A0A060X011_ONCMY Loading...

Peptidyl-prolyl cis-trans isomerase

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

AlphaFold DB (A0A4W5N4K4), UniProt , Accession A0A060X011, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ppih, Length 177 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	82.8	Confident	220 Å²	220	93 Å²	93	100%	1.084	51%	0.514	S	S	*	.				0	125.5	0	-67.7	-178.1	-150.7	0	0	106.8
2	N	61.2	Low	84.1	Confident	122 Å²	122	88.1 Å²	88.1	65%	0.652	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-81.9	124.9	173.6	-69.3	-1.3	0	0	0	107.7	D146	N2-D146 PolarHBondContact OD1-OD1 2.83Å
3	V	75.9	Confident	85.3	Confident	64 Å²	64	81.3 Å²	81.3	39%	0.388	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-92	126.7	173.8	-176.4	0	0	0	0	106.8	V145	V3-V145 PolarHBondContact N-O 2.76Å; V3-V145 WeakPolarHBondContact O-CB 3.42Å
4	Q	78.5	Confident	86.2	Confident	161 Å²	161	77.1 Å²	77.1	75%	0.752	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-60.9	141.5	175.7	-73.6	-73	-14.1	0	0	110.3	K143	Q4-K143 PolarHBondContact O-NZ 3.11Å
5	P	81.6	Confident	87.1	Confident	49 Å²	49	71.9 Å²	71.9	32%	0.318	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-54.5	143.6	170.8	-24.3	34.1	0	0	0	111.2	N7 I12 E30	P5-N7 VanDerWaalsContact C-N 3.27Å; P5-I12 HydrophobicContact CB-CD1 4.37Å; P5-I12 HydrophobicContact CG-CD1 4.13Å; P5-E30 WeakPolarHBondContact CA-OE2 3.48Å; P5-E30 HydrophobicContact CB-CG 4.49Å
6	S	88.3	Confident	87.8	Confident	71 Å²	71	69.7 Å²	69.7	50%	0.497	38%	0.382	S	S	.	.	S	Bend	trans	-66.2	-33.4	175.5	5.5	0	0	0	0	112	E30 F32 K143	S6-E30 WeakPolarHBondContact CB-OE1 3.38Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 3.34Å; S6-E30 PolarHBondContact N-OE2 3.12Å; S6-E30 PolarHBondContact OG-OE1 2.83Å; S6-E30 PolarHBondContact OG-OE2 2.81Å; S6-F32 WeakPolarHBondContact OG-CE1 3.03Å; S6-K143 WeakPolarHBondContact OG-CE 3.25Å; S6-K143 PolarHBondContact OG-NZ 3.17Å
7	N	92.4	Very high	88.4	Confident	37 Å²	37	65.7 Å²	65.7	20%	0.198	36%	0.361	C	S	.	.	S	Bend	trans	-137	127.6	178.6	-173.5	-29.9	0	0	0	108.9	P5 N9 N10 E30 D34	P5-N7 VanDerWaalsContact C-N 3.27Å; N7-N9 PolarHBondContact O-N 2.78Å; N7-N9 WeakPolarHBondContact OD1-CB 3.4Å; N7-N9 PolarHBondContact OD1-N 3.34Å; N7-N10 HydrophobicContact CB-CB 4.29Å; N7-N10 WeakPolarHBondContact CB-ND2 3.28Å; N7-N10 WeakPolarHBondContact O-CB 3.42Å; N7-N10 PolarHBondContact O-N 2.87Å; N7-E30 PolarHBondContact N-OE1 3.18Å; N7-D34 PolarHBondContact ND2-OD2 3.1Å
8	P	91.8	Very high	89	Confident	121 Å²	121	62.8 Å²	62.8	79%	0.786	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.3	-178.5	27.7	-36	0	0	0	113.8
9	N	95.8	Very high	89.5	Confident	143 Å²	143	60.8 Å²	60.8	77%	0.765	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.2	178.5	-60.3	-40.1	0	0	0	113.1	N7	N7-N9 PolarHBondContact O-N 2.78Å; N7-N9 WeakPolarHBondContact OD1-CB 3.4Å; N7-N9 PolarHBondContact OD1-N 3.34Å
10	N	98.3	Very high	89.9	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.059	34%	0.339	C	S	.	.	S	Bend	trans	-74.4	138.8	179.1	-87.2	-12.2	0	0	0	110.9	N7 E30 L31 A33 D34	N7-N10 HydrophobicContact CB-CB 4.29Å; N7-N10 WeakPolarHBondContact CB-ND2 3.28Å; N7-N10 WeakPolarHBondContact O-CB 3.42Å; N7-N10 PolarHBondContact O-N 2.87Å; N10-E30 HydrophobicContact CB-CG 3.77Å; N10-E30 PolarHBondContact ND2-OE1 3.13Å; N10-L31 WeakPolarHBondContact CB-O 3.38Å; N10-A33 PolarHBondContact OD1-N 2.89Å; N10-D34 PolarHBondContact ND2-OD1 2.7Å; N10-D34 PolarHBondContact OD1-N 3.25Å; N10-D34 PolarHBondContact OD1-OD1 3.5Å; N10-D34 VanDerWaalsContact OD1-OD1 3.11Å
11	P	98.6	Very high	90.3	Very high	24 Å²	24	60 Å²	60	16%	0.156	35%	0.353	C	S	.	.			trans	-59.6	140.2	175.2	-23.2	33.3	0	0	0	111.8	L31 A33 R44	P11-L31 HydrophobicContact CB-CB 4.43Å; P11-L31 HydrophobicContact CB-CD1 4.39Å; P11-L31 PolarHBondContact O-N 3.47Å; P11-A33 HydrophobicContact CG-CB 4.12Å; P11-R44 HydrophobicContact CB-CG 4.46Å
12	I	98.6	Very high	92.6	Very high	34 Å²	34	56.6 Å²	56.6	17%	0.174	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.6	170.7	-54.1	-58	0	0	0	108.4	P5 K28 V29 E30 V145 M177	P5-I12 HydrophobicContact CB-CD1 4.37Å; P5-I12 HydrophobicContact CG-CD1 4.13Å; I12-K28 HydrophobicContact CG2-CB 4.14Å; I12-V29 WeakPolarHBondContact CA-O 3.43Å; I12-E30 HydrophobicContact CD1-CB 3.59Å; I12-E30 HydrophobicContact CD1-CG 3.9Å; I12-V145 HydrophobicContact CD1-CG2 4.48Å; I12-V145 HydrophobicContact CG2-CG2 4.49Å; I12-M177 HydrophobicContact CB-CB 4.14Å; I12-M177 HydrophobicContact CB-CG 4.3Å; I12-M177 HydrophobicContact CG2-CB 4.11Å; I12-M177 HydrophobicContact CG2-CG 3.74Å; I12-M177 WeakPolarHBondContact O-CB 3.47Å; I12-M177 PolarHBondContact O-N 3.12Å
13	V	98.8	Very high	94.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	166.4	173.3	-61.4	0	0	0	0	110.9	K28 V29 L31 F43 R44 C47 G175 E176	V13-K28 CarbonylContact O-C 3.32Å; V13-K28 WeakPolarHBondContact O-CA 3.5Å; V13-V29 HydrophobicContact CG2-CB 4.06Å; V13-V29 PolarHBondContact N-O 3.04Å; V13-V29 PolarHBondContact O-N 2.99Å; V13-L31 HydrophobicContact CG1-CD1 3.75Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.1Å; V13-L31 HydrophobicContact CG2-CD2 3.97Å; V13-L31 HydrophobicContact CG2-CG 4.06Å; V13-F43 HydrophobicContact CG2-CD1 4.16Å; V13-F43 HydrophobicContact CG2-CE1 3.9Å; V13-R44 HydrophobicContact CG1-CG 4.08Å; V13-C47 HydrophobicContact CB-CB 4.04Å; V13-C47 HydrophobicContact CG1-CB 3.95Å; V13-G175 CarbonylContact C-O 2.88Å; V13-G175 VanDerWaalsContact CA-O 3.22Å; V13-G175 WeakPolarHBondContact CA-O 3.49Å; V13-G175 VanDerWaalsContact CB-O 3.28Å; V13-G175 WeakPolarHBondContact CB-O 3.33Å; V13-E176 HydrophobicContact CG1-CB 4.49Å
14	F	98.8	Very high	95.5	Very high	22 Å²	22	57.3 Å²	57.3	10%	0.096	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.1	177.5	74.4	-90.3	0	0	0	113.7	R26 M27 K28 Q173 C174 G175 M177	F14-R26 HydrophobicContact CB-CG 4.01Å; F14-R26 HydrophobicContact CD2-CG 4.29Å; F14-R26 VanDerWaalsContact CD2-CZ 3.46Å; F14-M27 CarbonylContact C-O 3.37Å; F14-M27 WeakPolarHBondContact CA-O 3.44Å; F14-M27 WeakPolarHBondContact CB-O 3.44Å; F14-K28 HydrophobicContact CB-CG 4.48Å; F14-Q173 HydrophobicContact CE2-CG 4Å; F14-Q173 HydrophobicContact CZ-CG 4.32Å; F14-C174 WeakPolarHBondContact O-CA 3.42Å; F14-C174 WeakPolarHBondContact O-CB 3.1Å; F14-G175 WeakPolarHBondContact CD1-O 3.47Å; F14-G175 PolarHBondContact N-O 2.98Å; F14-G175 PolarHBondContact O-N 3.07Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4Å; F14-M177 HydrophobicContact CD1-CG 4.18Å; F14-M177 HydrophobicContact CD1-SD 3.61Å; F14-M177 HydrophobicContact CE1-SD 4.42Å; F14-M177 HydrophobicContact CG-SD 4.03Å
15	F	98.8	Very high	96.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.4	168.6	-62.1	-36.1	0	0	0	110.1	V17 R26 M27 F43 F60 F124 I171 C174	F15-V17 HydrophobicContact CB-CG2 4.22Å; F15-R26 CarbonylContact O-C 3.42Å; F15-R26 VanDerWaalsContact O-CA 3.3Å; F15-R26 WeakPolarHBondContact O-CA 3.47Å; F15-M27 HydrophobicContact CB-CE 4.43Å; F15-M27 HydrophobicContact CD2-CE 4.18Å; F15-M27 PolarHBondContact N-O 2.86Å; F15-M27 PolarHBondContact O-N 3.37Å; F15-F43 HydrophobicContact CE2-CE1 4.25Å; F15-F43 AromaticContact CE2-CZ 3.8Å; F15-F43 HydrophobicContact CE2-CZ 3.8Å; F15-F43 AromaticContact CZ-CE1 3.68Å; F15-F43 HydrophobicContact CZ-CE1 3.68Å; F15-F43 HydrophobicContact CZ-CE2 4.45Å; F15-F43 AromaticContact CZ-CZ 3.41Å; F15-F43 HydrophobicContact CZ-CZ 3.41Å; F15-F43 VanDerWaalsContact CZ-CZ 3.41Å; F15-F60 HydrophobicContact CE1-CB 4.1Å; F15-F60 AromaticContact CE1-CD2 3.94Å; F15-F60 HydrophobicContact CE1-CD2 3.94Å; F15-F60 HydrophobicContact CE1-CG 4.34Å; F15-F60 AromaticContact CZ-CD2 3.94Å; F15-F60 HydrophobicContact CZ-CD2 3.94Å; F15-F60 HydrophobicContact CZ-CE2 4.48Å; F15-F60 HydrophobicContact CZ-CG 4.42Å; F15-F124 HydrophobicContact CE2-CE1 4.38Å; F15-F124 HydrophobicContact CE2-CE2 4.04Å; F15-F124 AromaticContact CE2-CZ 3.6Å; F15-F124 HydrophobicContact CE2-CZ 3.6Å; F15-F124 HydrophobicContact CZ-CE1 4.3Å; F15-F124 AromaticContact CZ-CZ 3.96Å; F15-F124 HydrophobicContact CZ-CZ 3.96Å; F15-I171 HydrophobicContact CB-CG2 4.13Å; F15-I171 HydrophobicContact CD1-CD1 4.22Å; F15-I171 HydrophobicContact CD1-CG2 3.61Å; F15-I171 HydrophobicContact CD2-CD1 4.39Å; F15-I171 HydrophobicContact CE1-CD1 4.2Å; F15-I171 HydrophobicContact CE1-CG2 4.28Å; F15-I171 HydrophobicContact CE2-CD1 4.36Å; F15-I171 HydrophobicContact CG-CD1 4.32Å; F15-I171 HydrophobicContact CG-CG1 4.44Å; F15-I171 HydrophobicContact CG-CG2 4.07Å; F15-I171 HydrophobicContact CZ-CD1 4.25Å; F15-C174 HydrophobicContact CD1-CB 3.57Å; F15-C174 HydrophobicContact CE1-CB 3.89Å
16	D	98.8	Very high	97.2	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.193	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121	162.2	-66.5	-39.7	0	0	0	108.5	R26 I171 A172 Q173	D16-R26 VanDerWaalsContact OD1-CB 3.32Å; D16-R26 WeakPolarHBondContact OD1-CB 3.26Å; D16-R26 WeakPolarHBondContact OD1-CG 3.32Å; D16-R26 IonicContact OD1-CZ 2.8Å; D16-R26 IonicContact OD1-NE 3.42Å; D16-R26 PolarHBondContact OD1-NE 3.2Å; D16-R26 IonicContact OD1-NH2 3.02Å; D16-R26 PolarHBondContact OD1-NH2 3.12Å; D16-R26 IonicContact OD2-CZ 3.25Å; D16-R26 IonicContact OD2-NE 3.57Å; D16-R26 IonicContact OD2-NH2 2.68Å; D16-R26 PolarHBondContact OD2-NH2 3.19Å; D16-I171 CarbonylContact O-C 3.6Å; D16-A172 PolarHBondContact O-N 3.23Å; D16-Q173 HydrophobicContact CB-CB 4.03Å; D16-Q173 PolarHBondContact N-O 2.9Å; D16-Q173 PolarHBondContact O-N 3.49Å
17	V	98.8	Very high	97.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.5	-171.2	-177.9	0	0	0	0	110.8	F15 V24 G25 M27 V150 I154 I169 L170	F15-V17 HydrophobicContact CB-CG2 4.22Å; V17-V24 HydrophobicContact CB-CG2 3.85Å; V17-V24 HydrophobicContact CG1-CG2 3.76Å; V17-V24 VanDerWaalsContact O-CG2 3.28Å; V17-V24 WeakPolarHBondContact O-CG2 3.43Å; V17-V24 PolarHBondContact O-N 2.92Å; V17-G25 PolarHBondContact N-O 2.88Å; V17-M27 HydrophobicContact CG2-CE 3.98Å; V17-V150 HydrophobicContact CB-CG1 3.97Å; V17-V150 HydrophobicContact CG2-CG1 4.06Å; V17-I154 HydrophobicContact CG1-CD1 3.96Å; V17-I154 HydrophobicContact CG1-CG1 4.16Å; V17-I154 HydrophobicContact CG2-CD1 4.29Å; V17-I169 HydrophobicContact CG1-CG2 3.81Å; V17-L170 WeakPolarHBondContact CA-O 3.37Å
18	T	98.8	Very high	98	Very high	14 Å²	14	51.2 Å²	51.2	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.9	164.8	64.5	0	0	0	0	111.4	Q22 E23 I169 L170 A172	T18-Q22 CarbonylContact C-O 3.54Å; T18-Q22 WeakPolarHBondContact CA-O 3.33Å; T18-Q22 WeakPolarHBondContact CB-O 3.4Å; T18-E23 HydrophobicContact CG2-CG 3.95Å; T18-I169 CarbonylContact O-C 3.45Å; T18-I169 WeakPolarHBondContact O-CA 3.36Å; T18-L170 PolarHBondContact N-O 3.46Å; T18-L170 PolarHBondContact O-N 3.36Å; T18-A172 HydrophobicContact CG2-CB 3.79Å
19	I	98.6	Very high	98.3	Very high	24 Å²	24	45.4 Å²	45.4	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.2	171.7	-59.9	179.9	0	0	0	107.4	G21 Q22 V24 K153 I154 V157 L167 P168 I169	I19-G21 PolarHBondContact O-N 3.32Å; I19-Q22 PolarHBondContact N-O 2.96Å; I19-Q22 PolarHBondContact O-N 2.98Å; I19-V24 HydrophobicContact CB-CG1 3.94Å; I19-V24 HydrophobicContact CD1-CB 4.36Å; I19-V24 HydrophobicContact CD1-CG1 3.87Å; I19-V24 HydrophobicContact CD1-CG2 3.97Å; I19-V24 HydrophobicContact CG1-CB 4.43Å; I19-V24 HydrophobicContact CG1-CG1 3.81Å; I19-V24 HydrophobicContact CG1-CG2 3.85Å; I19-K153 HydrophobicContact CD1-CB 4.23Å; I19-I154 HydrophobicContact CD1-CG1 4.4Å; I19-V157 HydrophobicContact CD1-CG2 3.76Å; I19-V157 HydrophobicContact CG1-CG2 4.48Å; I19-V157 HydrophobicContact CG2-CG2 3.85Å; I19-L167 HydrophobicContact CG2-CB 4.25Å; I19-L167 HydrophobicContact CG2-CD1 4.32Å; I19-P168 CarbonylContact C-O 3.6Å; I19-P168 WeakPolarHBondContact CA-O 3.46Å; I19-I169 HydrophobicContact CG1-CG1 4.39Å; I19-I169 HydrophobicContact CG1-CG2 4.22Å
20	G	97.7	Very high	98.4	Very high	43 Å²	43	38.6 Å²	38.6	44%	0.443	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	28.5	-176.2	0	0	0	0	0	113.4	Q22 P168	G20-Q22 VanDerWaalsContact C-N 3.34Å; G20-P168 PolarHBondContact N-O 2.59Å
21	G	97.3	Very high	98.5	Very high	61 Å²	61	38.1 Å²	38.1	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	-4.5	-176.8	0	0	0	0	0	115.4	I19	I19-G21 PolarHBondContact O-N 3.32Å
22	Q	98.3	Very high	98.5	Very high	150 Å²	150	37.1 Å²	37.1	70%	0.701	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.5	175.7	-64.8	-172.5	-11.1	0	0	111.2	T18 I19 G20 V24	T18-Q22 CarbonylContact C-O 3.54Å; T18-Q22 WeakPolarHBondContact CA-O 3.33Å; T18-Q22 WeakPolarHBondContact CB-O 3.4Å; I19-Q22 PolarHBondContact N-O 2.96Å; I19-Q22 PolarHBondContact O-N 2.98Å; G20-Q22 VanDerWaalsContact C-N 3.34Å; Q22-V24 PolarHBondContact O-N 3.45Å
23	E	98.3	Very high	98.5	Very high	175 Å²	175	37 Å²	37	82%	0.818	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.1	174.6	-66.8	-176.9	170.2	0	0	111.1	T18	T18-E23 HydrophobicContact CG2-CG 3.95Å
24	V	98	Very high	98.5	Very high	26 Å²	26	41 Å²	41	16%	0.158	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-9.8	-178	-65.2	0	0	0	0	114.1	V17 I19 Q22 V150 K153	V17-V24 HydrophobicContact CB-CG2 3.85Å; V17-V24 HydrophobicContact CG1-CG2 3.76Å; V17-V24 VanDerWaalsContact O-CG2 3.28Å; V17-V24 WeakPolarHBondContact O-CG2 3.43Å; V17-V24 PolarHBondContact O-N 2.92Å; I19-V24 HydrophobicContact CB-CG1 3.94Å; I19-V24 HydrophobicContact CD1-CB 4.36Å; I19-V24 HydrophobicContact CD1-CG1 3.87Å; I19-V24 HydrophobicContact CD1-CG2 3.97Å; I19-V24 HydrophobicContact CG1-CB 4.43Å; I19-V24 HydrophobicContact CG1-CG1 3.81Å; I19-V24 HydrophobicContact CG1-CG2 3.85Å; Q22-V24 PolarHBondContact O-N 3.45Å; V24-V150 HydrophobicContact CG2-CG1 4.04Å; V24-K153 HydrophobicContact CB-CD 3.99Å; V24-K153 PolarHBondContact O-NZ 3.27Å
25	G	98.3	Very high	98.4	Very high	31 Å²	31	41.3 Å²	41.3	32%	0.32	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-178.2	171.9	0	0	0	0	0	113.5	V17	V17-G25 PolarHBondContact N-O 2.88Å
