHBondContact O-N 3.08Å; D7-Q10 WeakPolarHBondContact O-CG 3.24Å; D7-Q10 PolarHBondContact O-NE2 3.46Å; D7-K37 IonicContact OD1-NZ 2.8Å; D7-K37 PolarHBondContact OD1-NZ 2.95Å
8	T	91.9	Very high	89.2	Confident	128 Å²	128	66.3 Å²	66.3	79%	0.785	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.5	173.8	53.3	0	0	0	0	113	P6 Q10	P6-T8 PolarHBondContact O-N 3.31Å; P6-T8 VanDerWaalsContact O-N 3.16Å; T8-Q10 PolarHBondContact O-N 2.88Å
9	W	94.9	Very high	89.6	Confident	50 Å²	50	66.6 Å²	66.6	19%	0.189	39%	0.385	C	S	.	.			trans	-84.4	100.9	177.4	-177.3	72	0	0	0	110.3	P5 P6 D7 P11 W29 A40 E41 R44 V164	P5-W9 HydrophobicContact CB-CB 4.15Å; P5-W9 HydrophobicContact CB-CD2 3.91Å; P5-W9 HydrophobicContact CB-CE3 3.44Å; P5-W9 VanDerWaalsContact CB-CE3 3.44Å; P5-W9 HydrophobicContact CB-CG 4.24Å; P5-W9 HydrophobicContact CB-CZ3 4.1Å; P5-W9 HydrophobicContact CG-CD2 4.38Å; P5-W9 HydrophobicContact CG-CE3 3.72Å; P5-W9 HydrophobicContact CG-CZ3 3.85Å; P6-W9 HydrophobicContact CG-CB 4.29Å; P6-W9 WeakPolarHBondContact O-CB 3.48Å; P6-W9 PolarHBondContact O-N 3.23Å; D7-W9 PolarHBondContact O-N 3.08Å; W9-P11 HydrophobicContact CD2-CG 4.4Å; W9-P11 HydrophobicContact CH2-CG 4.05Å; W9-P11 HydrophobicContact CZ2-CG 3.74Å; W9-P11 HydrophobicContact CZ3-CG 4.46Å; W9-W29 HydrophobicContact CE3-CH2 4.42Å; W9-W29 HydrophobicContact CZ3-CH2 4.5Å; W9-A40 HydrophobicContact CH2-CB 3.58Å; W9-A40 HydrophobicContact CZ3-CB 3.78Å; W9-E41 HydrophobicContact CH2-CB 4.23Å; W9-E41 HydrophobicContact CZ3-CB 4.01Å; W9-R44 HydrophobicContact CH2-CB 4.39Å; W9-R44 HydrophobicContact CZ2-CB 4.42Å; W9-R44 HydrophobicContact CZ2-CG 4.49Å; W9-V164 HydrophobicContact CZ2-CG1 3.96Å
10	Q	96.1	Very high	90	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	38%	0.38	S	S	.	.			trans	-135.4	68.9	-174.8	-60.4	-176.2	13.5	0	0	111.3	D7 T8 W29	D7-Q10 WeakPolarHBondContact O-CG 3.24Å; D7-Q10 PolarHBondContact O-NE2 3.46Å; T8-Q10 PolarHBondContact O-N 2.88Å; Q10-W29 HydrophobicContact CB-CD2 3.76Å; Q10-W29 HydrophobicContact CB-CE3 4.15Å; Q10-W29 HydrophobicContact CB-CG 3.96Å; Q10-W29 HydrophobicContact CB-CZ2 4.43Å; Q10-W29 HydrophobicContact CG-CD2 3.88Å; Q10-W29 HydrophobicContact CG-CE3 3.77Å; Q10-W29 HydrophobicContact CG-CG 4.27Å; Q10-W29 HydrophobicContact CG-CZ3 4.17Å
11	P	96.4	Very high	90.4	Very high	7 Å²	7	64.3 Å²	64.3	5%	0.045	38%	0.376	C	S	.	.			trans	-58.6	127.4	176.5	24.5	-35.4	0	0	0	110.2	W9 T13 W29 A40 V164 P165	W9-P11 HydrophobicContact CD2-CG 4.4Å; W9-P11 HydrophobicContact CH2-CG 4.05Å; W9-P11 HydrophobicContact CZ2-CG 3.74Å; W9-P11 HydrophobicContact CZ3-CG 4.46Å; P11-T13 VanDerWaalsContact C-N 3.25Å; P11-T13 PolarHBondContact O-N 2.71Å; P11-W29 VanDerWaalsContact CD-CZ2 3.47Å; P11-W29 HydrophobicContact CG-CZ2 3.88Å; P11-W29 PolarHBondContact O-NE1 3.49Å; P11-A40 HydrophobicContact CG-CB 3.86Å; P11-V164 HydrophobicContact CB-CG1 3.39Å; P11-V164 HydrophobicContact CG-CG1 3.44Å; P11-V164 VanDerWaalsContact CG-CG1 3.44Å; P11-P165 HydrophobicContact CB-CG 4.28Å
12	P	96.8	Very high	93	Very high	83 Å²	83	55.7 Å²	55.7	54%	0.539	34%	0.337	S	S	.	.	S	Bend	trans	-69.7	-26	-171.7	27.6	-35.6	0	0	0	112.6	E26 L27	P12-E26 WeakPolarHBondContact O-CA 3.47Å; P12-L27 PolarHBondContact O-N 3.15Å
13	T	98	Very high	95	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.6	-175	61.5	0	0	0	0	112.5	P11 V24 V25 P165	P11-T13 VanDerWaalsContact C-N 3.25Å; P11-T13 PolarHBondContact O-N 2.71Å; T13-V24 HydrophobicContact CG2-CG1 4.37Å; T13-V25 CarbonylContact C-O 3.56Å; T13-V25 WeakPolarHBondContact CA-O 3.5Å; T13-V25 VanDerWaalsContact CB-O 3.32Å; T13-V25 WeakPolarHBondContact CB-O 3.27Å; T13-P165 WeakPolarHBondContact O-CD 3.43Å
14	V	98.3	Very high	95.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.7	168.5	178	0	0	0	0	108	L16 V24 V25 L27 F39 A40 A43 V164	V14-L16 HydrophobicContact CG1-CD2 4.01Å; V14-V24 WeakPolarHBondContact O-CA 3.37Å; V14-V25 HydrophobicContact CB-CG2 3.92Å; V14-V25 PolarHBondContact N-O 3.32Å; V14-V25 WeakPolarHBondContact O-CG2 3.49Å; V14-V25 PolarHBondContact O-N 2.92Å; V14-L27 HydrophobicContact CG2-CD1 3.86Å; V14-L27 HydrophobicContact CG2-CG 4.38Å; V14-F39 HydrophobicContact CB-CD1 4.47Å; V14-F39 HydrophobicContact CB-CE1 3.83Å; V14-F39 HydrophobicContact CG1-CE1 3.88Å; V14-F39 HydrophobicContact CG2-CD1 4.08Å; V14-F39 HydrophobicContact CG2-CE1 3.94Å; V14-A40 HydrophobicContact CG2-CB 4.36Å; V14-A43 HydrophobicContact CG1-CB 3.69Å; V14-V164 HydrophobicContact CG1-CG2 4.39Å; V14-V164 HydrophobicContact CG2-CG2 4.25Å
15	S	98.3	Very high	96.4	Very high	29 Å²	29	46 Å²	46	20%	0.203	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.8	175.5	-58	0	0	0	0	110.1	T162 T163	S15-T162 CarbonylContact O-C 3.45Å; S15-T162 VanDerWaalsContact O-CA 3.24Å; S15-T162 WeakPolarHBondContact O-CA 3.44Å; S15-T163 PolarHBondContact N-O 3.47Å; S15-T163 PolarHBondContact O-N 2.84Å
16	L	98.3	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	104.3	175.4	-50.1	178.4	0	0	0	107.9	V14 T18 T22 I23 F39 F112 I159 T162	V14-L16 HydrophobicContact CG1-CD2 4.01Å; L16-T18 HydrophobicContact CB-CG2 4.5Å; L16-T18 PolarHBondContact O-N 2.92Å; L16-T22 WeakPolarHBondContact O-CA 3.45Å; L16-I23 HydrophobicContact CB-CB 4.41Å; L16-I23 PolarHBondContact N-O 3.17Å; L16-I23 PolarHBondContact O-N 3.45Å; L16-F39 HydrophobicContact CD1-CZ 4.5Å; L16-F39 HydrophobicContact CD2-CZ 4.23Å; L16-F112 HydrophobicContact CD1-CE2 4.34Å; L16-F112 HydrophobicContact CD1-CZ 4.15Å; L16-I159 HydrophobicContact CB-CG2 4.37Å; L16-T162 HydrophobicContact CD2-CG2 3.39Å
17	E	98.3	Very high	97	Very high	56 Å²	56	45 Å²	45	26%	0.262	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.5	172.8	-69.8	173.2	-167.2	0	0	108.2	I159 L160 R161	E17-I159 CarbonylContact O-C 3.42Å; E17-L160 WeakPolarHBondContact O-CB 3.42Å; E17-L160 PolarHBondContact O-N 3.05Å; E17-R161 HydrophobicContact CB-CB 4.33Å; E17-R161 VanDerWaalsContact CD-NH2 3.35Å; E17-R161 PolarHBondContact N-O 2.87Å; E17-R161 PolarHBondContact O-N 2.54Å; E17-R161 IonicContact OE1-CZ 3.48Å; E17-R161 IonicContact OE1-NE 3.45Å; E17-R161 PolarHBondContact OE1-NE 3.42Å; E17-R161 IonicContact OE1-NH2 2.71Å; E17-R161 PolarHBondContact OE1-NH2 3.27Å; E17-R161 IonicContact OE2-CZ 3.42Å; E17-R161 IonicContact OE2-NE 2.87Å; E17-R161 PolarHBondContact OE2-NE 3.14Å; E17-R161 IonicContact OE2-NH2 3.17Å; E17-R161 PolarHBondContact OE2-NH2 3.48Å; E17-R161 VanDerWaalsContact OE2-NH2 3.17Å
18	T	98.1	Very high	97.4	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	166.1	-179.2	79.8	0	0	0	0	111.8	L16 M20 G21 I23 F53 K158 I159	L16-T18 HydrophobicContact CB-CG2 4.5Å; L16-T18 PolarHBondContact O-N 2.92Å; T18-M20 PolarHBondContact O-N 2.85Å; T18-M20 VanDerWaalsContact O-N 3.1Å; T18-M20 PolarHBondContact OG1-N 2.89Å; T18-M20 VanDerWaalsContact OG1-N 3.17Å; T18-G21 WeakPolarHBondContact CA-O 3.44Å; T18-G21 WeakPolarHBondContact CB-O 3.37Å; T18-G21 PolarHBondContact N-O 2.93Å; T18-G21 PolarHBondContact O-N 3.17Å; T18-G21 VanDerWaalsContact O-N 3.13Å; T18-G21 PolarHBondContact OG1-N 3.1Å; T18-G21 PolarHBondContact OG1-O 3.28Å; T18-I23 HydrophobicContact CG2-CD1 4Å; T18-F53 HydrophobicContact CG2-CE2 4Å; T18-F53 HydrophobicContact CG2-CZ 4.39Å; T18-K158 CarbonylContact C-O 3.51Å; T18-K158 WeakPolarHBondContact CA-O 3.35Å; T18-K158 WeakPolarHBondContact CB-O 3.43Å; T18-I159 HydrophobicContact CG2-CG1 4.39Å
19	T	97.6	Very high	97.6	Very high	73 Å²	73	36.3 Å²	36.3	45%	0.448	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.5	171.8	52	0	0	0	0	113.6	K158 L160	T19-K158 HydrophobicContact CG2-CB 4Å; T19-K158 PolarHBondContact N-O 2.65Å; T19-K158 PolarHBondContact OG1-N 3.4Å; T19-L160 HydrophobicContact CG2-CD1 4.35Å; T19-L160 HydrophobicContact CG2-CD2 3.81Å; T19-L160 HydrophobicContact CG2-CG 4.13Å
20	M	96.6	Very high	97.7	Very high	56 Å²	56	45.4 Å²	45.4	28%	0.276	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	2.4	179.4	-63.5	-169.4	79.6	0	0	113.8	T18 V138 R141 V142 V145 I157	T18-M20 PolarHBondContact O-N 2.85Å; T18-M20 VanDerWaalsContact O-N 3.1Å; T18-M20 PolarHBondContact OG1-N 2.89Å; T18-M20 VanDerWaalsContact OG1-N 3.17Å; M20-V138 HydrophobicContact CB-CG1 4.08Å; M20-V138 WeakPolarHBondContact O-CG1 3.49Å; M20-R141 HydrophobicContact CE-CB 3.87Å; M20-R141 PolarHBondContact O-NH2 3.23Å; M20-V142 HydrophobicContact CB-CG2 4.11Å; M20-V142 HydrophobicContact CG-CG2 4.31Å; M20-V142 HydrophobicContact SD-CB 4.34Å; M20-V142 HydrophobicContact SD-CG2 3.57Å; M20-V142 VanDerWaalsContact SD-CG2 3.57Å; M20-V145 HydrophobicContact CE-CG1 4.21Å; M20-V145 HydrophobicContact SD-CG1 4.13Å; M20-I157 HydrophobicContact CG-CG2 4.15Å; M20-I157 HydrophobicContact SD-CD1 3.58Å; M20-I157 VanDerWaalsContact SD-CD1 3.58Å; M20-I157 HydrophobicContact SD-CG1 3.97Å; M20-I157 HydrophobicContact SD-CG2 4.23Å
21	G	97.6	Very high	97.7	Very high	28 Å²	28	43.9 Å²	43.9	29%	0.289	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	127.2	-179.5	-177.9	0	0	0	0	0	113.2	T18	T18-G21 WeakPolarHBondContact CA-O 3.44Å; T18-G21 WeakPolarHBondContact CB-O 3.37Å; T18-G21 PolarHBondContact N-O 2.93Å; T18-G21 PolarHBondContact O-N 3.17Å; T18-G21 VanDerWaalsContact O-N 3.13Å; T18-G21 PolarHBondContact OG1-N 3.1Å; T18-G21 PolarHBondContact OG1-O 3.28Å
22	T	98.2	Very high	97.8	Very high	68 Å²	68	43.6 Å²	43.6	42%	0.417	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.2	-177.2	-58.3	0	0	0	0	111.3	L16 V24	L16-T22 WeakPolarHBondContact O-CA 3.45Å; T22-V24 HydrophobicContact CG2-CG2 4.16Å
23	I	98.5	Very high	97.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.6	171.7	-61.8	160	0	0	0	107.2	L16 T18 V25 L114 V132 V138 V139	L16-I23 HydrophobicContact CB-CB 4.41Å; L16-I23 PolarHBondContact N-O 3.17Å; L16-I23 PolarHBondContact O-N 3.45Å; T18-I23 HydrophobicContact CG2-CD1 4Å; I23-V25 HydrophobicContact CG2-CG1 4.21Å; I23-L114 HydrophobicContact CG2-CD1 4.33Å; I23-V132 HydrophobicContact CG2-CG1 4.09Å; I23-V132 HydrophobicContact CG2-CG2 4.11Å; I23-V138 HydrophobicContact CD1-CB 4.41Å; I23-V138 HydrophobicContact CD1-CG1 4.1Å; I23-V138 HydrophobicContact CG1-CB 3.88Å; I23-V138 HydrophobicContact CG1-CG1 3.94Å; I23-V139 HydrophobicContact CD1-CG2 3.66Å; I23-V139 HydrophobicContact CG1-CG2 3.84Å; I23-V139 HydrophobicContact CG2-CG2 3.93Å
24	V	98.4	Very high	97.7	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.6	174.5	-169.8	0	0	0	0	108.1	T13 V14 T22 V132 C133 Q134	T13-V24 HydrophobicContact CG2-CG1 4.37Å; V14-V24 WeakPolarHBondContact O-CA 3.37Å; T22-V24 HydrophobicContact CG2-CG2 4.16Å; V24-V132 WeakPolarHBondContact O-CA 3.11Å; V24-C133 PolarHBondContact O-N 3Å; V24-C133 PolarHBondContact O-SG 3.04Å; V24-C133 VanDerWaalsContact O-SG 3.32Å; V24-Q134 HydrophobicContact CB-CB 3.93Å; V24-Q134 HydrophobicContact CB-CG 4.35Å; V24-Q134 HydrophobicContact CG2-CB 4.01Å; V24-Q134 PolarHBondContact N-O 2.88Å; V24-Q134 PolarHBondContact O-N 3.05Å; V24-Q134 VanDerWaalsContact O-N 3.16Å
25	V	98.5	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.2	176.7	-60.6	0	0	0	0	110.3	T13 V14 I23 L27 F39 L98 L114 R131 V132	T13-V25 CarbonylContact C-O 3.56Å; T13-V25 WeakPolarHBondContact CA-O 3.5Å; T13-V25 VanDerWaalsContact CB-O 3.32Å; T13-V25 WeakPolarHBondContact CB-O 3.27Å; V14-V25 HydrophobicContact CB-CG2 3.92Å; V14-V25 PolarHBondContact N-O 3.32Å; V14-V25 WeakPolarHBondContact O-CG2 3.49Å; V14-V25 PolarHBondContact O-N 2.92Å; I23-V25 HydrophobicContact CG2-CG1 4.21Å; V25-L27 HydrophobicContact CG2-CD2 4.28Å; V25-F39 HydrophobicContact CG2-CE1 3.83Å; V25-F39 HydrophobicContact CG2-CZ 4.31Å; V25-L98 HydrophobicContact CB-CD2 3.97Å; V25-L98 HydrophobicContact CG1-CD2 4.2Å; V25-L98 HydrophobicContact CG2-CD2 3.87Å; V25-L114 HydrophobicContact CG1-CD2 4.36Å; V25-R131 CarbonylContact C-O 3.52Å; V25-R131 WeakPolarHBondContact CA-O 3.39Å; V25-V132 HydrophobicContact CG1-CG2 4.25Å
26	E	98.3	Very high	97.7	Very high	66 Å²	66	43.2 Å²	43.2	31%	0.308	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.4	167.4	177.2	-175.9	-163.7	0	0	109.1	P12 G130 R131 C133	P12-E26 WeakPolarHBondContact O-CA 3.47Å; E26-G130 CarbonylContact O-C 3.51Å; E26-G130 WeakPolarHBondContact O-CA 3.37Å; E26-R131 HydrophobicContact CB-CG 4.44Å; E26-R131 PolarHBondContact N-O 3.16Å; E26-R131 PolarHBondContact O-N 2.85Å; E26-R131 IonicContact OE2-CZ 2.83Å; E26-R131 IonicContact OE2-NE 3.34Å; E26-R131 PolarHBondContact OE2-NE 3.41Å; E26-R131 IonicContact OE2-NH2 2.82Å; E26-R131 PolarHBondContact OE2-NH2 2.92Å; E26-C133 HydrophobicContact CB-CB 4.06Å
27	L	98.3	Very high	97.6	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.6	-176.5	-61.2	-173.7	0	0	0	112.4	P12 V14 V25 W29 C36 F39 A40 L98 F129	P12-L27 PolarHBondContact O-N 3.15Å; V14-L27 HydrophobicContact CG2-CD1 3.86Å; V14-L27 HydrophobicContact CG2-CG 4.38Å; V25-L27 HydrophobicContact CG2-CD2 4.28Å; L27-W29 HydrophobicContact CD1-CZ2 3.91Å; L27-W29 PolarHBondContact O-N 3.35Å; L27-C36 HydrophobicContact CB-CB 4.33Å; L27-C36 HydrophobicContact CD1-CB 4.35Å; L27-F39 HydrophobicContact CD2-CD1 3.93Å; L27-F39 HydrophobicContact CD2-CE1 4.3Å; L27-A40 HydrophobicContact CD1-CB 3.96Å; L27-L98 HydrophobicContact CD2-CD2 4.15Å; L27-F129 HydrophobicContact CD2-CD2 4.09Å; L27-F129 HydrophobicContact CD2-CE2 4.16Å
28	Y	97.9	Very high	97.6	Very high	47 Å²	47	41.4 Å²	41.4	18%	0.184	20%	0.204	C	C	.	.			trans	-94.7	61.5	-177.5	-63.4	-15.2	0	0	0	112.5	R30 H31 A32 C36 L90 I128 F129 R131	Y28-R30 PolarHBondContact O-N 2.92Å; Y28-H31 PolarHBondContact O-N 3.17Å; Y28-A32 PolarHBondContact O-N 3.25Å; Y28-C36 VanDerWaalsContact C-SG 3.51Å; Y28-L90 HydrophobicContact CD2-CD1 3.97Å; Y28-L90 HydrophobicContact CD2-CD2 4.01Å; Y28-L90 HydrophobicContact CE2-CD2 3.99Å; Y28-I128 HydrophobicContact CD2-CG2 4.29Å; Y28-I128 HydrophobicContact CE2-CG2 4.2Å; Y28-F129 PolarHBondContact N-O 3.44Å; Y28-R131 HydrophobicContact CE1-CG 4.07Å; Y28-R131 WeakPolarHBondContact OH-CD 3.18Å; Y28-R131 VanDerWaalsContact OH-CG 3.25Å; Y28-R131 WeakPolarHBondContact OH-CG 3.24Å
29	W	97	Very high	97.6	Very high	22 Å²	22	41 Å²	41	8%	0.083	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.5	-176.4	-71.6	98.4	0	0	0	115.3	W9 Q10 P11 L27 P33 C36 K37 A40	W9-W29 HydrophobicContact CE3-CH2 4.42Å; W9-W29 HydrophobicContact CZ3-CH2 4.5Å; Q10-W29 HydrophobicContact CB-CD2 3.76Å; Q10-W29 HydrophobicContact CB-CE3 4.15Å; Q10-W29 HydrophobicContact CB-CG 3.96Å; Q10-W29 HydrophobicContact CB-CZ2 4.43Å; Q10-W29 HydrophobicContact CG-CD2 3.88Å; Q10-W29 HydrophobicContact CG-CE3 3.77Å; Q10-W29 HydrophobicContact CG-CG 4.27Å; Q10-W29 HydrophobicContact CG-CZ3 4.17Å; P11-W29 VanDerWaalsContact CD-CZ2 3.47Å; P11-W29 HydrophobicContact CG-CZ2 3.88Å; P11-W29 PolarHBondContact O-NE1 3.49Å; L27-W29 HydrophobicContact CD1-CZ2 3.91Å; L27-W29 PolarHBondContact O-N 3.35Å; W29-P33 WeakPolarHBondContact O-CA 3.49Å; W29-P33 WeakPolarHBondContact O-CB 3.47Å; W29-P33 WeakPolarHBondContact O-CD 3.33Å; W29-C36 HydrophobicContact CD2-CB 3.55Å; W29-C36 HydrophobicContact CE3-CB 3.54Å; W29-C36 HydrophobicContact CG-CB 4.19Å; W29-C36 HydrophobicContact CH2-CB 4Å; W29-C36 HydrophobicContact CZ2-CB 3.93Å; W29-C36 HydrophobicContact CZ3-CB 3.79Å; W29-K37 VanDerWaalsContact CH2-CA 3.49Å; W29-K37 HydrophobicContact CH2-CB 4.11Å; W29-K37 HydrophobicContact CZ3-CB 3.81Å; W29-A40 HydrophobicContact CH2-CB 4.29Å; W29-A40 HydrophobicContact CZ2-CB 4.05Å
30	R	96.3	Very high	97.6	Very high	242 Å²	242	37.5 Å²	37.5	91%	0.913	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.8	178.4	-68.6	-173.7	177.2	-174.8	-0.5	113.6	Y28	Y28-R30 PolarHBondContact O-N 2.92Å
31	H	96.8	Very high	97.6	Very high	71 Å²	71	34.9 Å²	34.9	33%	0.329	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-38.2	-174.6	-57.6	89	0	0	0	111.7	Y28 L90	Y28-H31 PolarHBondContact O-N 3.17Å; H31-L90 HydrophobicContact CB-CD1 3.56Å; H31-L90 HydrophobicContact CB-CG 4.44Å
32	A	97.2	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.155	C	C	.	.			trans	-135.4	63.3	-176.1	0	0	0	0	0	111.7	Y28 K34 T35 C36 E85 F129	Y28-A32 PolarHBondContact O-N 3.25Å; A32-K34 PolarHBondContact O-N 3.38Å; A32-T35 PolarHBondContact O-N 2.87Å; A32-C36 WeakPolarHBondContact O-CB 3.01Å; A32-C36 PolarHBondContact O-N 2.89Å; A32-C36 PolarHBondContact O-SG 3.3Å; A32-E85 VanDerWaalsContact CA-CD 3.49Å; A32-E85 WeakPolarHBondContact CA-OE2 3.4Å; A32-E85 HydrophobicContact CB-CB 3.9Å; A32-E85 WeakPolarHBondContact CB-OE2 3.43Å; A32-F129 HydrophobicContact CB-CB 3.72Å
33	P	96.9	Very high	97.6	Very high	59 Å²	59	30.7 Å²	30.7	38%	0.383	14%	0.135	S	C	.	.	H	α-helix	trans	-60.3	-40.3	-174.8	22.1	-33.2	0	0	0	113.9	W29 K37 E85	W29-P33 WeakPolarHBondContact O-CA 3.49Å; W29-P33 WeakPolarHBondContact O-CB 3.47Å; W29-P33 WeakPolarHBondContact O-CD 3.33Å; P33-K37 VanDerWaalsContact O-CB 3.3Å; P33-K37 WeakPolarHBondContact O-CB 3.24Å; P33-K37 PolarHBondContact O-N 3.42Å; P33-E85 WeakPolarHBondContact CD-OE1 3.48Å; P33-E85 WeakPolarHBondContact CG-OE1 3.41Å
34	K	96.7	Very high	97.5	Very high	85 Å²	85	36.5 Å²	36.5	37%	0.37	16%	0.157	S	C	.	.	H	α-helix	trans	-68.6	-41.9	179.9	-74.4	-174.9	158.3	-173	0	111.3	A32 K37 N38 F78 E83 E85	A32-K34 PolarHBondContact O-N 3.38Å; K34-K37 PolarHBondContact O-N 3.28Å; K34-N38 WeakPolarHBondContact O-CB 3.23Å; K34-N38 PolarHBondContact O-N 3.36Å; K34-F78 HydrophobicContact CB-CZ 4.3Å; K34-E83 WeakPolarHBondContact CD-OE1 3.21Å; K34-E83 WeakPolarHBondContact CE-OE1 3.41Å; K34-E83 VanDerWaalsContact NZ-CD 3.34Å; K34-E83 IonicContact NZ-OE1 3.42Å; K34-E83 PolarHBondContact NZ-OE1 2.82Å; K34-E83 IonicContact NZ-OE2 2.74Å; K34-E83 PolarHBondContact NZ-OE2 3.28Å; K34-E85 WeakPolarHBondContact CB-OE1 3.44Å; K34-E85 PolarHBondContact N-OE1 2.81Å; K34-E85 PolarHBondContact N-OE2 3.13Å; K34-E85 VanDerWaalsContact N-OE2 3.16Å
35	T	97.9	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-46.6	179.6	-52	0	0	0	0	111	A32 K37 N38 F39 F82 E85 M100 F129	A32-T35 PolarHBondContact O-N 2.87Å; T35-K37 VanDerWaalsContact C-N 3.32Å; T35-K37 PolarHBondContact O-N 3.46Å; T35-N38 PolarHBondContact O-N 3.44Å; T35-F39 PolarHBondContact O-N 2.72Å; T35-F82 HydrophobicContact CG2-CE2 4.49Å; T35-F82 HydrophobicContact CG2-CZ 4.37Å; T35-E85 VanDerWaalsContact CB-OE2 3.27Å; T35-E85 WeakPolarHBondContact CB-OE2 3.44Å; T35-E85 PolarHBondContact N-OE2 2.92Å; T35-E85 PolarHBondContact OG1-OE2 3.34Å; T35-M100 HydrophobicContact CG2-CG 3.26Å; T35-M100 HydrophobicContact CG2-SD 3.76Å; T35-F129 HydrophobicContact CG2-CB 3.58Å; T35-F129 HydrophobicContact CG2-CD1 3.38Å; T35-F129 HydrophobicContact CG2-CD2 4Å; T35-F129 HydrophobicContact CG2-CE1 3.95Å; T35-F129 HydrophobicContact CG2-CG 3.39Å; T35-F129 HydrophobicContact CG2-CZ 4.47Å
36	C	98	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-44	175.7	-67.7	0	0	0	0	111.1	L27 Y28 W29 A32 F39 A40 F129	L27-C36 HydrophobicContact CB-CB 4.33Å; L27-C36 HydrophobicContact CD1-CB 4.35Å; Y28-C36 VanDerWaalsContact C-SG 3.51Å; W29-C36 HydrophobicContact CD2-CB 3.55Å; W29-C36 HydrophobicContact CE3-CB 3.54Å; W29-C36 HydrophobicContact CG-CB 4.19Å; W29-C36 HydrophobicContact CH2-CB 4Å; W29-C36 HydrophobicContact CZ2-CB 3.93Å; W29-C36 HydrophobicContact CZ3-CB 3.79Å; A32-C36 WeakPolarHBondContact O-CB 3.01Å; A32-C36 PolarHBondContact O-N 2.89Å; A32-C36 PolarHBondContact O-SG 3.3Å; C36-F39 PolarHBondContact O-N 3.23Å; C36-A40 VanDerWaalsContact O-CB 3.25Å; C36-A40 WeakPolarHBondContact O-CB 3.22Å; C36-A40 PolarHBondContact O-N 3.12Å; C36-F129 PolarHBondContact SG-O 3Å; C36-F129 VanDerWaalsContact SG-O 3.34Å
37	K	97.3	Very high	97.2	Very high	18 Å²	18	42 Å²	42	8%	0.078	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-47.1	176.3	-169.3	-179.4	-66.2	-166.6	0	112.1	I4 P5 D7 W29 P33 K34 T35 E41 I77	I4-K37 HydrophobicContact CG2-CD 3.79Å; P5-K37 PolarHBondContact O-NZ 2.77Å; D7-K37 IonicContact OD1-NZ 2.8Å; D7-K37 PolarHBondContact OD1-NZ 2.95Å; W29-K37 VanDerWaalsContact CH2-CA 3.49Å; W29-K37 HydrophobicContact CH2-CB 4.11Å; W29-K37 HydrophobicContact CZ3-CB 3.81Å; P33-K37 VanDerWaalsContact O-CB 3.3Å; P33-K37 WeakPolarHBondContact O-CB 3.24Å; P33-K37 PolarHBondContact O-N 3.42Å; K34-K37 PolarHBondContact O-N 3.28Å; T35-K37 VanDerWaalsContact C-N 3.32Å; T35-K37 PolarHBondContact O-N 3.46Å; K37-E41 WeakPolarHBondContact O-CB 3.4Å; K37-E41 PolarHBondContact O-N 3.43Å; K37-I77 HydrophobicContact CD-CD1 4.3Å; K37-I77 HydrophobicContact CG-CD1 3.98Å
38	N	97.8	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-53.1	177.7	178.1	65.7	0	0	0	111	K34 T35 E41 L42 S76 I77 F78 F82 G109	K34-N38 WeakPolarHBondContact O-CB 3.23Å; K34-N38 PolarHBondContact O-N 3.36Å; T35-N38 PolarHBondContact O-N 3.44Å; N38-E41 PolarHBondContact O-N 2.83Å; N38-L42 WeakPolarHBondContact O-CB 3.26Å; N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 2.76Å; N38-S76 WeakPolarHBondContact OD1-CA 3.39Å; N38-S76 VanDerWaalsContact OD1-CB 3.28Å; N38-S76 WeakPolarHBondContact OD1-CB 3.23Å; N38-I77 HydrophobicContact CB-CG1 4.31Å; N38-I77 PolarHBondContact OD1-N 3.06Å; N38-F78 HydrophobicContact CB-CE2 4.09Å; N38-F82 HydrophobicContact CB-CE1 4.23Å; N38-F82 HydrophobicContact CB-CZ 4.16Å; N38-G109 PolarHBondContact ND2-O 3.45Å
39	F	98.3	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-48.1	-178	-177.7	-98.8	0	0	0	112.6	V14 L16 V25 L27 T35 C36 E41 L42 A43 Y48 L98 F112 F129	V14-F39 HydrophobicContact CB-CD1 4.47Å; V14-F39 HydrophobicContact CB-CE1 3.83Å; V14-F39 HydrophobicContact CG1-CE1 3.88Å; V14-F39 HydrophobicContact CG2-CD1 4.08Å; V14-F39 HydrophobicContact CG2-CE1 3.94Å; L16-F39 HydrophobicContact CD1-CZ 4.5Å; L16-F39 HydrophobicContact CD2-CZ 4.23Å; V25-F39 HydrophobicContact CG2-CE1 3.83Å; V25-F39 HydrophobicContact CG2-CZ 4.31Å; L27-F39 HydrophobicContact CD2-CD1 3.93Å; L27-F39 HydrophobicContact CD2-CE1 4.3Å; T35-F39 PolarHBondContact O-N 2.72Å; C36-F39 PolarHBondContact O-N 3.23Å; F39-E41 PolarHBondContact O-N 2.86Å; F39-L42 PolarHBondContact O-N 2.96Å; F39-A43 WeakPolarHBondContact O-CB 3.46Å; F39-A43 PolarHBondContact O-N 2.82Å; F39-Y48 AromaticContact CD2-CE2 3.72Å; F39-Y48 HydrophobicContact CD2-CE2 3.72Å; F39-Y48 AromaticContact CD2-CZ 3.92Å; F39-Y48 HydrophobicContact CE2-CD2 4.49Å; F39-Y48 AromaticContact CE2-CE2 3.8Å; F39-Y48 HydrophobicContact CE2-CE2 3.8Å; F39-Y48 HydrophobicContact CG-CE2 4.42Å; F39-L98 HydrophobicContact CE1-CD2 4.26Å; F39-L98 HydrophobicContact CZ-CD2 4.33Å; F39-F112 HydrophobicContact CD2-CD1 4.17Å; F39-F112 HydrophobicContact CD2-CG 4.49Å; F39-F112 AromaticContact CE2-CD1 3.61Å; F39-F112 HydrophobicContact CE2-CD1 3.61Å; F39-F112 HydrophobicContact CE2-CD2 4.31Å; F39-F112 AromaticContact CE2-CE1 3.68Å; F39-F112 HydrophobicContact CE2-CE1 3.68Å; F39-F112 HydrophobicContact CE2-CE2 4.36Å; F39-F112 AromaticContact CE2-CG 3.94Å; F39-F112 HydrophobicContact CE2-CG 3.94Å; F39-F112 HydrophobicContact CE2-CZ 4.05Å; F39-F112 HydrophobicContact CZ-CZ 4.5Å; F39-F129 HydrophobicContact CB-CD2 4.39Å; F39-F129 HydrophobicContact CB-CE2 3.56Å; F39-F129 HydrophobicContact CB-CZ 4.07Å; F39-F129 AromaticContact CD1-CE2 3.86Å; F39-F129 HydrophobicContact CD1-CE2 3.86Å; F39-F129 AromaticContact CD2-CE2 3.87Å; F39-F129 HydrophobicContact CD2-CE2 3.87Å; F39-F129 AromaticContact CD2-CZ 3.76Å; F39-F129 HydrophobicContact CD2-CZ 3.76Å; F39-F129 HydrophobicContact CE2-CZ 4.33Å; F39-F129 AromaticContact CG-CE2 3.49Å; F39-F129 HydrophobicContact CG-CE2 3.49Å; F39-F129 VanDerWaalsContact CG-CE2 3.49Å; F39-F129 AromaticContact CG-CZ 3.88Å; F39-F129 HydrophobicContact CG-CZ 3.88Å
40	A	97.7	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-41.8	-179.9	0	0	0	0	0	111.7	W9 P11 V14 L27 W29 C36 A43 R44	W9-A40 HydrophobicContact CH2-CB 3.58Å; W9-A40 HydrophobicContact CZ3-CB 3.78Å; P11-A40 HydrophobicContact CG-CB 3.86Å; V14-A40 HydrophobicContact CG2-CB 4.36Å; L27-A40 HydrophobicContact CD1-CB 3.96Å; W29-A40 HydrophobicContact CH2-CB 4.29Å; W29-A40 HydrophobicContact CZ2-CB 4.05Å; C36-A40 VanDerWaalsContact O-CB 3.25Å; C36-A40 WeakPolarHBondContact O-CB 3.22Å; C36-A40 PolarHBondContact O-N 3.12Å; A40-A43 PolarHBondContact O-N 2.72Å; A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.29Å
41	E	96.9	Very high	97.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-37.2	-179.4	177.8	62.2	-174.7	0	0	111.8	P5 W9 K37 N38 F39 A43 R44 R45 I77	P5-E41 HydrophobicContact CG-CB 4.07Å; P5-E41 VanDerWaalsContact CG-CD 3.42Å; P5-E41 HydrophobicContact CG-CG 3.84Å; P5-E41 WeakPolarHBondContact CG-OE2 3.28Å; W9-E41 HydrophobicContact CH2-CB 4.23Å; W9-E41 HydrophobicContact CZ3-CB 4.01Å; K37-E41 WeakPolarHBondContact O-CB 3.4Å; K37-E41 PolarHBondContact O-N 3.43Å; N38-E41 PolarHBondContact O-N 2.83Å; F39-E41 PolarHBondContact O-N 2.86Å; E41-A43 VanDerWaalsContact C-N 3.34Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 2.9Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 3.91Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.89Å; E41-R44 IonicContact OE2-NE 3.45Å; E41-R44 PolarHBondContact OE2-NE 3.49Å; E41-R44 IonicContact OE2-NH2 3.47Å; E41-R44 PolarHBondContact OE2-NH2 2.98Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 VanDerWaalsContact O-CG 3.26Å; E41-R45 WeakPolarHBondContact O-CG 3.2Å; E41-R45 PolarHBondContact O-N 2.77Å; E41-R45 IonicContact OE1-CZ 2.59Å; E41-R45 IonicContact OE1-NE 2.54Å; E41-R45 PolarHBondContact OE1-NE 2.91Å; E41-R45 IonicContact OE1-NH2 3.41Å; E41-R45 PolarHBondContact OE1-NH2 2.75Å; E41-I77 HydrophobicContact CB-CD1 4.08Å; E41-I77 HydrophobicContact CB-CG2 3.97Å; E41-I77 HydrophobicContact CG-CD1 4.26Å; E41-I77 HydrophobicContact CG-CG2 3.79Å