26	R	98.6	Very high	98.4	Very high	98 Å²	98	41.3 Å²	41.3	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.1	177	-176.3	170	-72.9	-164.8	-1.6	111.4	F14 F15 D16 K28 G147	F14-R26 HydrophobicContact CB-CG 4.01Å; F14-R26 HydrophobicContact CD2-CG 4.29Å; F14-R26 VanDerWaalsContact CD2-CZ 3.46Å; F15-R26 CarbonylContact O-C 3.42Å; F15-R26 VanDerWaalsContact O-CA 3.3Å; F15-R26 WeakPolarHBondContact O-CA 3.47Å; D16-R26 VanDerWaalsContact OD1-CB 3.32Å; D16-R26 WeakPolarHBondContact OD1-CB 3.26Å; D16-R26 WeakPolarHBondContact OD1-CG 3.32Å; D16-R26 IonicContact OD1-CZ 2.8Å; D16-R26 IonicContact OD1-NE 3.42Å; D16-R26 PolarHBondContact OD1-NE 3.2Å; D16-R26 IonicContact OD1-NH2 3.02Å; D16-R26 PolarHBondContact OD1-NH2 3.12Å; D16-R26 IonicContact OD2-CZ 3.25Å; D16-R26 IonicContact OD2-NE 3.57Å; D16-R26 IonicContact OD2-NH2 2.68Å; D16-R26 PolarHBondContact OD2-NH2 3.19Å; R26-K28 HydrophobicContact CG-CG 4.46Å; R26-G147 WeakPolarHBondContact O-CA 3.24Å
27	M	98.4	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.3	161.9	-65.4	-171.4	-59.9	0	0	109.2	F14 F15 V17 F65 I126 D146 V150 M151 I154	F14-M27 CarbonylContact C-O 3.37Å; F14-M27 WeakPolarHBondContact CA-O 3.44Å; F14-M27 WeakPolarHBondContact CB-O 3.44Å; F15-M27 HydrophobicContact CB-CE 4.43Å; F15-M27 HydrophobicContact CD2-CE 4.18Å; F15-M27 PolarHBondContact N-O 2.86Å; F15-M27 PolarHBondContact O-N 3.37Å; V17-M27 HydrophobicContact CG2-CE 3.98Å; M27-F65 HydrophobicContact CE-CZ 4.06Å; M27-I126 HydrophobicContact CE-CD1 4.11Å; M27-I126 HydrophobicContact SD-CD1 4.47Å; M27-D146 WeakPolarHBondContact CA-O 3.37Å; M27-V150 HydrophobicContact CG-CB 3.62Å; M27-V150 HydrophobicContact CG-CG1 3.76Å; M27-V150 HydrophobicContact CG-CG2 4.41Å; M27-V150 HydrophobicContact SD-CB 4.23Å; M27-V150 HydrophobicContact SD-CG1 4.18Å; M27-M151 HydrophobicContact SD-CB 3.77Å; M27-I154 HydrophobicContact CE-CD1 3.97Å; M27-I154 HydrophobicContact SD-CD1 4.34Å
28	K	98.6	Very high	98.4	Very high	60 Å²	60	49 Å²	49	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.7	168.2	-56.7	177	-171	143	0	109.1	I12 V13 F14 R26 V144 V145 D146 M177	I12-K28 HydrophobicContact CG2-CB 4.14Å; V13-K28 CarbonylContact O-C 3.32Å; V13-K28 WeakPolarHBondContact O-CA 3.5Å; F14-K28 HydrophobicContact CB-CG 4.48Å; R26-K28 HydrophobicContact CG-CG 4.46Å; K28-V144 WeakPolarHBondContact O-CA 3.33Å; K28-V145 HydrophobicContact CB-CG2 3.9Å; K28-V145 WeakPolarHBondContact O-CG2 3.35Å; K28-V145 PolarHBondContact O-N 3Å; K28-D146 HydrophobicContact CB-CB 3.91Å; K28-D146 HydrophobicContact CD-CB 3.86Å; K28-D146 WeakPolarHBondContact CE-OD2 3.29Å; K28-D146 HydrophobicContact CG-CB 4.02Å; K28-D146 PolarHBondContact N-O 3.25Å; K28-D146 IonicContact NZ-OD2 2.83Å; K28-D146 PolarHBondContact NZ-OD2 3.16Å; K28-D146 PolarHBondContact O-N 2.97Å; K28-M177 HydrophobicContact CD-SD 4.49Å
29	V	98.6	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.2	-171.4	-170.1	0	0	0	0	108.8	I12 V13 L31 L110 K143 V144	I12-V29 WeakPolarHBondContact CA-O 3.43Å; V13-V29 HydrophobicContact CG2-CB 4.06Å; V13-V29 PolarHBondContact N-O 3.04Å; V13-V29 PolarHBondContact O-N 2.99Å; V29-L31 HydrophobicContact CG1-CD2 4.36Å; V29-L110 HydrophobicContact CG1-CB 4.26Å; V29-L110 HydrophobicContact CG1-CD2 3.78Å; V29-K143 CarbonylContact C-O 3.51Å; V29-K143 WeakPolarHBondContact CA-O 3.3Å; V29-K143 WeakPolarHBondContact CG1-O 3.41Å; V29-V144 HydrophobicContact CG2-CG2 4.39Å
30	E	98.7	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.2	167.5	179.5	-172.4	171.3	0	0	109.3	P5 S6 N7 N10 I12 F32 G142 K143 V145	P5-E30 WeakPolarHBondContact CA-OE2 3.48Å; P5-E30 HydrophobicContact CB-CG 4.49Å; S6-E30 WeakPolarHBondContact CB-OE1 3.38Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 3.34Å; S6-E30 PolarHBondContact N-OE2 3.12Å; S6-E30 PolarHBondContact OG-OE1 2.83Å; S6-E30 PolarHBondContact OG-OE2 2.81Å; N7-E30 PolarHBondContact N-OE1 3.18Å; N10-E30 HydrophobicContact CB-CG 3.77Å; N10-E30 PolarHBondContact ND2-OE1 3.13Å; I12-E30 HydrophobicContact CD1-CB 3.59Å; I12-E30 HydrophobicContact CD1-CG 3.9Å; E30-F32 HydrophobicContact CG-CD1 4.27Å; E30-F32 HydrophobicContact CG-CE1 4.3Å; E30-G142 CarbonylContact O-C 3.48Å; E30-G142 WeakPolarHBondContact O-CA 3.31Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 2.88Å; E30-K143 PolarHBondContact O-N 2.65Å; E30-K143 WeakPolarHBondContact OE2-CE 3.5Å; E30-K143 IonicContact OE2-NZ 2.73Å; E30-V145 HydrophobicContact CB-CG1 3.78Å
31	L	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	172.2	-52.6	-178.2	0	0	0	109.2	N10 P11 V13 V29 A33 A40 F43 R44 L110 F141	N10-L31 WeakPolarHBondContact CB-O 3.38Å; P11-L31 HydrophobicContact CB-CB 4.43Å; P11-L31 HydrophobicContact CB-CD1 4.39Å; P11-L31 PolarHBondContact O-N 3.47Å; V13-L31 HydrophobicContact CG1-CD1 3.75Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.1Å; V13-L31 HydrophobicContact CG2-CD2 3.97Å; V13-L31 HydrophobicContact CG2-CG 4.06Å; V29-L31 HydrophobicContact CG1-CD2 4.36Å; L31-A33 PolarHBondContact O-N 3.35Å; L31-A40 HydrophobicContact CB-CB 3.94Å; L31-F43 HydrophobicContact CD1-CB 4.45Å; L31-F43 HydrophobicContact CD1-CD1 4.07Å; L31-F43 HydrophobicContact CD2-CD1 3.61Å; L31-F43 HydrophobicContact CD2-CE1 4.09Å; L31-F43 HydrophobicContact CD2-CG 4.35Å; L31-R44 HydrophobicContact CD1-CB 3.76Å; L31-R44 HydrophobicContact CD1-CG 4.33Å; L31-L110 HydrophobicContact CD2-CD2 3.87Å; L31-F141 HydrophobicContact CD2-CD2 4.33Å; L31-F141 HydrophobicContact CD2-CE2 4.21Å
32	F	98.7	Very high	98.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.018	23%	0.23	C	C	.	.			trans	-77.9	60.8	-176.5	-56	-33.8	0	0	0	111.9	S6 E30 D34 V35 V36 M102 V140 F141 G142 K143	S6-F32 WeakPolarHBondContact OG-CE1 3.03Å; E30-F32 HydrophobicContact CG-CD1 4.27Å; E30-F32 HydrophobicContact CG-CE1 4.3Å; F32-D34 PolarHBondContact O-N 2.94Å; F32-V35 HydrophobicContact CB-CB 4.19Å; F32-V35 HydrophobicContact CB-CG2 4.37Å; F32-V35 PolarHBondContact O-N 2.98Å; F32-V36 HydrophobicContact CB-CG2 4.17Å; F32-V36 WeakPolarHBondContact O-CG2 3.45Å; F32-V36 PolarHBondContact O-N 3.22Å; F32-M102 HydrophobicContact CD2-CE 4.13Å; F32-M102 HydrophobicContact CD2-CG 4.15Å; F32-M102 HydrophobicContact CE2-CE 3.76Å; F32-M102 HydrophobicContact CE2-CG 4.47Å; F32-M102 HydrophobicContact CZ-CE 4.21Å; F32-V140 HydrophobicContact CE2-CG1 4.15Å; F32-F141 VanDerWaalsContact CD2-C 3.44Å; F32-F141 PolarHBondContact N-O 3.24Å; F32-G142 VanDerWaalsContact CD2-N 3.3Å; F32-G142 VanDerWaalsContact CE2-C 3.46Å; F32-G142 VanDerWaalsContact CE2-CA 3.48Å; F32-G142 WeakPolarHBondContact CE2-O 3.32Å; F32-K143 HydrophobicContact CE1-CB 4.42Å; F32-K143 HydrophobicContact CE1-CD 4.15Å; F32-K143 HydrophobicContact CE1-CG 3.88Å; F32-K143 HydrophobicContact CZ-CB 3.85Å; F32-K143 HydrophobicContact CZ-CD 4.03Å; F32-K143 HydrophobicContact CZ-CG 3.78Å
33	A	98.6	Very high	98.6	Very high	30 Å²	30	38.1 Å²	38.1	25%	0.248	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.6	-178.8	0	0	0	0	0	112.6	N10 P11 L31 V35 P37 A40	N10-A33 PolarHBondContact OD1-N 2.89Å; P11-A33 HydrophobicContact CG-CB 4.12Å; L31-A33 PolarHBondContact O-N 3.35Å; A33-V35 VanDerWaalsContact C-N 3.29Å; A33-V35 PolarHBondContact O-N 3.3Å; A33-P37 WeakPolarHBondContact O-CA 3.03Å; A33-P37 VanDerWaalsContact O-CB 3.32Å; A33-P37 WeakPolarHBondContact O-CB 3.15Å; A33-P37 WeakPolarHBondContact O-CD 3.46Å; A33-A40 HydrophobicContact CB-CB 3.99Å
34	D	98.4	Very high	98.6	Very high	84 Å²	84	30.9 Å²	30.9	45%	0.449	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.1	171.8	63.3	-28	0	0	0	114.4	N7 N10 F32	N7-D34 PolarHBondContact ND2-OD2 3.1Å; N10-D34 PolarHBondContact ND2-OD1 2.7Å; N10-D34 PolarHBondContact OD1-N 3.25Å; N10-D34 PolarHBondContact OD1-OD1 3.5Å; N10-D34 VanDerWaalsContact OD1-OD1 3.11Å; F32-D34 PolarHBondContact O-N 2.94Å
35	V	98.4	Very high	98.7	Very high	30 Å²	30	31.3 Å²	31.3	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-39.8	-179	-174.1	0	0	0	0	112.7	F32 A33 N99 R101 M102	F32-V35 HydrophobicContact CB-CB 4.19Å; F32-V35 HydrophobicContact CB-CG2 4.37Å; F32-V35 PolarHBondContact O-N 2.98Å; A33-V35 VanDerWaalsContact C-N 3.29Å; A33-V35 PolarHBondContact O-N 3.3Å; V35-N99 PolarHBondContact O-ND2 3.44Å; V35-R101 HydrophobicContact CG1-CB 4.23Å; V35-M102 HydrophobicContact CG1-CG 4.09Å
36	V	98.6	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.			trans	-137.7	64.9	-175.3	-74.7	0	0	0	0	110.5	F32 K38 T39 A40 E98 N99 V139 F141	F32-V36 HydrophobicContact CB-CG2 4.17Å; F32-V36 WeakPolarHBondContact O-CG2 3.45Å; F32-V36 PolarHBondContact O-N 3.22Å; V36-K38 VanDerWaalsContact C-N 3.28Å; V36-K38 PolarHBondContact O-N 3.3Å; V36-T39 PolarHBondContact O-N 2.87Å; V36-A40 VanDerWaalsContact O-CB 3.28Å; V36-A40 WeakPolarHBondContact O-CB 3.22Å; V36-A40 PolarHBondContact O-N 3.28Å; V36-E98 VanDerWaalsContact C-CD 3.49Å; V36-E98 VanDerWaalsContact CA-CD 3.44Å; V36-E98 VanDerWaalsContact CA-OE2 3.24Å; V36-E98 WeakPolarHBondContact CA-OE2 3.47Å; V36-E98 HydrophobicContact CB-CG 4.4Å; V36-E98 VanDerWaalsContact CB-OE2 3.29Å; V36-E98 WeakPolarHBondContact CB-OE2 3.3Å; V36-E98 HydrophobicContact CG1-CB 4.25Å; V36-E98 HydrophobicContact CG1-CG 4.21Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.27Å; V36-V139 HydrophobicContact CG1-CG1 3.9Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å
37	P	98.7	Very high	98.7	Very high	69 Å²	69	25.3 Å²	25.3	45%	0.448	13%	0.131	S	C	.	.	H	α-helix	trans	-56.8	-36.1	-174.3	20.4	-32.8	0	0	0	113.7	A33 E41 E98	A33-P37 WeakPolarHBondContact O-CA 3.03Å; A33-P37 VanDerWaalsContact O-CB 3.32Å; A33-P37 WeakPolarHBondContact O-CB 3.15Å; A33-P37 WeakPolarHBondContact O-CD 3.46Å; P37-E41 WeakPolarHBondContact O-CB 3.5Å; P37-E41 PolarHBondContact O-N 2.88Å; P37-E98 WeakPolarHBondContact CD-OE1 2.93Å; P37-E98 WeakPolarHBondContact CG-OE1 3.35Å
38	K	98.8	Very high	98.7	Very high	130 Å²	130	27.5 Å²	27.5	57%	0.565	14%	0.144	S	C	*	.	H	α-helix	trans	-70.7	-45.4	-179.8	-61.3	176.1	-179.6	178.1	0	111.3	V36 E41 N42 Y91 E98	V36-K38 VanDerWaalsContact C-N 3.28Å; V36-K38 PolarHBondContact O-N 3.3Å; K38-E41 PolarHBondContact O-N 3.01Å; K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.83Å; K38-Y91 WeakPolarHBondContact CA-OH 3.34Å; K38-Y91 HydrophobicContact CB-CE2 4.23Å; K38-Y91 WeakPolarHBondContact CB-OH 3.14Å; K38-Y91 PolarHBondContact O-OH 2.92Å; K38-E98 WeakPolarHBondContact CB-OE1 3.42Å; K38-E98 WeakPolarHBondContact CB-OE2 3.47Å; K38-E98 WeakPolarHBondContact CG-OE1 3.49Å; K38-E98 PolarHBondContact N-OE1 3.2Å; K38-E98 PolarHBondContact N-OE2 3.41Å; K38-E98 VanDerWaalsContact N-OE2 3.15Å
39	T	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-43	-179.6	-47.5	0	0	0	0	110.7	V36 F43 F95 E98 M112 V139 F141	V36-T39 PolarHBondContact O-N 2.87Å; T39-F43 PolarHBondContact O-N 3.47Å; T39-F95 HydrophobicContact CG2-CE2 4.46Å; T39-F95 HydrophobicContact CG2-CZ 4.32Å; T39-E98 WeakPolarHBondContact CB-OE2 3.38Å; T39-E98 PolarHBondContact N-OE2 2.93Å; T39-E98 PolarHBondContact OG1-OE2 2.8Å; T39-M112 HydrophobicContact CG2-CG 3.49Å; T39-M112 VanDerWaalsContact CG2-CG 3.49Å; T39-M112 HydrophobicContact CG2-SD 3.75Å; T39-V139 HydrophobicContact CG2-CG1 4.21Å; T39-F141 HydrophobicContact CG2-CB 3.68Å; T39-F141 HydrophobicContact CG2-CD1 3.81Å; T39-F141 HydrophobicContact CG2-CD2 4.16Å; T39-F141 HydrophobicContact CG2-CE1 4.46Å; T39-F141 HydrophobicContact CG2-CG 3.63Å
40	A	98.8	Very high	98.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-47.6	175	0	0	0	0	0	111.8	L31 A33 V36 N42 F43 R44	L31-A40 HydrophobicContact CB-CB 3.94Å; A33-A40 HydrophobicContact CB-CB 3.99Å; V36-A40 VanDerWaalsContact O-CB 3.28Å; V36-A40 WeakPolarHBondContact O-CB 3.22Å; V36-A40 PolarHBondContact O-N 3.28Å; A40-N42 PolarHBondContact O-N 3.01Å; A40-F43 PolarHBondContact O-N 3.06Å; A40-R44 WeakPolarHBondContact O-CB 3.3Å; A40-R44 PolarHBondContact O-N 3Å
41	E	98.8	Very high	98.6	Very high	60 Å²	60	32.6 Å²	32.6	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-39.4	-178.9	-178.3	57.4	-165	0	0	112.6	P37 K38 F43 R44 Q45 I90	P37-E41 WeakPolarHBondContact O-CB 3.5Å; P37-E41 PolarHBondContact O-N 2.88Å; K38-E41 PolarHBondContact O-N 3.01Å; E41-F43 VanDerWaalsContact C-N 3.29Å; E41-F43 PolarHBondContact O-N 2.8Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-R44 IonicContact OE1-CZ 3.63Å; E41-R44 IonicContact OE1-NE 3.69Å; E41-R44 IonicContact OE1-NH2 2.78Å; E41-R44 PolarHBondContact OE1-NH2 3.38Å; E41-R44 IonicContact OE2-CZ 3.28Å; E41-R44 IonicContact OE2-NE 3.66Å; E41-R44 PolarHBondContact OE2-NE 2.8Å; E41-R44 IonicContact OE2-NH2 3.86Å; E41-Q45 WeakPolarHBondContact O-CG 3.36Å; E41-Q45 PolarHBondContact O-N 2.94Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.5Å; E41-Q45 PolarHBondContact OE1-NE2 3.23Å; E41-I90 HydrophobicContact CG-CD1 3.98Å
42	N	98.8	Very high	98.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-46.6	172.4	175.1	73.7	0	0	0	111.6	K38 A40 F46 S89 I90 Y91 F95 G121	K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.83Å; A40-N42 PolarHBondContact O-N 3.01Å; N42-F46 WeakPolarHBondContact O-CD2 3.43Å; N42-F46 PolarHBondContact O-N 2.73Å; N42-F46 VanDerWaalsContact OD1-CE2 3.25Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.43Å; N42-S89 VanDerWaalsContact OD1-CA 3.3Å; N42-S89 WeakPolarHBondContact OD1-CA 3.42Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.21Å; N42-I90 HydrophobicContact CB-CD1 4.3Å; N42-I90 HydrophobicContact CB-CG1 4.08Å; N42-I90 PolarHBondContact OD1-N 3.17Å; N42-Y91 HydrophobicContact CB-CE2 4.06Å; N42-F95 HydrophobicContact CB-CZ 4.43Å; N42-G121 PolarHBondContact ND2-O 3.22Å