42	L	97.2	Very high	97.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-43.6	171.8	-71.5	174	0	0	0	111	N38 F39 R45 G46 Y47 Y48 I77	N38-L42 WeakPolarHBondContact O-CB 3.26Å; N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 2.76Å; F39-L42 PolarHBondContact O-N 2.96Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-G46 PolarHBondContact O-N 3.01Å; L42-Y47 HydrophobicContact CB-CD1 4.32Å; L42-Y47 HydrophobicContact CB-CG 4.34Å; L42-Y47 HydrophobicContact CD1-CD1 4.38Å; L42-Y47 HydrophobicContact CD2-CD1 3.89Å; L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE1 4.32Å; L42-Y47 HydrophobicContact CD2-CE2 4.32Å; L42-Y47 HydrophobicContact CD2-CG 3.64Å; L42-Y47 HydrophobicContact CG-CD1 4.42Å; L42-Y47 HydrophobicContact CG-CG 4.47Å; L42-Y47 WeakPolarHBondContact O-CB 3.21Å; L42-Y47 PolarHBondContact O-N 3.13Å; L42-Y48 HydrophobicContact CB-CD2 4.2Å; L42-Y48 HydrophobicContact CB-CE2 3.58Å; L42-Y48 HydrophobicContact CD1-CE2 4.46Å; L42-Y48 WeakPolarHBondContact CD1-OH 3.09Å; L42-I77 HydrophobicContact CD2-CG2 3.81Å; L42-I77 HydrophobicContact CG-CG2 3.79Å
43	A	97.4	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-49.3	172.9	0	0	0	0	0	111.6	V14 F39 A40 E41 R45 G46 Y48 T162 V164	V14-A43 HydrophobicContact CG1-CB 3.69Å; F39-A43 WeakPolarHBondContact O-CB 3.46Å; F39-A43 PolarHBondContact O-N 2.82Å; A40-A43 PolarHBondContact O-N 2.72Å; E41-A43 VanDerWaalsContact C-N 3.34Å; A43-R45 VanDerWaalsContact C-N 3.26Å; A43-R45 PolarHBondContact O-N 2.91Å; A43-G46 WeakPolarHBondContact O-CA 3.02Å; A43-G46 PolarHBondContact O-N 3.04Å; A43-Y48 HydrophobicContact CB-CD2 4.11Å; A43-T162 VanDerWaalsContact CA-OG1 3.32Å; A43-T162 WeakPolarHBondContact CA-OG1 3.23Å; A43-T162 HydrophobicContact CB-CG2 4.48Å; A43-T162 PolarHBondContact O-OG1 3.33Å; A43-V164 HydrophobicContact CB-CG2 3.78Å
44	R	96	Very high	97.2	Very high	125 Å²	125	32.5 Å²	32.5	47%	0.472	15%	0.149	S	C	.	.	H	α-helix	trans	-59.4	-35.1	179.2	-164.7	-166.5	66.9	77.2	3.3	112.7	W9 A40 E41 G46 V164	W9-R44 HydrophobicContact CH2-CB 4.39Å; W9-R44 HydrophobicContact CZ2-CB 4.42Å; W9-R44 HydrophobicContact CZ2-CG 4.49Å; A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.29Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 2.9Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 3.91Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.89Å; E41-R44 IonicContact OE2-NE 3.45Å; E41-R44 PolarHBondContact OE2-NE 3.49Å; E41-R44 IonicContact OE2-NH2 3.47Å; E41-R44 PolarHBondContact OE2-NH2 2.98Å; R44-G46 PolarHBondContact O-N 2.89Å; R44-V164 HydrophobicContact CB-CB 4.49Å; R44-V164 HydrophobicContact CB-CG2 4.05Å
45	R	95.4	Very high	97.3	Very high	102 Å²	102	32.8 Å²	32.8	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.7	175.4	-71.2	176.3	-172.5	-163.6	1.8	113.7	S2 G3 E41 L42 A43 Y47	S2-R45 PolarHBondContact O-NH2 2.84Å; S2-R45 PolarHBondContact OG-NH2 3.13Å; G3-R45 PolarHBondContact O-NH2 2.89Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 VanDerWaalsContact O-CG 3.26Å; E41-R45 WeakPolarHBondContact O-CG 3.2Å; E41-R45 PolarHBondContact O-N 2.77Å; E41-R45 IonicContact OE1-CZ 2.59Å; E41-R45 IonicContact OE1-NE 2.54Å; E41-R45 PolarHBondContact OE1-NE 2.91Å; E41-R45 IonicContact OE1-NH2 3.41Å; E41-R45 PolarHBondContact OE1-NH2 2.75Å; L42-R45 PolarHBondContact O-N 2.96Å; A43-R45 VanDerWaalsContact C-N 3.26Å; A43-R45 PolarHBondContact O-N 2.91Å; R45-Y47 VanDerWaalsContact C-N 3.25Å; R45-Y47 PolarHBondContact O-N 2.76Å
46	G	96.4	Very high	97.2	Very high	22 Å²	22	32.8 Å²	32.8	23%	0.227	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	19.6	-172.8	0	0	0	0	0	113.5	L42 A43 R44 Y48 N49	L42-G46 PolarHBondContact O-N 3.01Å; A43-G46 WeakPolarHBondContact O-CA 3.02Å; A43-G46 PolarHBondContact O-N 3.04Å; R44-G46 PolarHBondContact O-N 2.89Å; G46-Y48 PolarHBondContact O-N 2.9Å; G46-N49 WeakPolarHBondContact CA-ND2 3.46Å; G46-N49 VanDerWaalsContact O-CB 3.23Å; G46-N49 WeakPolarHBondContact O-CB 3.14Å; G46-N49 PolarHBondContact O-N 3.29Å
47	Y	97	Very high	97.2	Very high	70 Å²	70	34.5 Å²	34.5	28%	0.275	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.7	-179.6	-173.7	-92.3	0	0	0	112.3	L42 R45 N49 T51 P67 G74 A75 S110	L42-Y47 HydrophobicContact CB-CD1 4.32Å; L42-Y47 HydrophobicContact CB-CG 4.34Å; L42-Y47 HydrophobicContact CD1-CD1 4.38Å; L42-Y47 HydrophobicContact CD2-CD1 3.89Å; L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE1 4.32Å; L42-Y47 HydrophobicContact CD2-CE2 4.32Å; L42-Y47 HydrophobicContact CD2-CG 3.64Å; L42-Y47 HydrophobicContact CG-CD1 4.42Å; L42-Y47 HydrophobicContact CG-CG 4.47Å; L42-Y47 WeakPolarHBondContact O-CB 3.21Å; L42-Y47 PolarHBondContact O-N 3.13Å; R45-Y47 VanDerWaalsContact C-N 3.25Å; R45-Y47 PolarHBondContact O-N 2.76Å; Y47-N49 VanDerWaalsContact C-N 3.35Å; Y47-T51 WeakPolarHBondContact O-CG2 3.25Å; Y47-P67 HydrophobicContact CD1-CG 3.88Å; Y47-P67 HydrophobicContact CD2-CG 4.5Å; Y47-P67 HydrophobicContact CE1-CG 3.2Å; Y47-P67 HydrophobicContact CE2-CG 3.94Å; Y47-P67 HydrophobicContact CG-CG 4.48Å; Y47-P67 WeakPolarHBondContact OH-CG 3.47Å; Y47-G74 WeakPolarHBondContact OH-CA 3.21Å; Y47-A75 PolarHBondContact OH-N 3.07Å; Y47-S110 VanDerWaalsContact CE1-CB 3.47Å; Y47-S110 WeakPolarHBondContact CE1-OG 3.46Å
48	Y	98.1	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.2	176.9	-62.3	-53.1	0	0	0	113.8	F39 L42 A43 G46 T51 S110 F112	F39-Y48 AromaticContact CD2-CE2 3.72Å; F39-Y48 HydrophobicContact CD2-CE2 3.72Å; F39-Y48 AromaticContact CD2-CZ 3.92Å; F39-Y48 HydrophobicContact CE2-CD2 4.49Å; F39-Y48 AromaticContact CE2-CE2 3.8Å; F39-Y48 HydrophobicContact CE2-CE2 3.8Å; F39-Y48 HydrophobicContact CG-CE2 4.42Å; L42-Y48 HydrophobicContact CB-CD2 4.2Å; L42-Y48 HydrophobicContact CB-CE2 3.58Å; L42-Y48 HydrophobicContact CD1-CE2 4.46Å; L42-Y48 WeakPolarHBondContact CD1-OH 3.09Å; A43-Y48 HydrophobicContact CB-CD2 4.11Å; G46-Y48 PolarHBondContact O-N 2.9Å; Y48-T51 WeakPolarHBondContact O-CB 3.32Å; Y48-T51 WeakPolarHBondContact O-CG2 3.19Å; Y48-T51 PolarHBondContact O-N 2.67Å; Y48-T51 PolarHBondContact O-OG1 2.96Å; Y48-S110 WeakPolarHBondContact CE1-O 3.48Å; Y48-S110 PolarHBondContact OH-O 3.4Å; Y48-F112 HydrophobicContact CD1-CE1 4.27Å; Y48-F112 HydrophobicContact CE1-CD1 4.21Å; Y48-F112 HydrophobicContact CE1-CE1 4.01Å
49	N	97.5	Very high	96.8	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	136.1	-179.9	-62.8	-3.9	0	0	0	110.4	G46 Y47 T51 I159 R161 T162	G46-N49 WeakPolarHBondContact CA-ND2 3.46Å; G46-N49 VanDerWaalsContact O-CB 3.23Å; G46-N49 WeakPolarHBondContact O-CB 3.14Å; G46-N49 PolarHBondContact O-N 3.29Å; Y47-N49 VanDerWaalsContact C-N 3.35Å; N49-T51 PolarHBondContact O-N 3Å; N49-T51 VanDerWaalsContact O-N 3.14Å; N49-I159 CarbonylContact C-O 3.46Å; N49-R161 WeakPolarHBondContact OD1-CA 3.32Å; N49-T162 PolarHBondContact OD1-N 2.67Å; N49-T162 PolarHBondContact OD1-OG1 2.82Å
50	N	96.9	Very high	96.7	Very high	111 Å²	111	47.8 Å²	47.8	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	18.2	-173.8	-158.1	36.5	0	0	0	114.8	I159 L160	N50-I159 VanDerWaalsContact CA-O 3.23Å; N50-I159 WeakPolarHBondContact CA-O 3.24Å; N50-I159 PolarHBondContact N-O 3.33Å; N50-L160 PolarHBondContact N-O 3.09Å
51	T	97.7	Very high	96.7	Very high	7 Å²	7	48 Å²	48	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	159.8	172.6	69.5	0	0	0	0	110.4	Y47 Y48 N49 P67 K158 I159	Y47-T51 WeakPolarHBondContact O-CG2 3.25Å; Y48-T51 WeakPolarHBondContact O-CB 3.32Å; Y48-T51 WeakPolarHBondContact O-CG2 3.19Å; Y48-T51 PolarHBondContact O-N 2.67Å; Y48-T51 PolarHBondContact O-OG1 2.96Å; N49-T51 PolarHBondContact O-N 3Å; N49-T51 VanDerWaalsContact O-N 3.14Å; T51-P67 HydrophobicContact CG2-CB 4.28Å; T51-P67 HydrophobicContact CG2-CG 4.43Å; T51-K158 CarbonylContact O-C 3.59Å; T51-K158 WeakPolarHBondContact O-CA 3.21Å; T51-I159 PolarHBondContact N-O 3.22Å; T51-I159 PolarHBondContact O-N 3.31Å
52	K	96.7	Very high	96.7	Very high	59 Å²	59	48 Å²	48	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.1	-176.8	56.9	176.5	148.6	-163.7	0	114	H54 D156 I157 K158	K52-H54 HydrophobicContact CG-CB 4.46Å; K52-H54 PolarHBondContact O-N 2.8Å; K52-H54 VanDerWaalsContact O-N 3.14Å; K52-D156 VanDerWaalsContact CD-OD1 3.26Å; K52-D156 WeakPolarHBondContact CD-OD1 3.49Å; K52-D156 IonicContact NZ-OD1 2.86Å; K52-D156 PolarHBondContact NZ-OD1 3.33Å; K52-D156 IonicContact NZ-OD2 3.76Å; K52-D156 PolarHBondContact NZ-OD2 2.85Å; K52-I157 VanDerWaalsContact CA-O 3.28Å; K52-I157 WeakPolarHBondContact CA-O 3.39Å; K52-I157 WeakPolarHBondContact CB-O 3.3Å; K52-K158 HydrophobicContact CB-CG 4.24Å
53	F	97.9	Very high	96.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	23%	0.225	C	C	.	.			trans	-75	96.1	161.1	-61.2	-65.5	0	0	0	108.1	T18 R55 I56 V62 Q63 F112 V142 I157 I159	T18-F53 HydrophobicContact CG2-CE2 4Å; T18-F53 HydrophobicContact CG2-CZ 4.39Å; F53-R55 VanDerWaalsContact C-N 3.3Å; F53-I56 HydrophobicContact CB-CD1 4.14Å; F53-I56 HydrophobicContact CB-CG1 4.27Å; F53-V62 HydrophobicContact CB-CG1 3.93Å; F53-V62 HydrophobicContact CD1-CG1 3.46Å; F53-V62 VanDerWaalsContact CD1-CG1 3.46Å; F53-V62 HydrophobicContact CD2-CG1 4.19Å; F53-V62 HydrophobicContact CE1-CG1 3.95Å; F53-V62 HydrophobicContact CG-CG1 3.58Å; F53-Q63 CarbonylContact C-O 3.48Å; F53-Q63 WeakPolarHBondContact CA-O 3.45Å; F53-F112 HydrophobicContact CE1-CE2 4.29Å; F53-F112 HydrophobicContact CE1-CZ 4.3Å; F53-V142 HydrophobicContact CD2-CG1 4.21Å; F53-I157 HydrophobicContact CD2-CB 4.13Å; F53-I157 HydrophobicContact CD2-CG2 3.65Å; F53-I157 HydrophobicContact CE2-CG2 4.14Å; F53-I157 PolarHBondContact N-O 3.12Å; F53-I159 HydrophobicContact CE1-CD1 4.15Å; F53-I159 HydrophobicContact CE1-CG1 4.43Å; F53-I159 HydrophobicContact CE2-CG1 4.06Å; F53-I159 HydrophobicContact CZ-CD1 3.97Å; F53-I159 HydrophobicContact CZ-CG1 3.83Å
54	H	96.6	Very high	96.8	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.046	23%	0.225	C	C	.	.			trans	-83.7	-8.7	-172.5	61.6	-93.2	0	0	0	112.6	K52 Q63 G71 Q111 R152	K52-H54 HydrophobicContact CG-CB 4.46Å; K52-H54 PolarHBondContact O-N 2.8Å; K52-H54 VanDerWaalsContact O-N 3.14Å; H54-Q63 PolarHBondContact N-O 3.32Å; H54-Q63 VanDerWaalsContact N-O 3.15Å; H54-G71 VanDerWaalsContact CD2-CA 3.45Å; H54-G71 WeakPolarHBondContact CD2-CA 3.32Å; H54-G71 VanDerWaalsContact NE2-CA 3.33Å; H54-G71 WeakPolarHBondContact NE2-CA 3.49Å; H54-Q111 PolarHBondContact CE1-OE1 2.89Å; H54-Q111 VanDerWaalsContact CE1-OE1 3.27Å; H54-Q111 PolarHBondContact NE2-OE1 2.68Å; H54-R152 WeakPolarHBondContact O-CG 3.43Å
55	R	97.6	Very high	96.8	Very high	91 Å²	91	42.9 Å²	42.9	34%	0.343	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	124.3	177.6	-164.5	-173	176.7	-151.5	2.9	110.5	F53 I57 M61 Q63 D151	F53-R55 VanDerWaalsContact C-N 3.3Å; R55-I57 VanDerWaalsContact NH2-CD1 3.31Å; R55-M61 HydrophobicContact CB-CE 4.33Å; R55-M61 HydrophobicContact CG-CE 3.85Å; R55-Q63 HydrophobicContact CB-CB 4.23Å; R55-Q63 PolarHBondContact N-O 3.34Å; R55-Q63 PolarHBondContact O-N 2.89Å; R55-D151 CarbonylContact C-O 3.49Å; R55-D151 VanDerWaalsContact CA-O 3.31Å; R55-D151 WeakPolarHBondContact CA-O 3.41Å; R55-D151 HydrophobicContact CG-CB 3.7Å; R55-D151 IonicContact CZ-OD2 2.69Å; R55-D151 IonicContact NE-OD2 3.29Å; R55-D151 PolarHBondContact NE-OD2 2.87Å; R55-D151 IonicContact NH2-OD2 3.21Å; R55-D151 PolarHBondContact NH2-OD2 3.32Å
56	I	97.7	Very high	96.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.6	179.7	-59.5	-170	0	0	0	107.8	F53 V62 V142 V145 T147 D151 P153 I157	F53-I56 HydrophobicContact CB-CD1 4.14Å; F53-I56 HydrophobicContact CB-CG1 4.27Å; I56-V62 HydrophobicContact CD1-CG1 4.25Å; I56-V62 HydrophobicContact CG1-CG1 4.17Å; I56-V62 HydrophobicContact CG2-CG2 4.36Å; I56-V142 HydrophobicContact CD1-CG1 3.57Å; I56-V142 WeakPolarHBondContact CD1-O 3.44Å; I56-V145 HydrophobicContact CD1-CG2 3.88Å; I56-T147 HydrophobicContact CB-CG2 4Å; I56-T147 HydrophobicContact CG2-CG2 4.45Å; I56-T147 WeakPolarHBondContact O-CG2 3.17Å; I56-D151 PolarHBondContact N-O 3.04Å; I56-P153 HydrophobicContact CB-CG 4.21Å; I56-P153 HydrophobicContact CD1-CG 3.44Å; I56-P153 VanDerWaalsContact CD1-CG 3.44Å; I56-P153 HydrophobicContact CG1-CG 3.63Å; I56-I157 HydrophobicContact CD1-CD1 3.81Å
57	I	96.4	Very high	96.7	Very high	35 Å²	35	39.8 Å²	39.8	18%	0.179	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.6	175.8	-61.2	173.6	0	0	0	107.2	R55 D59 F60 M61 L116 D151	R55-I57 VanDerWaalsContact NH2-CD1 3.31Å; I57-D59 PolarHBondContact O-N 3.01Å; I57-F60 HydrophobicContact CB-CB 3.93Å; I57-F60 HydrophobicContact CB-CD1 3.91Å; I57-F60 HydrophobicContact CB-CG 4.42Å; I57-F60 HydrophobicContact CD1-CD1 3.75Å; I57-F60 HydrophobicContact CD1-CE1 4.22Å; I57-F60 HydrophobicContact CG1-CD1 4.4Å; I57-F60 HydrophobicContact CG2-CB 3.65Å; I57-F60 HydrophobicContact CG2-CD1 3.98Å; I57-F60 HydrophobicContact CG2-CG 4.31Å; I57-F60 PolarHBondContact O-N 3.03Å; I57-M61 HydrophobicContact CB-CE 4.18Å; I57-M61 HydrophobicContact CD1-CE 3.66Å; I57-M61 HydrophobicContact CG1-CE 3.75Å; I57-M61 PolarHBondContact N-O 3.24Å; I57-M61 PolarHBondContact O-N 2.87Å; I57-L116 WeakPolarHBondContact O-CD1 3.45Å; I57-D151 HydrophobicContact CD1-CB 4.32Å; I57-D151 WeakPolarHBondContact CD1-OD2 3.19Å; I57-D151 HydrophobicContact CG1-CB 3.75Å
58	K	95	Very high	96.6	Very high	138 Å²	138	40.6 Å²	40.6	60%	0.6	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	136.7	179.5	-173.4	177.8	175.6	177.7	0	110.8	F60	K58-F60 PolarHBondContact O-N 3.46Å
59	D	92.6	Very high	96.3	Very high	116 Å²	116	41 Å²	41	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	9.7	-178.5	-53.2	-41.4	0	0	0	115.1	I57	I57-D59 PolarHBondContact O-N 3.01Å
60	F	96.1	Very high	96	Very high	44 Å²	44	41.1 Å²	41.1	19%	0.193	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-75.1	176.6	-179.8	-141.2	0	0	0	111.5	I57 K58 L116 T119 W121 L122	I57-F60 HydrophobicContact CB-CB 3.93Å; I57-F60 HydrophobicContact CB-CD1 3.91Å; I57-F60 HydrophobicContact CB-CG 4.42Å; I57-F60 HydrophobicContact CD1-CD1 3.75Å; I57-F60 HydrophobicContact CD1-CE1 4.22Å; I57-F60 HydrophobicContact CG1-CD1 4.4Å; I57-F60 HydrophobicContact CG2-CB 3.65Å; I57-F60 HydrophobicContact CG2-CD1 3.98Å; I57-F60 HydrophobicContact CG2-CG 4.31Å; I57-F60 PolarHBondContact O-N 3.03Å; K58-F60 PolarHBondContact O-N 3.46Å; F60-L116 PolarHBondContact O-N 2.92Å; F60-T119 HydrophobicContact CD2-CG2 3.46Å; F60-T119 VanDerWaalsContact CD2-CG2 3.46Å; F60-T119 HydrophobicContact CE2-CG2 3.68Å; F60-W121 AromaticContact CD2-CZ2 3.67Å; F60-W121 HydrophobicContact CD2-CZ2 3.67Å; F60-W121 AromaticContact CE2-CE2 3.89Å; F60-W121 AromaticContact CE2-CZ2 3.61Å; F60-W121 HydrophobicContact CE2-CZ2 3.61Å; F60-W121 AromaticContact CE2-NE1 3.61Å; F60-L122 HydrophobicContact CE2-CD1 3.88Å; F60-L122 HydrophobicContact CE2-CG 4.47Å; F60-L122 HydrophobicContact CZ-CD1 4.09Å
61	M	96.8	Very high	95.8	Very high	4 Å²	4	37 Å²	37	2%	0.02	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	161.1	-173.4	64.9	84.4	-144.5	0	0	114.2	R55 I57 Q63 F113 L114	R55-M61 HydrophobicContact CB-CE 4.33Å; R55-M61 HydrophobicContact CG-CE 3.85Å; I57-M61 HydrophobicContact CB-CE 4.18Å; I57-M61 HydrophobicContact CD1-CE 3.66Å; I57-M61 HydrophobicContact CG1-CE 3.75Å; I57-M61 PolarHBondContact N-O 3.24Å; I57-M61 PolarHBondContact O-N 2.87Å; M61-Q63 HydrophobicContact CE-CB 4.16Å; M61-Q63 HydrophobicContact SD-CB 3.47Å; M61-Q63 WeakPolarHBondContact SD-CB 3.24Å; M61-F113 HydrophobicContact CB-CB 4.36Å; M61-F113 HydrophobicContact CB-CD2 3.96Å; M61-F113 HydrophobicContact CB-CG 4.5Å; M61-F113 HydrophobicContact SD-CB 4.09Å; M61-L114 CarbonylContact C-O 3.47Å; M61-L114 VanDerWaalsContact CA-O 3.24Å; M61-L114 WeakPolarHBondContact CA-O 3.4Å
62	V	97.9	Very high	95.5	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.6	170.8	179.8	0	0	0	0	108	F53 I56 F113 L114 L116 V142	F53-V62 HydrophobicContact CB-CG1 3.93Å; F53-V62 HydrophobicContact CD1-CG1 3.46Å; F53-V62 VanDerWaalsContact CD1-CG1 3.46Å; F53-V62 HydrophobicContact CD2-CG1 4.19Å; F53-V62 HydrophobicContact CE1-CG1 3.95Å; F53-V62 HydrophobicContact CG-CG1 3.58Å; I56-V62 HydrophobicContact CD1-CG1 4.25Å; I56-V62 HydrophobicContact CG1-CG1 4.17Å; I56-V62 HydrophobicContact CG2-CG2 4.36Å; V62-F113 CarbonylContact O-C 3.52Å; V62-F113 WeakPolarHBondContact O-CA 3.39Å; V62-F113 WeakPolarHBondContact O-CB 3.35Å; V62-L114 PolarHBondContact N-O 3.4Å; V62-L114 PolarHBondContact O-N 3.23Å; V62-L116 HydrophobicContact CG2-CD1 3.89Å; V62-L116 HydrophobicContact CG2-CD2 3.96Å; V62-L116 HydrophobicContact CG2-CG 4.05Å; V62-V142 HydrophobicContact CB-CG1 4.38Å; V62-V142 HydrophobicContact CG1-CG1 3.52Å; V62-V142 HydrophobicContact CG2-CG1 3.91Å
63	Q	98.3	Very high	95.3	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.7	-177.2	175.8	-179.5	-7.2	0	0	112	F53 H54 R55 M61 A101 F112 F113	F53-Q63 CarbonylContact C-O 3.48Å; F53-Q63 WeakPolarHBondContact CA-O 3.45Å; H54-Q63 PolarHBondContact N-O 3.32Å; H54-Q63 VanDerWaalsContact N-O 3.15Å; R55-Q63 HydrophobicContact CB-CB 4.23Å; R55-Q63 PolarHBondContact N-O 3.34Å; R55-Q63 PolarHBondContact O-N 2.89Å; M61-Q63 HydrophobicContact CE-CB 4.16Å; M61-Q63 HydrophobicContact SD-CB 3.47Å; M61-Q63 WeakPolarHBondContact SD-CB 3.24Å; Q63-A101 HydrophobicContact CG-CB 4.42Å; Q63-F112 WeakPolarHBondContact CA-O 3.41Å; Q63-F113 HydrophobicContact CB-CB 4.02Å
64	G	97.6	Very high	95	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-162.7	-178.2	0	0	0	0	0	112.4	Q111 F112	G64-Q111 VanDerWaalsContact O-CA 3.28Å; G64-Q111 WeakPolarHBondContact O-CA 3.47Å; G64-F112 PolarHBondContact N-O 2.83Å; G64-F112 PolarHBondContact O-N 2.81Å; G64-F112 VanDerWaalsContact O-N 3.08Å
65	G	95.8	Very high	94.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.			trans	83.9	15.2	175.7	0	0	0	0	0	115.7	S110	G65-S110 CarbonylContact O-C 3.5Å; G65-S110 WeakPolarHBondContact O-CB 3.2Å; G65-S110 PolarHBondContact O-OG 2.67Å
66	D	96.6	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-102.6	111.8	168.6	-179.6	0.3	0	0	0	110	T68 G69 T70 G71 R72 G73 Q111	D66-T68 PolarHBondContact O-N 3.23Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 PolarHBondContact OD1-N 2.96Å; D66-T68 PolarHBondContact OD1-OG1 3.14Å; D66-T68 PolarHBondContact OD2-OG1 2.75Å; D66-G69 PolarHBondContact O-N 3Å; D66-T70 PolarHBondContact OD2-N 3.45Å; D66-T70 VanDerWaalsContact OD2-N 3.14Å; D66-T70 PolarHBondContact OD2-OG1 3.28Å; D66-G71 WeakPolarHBondContact OD2-CA 3.42Å; D66-G71 PolarHBondContact OD2-N 3.14Å; D66-R72 PolarHBondContact OD2-N 3.24Å; D66-G73 WeakPolarHBondContact OD1-CA 3.41Å; D66-G73 PolarHBondContact OD2-N 3.38Å; D66-G73 VanDerWaalsContact OD2-N 3.08Å; D66-Q111 HydrophobicContact CB-CG 3.95Å
67	P	94.3	Very high	94.8	Very high	60 Å²	60	46.7 Å²	46.7	39%	0.39	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.4	177.1	-21.7	32.4	0	0	0	114.6	Y47 T51 G69	Y47-P67 HydrophobicContact CD1-CG 3.88Å; Y47-P67 HydrophobicContact CD2-CG 4.5Å; Y47-P67 HydrophobicContact CE1-CG 3.2Å; Y47-P67 HydrophobicContact CE2-CG 3.94Å; Y47-P67 HydrophobicContact CG-CG 4.48Å; Y47-P67 WeakPolarHBondContact OH-CG 3.47Å; T51-P67 HydrophobicContact CG2-CB 4.28Å; T51-P67 HydrophobicContact CG2-CG 4.43Å; P67-G69 VanDerWaalsContact C-N 3.28Å
68	T	93.9	Very high	94.6	Very high	87 Å²	87	47.9 Å²	47.9	53%	0.534	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.3	175.6	73.6	0	0	0	0	111.8	D66 T70	D66-T68 PolarHBondContact O-N 3.23Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 PolarHBondContact OD1-N 2.96Å; D66-T68 PolarHBondContact OD1-OG1 3.14Å; D66-T68 PolarHBondContact OD2-OG1 2.75Å; T68-T70 PolarHBondContact O-N 2.7Å; T68-T70 PolarHBondContact OG1-N 3.15Å; T68-T70 PolarHBondContact OG1-OG1 2.91Å
69	G	92.1	Very high	94.3	Very high	8 Å²	8	44.8 Å²	44.8	8%	0.082	27%	0.271	C	S	.	.	S	Bend	trans	66.6	11.9	-175.2	0	0	0	0	0	114.5	D66 P67	D66-G69 PolarHBondContact O-N 3Å; P67-G69 VanDerWaalsContact C-N 3.28Å
70	T	92.4	Very high	94.1	Very high	65 Å²	65	46.9 Å²	46.9	40%	0.399	27%	0.274	S	S	.	.	S	Bend	trans	-88.9	-22.6	-176.1	64.3	0	0	0	0	113.1	D66 T68 R72 R152	D66-T70 PolarHBondContact OD2-N 3.45Å; D66-T70 VanDerWaalsContact OD2-N 3.14Å; D66-T70 PolarHBondContact OD2-OG1 3.28Å; T68-T70 PolarHBondContact O-N 2.7Å; T68-T70 PolarHBondContact OG1-N 3.15Å; T68-T70 PolarHBondContact OG1-OG1 2.91Å; T70-R72 VanDerWaalsContact C-N 3.31Å; T70-R72 PolarHBondContact OG1-N 2.9Å; T70-R72 VanDerWaalsContact OG1-N 3.16Å; T70-R152 PolarHBondContact O-NH2 2.85Å
71	G	91.8	Very high	94.1	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	29%	0.291	S	S	.	.	S	Bend	trans	83.8	1.5	-168.6	0	0	0	0	0	113.8	H54 D66 Q111	H54-G71 VanDerWaalsContact CD2-CA 3.45Å; H54-G71 WeakPolarHBondContact CD2-CA 3.32Å; H54-G71 VanDerWaalsContact NE2-CA 3.33Å; H54-G71 WeakPolarHBondContact NE2-CA 3.49Å; D66-G71 WeakPolarHBondContact OD2-CA 3.42Å; D66-G71 PolarHBondContact OD2-N 3.14Å; G71-Q111 VanDerWaalsContact C-NE2 3.27Å; G71-Q111 PolarHBondContact O-NE2 3.34Å
72	R	91.3	Very high	94.1	Very high	239 Å²	239	50.4 Å²	50.4	90%	0.902	29%	0.291	S	S	*	.	S	Bend	trans	-114.4	-12	-178.4	-58.6	-175.9	-177.4	-163.8	-0.2	113.2	D66 T70	D66-R72 PolarHBondContact OD2-N 3.24Å; T70-R72 VanDerWaalsContact C-N 3.31Å; T70-R72 PolarHBondContact OG1-N 2.9Å; T70-R72 VanDerWaalsContact OG1-N 3.16Å
73	G	92.2	Very high	94	Very high	23 Å²	23	54 Å²	54	24%	0.237	31%	0.308	C	S	.	.			trans	-92.8	-168.1	179.9	0	0	0	0	0	112.8	D66 Q111	D66-G73 WeakPolarHBondContact OD1-CA 3.41Å; D66-G73 PolarHBondContact OD2-N 3.38Å; D66-G73 VanDerWaalsContact OD2-N 3.08Å; G73-Q111 PolarHBondContact O-NE2 3.14Å
74	G	92.1	Very high	93.9	Very high	33 Å²	33	54 Å²	54	34%	0.34	31%	0.309	S	S	.	.			trans	104.6	139.5	179.8	0	0	0	0	0	113.1	Y47 S110	Y47-G74 WeakPolarHBondContact OH-CA 3.21Å; G74-S110 WeakPolarHBondContact CA-OG 2.97Å
75	A	94.8	Very high	93.9	Very high	50 Å²	50	55.5 Å²	55.5	41%	0.413	32%	0.316	S	S	.	.			trans	-138.5	143.8	-179.1	0	0	0	0	0	110.3	Y47 S110	Y47-A75 PolarHBondContact OH-N 3.07Å; A75-S110 PolarHBondContact N-OG 3.01Å; A75-S110 WeakPolarHBondContact O-CB 3.38Å
76	S	96.1	Very high	93.9	Very high	10 Å²	10	59.5 Å²	59.5	7%	0.07	34%	0.337	C	S	.	.			trans	-79	167	175.7	83.7	0	0	0	0	111.5	N38 F78 G79 K80	N38-S76 WeakPolarHBondContact OD1-CA 3.39Å; N38-S76 VanDerWaalsContact OD1-CB 3.28Å; N38-S76 WeakPolarHBondContact OD1-CB 3.23Å; S76-F78 PolarHBondContact O-N 3.25Å; S76-F78 WeakPolarHBondContact OG-CB 3.35Å; S76-F78 PolarHBondContact OG-N 2.85Å; S76-G79 PolarHBondContact O-N 2.84Å; S76-K80 PolarHBondContact OG-O 3.34Å
77	I	95.9	Very high	93.7	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.092	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.2	171.4	67.5	170.9	0	0	0	113.5	I4 K37 N38 E41 L42 G79	I4-I77 HydrophobicContact CG2-CD1 4.18Å; K37-I77 HydrophobicContact CD-CD1 4.3Å; K37-I77 HydrophobicContact CG-CD1 3.98Å; N38-I77 HydrophobicContact CB-CG1 4.31Å; N38-I77 PolarHBondContact OD1-N 3.06Å; E41-I77 HydrophobicContact CB-CD1 4.08Å; E41-I77 HydrophobicContact CB-CG2 3.97Å; E41-I77 HydrophobicContact CG-CD1 4.26Å; E41-I77 HydrophobicContact CG-CG2 3.79Å; L42-I77 HydrophobicContact CD2-CG2 3.81Å; L42-I77 HydrophobicContact CG-CG2 3.79Å; I77-G79 VanDerWaalsContact C-N 3.31Å
78	F	93.6	Very high	93.5	Very high	60 Å²	60	64.1 Å²	64.1	26%	0.263	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.9	-178.4	-51.1	-68.9	0	0	0	112.7	I4 K34 N38 S76 K80 F82	I4-F78 HydrophobicContact CD1-CD1 3.81Å; I4-F78 HydrophobicContact CD1-CE1 4.27Å; I4-F78 HydrophobicContact CG2-CE1 4.41Å; K34-F78 HydrophobicContact CB-CZ 4.3Å; N38-F78 HydrophobicContact CB-CE2 4.09Å; S76-F78 PolarHBondContact O-N 3.25Å; S76-F78 WeakPolarHBondContact OG-CB 3.35Å; S76-F78 PolarHBondContact OG-N 2.85Å; F78-K80 PolarHBondContact O-N 2.86Å; F78-F82 HydrophobicContact CD2-CB 3.89Å; F78-F82 AromaticContact CD2-CD1 3.92Å; F78-F82 HydrophobicContact CD2-CD1 3.92Å; F78-F82 AromaticContact CD2-CG 3.92Å; F78-F82 HydrophobicContact CD2-CG 3.92Å; F78-F82 HydrophobicContact CE2-CB 4.32Å; F78-F82 HydrophobicContact CE2-CD1 4.17Å; F78-F82 HydrophobicContact CE2-CD2 4.34Å; F78-F82 HydrophobicContact CE2-CG 4.03Å
79	G	88.1	Confident	93.5	Very high	73 Å²	73	66.5 Å²	66.5	75%	0.753	37%	0.373	S	S	*	.	S	Bend	trans	77.5	-6.8	178.7	0	0	0	0	0	115.1	S76 I77	S76-G79 PolarHBondContact O-N 2.84Å; I77-G79 VanDerWaalsContact C-N 3.31Å
80	K	89.5	Confident	93.6	Very high	161 Å²	161	67.6 Å²	67.6	70%	0.7	38%	0.377	S	S	*	.	S	Bend	trans	-142.8	175.4	175	58	172.5	-175.6	178.5	0	110.4	S76 F78	S76-K80 PolarHBondContact OG-O 3.34Å; F78-K80 PolarHBondContact O-N 2.86Å
81	Q	94.6	Very high	93.8	Very high	114 Å²	114	70.1 Å²	70.1	53%	0.533	38%	0.383	S	S	.	.			trans	-60.3	148.9	167.1	-71.7	171.8	-25	0	0	110.9	N108	Q81-N108 VanDerWaalsContact CA-O 3.24Å; Q81-N108 WeakPolarHBondContact CA-O 3.39Å
82	F	96.3	Very high	94	Very high	8 Å²	8	69 Å²	69	4%	0.035	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-126.7	162.4	179.8	71	-85	0	0	0	111.9	T35 N38 F78 M100 D106 N108 G109	T35-F82 HydrophobicContact CG2-CE2 4.49Å; T35-F82 HydrophobicContact CG2-CZ 4.37Å; N38-F82 HydrophobicContact CB-CE1 4.23Å; N38-F82 HydrophobicContact CB-CZ 4.16Å; F78-F82 HydrophobicContact CD2-CB 3.89Å; F78-F82 AromaticContact CD2-CD1 3.92Å; F78-F82 HydrophobicContact CD2-CD1 3.92Å; F78-F82 AromaticContact CD2-CG 3.92Å; F78-F82 HydrophobicContact CD2-CG 3.92Å; F78-F82 HydrophobicContact CE2-CB 4.32Å; F78-F82 HydrophobicContact CE2-CD1 4.17Å; F78-F82 HydrophobicContact CE2-CD2 4.34Å; F78-F82 HydrophobicContact CE2-CG 4.03Å; F82-M100 HydrophobicContact CE1-CE 4.27Å; F82-M100 HydrophobicContact CZ-CE 4.09Å; F82-D106 CarbonylContact O-C 3.25Å; F82-D106 VanDerWaalsContact O-C 3.25Å; F82-N108 HydrophobicContact CD1-CB 3.71Å; F82-N108 WeakPolarHBondContact CD1-O 3.45Å; F82-N108 HydrophobicContact CD2-CB 3.99Å; F82-N108 HydrophobicContact CE1-CB 3.4Å; F82-N108 HydrophobicContact CE2-CB 3.69Å; F82-N108 HydrophobicContact CG-CB 4Å; F82-N108 HydrophobicContact CZ-CB 3.4Å; F82-N108 PolarHBondContact N-O 2.94Å; F82-N108 VanDerWaalsContact N-O 3.09Å; F82-N108 WeakPolarHBondContact O-CB 3.16Å; F82-N108 PolarHBondContact O-N 3.02Å; F82-N108 VanDerWaalsContact O-N 3.14Å; F82-N108 PolarHBondContact O-ND2 3.48Å; F82-G109 WeakPolarHBondContact CE1-O 3.25Å