43	F	98.9	Very high	98.2	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-42	-180	-165	-92.4	0	0	0	112.8	V13 F15 L31 T39 A40 E41 Q45 F46 C47 F60 L110 F124 F141	V13-F43 HydrophobicContact CG2-CD1 4.16Å; V13-F43 HydrophobicContact CG2-CE1 3.9Å; F15-F43 HydrophobicContact CE2-CE1 4.25Å; F15-F43 AromaticContact CE2-CZ 3.8Å; F15-F43 HydrophobicContact CE2-CZ 3.8Å; F15-F43 AromaticContact CZ-CE1 3.68Å; F15-F43 HydrophobicContact CZ-CE1 3.68Å; F15-F43 HydrophobicContact CZ-CE2 4.45Å; F15-F43 AromaticContact CZ-CZ 3.41Å; F15-F43 HydrophobicContact CZ-CZ 3.41Å; F15-F43 VanDerWaalsContact CZ-CZ 3.41Å; L31-F43 HydrophobicContact CD1-CB 4.45Å; L31-F43 HydrophobicContact CD1-CD1 4.07Å; L31-F43 HydrophobicContact CD2-CD1 3.61Å; L31-F43 HydrophobicContact CD2-CE1 4.09Å; L31-F43 HydrophobicContact CD2-CG 4.35Å; T39-F43 PolarHBondContact O-N 3.47Å; A40-F43 PolarHBondContact O-N 3.06Å; E41-F43 VanDerWaalsContact C-N 3.29Å; E41-F43 PolarHBondContact O-N 2.8Å; F43-Q45 PolarHBondContact O-N 2.92Å; F43-F46 PolarHBondContact O-N 2.83Å; F43-C47 VanDerWaalsContact CD1-SG 3.59Å; F43-C47 VanDerWaalsContact CE1-SG 3.51Å; F43-C47 PolarHBondContact O-N 2.94Å; F43-C47 PolarHBondContact O-SG 3.24Å; F43-F60 HydrophobicContact CD1-CE2 4.15Å; F43-F60 AromaticContact CD2-CE2 3.54Å; F43-F60 HydrophobicContact CD2-CE2 3.54Å; F43-F60 AromaticContact CD2-CZ 3.66Å; F43-F60 HydrophobicContact CD2-CZ 3.66Å; F43-F60 HydrophobicContact CE1-CE2 4.13Å; F43-F60 HydrophobicContact CE2-CD2 4.47Å; F43-F60 AromaticContact CE2-CE2 3.52Å; F43-F60 HydrophobicContact CE2-CE2 3.52Å; F43-F60 AromaticContact CE2-CZ 3.68Å; F43-F60 HydrophobicContact CE2-CZ 3.68Å; F43-F60 AromaticContact CG-CE2 3.89Å; F43-F60 HydrophobicContact CG-CE2 3.89Å; F43-F60 HydrophobicContact CG-CZ 4.39Å; F43-F60 HydrophobicContact CZ-CD2 4.44Å; F43-F60 AromaticContact CZ-CE2 3.85Å; F43-F60 HydrophobicContact CZ-CE2 3.85Å; F43-F60 HydrophobicContact CZ-CZ 4.42Å; F43-L110 HydrophobicContact CD1-CD2 4.17Å; F43-L110 HydrophobicContact CD2-CD2 4.37Å; F43-L110 HydrophobicContact CE1-CD2 3.74Å; F43-L110 HydrophobicContact CE2-CD1 4.25Å; F43-L110 HydrophobicContact CE2-CD2 3.96Å; F43-L110 HydrophobicContact CG-CD2 4.44Å; F43-L110 HydrophobicContact CZ-CD1 4.08Å; F43-L110 HydrophobicContact CZ-CD2 3.6Å; F43-L110 HydrophobicContact CZ-CG 4.46Å; F43-F124 HydrophobicContact CD2-CD1 4.46Å; F43-F124 HydrophobicContact CE2-CB 3.95Å; F43-F124 AromaticContact CE2-CD1 3.45Å; F43-F124 HydrophobicContact CE2-CD1 3.45Å; F43-F124 VanDerWaalsContact CE2-CD1 3.45Å; F43-F124 HydrophobicContact CE2-CD2 4.21Å; F43-F124 AromaticContact CE2-CE1 3.88Å; F43-F124 HydrophobicContact CE2-CE1 3.88Å; F43-F124 AromaticContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CZ 4.43Å; F43-F124 HydrophobicContact CZ-CD1 4.13Å; F43-F124 HydrophobicContact CZ-CD2 4.44Å; F43-F124 HydrophobicContact CZ-CE1 4.14Å; F43-F124 HydrophobicContact CZ-CE2 4.46Å; F43-F124 HydrophobicContact CZ-CG 4.25Å; F43-F124 HydrophobicContact CZ-CZ 4.31Å; F43-F141 HydrophobicContact CB-CD2 4.36Å; F43-F141 HydrophobicContact CB-CE2 3.54Å; F43-F141 HydrophobicContact CB-CZ 4.23Å; F43-F141 HydrophobicContact CD1-CE2 4.07Å; F43-F141 AromaticContact CD2-CE2 3.46Å; F43-F141 HydrophobicContact CD2-CE2 3.46Å; F43-F141 VanDerWaalsContact CD2-CE2 3.46Å; F43-F141 AromaticContact CD2-CZ 3.38Å; F43-F141 HydrophobicContact CD2-CZ 3.38Å; F43-F141 HydrophobicContact CE2-CE2 4.06Å; F43-F141 AromaticContact CE2-CZ 3.74Å; F43-F141 HydrophobicContact CE2-CZ 3.74Å; F43-F141 AromaticContact CG-CE2 3.43Å; F43-F141 HydrophobicContact CG-CE2 3.43Å; F43-F141 VanDerWaalsContact CG-CE2 3.43Å; F43-F141 AromaticContact CG-CZ 3.89Å; F43-F141 HydrophobicContact CG-CZ 3.89Å
44	R	98.8	Very high	97.9	Very high	23 Å²	23	51.8 Å²	51.8	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-48.4	178.9	-167.1	-162.4	67.9	72.9	6.1	111	P11 V13 L31 A40 E41 F46 C47 T48 E50 E176	P11-R44 HydrophobicContact CB-CG 4.46Å; V13-R44 HydrophobicContact CG1-CG 4.08Å; L31-R44 HydrophobicContact CD1-CB 3.76Å; L31-R44 HydrophobicContact CD1-CG 4.33Å; A40-R44 WeakPolarHBondContact O-CB 3.3Å; A40-R44 PolarHBondContact O-N 3Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-R44 IonicContact OE1-CZ 3.63Å; E41-R44 IonicContact OE1-NE 3.69Å; E41-R44 IonicContact OE1-NH2 2.78Å; E41-R44 PolarHBondContact OE1-NH2 3.38Å; E41-R44 IonicContact OE2-CZ 3.28Å; E41-R44 IonicContact OE2-NE 3.66Å; E41-R44 PolarHBondContact OE2-NE 2.8Å; E41-R44 IonicContact OE2-NH2 3.86Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.28Å; R44-C47 WeakPolarHBondContact O-CA 3.28Å; R44-C47 VanDerWaalsContact O-CB 3.32Å; R44-C47 WeakPolarHBondContact O-CB 3.47Å; R44-C47 PolarHBondContact O-N 2.86Å; R44-T48 PolarHBondContact O-N 2.76Å; R44-T48 PolarHBondContact O-OG1 3.37Å; R44-E50 IonicContact CZ-OE1 3.56Å; R44-E50 IonicContact CZ-OE2 2.71Å; R44-E50 IonicContact NH1-OE1 3.86Å; R44-E50 PolarHBondContact NH1-OE1 2.68Å; R44-E50 IonicContact NH1-OE2 2.8Å; R44-E50 PolarHBondContact NH1-OE2 3.02Å; R44-E50 IonicContact NH2-OE1 3.71Å; R44-E50 IonicContact NH2-OE2 3.58Å; R44-E50 PolarHBondContact NH2-OE2 3.3Å; R44-E176 VanDerWaalsContact CD-OE2 3.28Å; R44-E176 WeakPolarHBondContact CD-OE2 3.21Å; R44-E176 IonicContact CZ-OE2 2.87Å; R44-E176 IonicContact NE-OE2 3.63Å; R44-E176 IonicContact NH1-OE2 2.84Å; R44-E176 PolarHBondContact NH1-OE2 2.77Å
45	Q	98.8	Very high	97.7	Very high	36 Å²	36	50.2 Å²	50.2	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-34.1	179	-72.2	-165.7	27.2	0	0	113.3	E41 F43 C47 T48 G49 E50 F51 I90	E41-Q45 WeakPolarHBondContact O-CG 3.36Å; E41-Q45 PolarHBondContact O-N 2.94Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.5Å; E41-Q45 PolarHBondContact OE1-NE2 3.23Å; F43-Q45 PolarHBondContact O-N 2.92Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; Q45-T48 PolarHBondContact O-N 2.99Å; Q45-T48 PolarHBondContact O-OG1 2.88Å; Q45-G49 WeakPolarHBondContact O-CA 2.95Å; Q45-G49 PolarHBondContact O-N 2.8Å; Q45-E50 HydrophobicContact CG-CB 4.43Å; Q45-E50 PolarHBondContact O-N 2.87Å; Q45-F51 HydrophobicContact CB-CB 4.22Å; Q45-I90 HydrophobicContact CB-CG2 3.9Å; Q45-I90 HydrophobicContact CG-CD1 4.46Å
46	F	98.8	Very high	97.5	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-22.4	172.7	-67.6	-36.8	0	0	0	113.3	N42 F43 R44 F51 I58 G59 F60 F79 I90 C122	N42-F46 WeakPolarHBondContact O-CD2 3.43Å; N42-F46 PolarHBondContact O-N 2.73Å; N42-F46 VanDerWaalsContact OD1-CE2 3.25Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.43Å; F43-F46 PolarHBondContact O-N 2.83Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.28Å; F46-F51 HydrophobicContact CE1-CB 4.39Å; F46-F51 AromaticContact CE1-CD1 3.98Å; F46-F51 HydrophobicContact CE1-CD1 3.98Å; F46-F51 HydrophobicContact CE1-CG 4.37Å; F46-I58 HydrophobicContact CE1-CD1 4.3Å; F46-I58 HydrophobicContact CE1-CG1 4.32Å; F46-G59 CarbonylContact O-C 3.58Å; F46-G59 WeakPolarHBondContact O-CA 3.21Å; F46-F60 HydrophobicContact CB-CD1 4.4Å; F46-F60 HydrophobicContact CB-CD2 3.71Å; F46-F60 HydrophobicContact CB-CE1 4.11Å; F46-F60 HydrophobicContact CB-CE2 3.4Å; F46-F60 VanDerWaalsContact CB-CE2 3.4Å; F46-F60 HydrophobicContact CB-CG 4.21Å; F46-F60 HydrophobicContact CB-CZ 3.62Å; F46-F60 HydrophobicContact CD2-CE1 4.47Å; F46-F60 AromaticContact CD2-CZ 4Å; F46-F60 HydrophobicContact CD2-CZ 4Å; F46-F60 HydrophobicContact CG-CE2 4.46Å; F46-F60 HydrophobicContact CG-CZ 4.26Å; F46-F60 PolarHBondContact O-N 2.71Å; F46-F79 HydrophobicContact CB-CE1 4.31Å; F46-F79 AromaticContact CD1-CE1 3.9Å; F46-F79 HydrophobicContact CD1-CE1 3.9Å; F46-F79 AromaticContact CD1-CZ 3.77Å; F46-F79 HydrophobicContact CD1-CZ 3.77Å; F46-F79 AromaticContact CD2-CE1 3.95Å; F46-F79 HydrophobicContact CD2-CE1 3.95Å; F46-F79 HydrophobicContact CD2-CZ 4.18Å; F46-F79 HydrophobicContact CE1-CE1 4.16Å; F46-F79 AromaticContact CE1-CZ 3.58Å; F46-F79 HydrophobicContact CE1-CZ 3.58Å; F46-F79 HydrophobicContact CE2-CE1 4.19Å; F46-F79 AromaticContact CE2-CZ 3.99Å; F46-F79 HydrophobicContact CE2-CZ 3.99Å; F46-F79 AromaticContact CG-CE1 3.8Å; F46-F79 HydrophobicContact CG-CE1 3.8Å; F46-F79 HydrophobicContact CG-CZ 4.08Å; F46-F79 HydrophobicContact CZ-CE1 4.29Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; F46-I90 HydrophobicContact CE1-CG2 4Å; F46-I90 HydrophobicContact CE2-CG2 4.46Å; F46-I90 HydrophobicContact CZ-CG2 3.98Å; F46-C122 HydrophobicContact CD2-CB 4.27Å; F46-C122 HydrophobicContact CE2-CB 3.91Å
47	C	98.8	Very high	97.4	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-72.9	-41.9	169	-63.4	0	0	0	0	111.4	V13 F43 R44 Q45 C174 G175	V13-C47 HydrophobicContact CB-CB 4.04Å; V13-C47 HydrophobicContact CG1-CB 3.95Å; F43-C47 VanDerWaalsContact CD1-SG 3.59Å; F43-C47 VanDerWaalsContact CE1-SG 3.51Å; F43-C47 PolarHBondContact O-N 2.94Å; F43-C47 PolarHBondContact O-SG 3.24Å; R44-C47 WeakPolarHBondContact O-CA 3.28Å; R44-C47 VanDerWaalsContact O-CB 3.32Å; R44-C47 WeakPolarHBondContact O-CB 3.47Å; R44-C47 PolarHBondContact O-N 2.86Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; C47-C174 CarbonylContact O-C 3.25Å; C47-C174 VanDerWaalsContact O-C 3.32Å; C47-C174 PolarHBondContact O-SG 2.96Å; C47-G175 WeakPolarHBondContact O-CA 3.46Å; C47-G175 PolarHBondContact O-N 3.31Å
48	T	98.7	Very high	97.3	Very high	46 Å²	46	55 Å²	55	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-85.3	-23	-175.4	60	0	0	0	0	113.9	R44 Q45 E50 E176	R44-T48 PolarHBondContact O-N 2.76Å; R44-T48 PolarHBondContact O-OG1 3.37Å; Q45-T48 PolarHBondContact O-N 2.99Å; Q45-T48 PolarHBondContact O-OG1 2.88Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 VanDerWaalsContact OG1-CG 3.31Å; T48-E50 WeakPolarHBondContact OG1-CG 3.38Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.92Å; T48-E176 HydrophobicContact CG2-CB 3.75Å
49	G	97.6	Very high	97.2	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	18.7	-172.3	0	0	0	0	0	113.4	Q45 F51 P57	Q45-G49 WeakPolarHBondContact O-CA 2.95Å; Q45-G49 PolarHBondContact O-N 2.8Å; G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 2.88Å; G49-P57 WeakPolarHBondContact O-CB 3.46Å
50	E	98.1	Very high	97.2	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	26%	0.264	S	S	.	.			trans	-63.4	-35.5	173.5	-79	168.9	-146.9	0	0	111.9	R44 Q45 T48 R52	R44-E50 IonicContact CZ-OE1 3.56Å; R44-E50 IonicContact CZ-OE2 2.71Å; R44-E50 IonicContact NH1-OE1 3.86Å; R44-E50 PolarHBondContact NH1-OE1 2.68Å; R44-E50 IonicContact NH1-OE2 2.8Å; R44-E50 PolarHBondContact NH1-OE2 3.02Å; R44-E50 IonicContact NH2-OE1 3.71Å; R44-E50 IonicContact NH2-OE2 3.58Å; R44-E50 PolarHBondContact NH2-OE2 3.3Å; Q45-E50 HydrophobicContact CG-CB 4.43Å; Q45-E50 PolarHBondContact O-N 2.87Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 VanDerWaalsContact OG1-CG 3.31Å; T48-E50 WeakPolarHBondContact OG1-CG 3.38Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.92Å; E50-R52 PolarHBondContact O-N 2.77Å
51	F	97.6	Very high	97.2	Very high	43 Å²	43	55.7 Å²	55.7	19%	0.189	29%	0.292	C	S	.	.	S	Bend	trans	-71.8	127.8	174.5	-170.7	-97.2	0	0	0	110.5	Q45 F46 G49 I58 I90	Q45-F51 HydrophobicContact CB-CB 4.22Å; F46-F51 HydrophobicContact CE1-CB 4.39Å; F46-F51 AromaticContact CE1-CD1 3.98Å; F46-F51 HydrophobicContact CE1-CD1 3.98Å; F46-F51 HydrophobicContact CE1-CG 4.37Å; G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 2.88Å; F51-I58 HydrophobicContact CD1-CD1 3.65Å; F51-I58 HydrophobicContact CD1-CG1 3.6Å; F51-I58 HydrophobicContact CE1-CD1 3.73Å; F51-I58 HydrophobicContact CE1-CG1 4.18Å; F51-I58 PolarHBondContact O-N 3.12Å; F51-I58 VanDerWaalsContact O-N 3.07Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD1-CG2 4.49Å; F51-I90 HydrophobicContact CD2-CB 3.68Å; F51-I90 HydrophobicContact CD2-CG2 3.69Å; F51-I90 HydrophobicContact CE2-CB 3.98Å; F51-I90 HydrophobicContact CE2-CG2 4.37Å; F51-I90 WeakPolarHBondContact CE2-O 3.46Å; F51-I90 HydrophobicContact CG-CB 4.26Å; F51-I90 HydrophobicContact CG-CG2 3.75Å
52	R	96.8	Very high	97.2	Very high	159 Å²	159	55.1 Å²	55.1	60%	0.6	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	138	-179.5	-63.3	-175	176	-155.5	4.8	111.1	E50 G55 V56 P57	E50-R52 PolarHBondContact O-N 2.77Å; R52-G55 PolarHBondContact NH1-O 2.83Å; R52-V56 CarbonylContact C-O 3.48Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.3Å; R52-P57 HydrophobicContact CG-CG 4.42Å
53	K	92.1	Very high	97.1	Very high	126 Å²	126	55.4 Å²	55.4	55%	0.548	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	168.7	-173.9	177.2	178	-175.2	0	108.2	G55 V56 I58	K53-G55 PolarHBondContact O-N 2.81Å; K53-V56 PolarHBondContact N-O 3.41Å; K53-V56 PolarHBondContact O-N 2.86Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.46Å; K53-I58 HydrophobicContact CB-CG2 4.1Å
54	D	92.6	Very high	97	Very high	153 Å²	153	57.1 Å²	57.1	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.8	-177.1	-51.8	-44.5	0	0	0	113.1	V56	D54-V56 PolarHBondContact O-N 3Å
55	G	93.6	Very high	97	Very high	51 Å²	51	56.2 Å²	56.2	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-7.3	-179.1	0	0	0	0	0	115.2	R52 K53	R52-G55 PolarHBondContact NH1-O 2.83Å; K53-G55 PolarHBondContact O-N 2.81Å
56	V	94.7	Very high	97	Very high	91 Å²	91	55.4 Å²	55.4	55%	0.552	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.8	-178.5	-175.2	0	0	0	0	110.3	R52 K53 D54 I58	R52-V56 CarbonylContact C-O 3.48Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.3Å; K53-V56 PolarHBondContact N-O 3.41Å; K53-V56 PolarHBondContact O-N 2.86Å; D54-V56 PolarHBondContact O-N 3Å; V56-I58 PolarHBondContact O-N 3.46Å
57	P	96.3	Very high	97	Very high	71 Å²	71	60 Å²	60	46%	0.461	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	130.1	169.3	-27.2	36.8	0	0	0	111.6	G49 R52	G49-P57 WeakPolarHBondContact O-CB 3.46Å; R52-P57 HydrophobicContact CG-CG 4.42Å
58	I	96.6	Very high	97	Very high	36 Å²	36	60 Å²	60	19%	0.185	32%	0.324	C	S	.	.			trans	-122.4	148.4	172.3	65	167.8	0	0	0	110	F46 F51 K53 V56 F79	F46-I58 HydrophobicContact CE1-CD1 4.3Å; F46-I58 HydrophobicContact CE1-CG1 4.32Å; F51-I58 HydrophobicContact CD1-CD1 3.65Å; F51-I58 HydrophobicContact CD1-CG1 3.6Å; F51-I58 HydrophobicContact CE1-CD1 3.73Å; F51-I58 HydrophobicContact CE1-CG1 4.18Å; F51-I58 PolarHBondContact O-N 3.12Å; F51-I58 VanDerWaalsContact O-N 3.07Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.46Å; K53-I58 HydrophobicContact CB-CG2 4.1Å; V56-I58 PolarHBondContact O-N 3.46Å; I58-F79 HydrophobicContact CB-CE2 4.49Å; I58-F79 HydrophobicContact CD1-CE2 4.01Å; I58-F79 HydrophobicContact CD1-CZ 4.5Å
59	G	98	Very high	97	Very high	14 Å²	14	59.2 Å²	59.2	14%	0.144	32%	0.318	C	S	.	.	S	Bend	trans	166.4	-162.9	-176.7	0	0	0	0	0	113.4	F46 K61 F79	F46-G59 CarbonylContact O-C 3.58Å; F46-G59 WeakPolarHBondContact O-CA 3.21Å; G59-K61 PolarHBondContact O-N 3.47Å; G59-F79 VanDerWaalsContact O-CB 3.28Å; G59-F79 WeakPolarHBondContact O-CB 3.43Å; G59-F79 WeakPolarHBondContact O-CD1 3.43Å; G59-F79 WeakPolarHBondContact O-CG 3.44Å