83	E	96.9	Very high	94.2	Very high	76 Å²	76	62.5 Å²	62.5	36%	0.355	36%	0.358	S	S	.	.			trans	-63.1	158.5	-172.8	64.6	-95.6	-132.1	0	0	113.9	K34 D106 N108	K34-E83 WeakPolarHBondContact CD-OE1 3.21Å; K34-E83 WeakPolarHBondContact CE-OE1 3.41Å; K34-E83 VanDerWaalsContact NZ-CD 3.34Å; K34-E83 IonicContact NZ-OE1 3.42Å; K34-E83 PolarHBondContact NZ-OE1 2.82Å; K34-E83 IonicContact NZ-OE2 2.74Å; K34-E83 PolarHBondContact NZ-OE2 3.28Å; E83-D106 VanDerWaalsContact CA-OD1 3.23Å; E83-D106 WeakPolarHBondContact CA-OD1 3.4Å; E83-D106 HydrophobicContact CB-CB 4.5Å; E83-D106 WeakPolarHBondContact CB-OD1 3.44Å; E83-N108 PolarHBondContact O-ND2 3.46Å
84	D	96.9	Very high	94.3	Very high	25 Å²	25	62.2 Å²	62.2	13%	0.134	36%	0.355	C	S	.	.			trans	-77.3	135.1	168.9	-70.8	-53.7	0	0	0	111.5	L86 N102 P105 D106 N108 S127	D84-L86 HydrophobicContact CB-CD1 4.43Å; D84-L86 HydrophobicContact CB-CD2 3.99Å; D84-L86 HydrophobicContact CB-CG 3.88Å; D84-N102 PolarHBondContact OD1-ND2 2.74Å; D84-P105 WeakPolarHBondContact OD2-CA 3.43Å; D84-D106 PolarHBondContact N-OD1 3.38Å; D84-D106 PolarHBondContact OD2-N 2.69Å; D84-N108 WeakPolarHBondContact CA-ND2 3.41Å; D84-N108 PolarHBondContact OD1-ND2 3.44Å; D84-N108 PolarHBondContact OD1-OD1 2.97Å; D84-S127 VanDerWaalsContact CA-OG 3.3Å; D84-S127 WeakPolarHBondContact CA-OG 3.38Å; D84-S127 PolarHBondContact OD1-OG 3.1Å
85	E	97	Very high	94.6	Very high	31 Å²	31	62.9 Å²	62.9	15%	0.145	36%	0.357	C	S	.	.			trans	-103.3	76	172	-70.6	178.2	126.4	0	0	109	A32 P33 K34 T35 S127	A32-E85 VanDerWaalsContact CA-CD 3.49Å; A32-E85 WeakPolarHBondContact CA-OE2 3.4Å; A32-E85 HydrophobicContact CB-CB 3.9Å; A32-E85 WeakPolarHBondContact CB-OE2 3.43Å; P33-E85 WeakPolarHBondContact CD-OE1 3.48Å; P33-E85 WeakPolarHBondContact CG-OE1 3.41Å; K34-E85 WeakPolarHBondContact CB-OE1 3.44Å; K34-E85 PolarHBondContact N-OE1 2.81Å; K34-E85 PolarHBondContact N-OE2 3.13Å; K34-E85 VanDerWaalsContact N-OE2 3.16Å; T35-E85 VanDerWaalsContact CB-OE2 3.27Å; T35-E85 WeakPolarHBondContact CB-OE2 3.44Å; T35-E85 PolarHBondContact N-OE2 2.92Å; T35-E85 PolarHBondContact OG1-OE2 3.34Å; E85-S127 PolarHBondContact N-OG 2.91Å
86	L	95.3	Very high	94.7	Very high	84 Å²	84	60.7 Å²	60.7	44%	0.44	34%	0.34	S	S	.	.			trans	-83.8	124.8	-178.7	-54.2	178.5	0	0	0	110.5	D84 G124	D84-L86 HydrophobicContact CB-CD1 4.43Å; D84-L86 HydrophobicContact CB-CD2 3.99Å; D84-L86 HydrophobicContact CB-CG 3.88Å; L86-G124 WeakPolarHBondContact CD1-O 3.45Å
87	N	92.3	Very high	94.8	Very high	48 Å²	48	61 Å²	61	26%	0.257	34%	0.34	S	S	.	.			trans	-122.9	124.5	178.3	-163.7	-59.2	0	0	0	110.8	D89 L90	N87-D89 PolarHBondContact O-N 3.01Å; N87-D89 VanDerWaalsContact O-N 3.16Å; N87-D89 WeakPolarHBondContact OD1-CB 3.15Å; N87-D89 PolarHBondContact OD1-N 3.47Å; N87-L90 HydrophobicContact CB-CB 4.39Å; N87-L90 HydrophobicContact CB-CD1 4.18Å; N87-L90 HydrophobicContact CB-CG 4.15Å; N87-L90 PolarHBondContact O-N 2.89Å
88	P	91.3	Very high	94.9	Very high	108 Å²	108	60.1 Å²	60.1	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.4	-179.3	-24.7	34.2	0	0	0	114.9	L90 K91	P88-L90 VanDerWaalsContact C-N 3.3Å; P88-K91 WeakPolarHBondContact O-CE 3.41Å
89	D	92.9	Very high	95.1	Very high	137 Å²	137	57.3 Å²	57.3	73%	0.733	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-17	180	-61.1	-27.3	0	0	0	112.2	N87	N87-D89 PolarHBondContact O-N 3.01Å; N87-D89 VanDerWaalsContact O-N 3.16Å; N87-D89 WeakPolarHBondContact OD1-CB 3.15Å; N87-D89 PolarHBondContact OD1-N 3.47Å
90	L	95.1	Very high	95.6	Very high	31 Å²	31	53.8 Å²	53.8	16%	0.162	29%	0.287	C	S	.	.			trans	-100.8	116.8	177.7	-61.1	-177.2	0	0	0	110.1	Y28 H31 N87 P88 I128	Y28-L90 HydrophobicContact CD2-CD1 3.97Å; Y28-L90 HydrophobicContact CD2-CD2 4.01Å; Y28-L90 HydrophobicContact CE2-CD2 3.99Å; H31-L90 HydrophobicContact CB-CD1 3.56Å; H31-L90 HydrophobicContact CB-CG 4.44Å; N87-L90 HydrophobicContact CB-CB 4.39Å; N87-L90 HydrophobicContact CB-CD1 4.18Å; N87-L90 HydrophobicContact CB-CG 4.15Å; N87-L90 PolarHBondContact O-N 2.89Å; P88-L90 VanDerWaalsContact C-N 3.3Å; L90-I128 HydrophobicContact CB-CB 4.05Å; L90-I128 HydrophobicContact CB-CD1 4.04Å; L90-I128 HydrophobicContact CB-CG2 4.2Å; L90-I128 HydrophobicContact CD1-CB 4.12Å; L90-I128 HydrophobicContact CD1-CG2 4.07Å; L90-I128 WeakPolarHBondContact CD1-O 3.2Å
91	K	96.4	Very high	96	Very high	119 Å²	119	46.7 Å²	46.7	52%	0.517	26%	0.259	S	S	.	.			trans	-129	153.9	179.7	-59.8	-169.4	-179.1	-160.7	0	111.2	P88 T93 I97 D123	P88-K91 WeakPolarHBondContact O-CE 3.41Å; K91-T93 HydrophobicContact CB-CG2 3.85Å; K91-T93 PolarHBondContact O-N 2.8Å; K91-I97 WeakPolarHBondContact O-CD1 3.37Å; K91-D123 WeakPolarHBondContact CA-OD1 3.47Å
92	F	96.3	Very high	95.9	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.244	C	C	.	.			trans	-78.1	67.6	175.9	-72	-75.8	0	0	0	111.9	I97 A99 F113 T115 P118 T119 L122 D123 H126 I128	F92-I97 HydrophobicContact CD1-CB 4.32Å; F92-I97 HydrophobicContact CD1-CD1 4.39Å; F92-I97 HydrophobicContact CD1-CG2 3.88Å; F92-I97 HydrophobicContact CE1-CG2 3.87Å; F92-A99 HydrophobicContact CE1-CB 3.6Å; F92-A99 HydrophobicContact CZ-CB 3.5Å; F92-A99 VanDerWaalsContact CZ-CB 3.5Å; F92-F113 AromaticContact CE1-CE2 3.69Å; F92-F113 HydrophobicContact CE1-CE2 3.69Å; F92-F113 AromaticContact CE1-CZ 3.8Å; F92-F113 HydrophobicContact CE1-CZ 3.8Å; F92-F113 HydrophobicContact CZ-CE2 4.12Å; F92-F113 AromaticContact CZ-CZ 3.73Å; F92-F113 HydrophobicContact CZ-CZ 3.73Å; F92-T115 HydrophobicContact CD1-CG2 3.62Å; F92-T115 HydrophobicContact CE1-CG2 3.97Å; F92-P118 WeakPolarHBondContact O-CA 3.36Å; F92-T119 WeakPolarHBondContact CB-O 3.31Å; F92-T119 VanDerWaalsContact CB-OG1 3.23Å; F92-T119 WeakPolarHBondContact CB-OG1 3.4Å; F92-T119 WeakPolarHBondContact CD1-OG1 3.4Å; F92-T119 WeakPolarHBondContact CG-OG1 3.5Å; F92-T119 PolarHBondContact O-N 3.26Å; F92-L122 HydrophobicContact CD2-CB 3.53Å; F92-L122 HydrophobicContact CE2-CB 3.52Å; F92-L122 HydrophobicContact CG-CB 4.25Å; F92-L122 HydrophobicContact CZ-CB 4.23Å; F92-D123 VanDerWaalsContact CD2-OD1 3.31Å; F92-D123 WeakPolarHBondContact CD2-OD1 3.23Å; F92-D123 PolarHBondContact N-OD1 2.98Å; F92-H126 HydrophobicContact CE2-CB 4.14Å; F92-H126 HydrophobicContact CZ-CB 3.93Å; F92-I128 HydrophobicContact CD1-CD1 4.12Å; F92-I128 HydrophobicContact CD1-CG1 4.32Å; F92-I128 HydrophobicContact CD2-CD1 3.88Å; F92-I128 HydrophobicContact CD2-CG1 4.34Å; F92-I128 HydrophobicContact CE1-CD1 4.08Å; F92-I128 HydrophobicContact CE1-CG1 3.77Å; F92-I128 HydrophobicContact CE2-CD1 3.8Å; F92-I128 HydrophobicContact CE2-CG1 3.77Å; F92-I128 HydrophobicContact CG-CD1 4.05Å; F92-I128 HydrophobicContact CZ-CD1 3.92Å; F92-I128 HydrophobicContact CZ-CG1 3.47Å; F92-I128 VanDerWaalsContact CZ-CG1 3.47Å
93	T	95.5	Very high	95.7	Very high	102 Å²	102	47.5 Å²	47.5	63%	0.626	28%	0.28	S	S	*	.			trans	-82.4	-11.8	-172.7	58.7	0	0	0	0	114.7	K91	K91-T93 HydrophobicContact CB-CG2 3.85Å; K91-T93 PolarHBondContact O-N 2.8Å
94	G	94.3	Very high	95.4	Very high	17 Å²	17	45.2 Å²	45.2	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	-178.8	-172.2	-175.7	0	0	0	0	0	114.2	I97 T115 G117	G94-I97 WeakPolarHBondContact O-CD1 3.35Å; G94-T115 PolarHBondContact O-OG1 2.73Å; G94-G117 CarbonylContact C-O 3.5Å
95	A	96.9	Very high	95.2	Very high	48 Å²	48	49.3 Å²	49.3	40%	0.397	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	154.4	179.1	0	0	0	0	0	112.7	T115	A95-T115 CarbonylContact C-O 3.42Å; A95-T115 WeakPolarHBondContact CA-O 3.28Å
96	G	97.2	Very high	95.1	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	9.6	176.2	0	0	0	0	0	114.7	T115 R131 V132	G96-T115 PolarHBondContact N-O 3.03Å; G96-T115 PolarHBondContact N-OG1 2.82Å; G96-R131 CarbonylContact O-C 3.37Å; G96-R131 WeakPolarHBondContact O-CA 3.39Å; G96-V132 PolarHBondContact O-N 3.03Å
97	I	98.5	Very high	95.1	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	174.3	-62.7	173.1	0	0	0	108.7	K91 F92 G94 L114 T115 I128	K91-I97 WeakPolarHBondContact O-CD1 3.37Å; F92-I97 HydrophobicContact CD1-CB 4.32Å; F92-I97 HydrophobicContact CD1-CD1 4.39Å; F92-I97 HydrophobicContact CD1-CG2 3.88Å; F92-I97 HydrophobicContact CE1-CG2 3.87Å; G94-I97 WeakPolarHBondContact O-CD1 3.35Å; I97-L114 VanDerWaalsContact O-CA 3.32Å; I97-L114 WeakPolarHBondContact O-CA 3.33Å; I97-T115 HydrophobicContact CB-CG2 4.18Å; I97-T115 WeakPolarHBondContact CB-OG1 3.33Å; I97-T115 PolarHBondContact N-OG1 3.31Å; I97-T115 PolarHBondContact O-N 3.23Å; I97-I128 HydrophobicContact CG2-CB 4.45Å; I97-I128 HydrophobicContact CG2-CD1 4.21Å; I97-I128 HydrophobicContact CG2-CG1 4.03Å; I97-I128 HydrophobicContact CG2-CG2 3.65Å
98	L	98.6	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.5	177.4	177.5	65.8	0	0	0	109.8	V25 L27 F39 F112 L114 F129 G130	V25-L98 HydrophobicContact CB-CD2 3.97Å; V25-L98 HydrophobicContact CG1-CD2 4.2Å; V25-L98 HydrophobicContact CG2-CD2 3.87Å; L27-L98 HydrophobicContact CD2-CD2 4.15Å; F39-L98 HydrophobicContact CE1-CD2 4.26Å; F39-L98 HydrophobicContact CZ-CD2 4.33Å; L98-F112 HydrophobicContact CD1-CB 4.16Å; L98-F112 HydrophobicContact CD1-CD2 3.4Å; L98-F112 VanDerWaalsContact CD1-CD2 3.4Å; L98-F112 HydrophobicContact CD1-CE2 4.1Å; L98-F112 HydrophobicContact CD1-CG 4.06Å; L98-L114 HydrophobicContact CB-CD2 3.91Å; L98-L114 HydrophobicContact CD1-CD2 3.75Å; L98-L114 HydrophobicContact CD1-CG 4.4Å; L98-L114 HydrophobicContact CG-CD2 4.41Å; L98-F129 HydrophobicContact CD1-CE1 4.21Å; L98-F129 HydrophobicContact CD1-CE2 4.39Å; L98-F129 HydrophobicContact CD1-CZ 3.78Å; L98-F129 HydrophobicContact CD2-CD2 3.91Å; L98-F129 HydrophobicContact CD2-CE1 4.34Å; L98-F129 HydrophobicContact CD2-CE2 3.27Å; L98-F129 HydrophobicContact CD2-CZ 3.54Å; L98-F129 HydrophobicContact CG-CD1 4.31Å; L98-F129 HydrophobicContact CG-CD2 4.23Å; L98-F129 HydrophobicContact CG-CE1 3.75Å; L98-F129 HydrophobicContact CG-CE2 3.64Å; L98-F129 HydrophobicContact CG-CZ 3.39Å; L98-F129 PolarHBondContact O-N 2.99Å; L98-G130 PolarHBondContact N-O 3Å; L98-G130 PolarHBondContact O-N 2.88Å
99	A	98.4	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.2	-178.9	0	0	0	0	0	113.1	F92 F112 F113 H126 S127 I128 F129	F92-A99 HydrophobicContact CE1-CB 3.6Å; F92-A99 HydrophobicContact CZ-CB 3.5Å; F92-A99 VanDerWaalsContact CZ-CB 3.5Å; A99-F112 CarbonylContact O-C 3.53Å; A99-F112 VanDerWaalsContact O-CA 3.26Å; A99-F112 WeakPolarHBondContact O-CA 3.42Å; A99-F112 WeakPolarHBondContact O-CB 3.32Å; A99-F113 HydrophobicContact CB-CD1 4.41Å; A99-F113 HydrophobicContact CB-CE1 3.76Å; A99-F113 HydrophobicContact CB-CE2 3.93Å; A99-F113 HydrophobicContact CB-CZ 3.5Å; A99-F113 VanDerWaalsContact CB-CZ 3.5Å; A99-F113 PolarHBondContact N-O 3.08Å; A99-F113 PolarHBondContact O-N 2.85Å; A99-H126 HydrophobicContact CB-CB 4.48Å; A99-S127 CarbonylContact C-O 3.58Å; A99-S127 WeakPolarHBondContact CA-O 3.27Å; A99-S127 WeakPolarHBondContact CB-O 3.26Å; A99-I128 HydrophobicContact CB-CG1 4.3Å; A99-F129 VanDerWaalsContact C-CE1 3.45Å
100	M	98	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.5	179.6	-71.9	-59.9	-64.5	0	0	112	T35 F82 N108 G109 Q111 F113 H126 S127 F129	T35-M100 HydrophobicContact CG2-CG 3.26Å; T35-M100 HydrophobicContact CG2-SD 3.76Å; F82-M100 HydrophobicContact CE1-CE 4.27Å; F82-M100 HydrophobicContact CZ-CE 4.09Å; M100-N108 WeakPolarHBondContact CB-OD1 3.5Å; M100-N108 HydrophobicContact CE-CB 4.1Å; M100-G109 WeakPolarHBondContact CE-O 3.19Å; M100-Q111 WeakPolarHBondContact CE-O 3.26Å; M100-F113 WeakPolarHBondContact O-CE1 3.2Å; M100-H126 PolarHBondContact O-ND1 2.8Å; M100-S127 PolarHBondContact N-O 3.29Å; M100-F129 HydrophobicContact CG-CD1 3.92Å; M100-F129 HydrophobicContact CG-CE1 3.76Å; M100-F129 HydrophobicContact SD-CD1 4.3Å; M100-F129 HydrophobicContact SD-CE1 3.62Å; M100-F129 HydrophobicContact SD-CZ 4.07Å
101	A	96.6	Very high	95.9	Very high	12 Å²	12	35.7 Å²	35.7	10%	0.099	23%	0.231	C	C	.	.			trans	-82.5	137.3	165.3	0	0	0	0	0	109.3	Q63 Q111 F113	Q63-A101 HydrophobicContact CG-CB 4.42Å; A101-Q111 HydrophobicContact CB-CB 3.82Å; A101-Q111 PolarHBondContact N-O 3.25Å; A101-F113 HydrophobicContact CB-CD1 4.34Å
102	N	93.8	Very high	96	Very high	41 Å²	41	30 Å²	30	22%	0.219	21%	0.207	C	C	.	.			trans	-139.6	169.6	179.9	65.8	23	0	0	0	110.3	D84 K125 H126	D84-N102 PolarHBondContact OD1-ND2 2.74Å; N102-K125 PolarHBondContact ND2-O 3.27Å; N102-H126 PolarHBondContact OD1-CE1 2.9Å
103	A	90.9	Very high	96.1	Very high	97 Å²	97	30.3 Å²	30.3	80%	0.802	21%	0.208	S	C	*	.	S	Bend	trans	-115.4	29.8	177.5	0	0	0	0	0	111.6	T107	A103-T107 PolarHBondContact N-OG1 2.86Å