60	F	98.8	Very high	97	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-80.2	-12.5	-170.1	-60.8	-47.8	0	0	0	114.7	F15 F43 F46 G62 C63 F79 C122 F124 I171	F15-F60 HydrophobicContact CE1-CB 4.1Å; F15-F60 AromaticContact CE1-CD2 3.94Å; F15-F60 HydrophobicContact CE1-CD2 3.94Å; F15-F60 HydrophobicContact CE1-CG 4.34Å; F15-F60 AromaticContact CZ-CD2 3.94Å; F15-F60 HydrophobicContact CZ-CD2 3.94Å; F15-F60 HydrophobicContact CZ-CE2 4.48Å; F15-F60 HydrophobicContact CZ-CG 4.42Å; F43-F60 HydrophobicContact CD1-CE2 4.15Å; F43-F60 AromaticContact CD2-CE2 3.54Å; F43-F60 HydrophobicContact CD2-CE2 3.54Å; F43-F60 AromaticContact CD2-CZ 3.66Å; F43-F60 HydrophobicContact CD2-CZ 3.66Å; F43-F60 HydrophobicContact CE1-CE2 4.13Å; F43-F60 HydrophobicContact CE2-CD2 4.47Å; F43-F60 AromaticContact CE2-CE2 3.52Å; F43-F60 HydrophobicContact CE2-CE2 3.52Å; F43-F60 AromaticContact CE2-CZ 3.68Å; F43-F60 HydrophobicContact CE2-CZ 3.68Å; F43-F60 AromaticContact CG-CE2 3.89Å; F43-F60 HydrophobicContact CG-CE2 3.89Å; F43-F60 HydrophobicContact CG-CZ 4.39Å; F43-F60 HydrophobicContact CZ-CD2 4.44Å; F43-F60 AromaticContact CZ-CE2 3.85Å; F43-F60 HydrophobicContact CZ-CE2 3.85Å; F43-F60 HydrophobicContact CZ-CZ 4.42Å; F46-F60 HydrophobicContact CB-CD1 4.4Å; F46-F60 HydrophobicContact CB-CD2 3.71Å; F46-F60 HydrophobicContact CB-CE1 4.11Å; F46-F60 HydrophobicContact CB-CE2 3.4Å; F46-F60 VanDerWaalsContact CB-CE2 3.4Å; F46-F60 HydrophobicContact CB-CG 4.21Å; F46-F60 HydrophobicContact CB-CZ 3.62Å; F46-F60 HydrophobicContact CD2-CE1 4.47Å; F46-F60 AromaticContact CD2-CZ 4Å; F46-F60 HydrophobicContact CD2-CZ 4Å; F46-F60 HydrophobicContact CG-CE2 4.46Å; F46-F60 HydrophobicContact CG-CZ 4.26Å; F46-F60 PolarHBondContact O-N 2.71Å; F60-G62 PolarHBondContact O-N 3.46Å; F60-C63 WeakPolarHBondContact O-CB 3.17Å; F60-C63 PolarHBondContact O-N 3.37Å; F60-F79 AromaticContact CD1-CD1 3.82Å; F60-F79 HydrophobicContact CD1-CD1 3.82Å; F60-F79 HydrophobicContact CD1-CE1 4.13Å; F60-F79 AromaticContact CE1-CD1 3.99Å; F60-F79 HydrophobicContact CE1-CD1 3.99Å; F60-F79 AromaticContact CE1-CE1 3.9Å; F60-F79 HydrophobicContact CE1-CE1 3.9Å; F60-C122 VanDerWaalsContact CE1-O 3.27Å; F60-C122 WeakPolarHBondContact CE1-O 3.49Å; F60-C122 WeakPolarHBondContact CZ-O 3.31Å; F60-F124 HydrophobicContact CD1-CE1 4.19Å; F60-F124 HydrophobicContact CE1-CD1 4.12Å; F60-F124 HydrophobicContact CE1-CE1 4.02Å; F60-F124 HydrophobicContact CZ-CD1 4.13Å; F60-F124 HydrophobicContact CZ-CE1 4.21Å; F60-I171 HydrophobicContact CB-CD1 4.05Å; F60-I171 WeakPolarHBondContact O-CB 3.4Å
61	K	98.5	Very high	97	Very high	133 Å²	133	63.3 Å²	63.3	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	122.1	177.9	-173.4	177.2	-177.6	172.8	0	110.3	G59 C63 C174	G59-K61 PolarHBondContact O-N 3.47Å; K61-C63 VanDerWaalsContact C-N 3.27Å; K61-C63 PolarHBondContact O-N 2.86Å; K61-C174 PolarHBondContact N-SG 3.18Å
62	G	97.7	Very high	97.1	Very high	48 Å²	48	63.5 Å²	63.5	50%	0.495	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-1.9	-175.9	0	0	0	0	0	114.6	F60 L170 I171	F60-G62 PolarHBondContact O-N 3.46Å; G62-L170 VanDerWaalsContact O-CD2 3.3Å; G62-L170 WeakPolarHBondContact O-CD2 3.13Å; G62-I171 PolarHBondContact N-O 2.9Å
63	C	97.4	Very high	97.2	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.041	31%	0.307	C	S	.	.			trans	-72.6	154.1	175.6	-171.2	0	0	0	0	111.1	F60 K61 G77 D78 F79 L170 I171	F60-C63 WeakPolarHBondContact O-CB 3.17Å; F60-C63 PolarHBondContact O-N 3.37Å; K61-C63 VanDerWaalsContact C-N 3.27Å; K61-C63 PolarHBondContact O-N 2.86Å; C63-G77 WeakPolarHBondContact SG-CA 3.43Å; C63-G77 PolarHBondContact SG-N 2.92Å; C63-D78 PolarHBondContact SG-N 3.5Å; C63-D78 VanDerWaalsContact SG-N 3.37Å; C63-D78 PolarHBondContact SG-O 2.79Å; C63-F79 HydrophobicContact CB-CB 4.29Å; C63-L170 WeakPolarHBondContact O-CA 3.32Å; C63-I171 PolarHBondContact O-N 3.17Å
64	T	97.9	Very high	97.5	Very high	38 Å²	38	50.1 Å²	50.1	23%	0.233	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.5	158.1	179.8	64.3	0	0	0	0	112.7	H66 G76 I169 L170	T64-H66 PolarHBondContact O-N 3.19Å; T64-G76 VanDerWaalsContact O-CA 3.31Å; T64-G76 WeakPolarHBondContact O-CA 3.12Å; T64-I169 CarbonylContact C-O 3.53Å; T64-I169 WeakPolarHBondContact CA-O 3.24Å; T64-I169 WeakPolarHBondContact CB-O 3.35Å; T64-L170 HydrophobicContact CG2-CD2 3.45Å; T64-L170 VanDerWaalsContact CG2-CD2 3.45Å; T64-L170 HydrophobicContact CG2-CG 4.1Å
65	F	98.6	Very high	97.8	Very high	3 Å²	3	44 Å²	44	1%	0.013	25%	0.247	C	C	.	.			trans	-83.9	97.6	155.8	-68.5	-92.6	0	0	0	108.2	M27 I74 Q75 F124 I154 P165 I169 I171	M27-F65 HydrophobicContact CE-CZ 4.06Å; F65-I74 HydrophobicContact CD1-CB 4.19Å; F65-I74 HydrophobicContact CD1-CD1 4.31Å; F65-I74 HydrophobicContact CD1-CG1 4.33Å; F65-I74 HydrophobicContact CE1-CD1 4Å; F65-I74 HydrophobicContact CE1-CG1 4.23Å; F65-Q75 CarbonylContact C-O 3.52Å; F65-Q75 WeakPolarHBondContact CA-O 3.42Å; F65-F124 AromaticContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CZ 4.14Å; F65-F124 HydrophobicContact CZ-CE2 4.28Å; F65-F124 HydrophobicContact CZ-CZ 4.23Å; F65-I154 HydrophobicContact CD2-CD1 4.35Å; F65-I154 HydrophobicContact CE2-CD1 4.03Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.26Å; F65-P165 WeakPolarHBondContact O-CG 3.3Å; F65-I169 HydrophobicContact CB-CB 4.15Å; F65-I169 HydrophobicContact CB-CG2 4.17Å; F65-I169 HydrophobicContact CD2-CB 4.4Å; F65-I169 HydrophobicContact CD2-CG2 3.65Å; F65-I169 HydrophobicContact CE2-CG2 4.5Å; F65-I169 HydrophobicContact CG-CG2 4.26Å; F65-I169 PolarHBondContact N-O 3.42Å; F65-I171 HydrophobicContact CD2-CG1 4.5Å; F65-I171 HydrophobicContact CE2-CD1 4.23Å; F65-I171 HydrophobicContact CE2-CG1 3.82Å; F65-I171 HydrophobicContact CZ-CD1 4.46Å; F65-I171 HydrophobicContact CZ-CG1 4.46Å
66	H	98.4	Very high	98	Very high	19 Å²	19	41.6 Å²	41.6	9%	0.088	22%	0.222	C	C	.	.			trans	-81.1	-14.8	-172.8	58.4	-78.4	0	0	0	113.7	T64 Q75 G84 Q123	T64-H66 PolarHBondContact O-N 3.19Å; H66-Q75 PolarHBondContact N-O 3.25Å; H66-Q75 VanDerWaalsContact N-O 3.12Å; H66-Q75 PolarHBondContact NE2-NE2 2.81Å; H66-G84 WeakPolarHBondContact NE2-CA 3.14Å; H66-Q123 PolarHBondContact CE1-OE1 3.48Å; H66-Q123 PolarHBondContact NE2-OE1 3.32Å
67	R	98.6	Very high	98.2	Very high	99 Å²	99	37.2 Å²	37.2	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	123.3	-179.3	-170.3	-177.6	-175.3	-145.9	3	111.6	I69 M73 Q75 N163	R67-I69 HydrophobicContact CG-CG1 4.5Å; R67-M73 HydrophobicContact CG-CE 4.01Å; R67-Q75 HydrophobicContact CB-CB 4.28Å; R67-Q75 PolarHBondContact N-O 2.98Å; R67-Q75 PolarHBondContact O-N 3.35Å; R67-N163 HydrophobicContact CG-CB 4.33Å
68	V	98.8	Very high	98.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.6	-177.1	168.9	0	0	0	0	109.5	I74 I154 T159 N163 P165 I169	V68-I74 HydrophobicContact CB-CG2 4.39Å; V68-I74 HydrophobicContact CG1-CG2 4.01Å; V68-I74 HydrophobicContact CG2-CB 4.43Å; V68-I74 HydrophobicContact CG2-CG2 4.03Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; V68-T159 HydrophobicContact CB-CG2 4.03Å; V68-T159 HydrophobicContact CG1-CG2 4.26Å; V68-T159 WeakPolarHBondContact O-CG2 3.46Å; V68-N163 PolarHBondContact N-O 2.8Å; V68-N163 WeakPolarHBondContact O-CB 3.38Å; V68-P165 HydrophobicContact CB-CG 4.04Å; V68-P165 HydrophobicContact CG2-CG 3.56Å; V68-I169 HydrophobicContact CG2-CD1 4.01Å
69	I	98.6	Very high	98.3	Very high	29 Å²	29	34.6 Å²	34.6	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	107.1	177.6	-54.9	178.3	0	0	0	107.9	R67 F72 M73 N163	R67-I69 HydrophobicContact CG-CG1 4.5Å; I69-F72 HydrophobicContact CB-CB 4.02Å; I69-F72 HydrophobicContact CB-CD1 4Å; I69-F72 HydrophobicContact CB-CG 4.5Å; I69-F72 HydrophobicContact CD1-CD1 3.85Å; I69-F72 HydrophobicContact CD1-CE1 4.27Å; I69-F72 HydrophobicContact CG1-CD1 4.48Å; I69-F72 HydrophobicContact CG2-CB 3.76Å; I69-F72 HydrophobicContact CG2-CD1 4.01Å; I69-F72 HydrophobicContact CG2-CG 4.4Å; I69-F72 PolarHBondContact O-N 3.35Å; I69-M73 HydrophobicContact CB-CE 4.05Å; I69-M73 HydrophobicContact CD1-CE 3.65Å; I69-M73 HydrophobicContact CG1-CE 3.61Å; I69-M73 PolarHBondContact N-O 3.23Å; I69-M73 PolarHBondContact O-N 3.14Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.69Å
70	K	98.4	Very high	98.3	Very high	107 Å²	107	37.3 Å²	37.3	47%	0.465	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	138.9	176.9	-175.4	178.6	168.9	58.9	0	110.5	F72 E155 N156	K70-F72 PolarHBondContact O-N 2.61Å; K70-E155 HydrophobicContact CB-CG 4.42Å; K70-E155 HydrophobicContact CG-CG 4.24Å; K70-N156 PolarHBondContact NZ-OD1 3.44Å
71	D	97.9	Very high	98.2	Very high	102 Å²	102	41.9 Å²	41.9	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	21	-177.4	-51.5	-49.5	0	0	0	113.5	T129 E155	D71-T129 WeakPolarHBondContact O-CG2 3.42Å; D71-E155 PolarHBondContact N-OE1 2.9Å
72	F	98.6	Very high	98	Very high	47 Å²	47	36.9 Å²	36.9	21%	0.206	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-76.7	173.3	178.7	-149.7	0	0	0	112.1	I69 K70 C128 C131 W133 L134	I69-F72 HydrophobicContact CB-CB 4.02Å; I69-F72 HydrophobicContact CB-CD1 4Å; I69-F72 HydrophobicContact CB-CG 4.5Å; I69-F72 HydrophobicContact CD1-CD1 3.85Å; I69-F72 HydrophobicContact CD1-CE1 4.27Å; I69-F72 HydrophobicContact CG1-CD1 4.48Å; I69-F72 HydrophobicContact CG2-CB 3.76Å; I69-F72 HydrophobicContact CG2-CD1 4.01Å; I69-F72 HydrophobicContact CG2-CG 4.4Å; I69-F72 PolarHBondContact O-N 3.35Å; K70-F72 PolarHBondContact O-N 2.61Å; F72-C128 PolarHBondContact O-N 3.01Å; F72-C131 HydrophobicContact CE2-CB 4.45Å; F72-W133 AromaticContact CD2-CZ2 3.73Å; F72-W133 HydrophobicContact CD2-CZ2 3.73Å; F72-W133 AromaticContact CE2-CZ2 3.6Å; F72-W133 HydrophobicContact CE2-CZ2 3.6Å; F72-W133 AromaticContact CE2-NE1 3.89Å; F72-W133 HydrophobicContact CZ-CZ2 4.5Å; F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.26Å
73	M	98.7	Very high	97.9	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.5	-174.5	65.2	84.2	-131.6	0	0	113.2	R67 I69 Q75 F125 I126	R67-M73 HydrophobicContact CG-CE 4.01Å; I69-M73 HydrophobicContact CB-CE 4.05Å; I69-M73 HydrophobicContact CD1-CE 3.65Å; I69-M73 HydrophobicContact CG1-CE 3.61Å; I69-M73 PolarHBondContact N-O 3.23Å; I69-M73 PolarHBondContact O-N 3.14Å; M73-Q75 HydrophobicContact CE-CB 4.21Å; M73-Q75 HydrophobicContact SD-CB 3.65Å; M73-F125 HydrophobicContact CB-CB 4.34Å; M73-F125 HydrophobicContact CB-CD2 3.97Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.4Å; M73-F125 HydrophobicContact SD-CB 3.83Å; M73-F125 HydrophobicContact SD-CG 4.49Å; M73-I126 VanDerWaalsContact CA-O 3.27Å; M73-I126 WeakPolarHBondContact CA-O 3.35Å; M73-I126 WeakPolarHBondContact CB-O 3.49Å
74	I	98.8	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.7	168.8	57.9	172.5	0	0	0	109.2	F65 V68 F125 I126 M151 I154 E155	F65-I74 HydrophobicContact CD1-CB 4.19Å; F65-I74 HydrophobicContact CD1-CD1 4.31Å; F65-I74 HydrophobicContact CD1-CG1 4.33Å; F65-I74 HydrophobicContact CE1-CD1 4Å; F65-I74 HydrophobicContact CE1-CG1 4.23Å; V68-I74 HydrophobicContact CB-CG2 4.39Å; V68-I74 HydrophobicContact CG1-CG2 4.01Å; V68-I74 HydrophobicContact CG2-CB 4.43Å; V68-I74 HydrophobicContact CG2-CG2 4.03Å; I74-F125 CarbonylContact O-C 3.59Å; I74-F125 WeakPolarHBondContact O-CA 3.28Å; I74-F125 WeakPolarHBondContact O-CB 3.39Å; I74-I126 HydrophobicContact CD1-CB 4.22Å; I74-I126 HydrophobicContact CD1-CD1 4.27Å; I74-I126 HydrophobicContact CG1-CB 3.79Å; I74-I126 HydrophobicContact CG1-CG1 4.47Å; I74-I126 PolarHBondContact N-O 3.36Å; I74-I126 PolarHBondContact O-N 3.37Å; I74-M151 HydrophobicContact CD1-CB 4.38Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.42Å; I74-I154 HydrophobicContact CB-CG2 4.06Å; I74-I154 HydrophobicContact CD1-CB 4.08Å; I74-I154 HydrophobicContact CD1-CD1 3.94Å; I74-I154 HydrophobicContact CD1-CG2 3.77Å; I74-I154 HydrophobicContact CG2-CG2 3.73Å; I74-E155 HydrophobicContact CG2-CB 4.41Å
75	Q	98.8	Very high	97.8	Very high	25 Å²	25	42.5 Å²	42.5	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.7	-175.8	-179.2	-177.9	-15.1	0	0	110.8	F65 H66 R67 M73 A113 F124 F125	F65-Q75 CarbonylContact C-O 3.52Å; F65-Q75 WeakPolarHBondContact CA-O 3.42Å; H66-Q75 PolarHBondContact N-O 3.25Å; H66-Q75 VanDerWaalsContact N-O 3.12Å; H66-Q75 PolarHBondContact NE2-NE2 2.81Å; R67-Q75 HydrophobicContact CB-CB 4.28Å; R67-Q75 PolarHBondContact N-O 2.98Å; R67-Q75 PolarHBondContact O-N 3.35Å; M73-Q75 HydrophobicContact CE-CB 4.21Å; M73-Q75 HydrophobicContact SD-CB 3.65Å; Q75-A113 HydrophobicContact CG-CB 4.44Å; Q75-F124 WeakPolarHBondContact CA-O 3.31Å; Q75-F124 WeakPolarHBondContact CG-O 3.5Å; Q75-F125 HydrophobicContact CB-CB 4.1Å; Q75-F125 HydrophobicContact CG-CB 4.49Å
76	G	98.6	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-158.8	178.9	0	0	0	0	0	111.6	T64 D78 Q123 F124	T64-G76 VanDerWaalsContact O-CA 3.31Å; T64-G76 WeakPolarHBondContact O-CA 3.12Å; G76-D78 VanDerWaalsContact C-N 3.35Å; G76-Q123 WeakPolarHBondContact O-CA 3.39Å; G76-F124 PolarHBondContact N-O 3.48Å; G76-F124 PolarHBondContact O-N 2.84Å
77	G	98.1	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.			trans	86.7	0.6	174.9	0	0	0	0	0	115	C63 F79 C122	C63-G77 WeakPolarHBondContact SG-CA 3.43Å; C63-G77 PolarHBondContact SG-N 2.92Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 WeakPolarHBondContact O-CD1 3.22Å; G77-F79 PolarHBondContact O-N 2.82Å; G77-C122 PolarHBondContact O-SG 2.86Å; G77-C122 VanDerWaalsContact O-SG 3.38Å
78	D	98.4	Very high	97.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	23%	0.231	C	C	.	.			trans	-78.9	79.9	170.8	-171.5	-4.6	0	0	0	110.7	C63 G76 V80 N81 G82 D83 G84 T85 G86 Q123	C63-D78 PolarHBondContact SG-N 3.5Å; C63-D78 VanDerWaalsContact SG-N 3.37Å; C63-D78 PolarHBondContact SG-O 2.79Å; G76-D78 VanDerWaalsContact C-N 3.35Å; D78-V80 PolarHBondContact OD1-N 2.9Å; D78-N81 PolarHBondContact OD1-N 2.83Å; D78-G82 WeakPolarHBondContact O-CA 3.33Å; D78-G82 PolarHBondContact O-N 2.93Å; D78-G82 VanDerWaalsContact O-N 3.12Å; D78-G82 PolarHBondContact OD1-N 2.78Å; D78-G82 PolarHBondContact OD2-N 2.82Å; D78-D83 PolarHBondContact OD2-N 2.85Å; D78-D83 VanDerWaalsContact OD2-N 3.14Å; D78-G84 WeakPolarHBondContact OD2-CA 3.14Å; D78-G84 PolarHBondContact OD2-N 3.33Å; D78-T85 PolarHBondContact OD2-N 3.32Å; D78-G86 WeakPolarHBondContact OD1-CA 3.19Å; D78-G86 PolarHBondContact OD2-N 3.06Å; D78-Q123 HydrophobicContact CB-CG 3.83Å