104	G	91.1	Very high	96.3	Very high	28 Å²	28	25.5 Å²	25.5	29%	0.289	18%	0.179	S	C	.	.	S	Bend	trans	129.5	172.8	-169.7	0	0	0	0	0	111.7	D106 T107	G104-D106 PolarHBondContact O-N 3.47Å; G104-T107 PolarHBondContact N-OG1 3.25Å; G104-T107 PolarHBondContact O-N 2.93Å; G104-T107 PolarHBondContact O-OG1 3.45Å
105	P	93.4	Very high	96.5	Very high	111 Å²	111	24.7 Å²	24.7	72%	0.721	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	137	-179.3	-24.6	34.2	0	0	0	112.4	D84 T107	D84-P105 WeakPolarHBondContact OD2-CA 3.43Å; P105-T107 VanDerWaalsContact C-N 3.27Å; P105-T107 PolarHBondContact O-N 2.9Å
106	D	94.2	Very high	96.5	Very high	90 Å²	90	23.4 Å²	23.4	48%	0.481	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	28.4	173.6	-55.6	-44	0	0	0	115.3	F82 E83 D84 G104	F82-D106 CarbonylContact O-C 3.25Å; F82-D106 VanDerWaalsContact O-C 3.25Å; E83-D106 VanDerWaalsContact CA-OD1 3.23Å; E83-D106 WeakPolarHBondContact CA-OD1 3.4Å; E83-D106 HydrophobicContact CB-CB 4.5Å; E83-D106 WeakPolarHBondContact CB-OD1 3.44Å; D84-D106 PolarHBondContact N-OD1 3.38Å; D84-D106 PolarHBondContact OD2-N 2.69Å; G104-D106 PolarHBondContact O-N 3.47Å
107	T	95.4	Very high	96.4	Very high	29 Å²	29	23.7 Å²	23.7	18%	0.178	16%	0.16	C	C	.	.			trans	-108.4	26.8	-178.7	62	0	0	0	0	114	A103 G104 P105	A103-T107 PolarHBondContact N-OG1 2.86Å; G104-T107 PolarHBondContact N-OG1 3.25Å; G104-T107 PolarHBondContact O-N 2.93Å; G104-T107 PolarHBondContact O-OG1 3.45Å; P105-T107 VanDerWaalsContact C-N 3.27Å; P105-T107 PolarHBondContact O-N 2.9Å
108	N	96.4	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-67.5	136.2	-175.3	-64.6	-58.6	0	0	0	112.3	Q81 F82 E83 D84 M100	Q81-N108 VanDerWaalsContact CA-O 3.24Å; Q81-N108 WeakPolarHBondContact CA-O 3.39Å; F82-N108 HydrophobicContact CD1-CB 3.71Å; F82-N108 WeakPolarHBondContact CD1-O 3.45Å; F82-N108 HydrophobicContact CD2-CB 3.99Å; F82-N108 HydrophobicContact CE1-CB 3.4Å; F82-N108 HydrophobicContact CE2-CB 3.69Å; F82-N108 HydrophobicContact CG-CB 4Å; F82-N108 HydrophobicContact CZ-CB 3.4Å; F82-N108 PolarHBondContact N-O 2.94Å; F82-N108 VanDerWaalsContact N-O 3.09Å; F82-N108 WeakPolarHBondContact O-CB 3.16Å; F82-N108 PolarHBondContact O-N 3.02Å; F82-N108 VanDerWaalsContact O-N 3.14Å; F82-N108 PolarHBondContact O-ND2 3.48Å; E83-N108 PolarHBondContact O-ND2 3.46Å; D84-N108 WeakPolarHBondContact CA-ND2 3.41Å; D84-N108 PolarHBondContact OD1-ND2 3.44Å; D84-N108 PolarHBondContact OD1-OD1 2.97Å; M100-N108 WeakPolarHBondContact CB-OD1 3.5Å; M100-N108 HydrophobicContact CE-CB 4.1Å
109	G	96.7	Very high	96.2	Very high	12 Å²	12	26.8 Å²	26.8	12%	0.124	18%	0.181	C	C	.	.			trans	-123.8	-116.9	179.8	0	0	0	0	0	112.2	N38 F82 M100	N38-G109 PolarHBondContact ND2-O 3.45Å; F82-G109 WeakPolarHBondContact CE1-O 3.25Å; M100-G109 WeakPolarHBondContact CE-O 3.19Å
110	S	97.6	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.007	21%	0.21	C	C	.	.	S	Bend	trans	-112	-13.5	173	61.4	0	0	0	0	113.8	Y47 Y48 G65 G74 A75	Y47-S110 VanDerWaalsContact CE1-CB 3.47Å; Y47-S110 WeakPolarHBondContact CE1-OG 3.46Å; Y48-S110 WeakPolarHBondContact CE1-O 3.48Å; Y48-S110 PolarHBondContact OH-O 3.4Å; G65-S110 CarbonylContact O-C 3.5Å; G65-S110 WeakPolarHBondContact O-CB 3.2Å; G65-S110 PolarHBondContact O-OG 2.67Å; G74-S110 WeakPolarHBondContact CA-OG 2.97Å; A75-S110 PolarHBondContact N-OG 3.01Å; A75-S110 WeakPolarHBondContact O-CB 3.38Å
111	Q	98.3	Very high	95.8	Very high	21 Å²	21	40.2 Å²	40.2	10%	0.098	24%	0.237	C	C	.	.			trans	-74.6	140.5	-175.5	-64.9	-169.4	43	0	0	111.1	H54 G64 D66 G71 G73 M100 A101	H54-Q111 PolarHBondContact CE1-OE1 2.89Å; H54-Q111 VanDerWaalsContact CE1-OE1 3.27Å; H54-Q111 PolarHBondContact NE2-OE1 2.68Å; G64-Q111 VanDerWaalsContact O-CA 3.28Å; G64-Q111 WeakPolarHBondContact O-CA 3.47Å; D66-Q111 HydrophobicContact CB-CG 3.95Å; G71-Q111 VanDerWaalsContact C-NE2 3.27Å; G71-Q111 PolarHBondContact O-NE2 3.34Å; G73-Q111 PolarHBondContact O-NE2 3.14Å; M100-Q111 WeakPolarHBondContact CE-O 3.26Å; A101-Q111 HydrophobicContact CB-CB 3.82Å; A101-Q111 PolarHBondContact N-O 3.25Å
112	F	98.5	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	165.8	-180	68	-88.4	0	0	0	109.7	L16 F39 Y48 F53 Q63 G64 L98 A99 F129 I159	L16-F112 HydrophobicContact CD1-CE2 4.34Å; L16-F112 HydrophobicContact CD1-CZ 4.15Å; F39-F112 HydrophobicContact CD2-CD1 4.17Å; F39-F112 HydrophobicContact CD2-CG 4.49Å; F39-F112 AromaticContact CE2-CD1 3.61Å; F39-F112 HydrophobicContact CE2-CD1 3.61Å; F39-F112 HydrophobicContact CE2-CD2 4.31Å; F39-F112 AromaticContact CE2-CE1 3.68Å; F39-F112 HydrophobicContact CE2-CE1 3.68Å; F39-F112 HydrophobicContact CE2-CE2 4.36Å; F39-F112 AromaticContact CE2-CG 3.94Å; F39-F112 HydrophobicContact CE2-CG 3.94Å; F39-F112 HydrophobicContact CE2-CZ 4.05Å; F39-F112 HydrophobicContact CZ-CZ 4.5Å; Y48-F112 HydrophobicContact CD1-CE1 4.27Å; Y48-F112 HydrophobicContact CE1-CD1 4.21Å; Y48-F112 HydrophobicContact CE1-CE1 4.01Å; F53-F112 HydrophobicContact CE1-CE2 4.29Å; F53-F112 HydrophobicContact CE1-CZ 4.3Å; Q63-F112 WeakPolarHBondContact CA-O 3.41Å; G64-F112 PolarHBondContact N-O 2.83Å; G64-F112 PolarHBondContact O-N 2.81Å; G64-F112 VanDerWaalsContact O-N 3.08Å; L98-F112 HydrophobicContact CD1-CB 4.16Å; L98-F112 HydrophobicContact CD1-CD2 3.4Å; L98-F112 VanDerWaalsContact CD1-CD2 3.4Å; L98-F112 HydrophobicContact CD1-CE2 4.1Å; L98-F112 HydrophobicContact CD1-CG 4.06Å; A99-F112 CarbonylContact O-C 3.53Å; A99-F112 VanDerWaalsContact O-CA 3.26Å; A99-F112 WeakPolarHBondContact O-CA 3.42Å; A99-F112 WeakPolarHBondContact O-CB 3.32Å; F112-F129 HydrophobicContact CB-CE1 4.36Å; F112-F129 HydrophobicContact CB-CZ 4.23Å; F112-I159 HydrophobicContact CE1-CD1 4.4Å; F112-I159 HydrophobicContact CZ-CD1 3.89Å
113	F	98.5	Very high	95.6	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.1	171.5	65.6	-88.6	0	0	0	112.3	M61 V62 Q63 F92 A99 M100 A101 T115 L122 H126	M61-F113 HydrophobicContact CB-CB 4.36Å; M61-F113 HydrophobicContact CB-CD2 3.96Å; M61-F113 HydrophobicContact CB-CG 4.5Å; M61-F113 HydrophobicContact SD-CB 4.09Å; V62-F113 CarbonylContact O-C 3.52Å; V62-F113 WeakPolarHBondContact O-CA 3.39Å; V62-F113 WeakPolarHBondContact O-CB 3.35Å; Q63-F113 HydrophobicContact CB-CB 4.02Å; F92-F113 AromaticContact CE1-CE2 3.69Å; F92-F113 HydrophobicContact CE1-CE2 3.69Å; F92-F113 AromaticContact CE1-CZ 3.8Å; F92-F113 HydrophobicContact CE1-CZ 3.8Å; F92-F113 HydrophobicContact CZ-CE2 4.12Å; F92-F113 AromaticContact CZ-CZ 3.73Å; F92-F113 HydrophobicContact CZ-CZ 3.73Å; A99-F113 HydrophobicContact CB-CD1 4.41Å; A99-F113 HydrophobicContact CB-CE1 3.76Å; A99-F113 HydrophobicContact CB-CE2 3.93Å; A99-F113 HydrophobicContact CB-CZ 3.5Å; A99-F113 VanDerWaalsContact CB-CZ 3.5Å; A99-F113 PolarHBondContact N-O 3.08Å; A99-F113 PolarHBondContact O-N 2.85Å; M100-F113 WeakPolarHBondContact O-CE1 3.2Å; A101-F113 HydrophobicContact CB-CD1 4.34Å; F113-T115 HydrophobicContact CD2-CG2 4.24Å; F113-T115 HydrophobicContact CE2-CG2 3.91Å; F113-L122 HydrophobicContact CE2-CD1 3.94Å; F113-L122 HydrophobicContact CZ-CD1 3.82Å; F113-H126 HydrophobicContact CE1-CB 4.2Å; F113-H126 AromaticContact CE1-CG 3.96Å; F113-H126 AromaticContact CE1-ND1 3.81Å; F113-H126 HydrophobicContact CZ-CB 4.16Å
114	L	98.4	Very high	95.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.3	170	-68.3	172.3	0	0	0	108.7	I23 V25 M61 V62 I97 L98 V132 V139	I23-L114 HydrophobicContact CG2-CD1 4.33Å; V25-L114 HydrophobicContact CG1-CD2 4.36Å; M61-L114 CarbonylContact C-O 3.47Å; M61-L114 VanDerWaalsContact CA-O 3.24Å; M61-L114 WeakPolarHBondContact CA-O 3.4Å; V62-L114 PolarHBondContact N-O 3.4Å; V62-L114 PolarHBondContact O-N 3.23Å; I97-L114 VanDerWaalsContact O-CA 3.32Å; I97-L114 WeakPolarHBondContact O-CA 3.33Å; L98-L114 HydrophobicContact CB-CD2 3.91Å; L98-L114 HydrophobicContact CD1-CD2 3.75Å; L98-L114 HydrophobicContact CD1-CG 4.4Å; L98-L114 HydrophobicContact CG-CD2 4.41Å; L114-V132 HydrophobicContact CD1-CG2 4.25Å; L114-V132 HydrophobicContact CD2-CG2 3.7Å; L114-V139 HydrophobicContact CB-CG1 4.1Å; L114-V139 HydrophobicContact CD1-CG1 4.24Å; L114-V139 HydrophobicContact CD1-CG2 3.88Å
115	T	98.4	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.5	177.2	57.3	0	0	0	0	112.1	F92 G94 A95 G96 I97 F113 T119	F92-T115 HydrophobicContact CD1-CG2 3.62Å; F92-T115 HydrophobicContact CE1-CG2 3.97Å; G94-T115 PolarHBondContact O-OG1 2.73Å; A95-T115 CarbonylContact C-O 3.42Å; A95-T115 WeakPolarHBondContact CA-O 3.28Å; G96-T115 PolarHBondContact N-O 3.03Å; G96-T115 PolarHBondContact N-OG1 2.82Å; I97-T115 HydrophobicContact CB-CG2 4.18Å; I97-T115 WeakPolarHBondContact CB-OG1 3.33Å; I97-T115 PolarHBondContact N-OG1 3.31Å; I97-T115 PolarHBondContact O-N 3.23Å; F113-T115 HydrophobicContact CD2-CG2 4.24Å; F113-T115 HydrophobicContact CE2-CG2 3.91Å; T115-T119 HydrophobicContact CG2-CG2 4.46Å
116	L	97.6	Very high	96	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.115	21%	0.213	C	C	.	.	S	Bend	trans	-108	-3.4	173.4	-64.2	172.2	0	0	0	112.6	I57 F60 V62 V139 G143	I57-L116 WeakPolarHBondContact O-CD1 3.45Å; F60-L116 PolarHBondContact O-N 2.92Å; V62-L116 HydrophobicContact CG2-CD1 3.89Å; V62-L116 HydrophobicContact CG2-CD2 3.96Å; V62-L116 HydrophobicContact CG2-CG 4.05Å; L116-V139 HydrophobicContact CD2-CG1 3.81Å; L116-G143 VanDerWaalsContact CD1-CA 3.44Å
117	G	96.2	Very high	96.2	Very high	10 Å²	10	35.4 Å²	35.4	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-169.4	-175.8	178.3	0	0	0	0	0	111.3	G94	G94-G117 CarbonylContact C-O 3.5Å
118	P	96.4	Very high	96.3	Very high	81 Å²	81	34.5 Å²	34.5	53%	0.526	18%	0.184	S	C	.	.			trans	-65.5	131.3	173.1	-17.4	30.8	0	0	0	111.4	F92	F92-P118 WeakPolarHBondContact O-CA 3.36Å
119	T	95.1	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.			trans	-136.6	52.3	-176.1	62.4	0	0	0	0	111.8	F60 F92 T115 W121 L122	F60-T119 HydrophobicContact CD2-CG2 3.46Å; F60-T119 VanDerWaalsContact CD2-CG2 3.46Å; F60-T119 HydrophobicContact CE2-CG2 3.68Å; F92-T119 WeakPolarHBondContact CB-O 3.31Å; F92-T119 VanDerWaalsContact CB-OG1 3.23Å; F92-T119 WeakPolarHBondContact CB-OG1 3.4Å; F92-T119 WeakPolarHBondContact CD1-OG1 3.4Å; F92-T119 WeakPolarHBondContact CG-OG1 3.5Å; F92-T119 PolarHBondContact O-N 3.26Å; T115-T119 HydrophobicContact CG2-CG2 4.46Å; T119-W121 HydrophobicContact CG2-CH2 4.04Å; T119-W121 HydrophobicContact CG2-CZ2 3.8Å; T119-W121 PolarHBondContact O-N 3.41Å; T119-L122 WeakPolarHBondContact O-CB 3.41Å; T119-L122 PolarHBondContact O-N 3.01Å
120	Q	93.9	Very high	96.5	Very high	131 Å²	131	34 Å²	34	61%	0.612	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-57.7	-22.1	-172.4	-66.3	179.6	0.6	0	0	114.6	L122 D123	Q120-L122 PolarHBondContact O-N 2.89Å; Q120-L122 VanDerWaalsContact O-N 3.16Å; Q120-D123 VanDerWaalsContact O-CB 3.25Å; Q120-D123 WeakPolarHBondContact O-CB 3.35Å; Q120-D123 VanDerWaalsContact O-CG 3.3Å; Q120-D123 PolarHBondContact O-N 2.74Å
121	W	94.6	Very high	96.5	Very high	150 Å²	150	39.5 Å²	39.5	57%	0.568	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-67.1	-10.7	175.1	58.3	85.7	0	0	0	114.1	F60 T119 K125	F60-W121 AromaticContact CD2-CZ2 3.67Å; F60-W121 HydrophobicContact CD2-CZ2 3.67Å; F60-W121 AromaticContact CE2-CE2 3.89Å; F60-W121 AromaticContact CE2-CZ2 3.61Å; F60-W121 HydrophobicContact CE2-CZ2 3.61Å; F60-W121 AromaticContact CE2-NE1 3.61Å; T119-W121 HydrophobicContact CG2-CH2 4.04Å; T119-W121 HydrophobicContact CG2-CZ2 3.8Å; T119-W121 PolarHBondContact O-N 3.41Å; W121-K125 PolarHBondContact O-NZ 3.43Å
122	L	94.3	Very high	96.6	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.089	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-91.9	-10.2	172.7	-57.8	-174.2	0	0	0	112.9	F60 F92 F113 T119 Q120 G124 K125 H126	F60-L122 HydrophobicContact CE2-CD1 3.88Å; F60-L122 HydrophobicContact CE2-CG 4.47Å; F60-L122 HydrophobicContact CZ-CD1 4.09Å; F92-L122 HydrophobicContact CD2-CB 3.53Å; F92-L122 HydrophobicContact CE2-CB 3.52Å; F92-L122 HydrophobicContact CG-CB 4.25Å; F92-L122 HydrophobicContact CZ-CB 4.23Å; F113-L122 HydrophobicContact CE2-CD1 3.94Å; F113-L122 HydrophobicContact CZ-CD1 3.82Å; T119-L122 WeakPolarHBondContact O-CB 3.41Å; T119-L122 PolarHBondContact O-N 3.01Å; Q120-L122 PolarHBondContact O-N 2.89Å; Q120-L122 VanDerWaalsContact O-N 3.16Å; L122-G124 PolarHBondContact O-N 3.42Å; L122-K125 WeakPolarHBondContact O-CB 3.4Å; L122-K125 PolarHBondContact O-N 2.94Å; L122-H126 PolarHBondContact O-N 3.08Å
123	D	92.4	Very high	96.5	Very high	48 Å²	48	42.1 Å²	42.1	26%	0.257	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	132.1	178.3	-70	-9.7	0	0	0	109.7	K91 F92 Q120 K125	K91-D123 WeakPolarHBondContact CA-OD1 3.47Å; F92-D123 VanDerWaalsContact CD2-OD1 3.31Å; F92-D123 WeakPolarHBondContact CD2-OD1 3.23Å; F92-D123 PolarHBondContact N-OD1 2.98Å; Q120-D123 VanDerWaalsContact O-CB 3.25Å; Q120-D123 WeakPolarHBondContact O-CB 3.35Å; Q120-D123 VanDerWaalsContact O-CG 3.3Å; Q120-D123 PolarHBondContact O-N 2.74Å; D123-K125 PolarHBondContact O-N 3.36Å