79	F	97.4	Very high	97.6	Very high	49 Å²	49	41.6 Å²	41.6	22%	0.215	23%	0.231	C	C	.	.			trans	-82.3	1.6	171.6	55.7	-108.2	0	0	0	113.2	F46 I58 G59 F60 C63 G77 C88 C122	F46-F79 HydrophobicContact CB-CE1 4.31Å; F46-F79 AromaticContact CD1-CE1 3.9Å; F46-F79 HydrophobicContact CD1-CE1 3.9Å; F46-F79 AromaticContact CD1-CZ 3.77Å; F46-F79 HydrophobicContact CD1-CZ 3.77Å; F46-F79 AromaticContact CD2-CE1 3.95Å; F46-F79 HydrophobicContact CD2-CE1 3.95Å; F46-F79 HydrophobicContact CD2-CZ 4.18Å; F46-F79 HydrophobicContact CE1-CE1 4.16Å; F46-F79 AromaticContact CE1-CZ 3.58Å; F46-F79 HydrophobicContact CE1-CZ 3.58Å; F46-F79 HydrophobicContact CE2-CE1 4.19Å; F46-F79 AromaticContact CE2-CZ 3.99Å; F46-F79 HydrophobicContact CE2-CZ 3.99Å; F46-F79 AromaticContact CG-CE1 3.8Å; F46-F79 HydrophobicContact CG-CE1 3.8Å; F46-F79 HydrophobicContact CG-CZ 4.08Å; F46-F79 HydrophobicContact CZ-CE1 4.29Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; I58-F79 HydrophobicContact CB-CE2 4.49Å; I58-F79 HydrophobicContact CD1-CE2 4.01Å; I58-F79 HydrophobicContact CD1-CZ 4.5Å; G59-F79 VanDerWaalsContact O-CB 3.28Å; G59-F79 WeakPolarHBondContact O-CB 3.43Å; G59-F79 WeakPolarHBondContact O-CD1 3.43Å; G59-F79 WeakPolarHBondContact O-CG 3.44Å; F60-F79 AromaticContact CD1-CD1 3.82Å; F60-F79 HydrophobicContact CD1-CD1 3.82Å; F60-F79 HydrophobicContact CD1-CE1 4.13Å; F60-F79 AromaticContact CE1-CD1 3.99Å; F60-F79 HydrophobicContact CE1-CD1 3.99Å; F60-F79 AromaticContact CE1-CE1 3.9Å; F60-F79 HydrophobicContact CE1-CE1 3.9Å; C63-F79 HydrophobicContact CB-CB 4.29Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 WeakPolarHBondContact O-CD1 3.22Å; G77-F79 PolarHBondContact O-N 2.82Å; F79-C88 HydrophobicContact CE2-CB 3.82Å; F79-C88 HydrophobicContact CZ-CB 3.95Å; F79-C122 HydrophobicContact CD1-CB 4.17Å; F79-C122 HydrophobicContact CE1-CB 3.34Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.47Å; F79-C122 VanDerWaalsContact CZ-CB 3.47Å
80	V	97	Very high	97.6	Very high	72 Å²	72	41.2 Å²	41.2	44%	0.436	23%	0.229	S	C	.	.	S	Bend	trans	-90.7	-52.7	-179.1	-177.2	0	0	0	0	109.6	D78 C88	D78-V80 PolarHBondContact OD1-N 2.9Å; V80-C88 HydrophobicContact CG2-CB 3.78Å
81	N	97.1	Very high	97.5	Very high	96 Å²	96	40.8 Å²	40.8	51%	0.513	23%	0.225	S	C	.	.	S	Bend	trans	-122	-21.6	-176.8	-65	-19.6	0	0	0	113.1	D78 D83 T85	D78-N81 PolarHBondContact OD1-N 2.83Å; N81-D83 VanDerWaalsContact C-N 3.25Å; N81-D83 WeakPolarHBondContact CB-OD1 3.41Å; N81-D83 PolarHBondContact O-N 2.91Å; N81-T85 PolarHBondContact ND2-OG1 3.1Å
82	G	95.3	Very high	97.2	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	69.6	16.5	179.6	0	0	0	0	0	115.2	D78	D78-G82 WeakPolarHBondContact O-CA 3.33Å; D78-G82 PolarHBondContact O-N 2.93Å; D78-G82 VanDerWaalsContact O-N 3.12Å; D78-G82 PolarHBondContact OD1-N 2.78Å; D78-G82 PolarHBondContact OD2-N 2.82Å
83	D	95	Very high	96.9	Very high	95 Å²	95	46 Å²	46	51%	0.508	24%	0.244	S	C	.	.	S	Bend	trans	-129.3	-3.6	-174.4	68.5	3.4	0	0	0	114.2	D78 N81 T85	D78-D83 PolarHBondContact OD2-N 2.85Å; D78-D83 VanDerWaalsContact OD2-N 3.14Å; N81-D83 VanDerWaalsContact C-N 3.25Å; N81-D83 WeakPolarHBondContact CB-OD1 3.41Å; N81-D83 PolarHBondContact O-N 2.91Å; D83-T85 WeakPolarHBondContact OD1-CB 2.87Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.44Å; D83-T85 PolarHBondContact OD1-N 3.34Å; D83-T85 PolarHBondContact OD1-OG1 2.9Å
84	G	96.1	Very high	96.8	Very high	26 Å²	26	49.6 Å²	49.6	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	98.7	0.9	-179.1	0	0	0	0	0	114.2	H66 D78 Q123	H66-G84 WeakPolarHBondContact NE2-CA 3.14Å; D78-G84 WeakPolarHBondContact OD2-CA 3.14Å; D78-G84 PolarHBondContact OD2-N 3.33Å; G84-Q123 PolarHBondContact O-NE2 2.82Å
85	T	96.8	Very high	96.8	Very high	88 Å²	88	50.7 Å²	50.7	54%	0.54	27%	0.272	S	S	.	.			trans	-95.8	-14.9	177.1	66	0	0	0	0	113.3	D78 N81 D83	D78-T85 PolarHBondContact OD2-N 3.32Å; N81-T85 PolarHBondContact ND2-OG1 3.1Å; D83-T85 WeakPolarHBondContact OD1-CB 2.87Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.44Å; D83-T85 PolarHBondContact OD1-N 3.34Å; D83-T85 PolarHBondContact OD1-OG1 2.9Å
86	G	96.9	Very high	96.8	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	29%	0.294	C	S	.	.			trans	-70.6	136.8	-177.8	0	0	0	0	0	114	D78 Q123	D78-G86 WeakPolarHBondContact OD1-CA 3.19Å; D78-G86 PolarHBondContact OD2-N 3.06Å; G86-Q123 PolarHBondContact O-NE2 2.9Å
87	I	97.1	Very high	96.8	Very high	83 Å²	83	54.5 Å²	54.5	43%	0.426	30%	0.303	S	S	.	.			trans	-132.1	123.4	176.5	-59.2	177.5	0	0	0	108.8	P94	I87-P94 HydrophobicContact CG2-CB 4.15Å
88	C	97.2	Very high	96.8	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.115	31%	0.314	C	S	.	.			trans	-151.6	145.7	172.7	-173.9	0	0	0	0	109.1	F79 V80 G121 C122	F79-C88 HydrophobicContact CE2-CB 3.82Å; F79-C88 HydrophobicContact CZ-CB 3.95Å; V80-C88 HydrophobicContact CG2-CB 3.78Å; C88-G121 CarbonylContact O-C 3.55Å; C88-G121 VanDerWaalsContact O-CA 3.31Å; C88-G121 WeakPolarHBondContact O-CA 3.35Å; C88-C122 HydrophobicContact CB-CB 4.39Å; C88-C122 WeakPolarHBondContact O-CA 3.27Å; C88-C122 VanDerWaalsContact O-CB 3.3Å; C88-C122 WeakPolarHBondContact O-CB 3.35Å; C88-C122 PolarHBondContact O-N 2.83Å
89	S	98.3	Very high	96.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	32%	0.322	C	S	.	.			trans	-143.1	163.3	168.1	74.9	0	0	0	0	109.1	N42 Y91 R92 G93	N42-S89 VanDerWaalsContact OD1-CA 3.3Å; N42-S89 WeakPolarHBondContact OD1-CA 3.42Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.21Å; S89-Y91 PolarHBondContact O-N 2.98Å; S89-Y91 VanDerWaalsContact O-N 3.12Å; S89-Y91 PolarHBondContact OG-N 3.24Å; S89-Y91 VanDerWaalsContact OG-N 3.12Å; S89-R92 PolarHBondContact O-N 3.42Å; S89-G93 VanDerWaalsContact CB-O 3.23Å; S89-G93 WeakPolarHBondContact CB-O 3.46Å; S89-G93 PolarHBondContact OG-O 3.41Å
90	I	98.3	Very high	96.9	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.113	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.9	172.2	69.4	169.2	0	0	0	112.4	E41 N42 Q45 F46 F51	E41-I90 HydrophobicContact CG-CD1 3.98Å; N42-I90 HydrophobicContact CB-CD1 4.3Å; N42-I90 HydrophobicContact CB-CG1 4.08Å; N42-I90 PolarHBondContact OD1-N 3.17Å; Q45-I90 HydrophobicContact CB-CG2 3.9Å; Q45-I90 HydrophobicContact CG-CD1 4.46Å; F46-I90 HydrophobicContact CE1-CG2 4Å; F46-I90 HydrophobicContact CE2-CG2 4.46Å; F46-I90 HydrophobicContact CZ-CG2 3.98Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD1-CG2 4.49Å; F51-I90 HydrophobicContact CD2-CB 3.68Å; F51-I90 HydrophobicContact CD2-CG2 3.69Å; F51-I90 HydrophobicContact CE2-CB 3.98Å; F51-I90 HydrophobicContact CE2-CG2 4.37Å; F51-I90 WeakPolarHBondContact CE2-O 3.46Å; F51-I90 HydrophobicContact CG-CB 4.26Å; F51-I90 HydrophobicContact CG-CG2 3.75Å
91	Y	97.6	Very high	96.9	Very high	98 Å²	98	64.7 Å²	64.7	38%	0.384	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.4	179.6	-50.1	-57.7	0	0	0	113.8	K38 N42 S89 F95	K38-Y91 WeakPolarHBondContact CA-OH 3.34Å; K38-Y91 HydrophobicContact CB-CE2 4.23Å; K38-Y91 WeakPolarHBondContact CB-OH 3.14Å; K38-Y91 PolarHBondContact O-OH 2.92Å; N42-Y91 HydrophobicContact CB-CE2 4.06Å; S89-Y91 PolarHBondContact O-N 2.98Å; S89-Y91 VanDerWaalsContact O-N 3.12Å; S89-Y91 PolarHBondContact OG-N 3.24Å; S89-Y91 VanDerWaalsContact OG-N 3.12Å; Y91-F95 HydrophobicContact CD2-CB 4.08Å; Y91-F95 HydrophobicContact CD2-CD1 4.14Å; Y91-F95 HydrophobicContact CD2-CD2 4.31Å; Y91-F95 AromaticContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CE2-CD2 4.45Å; Y91-F95 HydrophobicContact CE2-CG 4.48Å
92	R	91.1	Very high	97	Very high	234 Å²	234	63.3 Å²	63.3	88%	0.883	33%	0.33	S	S	*	.	S	Bend	trans	66.3	78.9	178.6	-52.3	179.3	178.4	-163.7	-1.5	113.6	S89	S89-R92 PolarHBondContact O-N 3.42Å
93	G	92.8	Very high	97.1	Very high	25 Å²	25	66.7 Å²	66.7	26%	0.258	34%	0.337	S	S	.	.	S	Bend	trans	108.4	-161.9	177.5	0	0	0	0	0	112.1	S89	S89-G93 VanDerWaalsContact CB-O 3.23Å; S89-G93 WeakPolarHBondContact CB-O 3.46Å; S89-G93 PolarHBondContact OG-O 3.41Å
94	P	97.1	Very high	97.3	Very high	79 Å²	79	62.2 Å²	62.2	51%	0.513	31%	0.313	S	S	.	.			trans	-67	152.8	173.1	27.8	-32.8	0	0	0	111.8	I87 N120	I87-P94 HydrophobicContact CG2-CB 4.15Å; P94-N120 CarbonylContact C-O 3.53Å; P94-N120 WeakPolarHBondContact CA-O 3.47Å
95	F	98.5	Very high	97.4	Very high	22 Å²	22	64.3 Å²	64.3	10%	0.096	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-131	158.3	175.9	70.2	-83.4	0	0	0	113.1	T39 N42 Y91 M112 G118 N120	T39-F95 HydrophobicContact CG2-CE2 4.46Å; T39-F95 HydrophobicContact CG2-CZ 4.32Å; N42-F95 HydrophobicContact CB-CZ 4.43Å; Y91-F95 HydrophobicContact CD2-CB 4.08Å; Y91-F95 HydrophobicContact CD2-CD1 4.14Å; Y91-F95 HydrophobicContact CD2-CD2 4.31Å; Y91-F95 AromaticContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CE2-CD2 4.45Å; Y91-F95 HydrophobicContact CE2-CG 4.48Å; F95-M112 HydrophobicContact CE1-CE 4.17Å; F95-M112 HydrophobicContact CZ-CE 4.05Å; F95-G118 CarbonylContact C-O 3.58Å; F95-G118 CarbonylContact O-C 3.59Å; F95-G118 VanDerWaalsContact O-C 3.25Å; F95-N120 HydrophobicContact CD1-CB 3.82Å; F95-N120 WeakPolarHBondContact CD1-O 3.23Å; F95-N120 HydrophobicContact CD2-CB 4.02Å; F95-N120 HydrophobicContact CE1-CB 3.51Å; F95-N120 HydrophobicContact CE2-CB 3.73Å; F95-N120 HydrophobicContact CG-CB 4.07Å; F95-N120 HydrophobicContact CZ-CB 3.47Å; F95-N120 VanDerWaalsContact CZ-CB 3.47Å; F95-N120 PolarHBondContact N-O 2.68Å; F95-N120 WeakPolarHBondContact O-CB 3.31Å; F95-N120 PolarHBondContact O-N 3.25Å; F95-N120 PolarHBondContact O-ND2 3.06Å
96	A	98.4	Very high	97.5	Very high	70 Å²	70	61.9 Å²	61.9	58%	0.579	31%	0.312	S	S	*	.			trans	-62.9	154.9	-175.4	0	0	0	0	0	113.3	E98 N120	A96-E98 PolarHBondContact O-N 3.01Å; A96-N120 PolarHBondContact O-ND2 2.87Å
97	D	98.6	Very high	97.5	Very high	35 Å²	35	64.6 Å²	64.6	19%	0.187	33%	0.329	C	S	.	.			trans	-67.1	116.1	168.7	-59.5	-58.5	0	0	0	109.6	F100 G118 N120 V139	D97-F100 HydrophobicContact CB-CE1 4.08Å; D97-F100 HydrophobicContact CB-CE2 4.04Å; D97-F100 HydrophobicContact CB-CZ 3.49Å; D97-F100 VanDerWaalsContact CB-CZ 3.49Å; D97-G118 PolarHBondContact OD2-N 3.04Å; D97-N120 WeakPolarHBondContact CA-ND2 3.44Å; D97-N120 PolarHBondContact N-ND2 3.18Å; D97-N120 PolarHBondContact OD1-ND2 2.94Å; D97-V139 HydrophobicContact CB-CG2 3.88Å
98	E	98.4	Very high	97.6	Very high	50 Å²	50	60.8 Å²	60.8	23%	0.234	31%	0.31	C	S	.	.			trans	-68.7	-46.7	-173.9	-174.9	166.8	-161.6	0	0	112.5	V36 P37 K38 T39 A96	V36-E98 VanDerWaalsContact C-CD 3.49Å; V36-E98 VanDerWaalsContact CA-CD 3.44Å; V36-E98 VanDerWaalsContact CA-OE2 3.24Å; V36-E98 WeakPolarHBondContact CA-OE2 3.47Å; V36-E98 HydrophobicContact CB-CG 4.4Å; V36-E98 VanDerWaalsContact CB-OE2 3.29Å; V36-E98 WeakPolarHBondContact CB-OE2 3.3Å; V36-E98 HydrophobicContact CG1-CB 4.25Å; V36-E98 HydrophobicContact CG1-CG 4.21Å; P37-E98 WeakPolarHBondContact CD-OE1 2.93Å; P37-E98 WeakPolarHBondContact CG-OE1 3.35Å; K38-E98 WeakPolarHBondContact CB-OE1 3.42Å; K38-E98 WeakPolarHBondContact CB-OE2 3.47Å; K38-E98 WeakPolarHBondContact CG-OE1 3.49Å; K38-E98 PolarHBondContact N-OE1 3.2Å; K38-E98 PolarHBondContact N-OE2 3.41Å; K38-E98 VanDerWaalsContact N-OE2 3.15Å; T39-E98 WeakPolarHBondContact CB-OE2 3.38Å; T39-E98 PolarHBondContact N-OE2 2.93Å; T39-E98 PolarHBondContact OG1-OE2 2.8Å; A96-E98 PolarHBondContact O-N 3.01Å
99	N	98.4	Very high	97.7	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.182	31%	0.31	C	S	.	.			trans	-170.8	171.9	164.7	62.1	78.6	0	0	0	110.9	V35 V36 R101	V35-N99 PolarHBondContact O-ND2 3.44Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.27Å; N99-R101 HydrophobicContact CB-CG 4.33Å; N99-R101 WeakPolarHBondContact OD1-CB 3.38Å; N99-R101 WeakPolarHBondContact OD1-CG 3.34Å; N99-R101 PolarHBondContact OD1-N 2.85Å; N99-R101 VanDerWaalsContact OD1-N 3.16Å
100	F	98.4	Very high	97.7	Very high	66 Å²	66	60.8 Å²	60.8	29%	0.289	31%	0.309	S	S	.	.			trans	-119.8	37	176.8	-55.2	-71.3	0	0	0	112.8	D97 K103 G136 V139	D97-F100 HydrophobicContact CB-CE1 4.08Å; D97-F100 HydrophobicContact CB-CE2 4.04Å; D97-F100 HydrophobicContact CB-CZ 3.49Å; D97-F100 VanDerWaalsContact CB-CZ 3.49Å; F100-K103 PolarHBondContact O-NZ 3.32Å; F100-G136 WeakPolarHBondContact CE2-O 3.45Å; F100-G136 WeakPolarHBondContact CZ-O 3.31Å; F100-V139 HydrophobicContact CD1-CG2 4.4Å; F100-V139 HydrophobicContact CE1-CG2 4.05Å
101	R	98.3	Very high	97.7	Very high	187 Å²	187	59.7 Å²	59.7	71%	0.706	30%	0.304	S	S	*	.			trans	-66.2	-46.2	-178.7	-71.5	176.4	175.7	178.9	-0.5	111.6	V35 N99	V35-R101 HydrophobicContact CG1-CB 4.23Å; N99-R101 HydrophobicContact CB-CG 4.33Å; N99-R101 WeakPolarHBondContact OD1-CB 3.38Å; N99-R101 WeakPolarHBondContact OD1-CG 3.34Å; N99-R101 PolarHBondContact OD1-N 2.85Å; N99-R101 VanDerWaalsContact OD1-N 3.16Å
102	M	98.3	Very high	97.8	Very high	68 Å²	68	55.1 Å²	55.1	34%	0.335	29%	0.286	S	S	.	.	S	Bend	trans	-77.7	139.6	178.5	-61.4	-55.5	-77.6	0	0	110.4	F32 V35 V140	F32-M102 HydrophobicContact CD2-CE 4.13Å; F32-M102 HydrophobicContact CD2-CG 4.15Å; F32-M102 HydrophobicContact CE2-CE 3.76Å; F32-M102 HydrophobicContact CE2-CG 4.47Å; F32-M102 HydrophobicContact CZ-CE 4.21Å; V35-M102 HydrophobicContact CG1-CG 4.09Å; M102-V140 HydrophobicContact CB-CB 3.66Å; M102-V140 HydrophobicContact CB-CG1 3.77Å
103	K	98.6	Very high	98.1	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.43	25%	0.248	S	C	.	.			trans	-109.3	152.1	-176.6	-56.2	-60.6	178.4	-172.1	0	111	F100 S105 L109 D135	F100-K103 PolarHBondContact O-NZ 3.32Å; K103-S105 PolarHBondContact O-N 3.39Å; K103-S105 PolarHBondContact O-OG 2.92Å; K103-L109 WeakPolarHBondContact O-CD1 3.34Å; K103-D135 WeakPolarHBondContact CA-OD1 3.45Å; K103-D135 HydrophobicContact CD-CB 4.05Å; K103-D135 WeakPolarHBondContact CD-OD2 3.16Å