124	G	91.6	Very high	96.5	Very high	57 Å²	57	48 Å²	48	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	10.3	-177.9	0	0	0	0	0	115.3	L86 L122	L86-G124 WeakPolarHBondContact CD1-O 3.45Å; L122-G124 PolarHBondContact O-N 3.42Å
125	K	94.8	Very high	96.4	Very high	124 Å²	124	49 Å²	49	54%	0.539	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-21.6	176.4	-60.6	179.3	-174.4	161.8	0	114.1	N102 W121 L122 D123	N102-K125 PolarHBondContact ND2-O 3.27Å; W121-K125 PolarHBondContact O-NZ 3.43Å; L122-K125 WeakPolarHBondContact O-CB 3.4Å; L122-K125 PolarHBondContact O-N 2.94Å; D123-K125 PolarHBondContact O-N 3.36Å
126	H	97.1	Very high	96.4	Very high	33 Å²	33	52.4 Å²	52.4	15%	0.153	27%	0.274	C	S	.	.	S	Bend	trans	-132.6	137.6	-177.8	-67.2	-84.2	0	0	0	110.1	F92 A99 M100 N102 F113 L122 I128	F92-H126 HydrophobicContact CE2-CB 4.14Å; F92-H126 HydrophobicContact CZ-CB 3.93Å; A99-H126 HydrophobicContact CB-CB 4.48Å; M100-H126 PolarHBondContact O-ND1 2.8Å; N102-H126 PolarHBondContact OD1-CE1 2.9Å; F113-H126 HydrophobicContact CE1-CB 4.2Å; F113-H126 AromaticContact CE1-CG 3.96Å; F113-H126 AromaticContact CE1-ND1 3.81Å; F113-H126 HydrophobicContact CZ-CB 4.16Å; L122-H126 PolarHBondContact O-N 3.08Å; H126-I128 PolarHBondContact O-N 3.4Å
127	S	97.9	Very high	96.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.			trans	-71.2	109.5	177.2	-57.9	0	0	0	0	110.1	D84 E85 A99 M100	D84-S127 VanDerWaalsContact CA-OG 3.3Å; D84-S127 WeakPolarHBondContact CA-OG 3.38Å; D84-S127 PolarHBondContact OD1-OG 3.1Å; E85-S127 PolarHBondContact N-OG 2.91Å; A99-S127 CarbonylContact C-O 3.58Å; A99-S127 WeakPolarHBondContact CA-O 3.27Å; A99-S127 WeakPolarHBondContact CB-O 3.26Å; M100-S127 PolarHBondContact N-O 3.29Å
128	I	98.4	Very high	96.5	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.3	169.1	-63.9	170.6	0	0	0	107.7	Y28 L90 F92 I97 A99 H126	Y28-I128 HydrophobicContact CD2-CG2 4.29Å; Y28-I128 HydrophobicContact CE2-CG2 4.2Å; L90-I128 HydrophobicContact CB-CB 4.05Å; L90-I128 HydrophobicContact CB-CD1 4.04Å; L90-I128 HydrophobicContact CB-CG2 4.2Å; L90-I128 HydrophobicContact CD1-CB 4.12Å; L90-I128 HydrophobicContact CD1-CG2 4.07Å; L90-I128 WeakPolarHBondContact CD1-O 3.2Å; F92-I128 HydrophobicContact CD1-CD1 4.12Å; F92-I128 HydrophobicContact CD1-CG1 4.32Å; F92-I128 HydrophobicContact CD2-CD1 3.88Å; F92-I128 HydrophobicContact CD2-CG1 4.34Å; F92-I128 HydrophobicContact CE1-CD1 4.08Å; F92-I128 HydrophobicContact CE1-CG1 3.77Å; F92-I128 HydrophobicContact CE2-CD1 3.8Å; F92-I128 HydrophobicContact CE2-CG1 3.77Å; F92-I128 HydrophobicContact CG-CD1 4.05Å; F92-I128 HydrophobicContact CZ-CD1 3.92Å; F92-I128 HydrophobicContact CZ-CG1 3.47Å; F92-I128 VanDerWaalsContact CZ-CG1 3.47Å; I97-I128 HydrophobicContact CG2-CB 4.45Å; I97-I128 HydrophobicContact CG2-CD1 4.21Å; I97-I128 HydrophobicContact CG2-CG1 4.03Å; I97-I128 HydrophobicContact CG2-CG2 3.65Å; A99-I128 HydrophobicContact CB-CG1 4.3Å; H126-I128 PolarHBondContact O-N 3.4Å
129	F	98.4	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	7.4	-174.3	72.1	-89.2	0	0	0	113.8	L27 Y28 A32 T35 C36 F39 L98 A99 M100 F112	L27-F129 HydrophobicContact CD2-CD2 4.09Å; L27-F129 HydrophobicContact CD2-CE2 4.16Å; Y28-F129 PolarHBondContact N-O 3.44Å; A32-F129 HydrophobicContact CB-CB 3.72Å; T35-F129 HydrophobicContact CG2-CB 3.58Å; T35-F129 HydrophobicContact CG2-CD1 3.38Å; T35-F129 HydrophobicContact CG2-CD2 4Å; T35-F129 HydrophobicContact CG2-CE1 3.95Å; T35-F129 HydrophobicContact CG2-CG 3.39Å; T35-F129 HydrophobicContact CG2-CZ 4.47Å; C36-F129 PolarHBondContact SG-O 3Å; C36-F129 VanDerWaalsContact SG-O 3.34Å; F39-F129 HydrophobicContact CB-CD2 4.39Å; F39-F129 HydrophobicContact CB-CE2 3.56Å; F39-F129 HydrophobicContact CB-CZ 4.07Å; F39-F129 AromaticContact CD1-CE2 3.86Å; F39-F129 HydrophobicContact CD1-CE2 3.86Å; F39-F129 AromaticContact CD2-CE2 3.87Å; F39-F129 HydrophobicContact CD2-CE2 3.87Å; F39-F129 AromaticContact CD2-CZ 3.76Å; F39-F129 HydrophobicContact CD2-CZ 3.76Å; F39-F129 HydrophobicContact CE2-CZ 4.33Å; F39-F129 AromaticContact CG-CE2 3.49Å; F39-F129 HydrophobicContact CG-CE2 3.49Å; F39-F129 VanDerWaalsContact CG-CE2 3.49Å; F39-F129 AromaticContact CG-CZ 3.88Å; F39-F129 HydrophobicContact CG-CZ 3.88Å; L98-F129 HydrophobicContact CD1-CE1 4.21Å; L98-F129 HydrophobicContact CD1-CE2 4.39Å; L98-F129 HydrophobicContact CD1-CZ 3.78Å; L98-F129 HydrophobicContact CD2-CD2 3.91Å; L98-F129 HydrophobicContact CD2-CE1 4.34Å; L98-F129 HydrophobicContact CD2-CE2 3.27Å; L98-F129 HydrophobicContact CD2-CZ 3.54Å; L98-F129 HydrophobicContact CG-CD1 4.31Å; L98-F129 HydrophobicContact CG-CD2 4.23Å; L98-F129 HydrophobicContact CG-CE1 3.75Å; L98-F129 HydrophobicContact CG-CE2 3.64Å; L98-F129 HydrophobicContact CG-CZ 3.39Å; L98-F129 PolarHBondContact O-N 2.99Å; A99-F129 VanDerWaalsContact C-CE1 3.45Å; M100-F129 HydrophobicContact CG-CD1 3.92Å; M100-F129 HydrophobicContact CG-CE1 3.76Å; M100-F129 HydrophobicContact SD-CD1 4.3Å; M100-F129 HydrophobicContact SD-CE1 3.62Å; M100-F129 HydrophobicContact SD-CZ 4.07Å; F112-F129 HydrophobicContact CB-CE1 4.36Å; F112-F129 HydrophobicContact CB-CZ 4.23Å
130	G	98.2	Very high	96.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177	-169.2	174.7	0	0	0	0	0	113.7	E26 L98	E26-G130 CarbonylContact O-C 3.51Å; E26-G130 WeakPolarHBondContact O-CA 3.37Å; L98-G130 PolarHBondContact N-O 3Å; L98-G130 PolarHBondContact O-N 2.88Å
131	R	98.4	Very high	96.7	Very high	118 Å²	118	53 Å²	53	45%	0.445	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161.4	172.1	63.4	172.1	173	-163.7	-0.3	111.5	V25 E26 Y28 G96 C133	V25-R131 CarbonylContact C-O 3.52Å; V25-R131 WeakPolarHBondContact CA-O 3.39Å; E26-R131 HydrophobicContact CB-CG 4.44Å; E26-R131 PolarHBondContact N-O 3.16Å; E26-R131 PolarHBondContact O-N 2.85Å; E26-R131 IonicContact OE2-CZ 2.83Å; E26-R131 IonicContact OE2-NE 3.34Å; E26-R131 PolarHBondContact OE2-NE 3.41Å; E26-R131 IonicContact OE2-NH2 2.82Å; E26-R131 PolarHBondContact OE2-NH2 2.92Å; Y28-R131 HydrophobicContact CE1-CG 4.07Å; Y28-R131 WeakPolarHBondContact OH-CD 3.18Å; Y28-R131 VanDerWaalsContact OH-CG 3.25Å; Y28-R131 WeakPolarHBondContact OH-CG 3.24Å; G96-R131 CarbonylContact O-C 3.37Å; G96-R131 WeakPolarHBondContact O-CA 3.39Å; R131-C133 PolarHBondContact O-N 3.2Å
132	V	98.4	Very high	96.8	Very high	18 Å²	18	46 Å²	46	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119.9	169	-178.8	0	0	0	0	108.7	I23 V24 V25 G96 L114 Q134 I136 V139	I23-V132 HydrophobicContact CG2-CG1 4.09Å; I23-V132 HydrophobicContact CG2-CG2 4.11Å; V24-V132 WeakPolarHBondContact O-CA 3.11Å; V25-V132 HydrophobicContact CG1-CG2 4.25Å; G96-V132 PolarHBondContact O-N 3.03Å; L114-V132 HydrophobicContact CD1-CG2 4.25Å; L114-V132 HydrophobicContact CD2-CG2 3.7Å; V132-Q134 VanDerWaalsContact CG1-O 3.24Å; V132-Q134 WeakPolarHBondContact CG1-O 3.4Å; V132-I136 HydrophobicContact CB-CD1 4.25Å; V132-I136 HydrophobicContact CG1-CB 4.17Å; V132-I136 HydrophobicContact CG1-CD1 4.31Å; V132-I136 HydrophobicContact CG2-CD1 4.48Å; V132-V139 HydrophobicContact CG1-CG2 4.47Å; V132-V139 HydrophobicContact CG2-CG2 4.01Å
133	C	97.6	Very high	96.9	Very high	57 Å²	57	45.3 Å²	45.3	39%	0.385	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-24.4	173.8	61.9	0	0	0	0	112.3	V24 E26 R131	V24-C133 PolarHBondContact O-N 3Å; V24-C133 PolarHBondContact O-SG 3.04Å; V24-C133 VanDerWaalsContact O-SG 3.32Å; E26-C133 HydrophobicContact CB-CB 4.06Å; R131-C133 PolarHBondContact O-N 3.2Å
134	Q	98.1	Very high	97.1	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.5	171.3	-52.1	-179.2	17	0	0	110.9	V24 V132	V24-Q134 HydrophobicContact CB-CB 3.93Å; V24-Q134 HydrophobicContact CB-CG 4.35Å; V24-Q134 HydrophobicContact CG2-CB 4.01Å; V24-Q134 PolarHBondContact N-O 2.88Å; V24-Q134 PolarHBondContact O-N 3.05Å; V24-Q134 VanDerWaalsContact O-N 3.16Å; V132-Q134 VanDerWaalsContact CG1-O 3.24Å; V132-Q134 WeakPolarHBondContact CG1-O 3.4Å
135	G	97.4	Very high	97.3	Very high	22 Å²	22	48.9 Å²	48.9	23%	0.227	25%	0.246	C	C	.	.			trans	83.5	23.4	177.4	0	0	0	0	0	114.8	S137 V138 V139	G135-S137 PolarHBondContact O-N 3.36Å; G135-V138 WeakPolarHBondContact O-CA 3.49Å; G135-V138 VanDerWaalsContact O-CB 3.24Å; G135-V138 WeakPolarHBondContact O-CB 3.31Å; G135-V138 PolarHBondContact O-N 3.16Å; G135-V139 PolarHBondContact O-N 3.16Å
136	I	97.7	Very high	97.4	Very high	72 Å²	72	50.8 Å²	50.8	37%	0.369	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-33.7	175.4	-168.1	60.5	0	0	0	112.5	V132 V138 V139 N140	V132-I136 HydrophobicContact CB-CD1 4.25Å; V132-I136 HydrophobicContact CG1-CB 4.17Å; V132-I136 HydrophobicContact CG1-CD1 4.31Å; V132-I136 HydrophobicContact CG2-CD1 4.48Å; I136-V138 PolarHBondContact O-N 2.98Å; I136-V139 HydrophobicContact CD1-CB 4.32Å; I136-V139 WeakPolarHBondContact O-CB 3.47Å; I136-V139 PolarHBondContact O-N 3.02Å; I136-V139 VanDerWaalsContact O-N 3.17Å; I136-N140 VanDerWaalsContact O-CG 3.31Å; I136-N140 PolarHBondContact O-N 3.48Å; I136-N140 PolarHBondContact O-OD1 3.02Å
137	S	97.6	Very high	97.4	Very high	67 Å²	67	51.9 Å²	51.9	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-31.2	173.2	59.1	0	0	0	0	112.6	G135 R141	G135-S137 PolarHBondContact O-N 3.36Å; S137-R141 WeakPolarHBondContact O-CG 3.19Å; S137-R141 PolarHBondContact O-N 2.94Å; S137-R141 VanDerWaalsContact O-N 3.08Å
138	V	97.9	Very high	97.2	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-46.9	174.6	-174	0	0	0	0	109.5	M20 I23 G135 I136 N140 R141 V142	M20-V138 HydrophobicContact CB-CG1 4.08Å; M20-V138 WeakPolarHBondContact O-CG1 3.49Å; I23-V138 HydrophobicContact CD1-CB 4.41Å; I23-V138 HydrophobicContact CD1-CG1 4.1Å; I23-V138 HydrophobicContact CG1-CB 3.88Å; I23-V138 HydrophobicContact CG1-CG1 3.94Å; G135-V138 WeakPolarHBondContact O-CA 3.49Å; G135-V138 VanDerWaalsContact O-CB 3.24Å; G135-V138 WeakPolarHBondContact O-CB 3.31Å; G135-V138 PolarHBondContact O-N 3.16Å; I136-V138 PolarHBondContact O-N 2.98Å; V138-N140 VanDerWaalsContact C-N 3.3Å; V138-N140 PolarHBondContact O-N 3.16Å; V138-R141 PolarHBondContact O-N 2.91Å; V138-R141 VanDerWaalsContact O-N 3.15Å; V138-V142 HydrophobicContact CG1-CG2 4.34Å; V138-V142 VanDerWaalsContact O-CG2 3.27Å; V138-V142 WeakPolarHBondContact O-CG2 3.3Å; V138-V142 PolarHBondContact O-N 3.47Å
139	V	97.3	Very high	97	Very high	1 Å²	1	61 Å²	61	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-43.9	176.5	-176.8	0	0	0	0	111.1	I23 L114 L116 V132 G135 I136 R141 V142 G143	I23-V139 HydrophobicContact CD1-CG2 3.66Å; I23-V139 HydrophobicContact CG1-CG2 3.84Å; I23-V139 HydrophobicContact CG2-CG2 3.93Å; L114-V139 HydrophobicContact CB-CG1 4.1Å; L114-V139 HydrophobicContact CD1-CG1 4.24Å; L114-V139 HydrophobicContact CD1-CG2 3.88Å; L116-V139 HydrophobicContact CD2-CG1 3.81Å; V132-V139 HydrophobicContact CG1-CG2 4.47Å; V132-V139 HydrophobicContact CG2-CG2 4.01Å; G135-V139 PolarHBondContact O-N 3.16Å; I136-V139 HydrophobicContact CD1-CB 4.32Å; I136-V139 WeakPolarHBondContact O-CB 3.47Å; I136-V139 PolarHBondContact O-N 3.02Å; I136-V139 VanDerWaalsContact O-N 3.17Å; V139-R141 PolarHBondContact O-N 3.36Å; V139-V142 WeakPolarHBondContact O-CB 3.44Å; V139-V142 PolarHBondContact O-N 3.36Å; V139-G143 PolarHBondContact O-N 3Å
140	N	96.4	Very high	96.7	Very high	65 Å²	65	66.9 Å²	66.9	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-42.6	176.8	-67.2	-11.9	0	0	0	112.1	I136 V138 G143 M144	I136-N140 VanDerWaalsContact O-CG 3.31Å; I136-N140 PolarHBondContact O-N 3.48Å; I136-N140 PolarHBondContact O-OD1 3.02Å; V138-N140 VanDerWaalsContact C-N 3.3Å; V138-N140 PolarHBondContact O-N 3.16Å; N140-G143 PolarHBondContact O-N 3.16Å; N140-M144 WeakPolarHBondContact O-CG 3.25Å; N140-M144 PolarHBondContact O-N 2.88Å
141	R	97	Very high	96.6	Very high	117 Å²	117	69.2 Å²	69.2	44%	0.442	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-43	175.4	-72.6	-169.3	-53.1	-108.3	8.4	112.1	M20 S137 V138 V139 G143 M144	M20-R141 HydrophobicContact CE-CB 3.87Å; M20-R141 PolarHBondContact O-NH2 3.23Å; S137-R141 WeakPolarHBondContact O-CG 3.19Å; S137-R141 PolarHBondContact O-N 2.94Å; S137-R141 VanDerWaalsContact O-N 3.08Å; V138-R141 PolarHBondContact O-N 2.91Å; V138-R141 VanDerWaalsContact O-N 3.15Å; V139-R141 PolarHBondContact O-N 3.36Å; R141-G143 VanDerWaalsContact C-N 3.26Å; R141-G143 PolarHBondContact O-N 2.59Å; R141-M144 PolarHBondContact O-N 2.82Å; R141-M144 VanDerWaalsContact O-N 3.12Å
142	V	96.8	Very high	96.4	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-41.4	175.1	170.2	0	0	0	0	110	M20 F53 I56 V62 V138 V139 M144 V145 I157	M20-V142 HydrophobicContact CB-CG2 4.11Å; M20-V142 HydrophobicContact CG-CG2 4.31Å; M20-V142 HydrophobicContact SD-CB 4.34Å; M20-V142 HydrophobicContact SD-CG2 3.57Å; M20-V142 VanDerWaalsContact SD-CG2 3.57Å; F53-V142 HydrophobicContact CD2-CG1 4.21Å; I56-V142 HydrophobicContact CD1-CG1 3.57Å; I56-V142 WeakPolarHBondContact CD1-O 3.44Å; V62-V142 HydrophobicContact CB-CG1 4.38Å; V62-V142 HydrophobicContact CG1-CG1 3.52Å; V62-V142 HydrophobicContact CG2-CG1 3.91Å; V138-V142 HydrophobicContact CG1-CG2 4.34Å; V138-V142 VanDerWaalsContact O-CG2 3.27Å; V138-V142 WeakPolarHBondContact O-CG2 3.3Å; V138-V142 PolarHBondContact O-N 3.47Å; V139-V142 WeakPolarHBondContact O-CB 3.44Å; V139-V142 PolarHBondContact O-N 3.36Å; V142-M144 PolarHBondContact O-N 2.98Å; V142-V145 WeakPolarHBondContact O-CG2 3.4Å; V142-V145 PolarHBondContact O-N 2.98Å; V142-I157 HydrophobicContact CB-CD1 4.3Å; V142-I157 HydrophobicContact CG1-CD1 3.83Å; V142-I157 HydrophobicContact CG1-CG2 4.41Å; V142-I157 HydrophobicContact CG2-CD1 4.3Å; V142-I157 HydrophobicContact CG2-CG2 4.09Å
143	G	96.3	Very high	96.2	Very high	4 Å²	4	67.9 Å²	67.9	4%	0.041	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.1	176.8	0	0	0	0	0	116.3	L116 V139 N140 R141	L116-G143 VanDerWaalsContact CD1-CA 3.44Å; V139-G143 PolarHBondContact O-N 3Å; N140-G143 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact C-N 3.26Å; R141-G143 PolarHBondContact O-N 2.59Å
144	M	95.9	Very high	96	Very high	137 Å²	137	68.6 Å²	68.6	68%	0.675	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-1.7	-178.6	-71.2	179.5	-176	0	0	113.6	N140 R141 V142	N140-M144 WeakPolarHBondContact O-CG 3.25Å; N140-M144 PolarHBondContact O-N 2.88Å; R141-M144 PolarHBondContact O-N 2.82Å; R141-M144 VanDerWaalsContact O-N 3.12Å; V142-M144 PolarHBondContact O-N 2.98Å
145	V	96.3	Very high	95.8	Very high	42 Å²	42	68.9 Å²	68.9	26%	0.255	38%	0.376	S	S	.	.	S	Bend	trans	-68.5	153.9	-179.8	-55.6	0	0	0	0	111.8	M20 I56 V142 P153 I157	M20-V145 HydrophobicContact CE-CG1 4.21Å; M20-V145 HydrophobicContact SD-CG1 4.13Å; I56-V145 HydrophobicContact CD1-CG2 3.88Å; V142-V145 WeakPolarHBondContact O-CG2 3.4Å; V142-V145 PolarHBondContact O-N 2.98Å; V145-P153 HydrophobicContact CG2-CB 4.06Å; V145-P153 HydrophobicContact CG2-CG 4.29Å; V145-I157 HydrophobicContact CB-CD1 4.26Å; V145-I157 HydrophobicContact CG1-CD1 3.67Å; V145-I157 HydrophobicContact CG2-CD1 3.76Å
146	E	96.2	Very high	95.6	Very high	164 Å²	164	71.4 Å²	71.4	77%	0.766	38%	0.384	S	S	*	.			trans	-68.2	134.5	175.9	-64.9	-173	162.7	0	0	110.9	P153 A154	E146-P153 WeakPolarHBondContact O-CA 3.48Å; E146-A154 PolarHBondContact O-N 2.77Å
147	T	96.8	Very high	95.6	Very high	57 Å²	57	68.4 Å²	68.4	35%	0.35	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-123.3	149.8	178.8	59.8	0	0	0	0	110.7	I56 R152	I56-T147 HydrophobicContact CB-CG2 4Å; I56-T147 HydrophobicContact CG2-CG2 4.45Å; I56-T147 WeakPolarHBondContact O-CG2 3.17Å; T147-R152 CarbonylContact C-O 3.57Å; T147-R152 WeakPolarHBondContact CA-O 3.44Å; T147-R152 WeakPolarHBondContact CB-O 3.19Å
148	N	93.9	Very high	95.6	Very high	77 Å²	77	68.3 Å²	68.3	41%	0.412	36%	0.36	S	S	.	.			trans	-75.8	-177.1	172.2	71.3	16.1	0	0	0	111.7	Q150 D151 R152	N148-Q150 PolarHBondContact O-N 3.16Å; N148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.4Å; N148-Q150 PolarHBondContact OD1-N 2.93Å; N148-D151 PolarHBondContact O-N 2.65Å; N148-R152 PolarHBondContact N-O 2.97Å; N148-R152 WeakPolarHBondContact OD1-CB 3.37Å; N148-R152 PolarHBondContact OD1-N 3.4Å; N148-R152 VanDerWaalsContact OD1-N 3.07Å; N148-R152 PolarHBondContact OD1-O 2.87Å
149	S	93.4	Very high	95.6	Very high	125 Å²	125	67.9 Å²	67.9	87%	0.874	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.8	179.6	56.7	0	0	0	0	115.4
150	Q	92.8	Very high	95.6	Very high	123 Å²	123	72.1 Å²	72.1	58%	0.575	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	17.7	175	-60.7	-177.4	-7.8	0	0	112	N148 R152	N148-Q150 PolarHBondContact O-N 3.16Å; N148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.4Å; N148-Q150 PolarHBondContact OD1-N 2.93Å; Q150-R152 HydrophobicContact CB-CG 4.14Å; Q150-R152 PolarHBondContact O-N 2.75Å; Q150-R152 VanDerWaalsContact O-N 3.13Å
151	D	95.7	Very high	95.7	Very high	49 Å²	49	75.1 Å²	75.1	26%	0.262	39%	0.386	S	S	.	.	S	Bend	trans	59.3	19.8	-175.6	-49.7	-47.1	0	0	0	113.2	R55 I56 I57 N148	R55-D151 CarbonylContact C-O 3.49Å; R55-D151 VanDerWaalsContact CA-O 3.31Å; R55-D151 WeakPolarHBondContact CA-O 3.41Å; R55-D151 HydrophobicContact CG-CB 3.7Å; R55-D151 IonicContact CZ-OD2 2.69Å; R55-D151 IonicContact NE-OD2 3.29Å; R55-D151 PolarHBondContact NE-OD2 2.87Å; R55-D151 IonicContact NH2-OD2 3.21Å; R55-D151 PolarHBondContact NH2-OD2 3.32Å; I56-D151 PolarHBondContact N-O 3.04Å; I57-D151 HydrophobicContact CD1-CB 4.32Å; I57-D151 WeakPolarHBondContact CD1-OD2 3.19Å; I57-D151 HydrophobicContact CG1-CB 3.75Å; N148-D151 PolarHBondContact O-N 2.65Å
152	R	94.8	Very high	95.7	Very high	94 Å²	94	70.1 Å²	70.1	36%	0.355	37%	0.368	S	S	.	.			trans	-89.1	132	177.6	-57.5	-166.5	164.7	-176.3	-2.8	109.8	H54 T70 T147 N148 Q150	H54-R152 WeakPolarHBondContact O-CG 3.43Å; T70-R152 PolarHBondContact O-NH2 2.85Å; T147-R152 CarbonylContact C-O 3.57Å; T147-R152 WeakPolarHBondContact CA-O 3.44Å; T147-R152 WeakPolarHBondContact CB-O 3.19Å; N148-R152 PolarHBondContact N-O 2.97Å; N148-R152 WeakPolarHBondContact OD1-CB 3.37Å; N148-R152 PolarHBondContact OD1-N 3.4Å; N148-R152 VanDerWaalsContact OD1-N 3.07Å; N148-R152 PolarHBondContact OD1-O 2.87Å; Q150-R152 HydrophobicContact CB-CG 4.14Å; Q150-R152 PolarHBondContact O-N 2.75Å; Q150-R152 VanDerWaalsContact O-N 3.13Å
153	P	94.6	Very high	95.7	Very high	13 Å²	13	72.8 Å²	72.8	8%	0.084	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-54.4	139.2	174.5	-28.5	38.6	0	0	0	112.1	I56 V145 E146 D155	I56-P153 HydrophobicContact CB-CG 4.21Å; I56-P153 HydrophobicContact CD1-CG 3.44Å; I56-P153 VanDerWaalsContact CD1-CG 3.44Å; I56-P153 HydrophobicContact CG1-CG 3.63Å; V145-P153 HydrophobicContact CG2-CB 4.06Å; V145-P153 HydrophobicContact CG2-CG 4.29Å; E146-P153 WeakPolarHBondContact O-CA 3.48Å; P153-D155 VanDerWaalsContact C-N 3.32Å; P153-D155 WeakPolarHBondContact CB-O 3.1Å
154	A	92.9	Very high	95.6	Very high	73 Å²	73	73.4 Å²	73.4	60%	0.603	39%	0.388	S	S	*	.	S	Bend	trans	-62.6	-42.9	174.1	0	0	0	0	0	111.1	E146	E146-A154 PolarHBondContact O-N 2.77Å
155	D	93.4	Very high	95.3	Very high	136 Å²	136	69.3 Å²	69.3	73%	0.727	37%	0.371	S	S	*	.	S	Bend	trans	-104.6	133.5	172.1	-66.3	-54.7	0	0	0	111	P153 I157	P153-D155 VanDerWaalsContact C-N 3.32Å; P153-D155 WeakPolarHBondContact CB-O 3.1Å; D155-I157 PolarHBondContact O-N 3.33Å; D155-I157 VanDerWaalsContact O-N 3.13Å
156	D	94.5	Very high	93.6	Very high	75 Å²	75	78.1 Å²	78.1	40%	0.401	42%	0.417	S	S	.	.			trans	-64.2	113.8	-179.6	-90.9	-3.6	0	0	0	111.2	K52 K158	K52-D156 VanDerWaalsContact CD-OD1 3.26Å; K52-D156 WeakPolarHBondContact CD-OD1 3.49Å; K52-D156 IonicContact NZ-OD1 2.86Å; K52-D156 PolarHBondContact NZ-OD1 3.33Å; K52-D156 IonicContact NZ-OD2 3.76Å; K52-D156 PolarHBondContact NZ-OD2 2.85Å; D156-K158 HydrophobicContact CB-CG 4.29Å; D156-K158 WeakPolarHBondContact OD2-CE 3.47Å; D156-K158 IonicContact OD2-NZ 3.98Å
157	I	96.9	Very high	93.5	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.041	40%	0.399	C	S	.	.			trans	-92.1	115.4	167.4	-55.3	169.4	0	0	0	108.7	M20 K52 F53 I56 V142 V145 D155	M20-I157 HydrophobicContact CG-CG2 4.15Å; M20-I157 HydrophobicContact SD-CD1 3.58Å; M20-I157 VanDerWaalsContact SD-CD1 3.58Å; M20-I157 HydrophobicContact SD-CG1 3.97Å; M20-I157 HydrophobicContact SD-CG2 4.23Å; K52-I157 VanDerWaalsContact CA-O 3.28Å; K52-I157 WeakPolarHBondContact CA-O 3.39Å; K52-I157 WeakPolarHBondContact CB-O 3.3Å; F53-I157 HydrophobicContact CD2-CB 4.13Å; F53-I157 HydrophobicContact CD2-CG2 3.65Å; F53-I157 HydrophobicContact CE2-CG2 4.14Å; F53-I157 PolarHBondContact N-O 3.12Å; I56-I157 HydrophobicContact CD1-CD1 3.81Å; V142-I157 HydrophobicContact CB-CD1 4.3Å; V142-I157 HydrophobicContact CG1-CD1 3.83Å; V142-I157 HydrophobicContact CG1-CG2 4.41Å; V142-I157 HydrophobicContact CG2-CD1 4.3Å; V142-I157 HydrophobicContact CG2-CG2 4.09Å; V145-I157 HydrophobicContact CB-CD1 4.26Å; V145-I157 HydrophobicContact CG1-CD1 3.67Å; V145-I157 HydrophobicContact CG2-CD1 3.76Å; D155-I157 PolarHBondContact O-N 3.33Å; D155-I157 VanDerWaalsContact O-N 3.13Å
158	K	97.6	Very high	93.3	Very high	65 Å²	65	74.7 Å²	74.7	28%	0.283	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.1	-172.9	-58.1	-177.6	-175.3	179	0	111.6	T18 T19 T51 K52 D156 L160	T18-K158 CarbonylContact C-O 3.51Å; T18-K158 WeakPolarHBondContact CA-O 3.35Å; T18-K158 WeakPolarHBondContact CB-O 3.43Å; T19-K158 HydrophobicContact CG2-CB 4Å; T19-K158 PolarHBondContact N-O 2.65Å; T19-K158 PolarHBondContact OG1-N 3.4Å; T51-K158 CarbonylContact O-C 3.59Å; T51-K158 WeakPolarHBondContact O-CA 3.21Å; K52-K158 HydrophobicContact CB-CG 4.24Å; D156-K158 HydrophobicContact CB-CG 4.29Å; D156-K158 WeakPolarHBondContact OD2-CE 3.47Å; D156-K158 IonicContact OD2-NZ 3.98Å; K158-L160 HydrophobicContact CB-CD2 4.34Å; K158-L160 PolarHBondContact O-N 2.59Å
159	I	98.3	Very high	93.3	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	104.2	159.3	-56	173.4	0	0	0	105.6	L16 E17 T18 N49 N50 T51 F53 F112 T162	L16-I159 HydrophobicContact CB-CG2 4.37Å; E17-I159 CarbonylContact O-C 3.42Å; T18-I159 HydrophobicContact CG2-CG1 4.39Å; N49-I159 CarbonylContact C-O 3.46Å; N50-I159 VanDerWaalsContact CA-O 3.23Å; N50-I159 WeakPolarHBondContact CA-O 3.24Å; N50-I159 PolarHBondContact N-O 3.33Å; T51-I159 PolarHBondContact N-O 3.22Å; T51-I159 PolarHBondContact O-N 3.31Å; F53-I159 HydrophobicContact CE1-CD1 4.15Å; F53-I159 HydrophobicContact CE1-CG1 4.43Å; F53-I159 HydrophobicContact CE2-CG1 4.06Å; F53-I159 HydrophobicContact CZ-CD1 3.97Å; F53-I159 HydrophobicContact CZ-CG1 3.83Å; F112-I159 HydrophobicContact CE1-CD1 4.4Å; F112-I159 HydrophobicContact CZ-CD1 3.89Å; I159-T162 HydrophobicContact CG2-CG2 3.56Å
160	L	97.9	Very high	93.3	Very high	90 Å²	90	71.6 Å²	71.6	47%	0.471	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-45.6	-179.1	-60.4	176.8	0	0	0	110.3	E17 T19 N50 K158	E17-L160 WeakPolarHBondContact O-CB 3.42Å; E17-L160 PolarHBondContact O-N 3.05Å; T19-L160 HydrophobicContact CG2-CD1 4.35Å; T19-L160 HydrophobicContact CG2-CD2 3.81Å; T19-L160 HydrophobicContact CG2-CG 4.13Å; N50-L160 PolarHBondContact N-O 3.09Å; K158-L160 HydrophobicContact CB-CD2 4.34Å; K158-L160 PolarHBondContact O-N 2.59Å
161	R	97.6	Very high	93.4	Very high	128 Å²	128	68.4 Å²	68.4	48%	0.483	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150	-176.5	-175.2	170.1	67.6	152.5	6	110.7	E17 N49	E17-R161 HydrophobicContact CB-CB 4.33Å; E17-R161 VanDerWaalsContact CD-NH2 3.35Å; E17-R161 PolarHBondContact N-O 2.87Å; E17-R161 PolarHBondContact O-N 2.54Å; E17-R161 IonicContact OE1-CZ 3.48Å; E17-R161 IonicContact OE1-NE 3.45Å; E17-R161 PolarHBondContact OE1-NE 3.42Å; E17-R161 IonicContact OE1-NH2 2.71Å; E17-R161 PolarHBondContact OE1-NH2 3.27Å; E17-R161 IonicContact OE2-CZ 3.42Å; E17-R161 IonicContact OE2-NE 2.87Å; E17-R161 PolarHBondContact OE2-NE 3.14Å; E17-R161 IonicContact OE2-NH2 3.17Å; E17-R161 PolarHBondContact OE2-NH2 3.48Å; E17-R161 VanDerWaalsContact OE2-NH2 3.17Å; N49-R161 WeakPolarHBondContact OD1-CA 3.32Å
162	T	97.4	Very high	93.2	Very high	12 Å²	12	69.7 Å²	69.7	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	168.6	56.9	0	0	0	0	110.8	S15 L16 A43 N49 I159	S15-T162 CarbonylContact O-C 3.45Å; S15-T162 VanDerWaalsContact O-CA 3.24Å; S15-T162 WeakPolarHBondContact O-CA 3.44Å; L16-T162 HydrophobicContact CD2-CG2 3.39Å; A43-T162 VanDerWaalsContact CA-OG1 3.32Å; A43-T162 WeakPolarHBondContact CA-OG1 3.23Å; A43-T162 HydrophobicContact CB-CG2 4.48Å; A43-T162 PolarHBondContact O-OG1 3.33Å; N49-T162 PolarHBondContact OD1-N 2.67Å; N49-T162 PolarHBondContact OD1-OG1 2.82Å; I159-T162 HydrophobicContact CG2-CG2 3.56Å
163	T	96.7	Very high	93.1	Very high	57 Å²	57	67.9 Å²	67.9	35%	0.35	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.1	-179.8	-55.5	0	0	0	0	108.8	S15	S15-T163 PolarHBondContact N-O 3.47Å; S15-T163 PolarHBondContact O-N 2.84Å
164	V	95.1	Very high	93	Very high	17 Å²	17	72.2 Å²	72.2	10%	0.103	39%	0.39	C	S	.	.			trans	-112.2	125.6	175.1	-174.5	0	0	0	0	106.9	W9 P11 V14 A43 R44	W9-V164 HydrophobicContact CZ2-CG1 3.96Å; P11-V164 HydrophobicContact CB-CG1 3.39Å; P11-V164 HydrophobicContact CG-CG1 3.44Å; P11-V164 VanDerWaalsContact CG-CG1 3.44Å; V14-V164 HydrophobicContact CG1-CG2 4.39Å; V14-V164 HydrophobicContact CG2-CG2 4.25Å; A43-V164 HydrophobicContact CB-CG2 3.78Å; R44-V164 HydrophobicContact CB-CB 4.49Å; R44-V164 HydrophobicContact CB-CG2 4.05Å
165	P	88.5	Confident	93	Very high	50 Å²	50	72.1 Å²	72.1	33%	0.325	37%	0.373	S	S	.	.			trans	-62.1	141.9	176.4	27.3	-31.7	0	0	0	109.9	P11 T13	P11-P165 HydrophobicContact CB-CG 4.28Å; T13-P165 WeakPolarHBondContact O-CD 3.43Å
166	N	61.7	Low	92.9	Very high	227 Å²	227	66.3 Å²	66.3	100%	1.214	34%	0.34	S	S	*	.			trans	-68.2	0	176.7	-73.3	-23.8	0	0	0	111.9

Retrieved 166 of 166 residues in 1052.3 ms (Link to these results)

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