104	H	98.7	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.			trans	-77.2	49.4	177	-57.6	82.1	0	0	0	111.9	A106 S111 F125 K130 C131 L134 D135 H138 V140	H104-A106 VanDerWaalsContact C-N 3.34Å; H104-A106 PolarHBondContact O-N 3.08Å; H104-S111 PolarHBondContact NE2-OG 3.23Å; H104-F125 AromaticContact NE2-CZ 3.7Å; H104-K130 CarbonylContact O-C 3.55Å; H104-K130 WeakPolarHBondContact O-CA 3.33Å; H104-C131 HydrophobicContact CB-CB 3.91Å; H104-C131 WeakPolarHBondContact CB-O 3.45Å; H104-C131 PolarHBondContact O-N 3.45Å; H104-L134 PolarHBondContact CE1-O 3.38Å; H104-D135 IonicContact CE1-OD1 2.72Å; H104-D135 IonicContact CG-OD1 3.47Å; H104-D135 PolarHBondContact N-OD1 3.4Å; H104-D135 IonicContact ND1-OD1 3.65Å; H104-D135 PolarHBondContact ND1-OD1 2.87Å; H104-H138 PolarHBondContact CE1-O 3.1Å; H104-V140 VanDerWaalsContact CE1-CG2 3.45Å; H104-V140 WeakPolarHBondContact CE1-CG2 3.46Å; H104-V140 VanDerWaalsContact NE2-CG2 3.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.14Å
105	S	98.2	Very high	98.2	Very high	70 Å²	70	46.3 Å²	46.3	49%	0.49	26%	0.256	S	S	.	.			trans	-77.7	-13.2	-165.9	56	0	0	0	0	114.9	K103	K103-S105 PolarHBondContact O-N 3.39Å; K103-S105 PolarHBondContact O-OG 2.92Å
106	A	97.7	Very high	98	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	27%	0.265	S	S	.	.	S	Bend	trans	-152.5	161.5	-172	0	0	0	0	0	111.9	H104 L109 T127	H104-A106 VanDerWaalsContact C-N 3.34Å; H104-A106 PolarHBondContact O-N 3.08Å; A106-L109 WeakPolarHBondContact O-CD1 3.22Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; A106-T127 PolarHBondContact O-OG1 3.06Å
107	P	98.2	Very high	97.9	Very high	59 Å²	59	49.2 Å²	49.2	38%	0.383	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	153.1	165.6	30.2	-36.7	0	0	0	111.9	C128	P107-C128 WeakPolarHBondContact CB-O 3.4Å
108	G	98.2	Very high	97.7	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	9.8	178.4	0	0	0	0	0	114.5	T127 K143 V144	G108-T127 PolarHBondContact N-O 2.97Å; G108-T127 PolarHBondContact N-OG1 3.34Å; G108-K143 CarbonylContact O-C 3.51Å; G108-K143 VanDerWaalsContact O-CA 3.28Å; G108-K143 WeakPolarHBondContact O-CA 3.28Å; G108-V144 PolarHBondContact O-N 3.26Å
109	L	98.7	Very high	97.6	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.2	174.6	-63	175.4	0	0	0	110.1	K103 A106 I126 T127 V140 K143	K103-L109 WeakPolarHBondContact O-CD1 3.34Å; A106-L109 WeakPolarHBondContact O-CD1 3.22Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; L109-I126 CarbonylContact O-C 3.52Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.22Å; L109-T127 HydrophobicContact CB-CG2 4.29Å; L109-T127 WeakPolarHBondContact CB-OG1 3.46Å; L109-T127 PolarHBondContact N-OG1 3.49Å; L109-T127 PolarHBondContact O-N 3.42Å; L109-V140 HydrophobicContact CB-CG1 4.28Å; L109-K143 HydrophobicContact CD2-CB 3.99Å
110	L	98.8	Very high	97.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.9	176.5	-176.6	69.5	0	0	0	109.3	V29 L31 F43 F124 I126 F141 G142	V29-L110 HydrophobicContact CG1-CB 4.26Å; V29-L110 HydrophobicContact CG1-CD2 3.78Å; L31-L110 HydrophobicContact CD2-CD2 3.87Å; F43-L110 HydrophobicContact CD1-CD2 4.17Å; F43-L110 HydrophobicContact CD2-CD2 4.37Å; F43-L110 HydrophobicContact CE1-CD2 3.74Å; F43-L110 HydrophobicContact CE2-CD1 4.25Å; F43-L110 HydrophobicContact CE2-CD2 3.96Å; F43-L110 HydrophobicContact CG-CD2 4.44Å; F43-L110 HydrophobicContact CZ-CD1 4.08Å; F43-L110 HydrophobicContact CZ-CD2 3.6Å; F43-L110 HydrophobicContact CZ-CG 4.46Å; L110-F124 HydrophobicContact CD1-CB 4.08Å; L110-F124 HydrophobicContact CD1-CD2 3.34Å; L110-F124 HydrophobicContact CD1-CE2 4Å; L110-F124 HydrophobicContact CD1-CG 3.97Å; L110-I126 HydrophobicContact CD1-CG1 3.79Å; L110-F141 HydrophobicContact CD1-CZ 4.11Å; L110-F141 HydrophobicContact CD2-CD2 3.87Å; L110-F141 HydrophobicContact CD2-CE1 4.18Å; L110-F141 HydrophobicContact CD2-CE2 3.13Å; L110-F141 HydrophobicContact CD2-CZ 3.33Å; L110-F141 HydrophobicContact CG-CD1 4.41Å; L110-F141 HydrophobicContact CG-CD2 4.34Å; L110-F141 HydrophobicContact CG-CE1 3.78Å; L110-F141 HydrophobicContact CG-CE2 3.7Å; L110-F141 HydrophobicContact CG-CZ 3.39Å; L110-F141 PolarHBondContact O-N 3.38Å; L110-G142 PolarHBondContact N-O 2.86Å; L110-G142 PolarHBondContact O-N 3.03Å
111	S	98.9	Very high	97.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.3	-177	-173.7	0	0	0	0	113.1	H104 F124 F125 H138 V139	H104-S111 PolarHBondContact NE2-OG 3.23Å; S111-F124 CarbonylContact O-C 3.58Å; S111-F124 VanDerWaalsContact O-CA 3.31Å; S111-F124 WeakPolarHBondContact O-CA 3.39Å; S111-F125 PolarHBondContact N-O 3.33Å; S111-F125 PolarHBondContact O-N 3.46Å; S111-F125 WeakPolarHBondContact OG-CZ 3.44Å; S111-H138 WeakPolarHBondContact OG-CB 3.41Å; S111-V139 CarbonylContact C-O 3.46Å; S111-V139 VanDerWaalsContact CA-O 3.23Å; S111-V139 WeakPolarHBondContact CA-O 3.39Å; S111-V139 WeakPolarHBondContact CB-O 3.48Å; S111-V139 VanDerWaalsContact OG-C 3.32Å; S111-V139 PolarHBondContact OG-O 2.86Å
112	M	98.8	Very high	97.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.4	-177.8	-70.3	-54.9	-62.6	0	0	111	T39 F95 N120 G121 F125 H138 V139 F141	T39-M112 HydrophobicContact CG2-CG 3.49Å; T39-M112 VanDerWaalsContact CG2-CG 3.49Å; T39-M112 HydrophobicContact CG2-SD 3.75Å; F95-M112 HydrophobicContact CE1-CE 4.17Å; F95-M112 HydrophobicContact CZ-CE 4.05Å; M112-N120 WeakPolarHBondContact CB-OD1 3.44Å; M112-N120 HydrophobicContact CE-CB 3.94Å; M112-N120 HydrophobicContact CG-CB 4.45Å; M112-G121 WeakPolarHBondContact CE-O 3.38Å; M112-F125 WeakPolarHBondContact O-CE1 3.32Å; M112-H138 PolarHBondContact O-ND1 3.05Å; M112-V139 HydrophobicContact CB-CB 4.49Å; M112-V139 HydrophobicContact CG-CB 4.3Å; M112-V139 PolarHBondContact N-O 3.39Å; M112-F141 HydrophobicContact CB-CE1 4.46Å; M112-F141 HydrophobicContact CG-CD1 3.76Å; M112-F141 HydrophobicContact CG-CE1 3.72Å; M112-F141 HydrophobicContact SD-CD1 3.91Å; M112-F141 HydrophobicContact SD-CE1 3.35Å; M112-F141 WeakPolarHBondContact SD-CE1 3.31Å; M112-F141 HydrophobicContact SD-CZ 3.79Å
113	A	98.3	Very high	97.7	Very high	12 Å²	12	32.5 Å²	32.5	10%	0.099	22%	0.215	C	C	.	.			trans	-78.1	138.1	163.5	0	0	0	0	0	108.7	Q75 Q123 F125	Q75-A113 HydrophobicContact CG-CB 4.44Å; A113-Q123 HydrophobicContact CB-CB 3.81Å; A113-Q123 PolarHBondContact N-O 2.83Å; A113-Q123 VanDerWaalsContact N-O 3.08Å; A113-F125 HydrophobicContact CB-CD1 4.31Å
114	N	96.5	Very high	97.7	Very high	33 Å²	33	27.8 Å²	27.8	18%	0.176	20%	0.195	C	C	.	.			trans	-147.7	169.3	179	70.8	37.2	0	0	0	110.2	G116 T119 K137 H138	N114-G116 PolarHBondContact OD1-N 2.82Å; N114-T119 WeakPolarHBondContact CB-OG1 3.35Å; N114-K137 PolarHBondContact ND2-O 2.82Å; N114-H138 PolarHBondContact OD1-CE1 3.07Å
115	S	94.8	Very high	97.7	Very high	109 Å²	109	28.1 Å²	28.1	76%	0.762	20%	0.196	S	C	*	.	S	Bend	trans	-114.2	29.8	178.8	-61.3	0	0	0	0	111.6	T119	S115-T119 PolarHBondContact N-OG1 3.28Å
116	G	95.1	Very high	97.7	Very high	26 Å²	26	24.8 Å²	24.8	27%	0.268	17%	0.173	S	C	.	.	S	Bend	trans	128.4	174.5	-174.6	0	0	0	0	0	113.1	N114 G118 T119	N114-G116 PolarHBondContact OD1-N 2.82Å; G116-G118 PolarHBondContact O-N 2.86Å; G116-T119 PolarHBondContact N-OG1 3.24Å; G116-T119 PolarHBondContact O-N 3.07Å; G116-T119 PolarHBondContact O-OG1 2.95Å
117	P	96.6	Very high	97.8	Very high	126 Å²	126	23 Å²	23	82%	0.818	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.1	-177.1	-26.3	35.1	0	0	0	112.7	T119	P117-T119 PolarHBondContact O-N 3.12Å
118	G	93.4	Very high	97.8	Very high	28 Å²	28	20.3 Å²	20.3	29%	0.289	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	26.8	176.1	0	0	0	0	0	115.9	F95 D97 G116	F95-G118 CarbonylContact C-O 3.58Å; F95-G118 CarbonylContact O-C 3.59Å; F95-G118 VanDerWaalsContact O-C 3.25Å; D97-G118 PolarHBondContact OD2-N 3.04Å; G116-G118 PolarHBondContact O-N 2.86Å
119	T	97.6	Very high	97.8	Very high	40 Å²	40	22.7 Å²	22.7	25%	0.245	16%	0.155	C	C	.	.			trans	-113.1	29.8	180	63.5	0	0	0	0	113.5	N114 S115 G116 P117	N114-T119 WeakPolarHBondContact CB-OG1 3.35Å; S115-T119 PolarHBondContact N-OG1 3.28Å; G116-T119 PolarHBondContact N-OG1 3.24Å; G116-T119 PolarHBondContact O-N 3.07Å; G116-T119 PolarHBondContact O-OG1 2.95Å; P117-T119 PolarHBondContact O-N 3.12Å
120	N	98.5	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-65.3	141	177.3	-60.8	-59.5	0	0	0	110.5	P94 F95 A96 D97 M112	P94-N120 CarbonylContact C-O 3.53Å; P94-N120 WeakPolarHBondContact CA-O 3.47Å; F95-N120 HydrophobicContact CD1-CB 3.82Å; F95-N120 WeakPolarHBondContact CD1-O 3.23Å; F95-N120 HydrophobicContact CD2-CB 4.02Å; F95-N120 HydrophobicContact CE1-CB 3.51Å; F95-N120 HydrophobicContact CE2-CB 3.73Å; F95-N120 HydrophobicContact CG-CB 4.07Å; F95-N120 HydrophobicContact CZ-CB 3.47Å; F95-N120 VanDerWaalsContact CZ-CB 3.47Å; F95-N120 PolarHBondContact N-O 2.68Å; F95-N120 WeakPolarHBondContact O-CB 3.31Å; F95-N120 PolarHBondContact O-N 3.25Å; F95-N120 PolarHBondContact O-ND2 3.06Å; A96-N120 PolarHBondContact O-ND2 2.87Å; D97-N120 WeakPolarHBondContact CA-ND2 3.44Å; D97-N120 PolarHBondContact N-ND2 3.18Å; D97-N120 PolarHBondContact OD1-ND2 2.94Å; M112-N120 WeakPolarHBondContact CB-OD1 3.44Å; M112-N120 HydrophobicContact CE-CB 3.94Å; M112-N120 HydrophobicContact CG-CB 4.45Å
121	G	98.4	Very high	97.7	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	17%	0.171	C	C	.	.			trans	-138.9	-123.4	-179.4	0	0	0	0	0	111.9	N42 C88 M112	N42-G121 PolarHBondContact ND2-O 3.22Å; C88-G121 CarbonylContact O-C 3.55Å; C88-G121 VanDerWaalsContact O-CA 3.31Å; C88-G121 WeakPolarHBondContact O-CA 3.35Å; M112-G121 WeakPolarHBondContact CE-O 3.38Å
122	C	98.4	Very high	97.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	19%	0.19	C	C	.	.	S	Bend	trans	-102.5	-22.1	179.7	51.4	0	0	0	0	112	F46 F60 G77 F79 C88	F46-C122 HydrophobicContact CD2-CB 4.27Å; F46-C122 HydrophobicContact CE2-CB 3.91Å; F60-C122 VanDerWaalsContact CE1-O 3.27Å; F60-C122 WeakPolarHBondContact CE1-O 3.49Å; F60-C122 WeakPolarHBondContact CZ-O 3.31Å; G77-C122 PolarHBondContact O-SG 2.86Å; G77-C122 VanDerWaalsContact O-SG 3.38Å; F79-C122 HydrophobicContact CD1-CB 4.17Å; F79-C122 HydrophobicContact CE1-CB 3.34Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.47Å; F79-C122 VanDerWaalsContact CZ-CB 3.47Å; C88-C122 HydrophobicContact CB-CB 4.39Å; C88-C122 WeakPolarHBondContact O-CA 3.27Å; C88-C122 VanDerWaalsContact O-CB 3.3Å; C88-C122 WeakPolarHBondContact O-CB 3.35Å; C88-C122 PolarHBondContact O-N 2.83Å
123	Q	98.8	Very high	97.7	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.075	22%	0.215	C	C	.	.			trans	-74.1	143.3	-177.2	-66.2	-173.6	58.1	0	0	111.9	H66 G76 D78 G84 G86 A113	H66-Q123 PolarHBondContact CE1-OE1 3.48Å; H66-Q123 PolarHBondContact NE2-OE1 3.32Å; G76-Q123 WeakPolarHBondContact O-CA 3.39Å; D78-Q123 HydrophobicContact CB-CG 3.83Å; G84-Q123 PolarHBondContact O-NE2 2.82Å; G86-Q123 PolarHBondContact O-NE2 2.9Å; A113-Q123 HydrophobicContact CB-CB 3.81Å; A113-Q123 PolarHBondContact N-O 2.83Å; A113-Q123 VanDerWaalsContact N-O 3.08Å
124	F	98.9	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.9	180	67.3	-89.2	0	0	0	110.1	F15 F43 F60 F65 Q75 G76 L110 S111 I126 F141 I171	F15-F124 HydrophobicContact CE2-CE1 4.38Å; F15-F124 HydrophobicContact CE2-CE2 4.04Å; F15-F124 AromaticContact CE2-CZ 3.6Å; F15-F124 HydrophobicContact CE2-CZ 3.6Å; F15-F124 HydrophobicContact CZ-CE1 4.3Å; F15-F124 AromaticContact CZ-CZ 3.96Å; F15-F124 HydrophobicContact CZ-CZ 3.96Å; F43-F124 HydrophobicContact CD2-CD1 4.46Å; F43-F124 HydrophobicContact CE2-CB 3.95Å; F43-F124 AromaticContact CE2-CD1 3.45Å; F43-F124 HydrophobicContact CE2-CD1 3.45Å; F43-F124 VanDerWaalsContact CE2-CD1 3.45Å; F43-F124 HydrophobicContact CE2-CD2 4.21Å; F43-F124 AromaticContact CE2-CE1 3.88Å; F43-F124 HydrophobicContact CE2-CE1 3.88Å; F43-F124 AromaticContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CG 3.61Å; F43-F124 HydrophobicContact CE2-CZ 4.43Å; F43-F124 HydrophobicContact CZ-CD1 4.13Å; F43-F124 HydrophobicContact CZ-CD2 4.44Å; F43-F124 HydrophobicContact CZ-CE1 4.14Å; F43-F124 HydrophobicContact CZ-CE2 4.46Å; F43-F124 HydrophobicContact CZ-CG 4.25Å; F43-F124 HydrophobicContact CZ-CZ 4.31Å; F60-F124 HydrophobicContact CD1-CE1 4.19Å; F60-F124 HydrophobicContact CE1-CD1 4.12Å; F60-F124 HydrophobicContact CE1-CE1 4.02Å; F60-F124 HydrophobicContact CZ-CD1 4.13Å; F60-F124 HydrophobicContact CZ-CE1 4.21Å; F65-F124 AromaticContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CZ 4.14Å; F65-F124 HydrophobicContact CZ-CE2 4.28Å; F65-F124 HydrophobicContact CZ-CZ 4.23Å; Q75-F124 WeakPolarHBondContact CA-O 3.31Å; Q75-F124 WeakPolarHBondContact CG-O 3.5Å; G76-F124 PolarHBondContact N-O 3.48Å; G76-F124 PolarHBondContact O-N 2.84Å; L110-F124 HydrophobicContact CD1-CB 4.08Å; L110-F124 HydrophobicContact CD1-CD2 3.34Å; L110-F124 HydrophobicContact CD1-CE2 4Å; L110-F124 HydrophobicContact CD1-CG 3.97Å; S111-F124 CarbonylContact O-C 3.58Å; S111-F124 VanDerWaalsContact O-CA 3.31Å; S111-F124 WeakPolarHBondContact O-CA 3.39Å; F124-I126 HydrophobicContact CD2-CG1 4.34Å; F124-I126 HydrophobicContact CE2-CD1 4.32Å; F124-I126 HydrophobicContact CE2-CG1 4.24Å; F124-F141 HydrophobicContact CB-CE1 4.47Å; F124-F141 HydrophobicContact CB-CZ 4.28Å; F124-I171 HydrophobicContact CZ-CD1 4.21Å
125	F	98.9	Very high	97.7	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.3	165.3	65.1	-88	0	0	0	111.5	M73 I74 Q75 H104 S111 M112 A113 T127 L134 H138	M73-F125 HydrophobicContact CB-CB 4.34Å; M73-F125 HydrophobicContact CB-CD2 3.97Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.4Å; M73-F125 HydrophobicContact SD-CB 3.83Å; M73-F125 HydrophobicContact SD-CG 4.49Å; I74-F125 CarbonylContact O-C 3.59Å; I74-F125 WeakPolarHBondContact O-CA 3.28Å; I74-F125 WeakPolarHBondContact O-CB 3.39Å; Q75-F125 HydrophobicContact CB-CB 4.1Å; Q75-F125 HydrophobicContact CG-CB 4.49Å; H104-F125 AromaticContact NE2-CZ 3.7Å; S111-F125 PolarHBondContact N-O 3.33Å; S111-F125 PolarHBondContact O-N 3.46Å; S111-F125 WeakPolarHBondContact OG-CZ 3.44Å; M112-F125 WeakPolarHBondContact O-CE1 3.32Å; A113-F125 HydrophobicContact CB-CD1 4.31Å; F125-T127 HydrophobicContact CD2-CG2 4.31Å; F125-T127 HydrophobicContact CE2-CG2 3.93Å; F125-L134 HydrophobicContact CE2-CD1 3.77Å; F125-L134 HydrophobicContact CZ-CD1 3.7Å; F125-H138 HydrophobicContact CE1-CB 4Å; F125-H138 AromaticContact CE1-CG 3.87Å; F125-H138 AromaticContact CE1-ND1 3.89Å; F125-H138 HydrophobicContact CZ-CB 3.98Å
126	I	98.9	Very high	97.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.6	170.4	-55.5	172.9	0	0	0	107.7	M27 M73 I74 L109 L110 F124 V144 M151	M27-I126 HydrophobicContact CE-CD1 4.11Å; M27-I126 HydrophobicContact SD-CD1 4.47Å; M73-I126 VanDerWaalsContact CA-O 3.27Å; M73-I126 WeakPolarHBondContact CA-O 3.35Å; M73-I126 WeakPolarHBondContact CB-O 3.49Å; I74-I126 HydrophobicContact CD1-CB 4.22Å; I74-I126 HydrophobicContact CD1-CD1 4.27Å; I74-I126 HydrophobicContact CG1-CB 3.79Å; I74-I126 HydrophobicContact CG1-CG1 4.47Å; I74-I126 PolarHBondContact N-O 3.36Å; I74-I126 PolarHBondContact O-N 3.37Å; L109-I126 CarbonylContact O-C 3.52Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.22Å; L110-I126 HydrophobicContact CD1-CG1 3.79Å; F124-I126 HydrophobicContact CD2-CG1 4.34Å; F124-I126 HydrophobicContact CE2-CD1 4.32Å; F124-I126 HydrophobicContact CE2-CG1 4.24Å; I126-V144 HydrophobicContact CD1-CG2 4.37Å; I126-V144 HydrophobicContact CG2-CG2 4.03Å; I126-M151 HydrophobicContact CG2-CG 4.08Å
127	T	98.8	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.3	179.1	59.6	0	0	0	0	111.2	A106 G108 L109 F125 T129	A106-T127 PolarHBondContact O-OG1 3.06Å; G108-T127 PolarHBondContact N-O 2.97Å; G108-T127 PolarHBondContact N-OG1 3.34Å; L109-T127 HydrophobicContact CB-CG2 4.29Å; L109-T127 WeakPolarHBondContact CB-OG1 3.46Å; L109-T127 PolarHBondContact N-OG1 3.49Å; L109-T127 PolarHBondContact O-N 3.42Å; F125-T127 HydrophobicContact CD2-CG2 4.31Å; F125-T127 HydrophobicContact CE2-CG2 3.93Å; T127-T129 WeakPolarHBondContact CB-O 3.21Å
128	C	98.6	Very high	98.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	-102.4	-12.1	172.9	-61.9	0	0	0	0	112.6	F72 P107 R152 E155	F72-C128 PolarHBondContact O-N 3.01Å; P107-C128 WeakPolarHBondContact CB-O 3.4Å; C128-R152 PolarHBondContact O-NH1 2.83Å; C128-R152 PolarHBondContact O-NH2 3.47Å; C128-E155 HydrophobicContact CB-CG 4.19Å; C128-E155 WeakPolarHBondContact CB-OE1 3.47Å
129	T	98.4	Very high	98.4	Very high	53 Å²	53	33 Å²	33	33%	0.325	17%	0.167	S	C	.	.	S	Bend	trans	-147.6	178.4	173.7	-168.1	0	0	0	0	110.4	D71 T127 C131	D71-T129 WeakPolarHBondContact O-CG2 3.42Å; T127-T129 WeakPolarHBondContact CB-O 3.21Å; T129-C131 PolarHBondContact O-SG 3.25Å
130	K	98.2	Very high	98.5	Very high	101 Å²	101	31.2 Å²	31.2	44%	0.439	16%	0.156	S	C	.	.			trans	-67.2	128.2	169.6	-176.7	174	-164	-115.7	0	110.2	H104 D132	H104-K130 CarbonylContact O-C 3.55Å; H104-K130 WeakPolarHBondContact O-CA 3.33Å; K130-D132 WeakPolarHBondContact CE-OD1 3.32Å; K130-D132 WeakPolarHBondContact CE-OD2 3.36Å; K130-D132 VanDerWaalsContact CG-OD1 3.3Å; K130-D132 WeakPolarHBondContact CG-OD1 3.19Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 PolarHBondContact NZ-OD1 3.38Å; K130-D132 IonicContact NZ-OD2 2.7Å; K130-D132 PolarHBondContact NZ-OD2 3.21Å
131	C	97.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.			trans	-127.6	55.4	-171.9	-57.4	0	0	0	0	112.3	F72 H104 T129 W133 L134	F72-C131 HydrophobicContact CE2-CB 4.45Å; H104-C131 HydrophobicContact CB-CB 3.91Å; H104-C131 WeakPolarHBondContact CB-O 3.45Å; H104-C131 PolarHBondContact O-N 3.45Å; T129-C131 PolarHBondContact O-SG 3.25Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 4.03Å; C131-W133 PolarHBondContact O-N 3Å; C131-L134 HydrophobicContact CB-CD1 3.77Å; C131-L134 HydrophobicContact CB-CG 4.03Å; C131-L134 WeakPolarHBondContact O-CB 3.49Å; C131-L134 PolarHBondContact O-N 2.84Å
132	D	97.9	Very high	98.5	Very high	73 Å²	73	31 Å²	31	39%	0.39	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-55.1	-28.2	-172.3	-57.3	-36.3	0	0	0	114.1	K130 L134 D135	K130-D132 WeakPolarHBondContact CE-OD1 3.32Å; K130-D132 WeakPolarHBondContact CE-OD2 3.36Å; K130-D132 VanDerWaalsContact CG-OD1 3.3Å; K130-D132 WeakPolarHBondContact CG-OD1 3.19Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 PolarHBondContact NZ-OD1 3.38Å; K130-D132 IonicContact NZ-OD2 2.7Å; K130-D132 PolarHBondContact NZ-OD2 3.21Å; D132-L134 PolarHBondContact O-N 3.34Å; D132-L134 VanDerWaalsContact O-N 3.17Å; D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.38Å; D132-D135 VanDerWaalsContact O-N 3.1Å
133	W	98.1	Very high	98.5	Very high	142 Å²	142	32.9 Å²	32.9	54%	0.538	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-69	-9.8	179.2	62.1	87.5	0	0	0	114.5	F72 C131 K137	F72-W133 AromaticContact CD2-CZ2 3.73Å; F72-W133 HydrophobicContact CD2-CZ2 3.73Å; F72-W133 AromaticContact CE2-CZ2 3.6Å; F72-W133 HydrophobicContact CE2-CZ2 3.6Å; F72-W133 AromaticContact CE2-NE1 3.89Å; F72-W133 HydrophobicContact CZ-CZ2 4.5Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 4.03Å; C131-W133 PolarHBondContact O-N 3Å; W133-K137 PolarHBondContact O-NZ 2.98Å
134	L	98.3	Very high	98.5	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-91.9	-11.3	174.4	-58.9	-174.8	0	0	0	112.8	F72 H104 F125 C131 D132 G136 K137 H138	F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.26Å; H104-L134 PolarHBondContact CE1-O 3.38Å; F125-L134 HydrophobicContact CE2-CD1 3.77Å; F125-L134 HydrophobicContact CZ-CD1 3.7Å; C131-L134 HydrophobicContact CB-CD1 3.77Å; C131-L134 HydrophobicContact CB-CG 4.03Å; C131-L134 WeakPolarHBondContact O-CB 3.49Å; C131-L134 PolarHBondContact O-N 2.84Å; D132-L134 PolarHBondContact O-N 3.34Å; D132-L134 VanDerWaalsContact O-N 3.17Å; L134-G136 PolarHBondContact O-N 3.41Å; L134-K137 WeakPolarHBondContact O-CB 3.35Å; L134-K137 PolarHBondContact O-N 2.85Å; L134-H138 PolarHBondContact O-N 3.35Å
135	D	98.3	Very high	98.4	Very high	42 Å²	42	32.9 Å²	32.9	23%	0.225	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.7	178.6	-68.4	-20.3	0	0	0	110.9	K103 H104 D132 K137	K103-D135 WeakPolarHBondContact CA-OD1 3.45Å; K103-D135 HydrophobicContact CD-CB 4.05Å; K103-D135 WeakPolarHBondContact CD-OD2 3.16Å; H104-D135 IonicContact CE1-OD1 2.72Å; H104-D135 IonicContact CG-OD1 3.47Å; H104-D135 PolarHBondContact N-OD1 3.4Å; H104-D135 IonicContact ND1-OD1 3.65Å; H104-D135 PolarHBondContact ND1-OD1 2.87Å; D132-D135 WeakPolarHBondContact O-CB 3.49Å; D132-D135 PolarHBondContact O-N 3.38Å; D132-D135 VanDerWaalsContact O-N 3.1Å; D135-K137 PolarHBondContact O-N 3.31Å
136	G	97.9	Very high	98.4	Very high	40 Å²	40	34.7 Å²	34.7	41%	0.412	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	0.7	-175.8	0	0	0	0	0	114.9	F100 L134	F100-G136 WeakPolarHBondContact CE2-O 3.45Å; F100-G136 WeakPolarHBondContact CZ-O 3.31Å; L134-G136 PolarHBondContact O-N 3.41Å
137	K	98.4	Very high	98.3	Very high	124 Å²	124	35.1 Å²	35.1	54%	0.539	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-33.2	179.3	-59.5	174.6	-173.6	160.9	0	113.1	N114 W133 L134 D135	N114-K137 PolarHBondContact ND2-O 2.82Å; W133-K137 PolarHBondContact O-NZ 2.98Å; L134-K137 WeakPolarHBondContact O-CB 3.35Å; L134-K137 PolarHBondContact O-N 2.85Å; D135-K137 PolarHBondContact O-N 3.31Å
138	H	98.8	Very high	98.2	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.148	19%	0.194	C	C	.	.	S	Bend	trans	-125.5	133.8	-180	-61	-82.7	0	0	0	110.2	H104 S111 M112 N114 F125 L134 V140	H104-H138 PolarHBondContact CE1-O 3.1Å; S111-H138 WeakPolarHBondContact OG-CB 3.41Å; M112-H138 PolarHBondContact O-ND1 3.05Å; N114-H138 PolarHBondContact OD1-CE1 3.07Å; F125-H138 HydrophobicContact CE1-CB 4Å; F125-H138 AromaticContact CE1-CG 3.87Å; F125-H138 AromaticContact CE1-ND1 3.89Å; F125-H138 HydrophobicContact CZ-CB 3.98Å; L134-H138 PolarHBondContact O-N 3.35Å; H138-V140 PolarHBondContact O-N 3.22Å
139	V	98.8	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.			trans	-75.1	117.1	178.4	-179.8	0	0	0	0	108.3	V36 T39 D97 F100 S111 M112 F141	V36-V139 HydrophobicContact CG1-CG1 3.9Å; T39-V139 HydrophobicContact CG2-CG1 4.21Å; D97-V139 HydrophobicContact CB-CG2 3.88Å; F100-V139 HydrophobicContact CD1-CG2 4.4Å; F100-V139 HydrophobicContact CE1-CG2 4.05Å; S111-V139 CarbonylContact C-O 3.46Å; S111-V139 VanDerWaalsContact CA-O 3.23Å; S111-V139 WeakPolarHBondContact CA-O 3.39Å; S111-V139 WeakPolarHBondContact CB-O 3.48Å; S111-V139 VanDerWaalsContact OG-C 3.32Å; S111-V139 PolarHBondContact OG-O 2.86Å; M112-V139 HydrophobicContact CB-CB 4.49Å; M112-V139 HydrophobicContact CG-CB 4.3Å; M112-V139 PolarHBondContact N-O 3.39Å; V139-F141 HydrophobicContact CG1-CB 4.47Å
140	V	98.9	Very high	98.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.7	169.7	174.4	0	0	0	0	108	F32 M102 H104 L109 H138	F32-V140 HydrophobicContact CE2-CG1 4.15Å; M102-V140 HydrophobicContact CB-CB 3.66Å; M102-V140 HydrophobicContact CB-CG1 3.77Å; H104-V140 VanDerWaalsContact CE1-CG2 3.45Å; H104-V140 WeakPolarHBondContact CE1-CG2 3.46Å; H104-V140 VanDerWaalsContact NE2-CG2 3.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.14Å; L109-V140 HydrophobicContact CB-CG1 4.28Å; H138-V140 PolarHBondContact O-N 3.22Å
141	F	98.8	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	6.8	-169	72.5	-89.6	0	0	0	114.8	L31 F32 V36 T39 F43 L110 M112 F124 V139	L31-F141 HydrophobicContact CD2-CD2 4.33Å; L31-F141 HydrophobicContact CD2-CE2 4.21Å; F32-F141 VanDerWaalsContact CD2-C 3.44Å; F32-F141 PolarHBondContact N-O 3.24Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å; T39-F141 HydrophobicContact CG2-CB 3.68Å; T39-F141 HydrophobicContact CG2-CD1 3.81Å; T39-F141 HydrophobicContact CG2-CD2 4.16Å; T39-F141 HydrophobicContact CG2-CE1 4.46Å; T39-F141 HydrophobicContact CG2-CG 3.63Å; F43-F141 HydrophobicContact CB-CD2 4.36Å; F43-F141 HydrophobicContact CB-CE2 3.54Å; F43-F141 HydrophobicContact CB-CZ 4.23Å; F43-F141 HydrophobicContact CD1-CE2 4.07Å; F43-F141 AromaticContact CD2-CE2 3.46Å; F43-F141 HydrophobicContact CD2-CE2 3.46Å; F43-F141 VanDerWaalsContact CD2-CE2 3.46Å; F43-F141 AromaticContact CD2-CZ 3.38Å; F43-F141 HydrophobicContact CD2-CZ 3.38Å; F43-F141 HydrophobicContact CE2-CE2 4.06Å; F43-F141 AromaticContact CE2-CZ 3.74Å; F43-F141 HydrophobicContact CE2-CZ 3.74Å; F43-F141 AromaticContact CG-CE2 3.43Å; F43-F141 HydrophobicContact CG-CE2 3.43Å; F43-F141 VanDerWaalsContact CG-CE2 3.43Å; F43-F141 AromaticContact CG-CZ 3.89Å; F43-F141 HydrophobicContact CG-CZ 3.89Å; L110-F141 HydrophobicContact CD1-CZ 4.11Å; L110-F141 HydrophobicContact CD2-CD2 3.87Å; L110-F141 HydrophobicContact CD2-CE1 4.18Å; L110-F141 HydrophobicContact CD2-CE2 3.13Å; L110-F141 HydrophobicContact CD2-CZ 3.33Å; L110-F141 HydrophobicContact CG-CD1 4.41Å; L110-F141 HydrophobicContact CG-CD2 4.34Å; L110-F141 HydrophobicContact CG-CE1 3.78Å; L110-F141 HydrophobicContact CG-CE2 3.7Å; L110-F141 HydrophobicContact CG-CZ 3.39Å; L110-F141 PolarHBondContact O-N 3.38Å; M112-F141 HydrophobicContact CB-CE1 4.46Å; M112-F141 HydrophobicContact CG-CD1 3.76Å; M112-F141 HydrophobicContact CG-CE1 3.72Å; M112-F141 HydrophobicContact SD-CD1 3.91Å; M112-F141 HydrophobicContact SD-CE1 3.35Å; M112-F141 WeakPolarHBondContact SD-CE1 3.31Å; M112-F141 HydrophobicContact SD-CZ 3.79Å; F124-F141 HydrophobicContact CB-CE1 4.47Å; F124-F141 HydrophobicContact CB-CZ 4.28Å; V139-F141 HydrophobicContact CG1-CB 4.47Å
142	G	98.6	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-177.2	173.5	0	0	0	0	0	113.7	E30 F32 L110	E30-G142 CarbonylContact O-C 3.48Å; E30-G142 WeakPolarHBondContact O-CA 3.31Å; F32-G142 VanDerWaalsContact CD2-N 3.3Å; F32-G142 VanDerWaalsContact CE2-C 3.46Å; F32-G142 VanDerWaalsContact CE2-CA 3.48Å; F32-G142 WeakPolarHBondContact CE2-O 3.32Å; L110-G142 PolarHBondContact N-O 2.86Å; L110-G142 PolarHBondContact O-N 3.03Å
143	K	98.4	Very high	98.2	Very high	41 Å²	41	41.8 Å²	41.8	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.9	172.5	67.3	-179.5	176.9	-178.2	0	112.4	Q4 S6 V29 E30 F32 G108 L109 V145	Q4-K143 PolarHBondContact O-NZ 3.11Å; S6-K143 WeakPolarHBondContact OG-CE 3.25Å; S6-K143 PolarHBondContact OG-NZ 3.17Å; V29-K143 CarbonylContact C-O 3.51Å; V29-K143 WeakPolarHBondContact CA-O 3.3Å; V29-K143 WeakPolarHBondContact CG1-O 3.41Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 2.88Å; E30-K143 PolarHBondContact O-N 2.65Å; E30-K143 WeakPolarHBondContact OE2-CE 3.5Å; E30-K143 IonicContact OE2-NZ 2.73Å; F32-K143 HydrophobicContact CE1-CB 4.42Å; F32-K143 HydrophobicContact CE1-CD 4.15Å; F32-K143 HydrophobicContact CE1-CG 3.88Å; F32-K143 HydrophobicContact CZ-CB 3.85Å; F32-K143 HydrophobicContact CZ-CD 4.03Å; F32-K143 HydrophobicContact CZ-CG 3.78Å; G108-K143 CarbonylContact O-C 3.51Å; G108-K143 VanDerWaalsContact O-CA 3.28Å; G108-K143 WeakPolarHBondContact O-CA 3.28Å; L109-K143 HydrophobicContact CD2-CB 3.99Å; K143-V145 HydrophobicContact CG-CG1 4.16Å; K143-V145 PolarHBondContact O-N 3.49Å
144	V	98.3	Very high	98.2	Very high	6 Å²	6	35 Å²	35	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.6	169.8	-178.1	0	0	0	0	108.8	K28 V29 G108 I126 D146 L148	K28-V144 WeakPolarHBondContact O-CA 3.33Å; V29-V144 HydrophobicContact CG2-CG2 4.39Å; G108-V144 PolarHBondContact O-N 3.26Å; I126-V144 HydrophobicContact CD1-CG2 4.37Å; I126-V144 HydrophobicContact CG2-CG2 4.03Å; V144-D146 WeakPolarHBondContact CG1-O 3.34Å; V144-L148 HydrophobicContact CB-CD2 4.06Å; V144-L148 HydrophobicContact CG1-CD2 4.06Å; V144-L148 HydrophobicContact CG1-CG 4.09Å
145	V	97.6	Very high	98.2	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-23.6	178.1	-70.9	0	0	0	0	112.7	V3 I12 K28 E30 K143	V3-V145 PolarHBondContact N-O 2.76Å; V3-V145 WeakPolarHBondContact O-CB 3.42Å; I12-V145 HydrophobicContact CD1-CG2 4.48Å; I12-V145 HydrophobicContact CG2-CG2 4.49Å; K28-V145 HydrophobicContact CB-CG2 3.9Å; K28-V145 WeakPolarHBondContact O-CG2 3.35Å; K28-V145 PolarHBondContact O-N 3Å; E30-V145 HydrophobicContact CB-CG1 3.78Å; K143-V145 HydrophobicContact CG-CG1 4.16Å; K143-V145 PolarHBondContact O-N 3.49Å
146	D	97.8	Very high	98.3	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.9	175.6	-169.8	2.2	0	0	0	109.1	N2 M27 K28 V144	N2-D146 PolarHBondContact OD1-OD1 2.83Å; M27-D146 WeakPolarHBondContact CA-O 3.37Å; K28-D146 HydrophobicContact CB-CB 3.91Å; K28-D146 HydrophobicContact CD-CB 3.86Å; K28-D146 WeakPolarHBondContact CE-OD2 3.29Å; K28-D146 HydrophobicContact CG-CB 4.02Å; K28-D146 PolarHBondContact N-O 3.25Å; K28-D146 IonicContact NZ-OD2 2.83Å; K28-D146 PolarHBondContact NZ-OD2 3.16Å; K28-D146 PolarHBondContact O-N 2.97Å; V144-D146 WeakPolarHBondContact CG1-O 3.34Å
147	G	97.1	Very high	98.3	Very high	10 Å²	10	35.4 Å²	35.4	10%	0.103	17%	0.173	C	C	.	.			trans	84.6	23.2	-179.8	0	0	0	0	0	115.9	R26 L149 V150 M151	R26-G147 WeakPolarHBondContact O-CA 3.24Å; G147-L149 PolarHBondContact O-N 3.23Å; G147-L149 VanDerWaalsContact O-N 3.1Å; G147-V150 WeakPolarHBondContact O-CA 3.48Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.96Å; G147-M151 PolarHBondContact O-N 3.15Å
148	L	96.6	Very high	98.3	Very high	63 Å²	63	33.3 Å²	33.3	33%	0.33	17%	0.171	S	C	.	.	H	α-helix	trans	-52.2	-32.5	170.3	-80.2	171.8	0	0	0	112.7	V144 V150 M151 R152	V144-L148 HydrophobicContact CB-CD2 4.06Å; V144-L148 HydrophobicContact CG1-CD2 4.06Å; V144-L148 HydrophobicContact CG1-CG 4.09Å; L148-V150 VanDerWaalsContact C-N 3.3Å; L148-V150 PolarHBondContact O-N 2.78Å; L148-M151 HydrophobicContact CD2-CE 3.26Å; L148-M151 WeakPolarHBondContact O-CB 3.28Å; L148-M151 PolarHBondContact O-N 2.84Å; L148-R152 WeakPolarHBondContact O-CG 3.21Å; L148-R152 PolarHBondContact O-N 2.89Å
149	L	97.8	Very high	98.3	Very high	122 Å²	122	34 Å²	34	64%	0.639	18%	0.178	S	C	*	.	H	α-helix	trans	-62.2	-36.7	174.7	-177.8	63.3	0	0	0	112.1	G147 R152 K153	G147-L149 PolarHBondContact O-N 3.23Å; G147-L149 VanDerWaalsContact O-N 3.1Å; L149-R152 PolarHBondContact O-N 3.48Å; L149-K153 WeakPolarHBondContact O-CG 3.2Å; L149-K153 PolarHBondContact O-N 2.87Å
150	V	98.5	Very high	98.2	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.055	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-45.3	176.3	-179.3	0	0	0	0	109.8	V17 V24 M27 G147 L148 R152 K153 I154	V17-V150 HydrophobicContact CB-CG1 3.97Å; V17-V150 HydrophobicContact CG2-CG1 4.06Å; V24-V150 HydrophobicContact CG2-CG1 4.04Å; M27-V150 HydrophobicContact CG-CB 3.62Å; M27-V150 HydrophobicContact CG-CG1 3.76Å; M27-V150 HydrophobicContact CG-CG2 4.41Å; M27-V150 HydrophobicContact SD-CB 4.23Å; M27-V150 HydrophobicContact SD-CG1 4.18Å; G147-V150 WeakPolarHBondContact O-CA 3.48Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.96Å; L148-V150 VanDerWaalsContact C-N 3.3Å; L148-V150 PolarHBondContact O-N 2.78Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 2.87Å; V150-K153 WeakPolarHBondContact O-CB 3.44Å; V150-K153 PolarHBondContact O-N 2.84Å; V150-I154 HydrophobicContact CG1-CD1 4.4Å; V150-I154 WeakPolarHBondContact O-CG1 3.44Å; V150-I154 PolarHBondContact O-N 3.25Å
151	M	98.3	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-42.8	173.3	179.2	-103.8	-64.5	0	0	111.9	M27 I74 I126 G147 L148 K153 I154 E155	M27-M151 HydrophobicContact SD-CB 3.77Å; I74-M151 HydrophobicContact CD1-CB 4.38Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.42Å; I126-M151 HydrophobicContact CG2-CG 4.08Å; G147-M151 PolarHBondContact O-N 3.15Å; L148-M151 HydrophobicContact CD2-CE 3.26Å; L148-M151 WeakPolarHBondContact O-CB 3.28Å; L148-M151 PolarHBondContact O-N 2.84Å; M151-K153 PolarHBondContact O-N 3.31Å; M151-I154 WeakPolarHBondContact O-CB 3.28Å; M151-I154 PolarHBondContact O-N 2.97Å; M151-E155 WeakPolarHBondContact O-CB 3.4Å; M151-E155 PolarHBondContact O-N 3.45Å
152	R	98.4	Very high	98	Very high	83 Å²	83	47.4 Å²	47.4	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-34.3	174.7	-65.9	-59	-176.7	-174.2	-5	113.2	C128 L148 L149 V150 E155 N156	C128-R152 PolarHBondContact O-NH1 2.83Å; C128-R152 PolarHBondContact O-NH2 3.47Å; L148-R152 WeakPolarHBondContact O-CG 3.21Å; L148-R152 PolarHBondContact O-N 2.89Å; L149-R152 PolarHBondContact O-N 3.48Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 2.87Å; R152-E155 WeakPolarHBondContact CD-OE2 3.38Å; R152-E155 IonicContact CZ-OE2 3.54Å; R152-E155 IonicContact NE-OE2 3.55Å; R152-E155 VanDerWaalsContact NH1-CD 3.32Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.72Å; R152-E155 IonicContact NH1-OE2 3.72Å; R152-E155 PolarHBondContact NH1-OE2 2.86Å; R152-E155 PolarHBondContact O-N 3.2Å; R152-N156 PolarHBondContact O-N 2.8Å; R152-N156 PolarHBondContact O-ND2 3.49Å
153	K	98.6	Very high	97.9	Very high	91 Å²	91	50.2 Å²	50.2	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-44.9	172.3	-71.8	176.8	-175.6	179.8	0	111	I19 V24 L149 V150 M151 N156	I19-K153 HydrophobicContact CD1-CB 4.23Å; V24-K153 HydrophobicContact CB-CD 3.99Å; V24-K153 PolarHBondContact O-NZ 3.27Å; L149-K153 WeakPolarHBondContact O-CG 3.2Å; L149-K153 PolarHBondContact O-N 2.87Å; V150-K153 WeakPolarHBondContact O-CB 3.44Å; V150-K153 PolarHBondContact O-N 2.84Å; M151-K153 PolarHBondContact O-N 3.31Å; K153-N156 PolarHBondContact O-N 3.03Å
154	I	98.6	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-49.8	176	-62.8	168.7	0	0	0	110.2	V17 I19 M27 F65 V68 I74 V150 M151 N156 V157 I169	V17-I154 HydrophobicContact CG1-CD1 3.96Å; V17-I154 HydrophobicContact CG1-CG1 4.16Å; V17-I154 HydrophobicContact CG2-CD1 4.29Å; I19-I154 HydrophobicContact CD1-CG1 4.4Å; M27-I154 HydrophobicContact CE-CD1 3.97Å; M27-I154 HydrophobicContact SD-CD1 4.34Å; F65-I154 HydrophobicContact CD2-CD1 4.35Å; F65-I154 HydrophobicContact CE2-CD1 4.03Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.26Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; I74-I154 HydrophobicContact CB-CG2 4.06Å; I74-I154 HydrophobicContact CD1-CB 4.08Å; I74-I154 HydrophobicContact CD1-CD1 3.94Å; I74-I154 HydrophobicContact CD1-CG2 3.77Å; I74-I154 HydrophobicContact CG2-CG2 3.73Å; V150-I154 HydrophobicContact CG1-CD1 4.4Å; V150-I154 WeakPolarHBondContact O-CG1 3.44Å; V150-I154 PolarHBondContact O-N 3.25Å; M151-I154 WeakPolarHBondContact O-CB 3.28Å; M151-I154 PolarHBondContact O-N 2.97Å; I154-N156 PolarHBondContact O-N 3.02Å; I154-V157 WeakPolarHBondContact O-CB 3.49Å; I154-V157 WeakPolarHBondContact O-CG2 3.45Å; I154-V157 PolarHBondContact O-N 2.81Å; I154-V157 VanDerWaalsContact O-N 3.12Å; I154-I169 HydrophobicContact CB-CD1 4.5Å; I154-I169 HydrophobicContact CD1-CG2 4.33Å; I154-I169 HydrophobicContact CG1-CG2 3.95Å; I154-I169 HydrophobicContact CG2-CD1 3.72Å; I154-I169 HydrophobicContact CG2-CG2 4.12Å
155	E	98.7	Very high	97.9	Very high	4 Å²	4	55 Å²	55	2%	0.019	30%	0.298	C	S	.	.	H	α-helix	trans	-56	-34.3	-178.9	-177.4	-169.9	-161.4	0	0	113.4	K70 D71 I74 C128 M151 R152	K70-E155 HydrophobicContact CB-CG 4.42Å; K70-E155 HydrophobicContact CG-CG 4.24Å; D71-E155 PolarHBondContact N-OE1 2.9Å; I74-E155 HydrophobicContact CG2-CB 4.41Å; C128-E155 HydrophobicContact CB-CG 4.19Å; C128-E155 WeakPolarHBondContact CB-OE1 3.47Å; M151-E155 WeakPolarHBondContact O-CB 3.4Å; M151-E155 PolarHBondContact O-N 3.45Å; R152-E155 WeakPolarHBondContact CD-OE2 3.38Å; R152-E155 IonicContact CZ-OE2 3.54Å; R152-E155 IonicContact NE-OE2 3.55Å; R152-E155 VanDerWaalsContact NH1-CD 3.32Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.72Å; R152-E155 IonicContact NH1-OE2 3.72Å; R152-E155 PolarHBondContact NH1-OE2 2.86Å; R152-E155 PolarHBondContact O-N 3.2Å
156	N	98.5	Very high	98	Very high	90 Å²	90	61.7 Å²	61.7	48%	0.481	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.1	-176.7	-70.7	-72.8	0	0	0	113.8	K70 R152 K153 I154	K70-N156 PolarHBondContact NZ-OD1 3.44Å; R152-N156 PolarHBondContact O-N 2.8Å; R152-N156 PolarHBondContact O-ND2 3.49Å; K153-N156 PolarHBondContact O-N 3.03Å; I154-N156 PolarHBondContact O-N 3.02Å
157	V	98.2	Very high	98	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.079	34%	0.336	C	S	.	.	S	Bend	trans	-67.1	137.1	174.9	173.3	0	0	0	0	110.3	I19 I154 T159 P165 L167 I169	I19-V157 HydrophobicContact CD1-CG2 3.76Å; I19-V157 HydrophobicContact CG1-CG2 4.48Å; I19-V157 HydrophobicContact CG2-CG2 3.85Å; I154-V157 WeakPolarHBondContact O-CB 3.49Å; I154-V157 WeakPolarHBondContact O-CG2 3.45Å; I154-V157 PolarHBondContact O-N 2.81Å; I154-V157 VanDerWaalsContact O-N 3.12Å; V157-T159 PolarHBondContact O-N 3.35Å; V157-P165 HydrophobicContact CG1-CB 4.09Å; V157-L167 HydrophobicContact CG1-CB 4.4Å; V157-I169 HydrophobicContact CB-CD1 3.94Å; V157-I169 HydrophobicContact CG1-CD1 4.11Å; V157-I169 HydrophobicContact CG2-CD1 3.73Å; V157-I169 HydrophobicContact CG2-CG1 4.36Å
158	P	98.3	Very high	98	Very high	79 Å²	79	66.7 Å²	66.7	51%	0.513	36%	0.355	S	S	.	.			trans	-58	130	173.6	-25.3	34.6	0	0	0	112.2	K166	P158-K166 HydrophobicContact CB-CD 4.12Å; P158-K166 WeakPolarHBondContact O-CB 3.13Å; P158-K166 PolarHBondContact O-N 2.79Å
159	T	98.6	Very high	98.1	Very high	47 Å²	47	63.7 Å²	63.7	29%	0.288	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-110.4	157.9	178.3	60.6	0	0	0	0	112.4	V68 V157 K164 K166	V68-T159 HydrophobicContact CB-CG2 4.03Å; V68-T159 HydrophobicContact CG1-CG2 4.26Å; V68-T159 WeakPolarHBondContact O-CG2 3.46Å; V157-T159 PolarHBondContact O-N 3.35Å; T159-K164 CarbonylContact C-O 3.56Å; T159-K164 VanDerWaalsContact CA-O 3.32Å; T159-K164 WeakPolarHBondContact CA-O 3.18Å; T159-K166 WeakPolarHBondContact O-CE 3.23Å
160	G	98	Very high	98.1	Very high	23 Å²	23	60.4 Å²	60.4	24%	0.237	32%	0.322	C	S	.	.			trans	-108.8	-155.6	172.5	0	0	0	0	0	111.9	N163 K164	G160-N163 PolarHBondContact O-N 3.4Å; G160-N163 VanDerWaalsContact O-N 3.13Å; G160-K164 PolarHBondContact N-O 2.85Å
161	P	97.2	Very high	98.1	Very high	116 Å²	116	60 Å²	60	75%	0.753	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-50.3	145.6	174.1	-26.8	35.4	0	0	0	112.6	N163 K164	P161-N163 PolarHBondContact O-N 3.26Å; P161-N163 VanDerWaalsContact O-N 3.12Å; P161-K164 PolarHBondContact O-N 3.31Å
162	N	95.3	Very high	98.1	Very high	144 Å²	144	62 Å²	62	77%	0.77	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	57.5	18.8	-176	-61.5	-24.8	0	0	0	115.2	K164	N162-K164 PolarHBondContact O-N 3.07Å
163	N	98.2	Very high	98.1	Very high	60 Å²	60	61.7 Å²	61.7	32%	0.321	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	61.6	27.5	-176.7	-60.8	-67.8	0	0	0	113.4	R67 V68 I69 G160 P161	R67-N163 HydrophobicContact CG-CB 4.33Å; V68-N163 PolarHBondContact N-O 2.8Å; V68-N163 WeakPolarHBondContact O-CB 3.38Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.69Å; G160-N163 PolarHBondContact O-N 3.4Å; G160-N163 VanDerWaalsContact O-N 3.13Å; P161-N163 PolarHBondContact O-N 3.26Å; P161-N163 VanDerWaalsContact O-N 3.12Å
164	K	98.2	Very high	98.1	Very high	130 Å²	130	57.9 Å²	57.9	57%	0.565	32%	0.323	S	S	*	.			trans	-73.8	128.7	173.2	-176.4	170.4	-178.7	169.3	0	109.8	T159 G160 P161 N162 K166	T159-K164 CarbonylContact C-O 3.56Å; T159-K164 VanDerWaalsContact CA-O 3.32Å; T159-K164 WeakPolarHBondContact CA-O 3.18Å; G160-K164 PolarHBondContact N-O 2.85Å; P161-K164 PolarHBondContact O-N 3.31Å; N162-K164 PolarHBondContact O-N 3.07Å; K164-K166 PolarHBondContact O-N 3.04Å
165	P	98.3	Very high	98.1	Very high	16 Å²	16	58.3 Å²	58.3	10%	0.104	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-55.7	136.3	174.7	-29	38.3	0	0	0	112.8	F65 V68 V157 L167 I169	F65-P165 WeakPolarHBondContact O-CG 3.3Å; V68-P165 HydrophobicContact CB-CG 4.04Å; V68-P165 HydrophobicContact CG2-CG 3.56Å; V157-P165 HydrophobicContact CG1-CB 4.09Å; P165-L167 VanDerWaalsContact C-N 3.33Å; P165-L167 VanDerWaalsContact CB-O 3.26Å; P165-L167 WeakPolarHBondContact CB-O 3.3Å; P165-I169 HydrophobicContact CB-CD1 3.92Å; P165-I169 HydrophobicContact CB-CG1 4.09Å; P165-I169 HydrophobicContact CG-CD1 3.79Å; P165-I169 HydrophobicContact CG-CG1 4.29Å
166	K	98.2	Very high	98.1	Very high	151 Å²	151	61.9 Å²	61.9	66%	0.657	34%	0.344	S	S	*	.	S	Bend	trans	-72.7	-29.4	174.5	-69.6	-177.1	173.7	174.8	0	112.3	P158 T159 K164	P158-K166 HydrophobicContact CB-CD 4.12Å; P158-K166 WeakPolarHBondContact O-CB 3.13Å; P158-K166 PolarHBondContact O-N 2.79Å; T159-K166 WeakPolarHBondContact O-CE 3.23Å; K164-K166 PolarHBondContact O-N 3.04Å
167	L	97.7	Very high	97.9	Very high	83 Å²	83	64 Å²	64	44%	0.435	35%	0.353	S	S	.	.	S	Bend	trans	-104.6	135.6	172.9	-63	175.5	0	0	0	108.7	I19 V157 P165 I169	I19-L167 HydrophobicContact CG2-CB 4.25Å; I19-L167 HydrophobicContact CG2-CD1 4.32Å; V157-L167 HydrophobicContact CG1-CB 4.4Å; P165-L167 VanDerWaalsContact C-N 3.33Å; P165-L167 VanDerWaalsContact CB-O 3.26Å; P165-L167 WeakPolarHBondContact CB-O 3.3Å; L167-I169 PolarHBondContact O-N 3.12Å
168	P	97.4	Very high	97.9	Very high	76 Å²	76	66.6 Å²	66.6	49%	0.494	37%	0.367	S	S	.	.			trans	-57.3	130.8	174.2	-23.9	33.4	0	0	0	111	I19 G20 L170	I19-P168 CarbonylContact C-O 3.6Å; I19-P168 WeakPolarHBondContact CA-O 3.46Å; G20-P168 PolarHBondContact N-O 2.59Å; P168-L170 HydrophobicContact CB-CD1 4.39Å
169	I	98.6	Very high	97.9	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109	173	-50.7	179.8	0	0	0	106.5	V17 T18 I19 T64 F65 V68 I154 V157 P165 L167	V17-I169 HydrophobicContact CG1-CG2 3.81Å; T18-I169 CarbonylContact O-C 3.45Å; T18-I169 WeakPolarHBondContact O-CA 3.36Å; I19-I169 HydrophobicContact CG1-CG1 4.39Å; I19-I169 HydrophobicContact CG1-CG2 4.22Å; T64-I169 CarbonylContact C-O 3.53Å; T64-I169 WeakPolarHBondContact CA-O 3.24Å; T64-I169 WeakPolarHBondContact CB-O 3.35Å; F65-I169 HydrophobicContact CB-CB 4.15Å; F65-I169 HydrophobicContact CB-CG2 4.17Å; F65-I169 HydrophobicContact CD2-CB 4.4Å; F65-I169 HydrophobicContact CD2-CG2 3.65Å; F65-I169 HydrophobicContact CE2-CG2 4.5Å; F65-I169 HydrophobicContact CG-CG2 4.26Å; F65-I169 PolarHBondContact N-O 3.42Å; V68-I169 HydrophobicContact CG2-CD1 4.01Å; I154-I169 HydrophobicContact CB-CD1 4.5Å; I154-I169 HydrophobicContact CD1-CG2 4.33Å; I154-I169 HydrophobicContact CG1-CG2 3.95Å; I154-I169 HydrophobicContact CG2-CD1 3.72Å; I154-I169 HydrophobicContact CG2-CG2 4.12Å; V157-I169 HydrophobicContact CB-CD1 3.94Å; V157-I169 HydrophobicContact CG1-CD1 4.11Å; V157-I169 HydrophobicContact CG2-CD1 3.73Å; V157-I169 HydrophobicContact CG2-CG1 4.36Å; P165-I169 HydrophobicContact CB-CD1 3.92Å; P165-I169 HydrophobicContact CB-CG1 4.09Å; P165-I169 HydrophobicContact CG-CD1 3.79Å; P165-I169 HydrophobicContact CG-CG1 4.29Å; L167-I169 PolarHBondContact O-N 3.12Å
170	L	98.4	Very high	97.9	Very high	53 Å²	53	67 Å²	67	28%	0.277	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.2	-171	-72.6	153.7	0	0	0	110.8	V17 T18 G62 C63 T64 P168 A172	V17-L170 WeakPolarHBondContact CA-O 3.37Å; T18-L170 PolarHBondContact N-O 3.46Å; T18-L170 PolarHBondContact O-N 3.36Å; G62-L170 VanDerWaalsContact O-CD2 3.3Å; G62-L170 WeakPolarHBondContact O-CD2 3.13Å; C63-L170 WeakPolarHBondContact O-CA 3.32Å; T64-L170 HydrophobicContact CG2-CD2 3.45Å; T64-L170 VanDerWaalsContact CG2-CD2 3.45Å; T64-L170 HydrophobicContact CG2-CG 4.1Å; P168-L170 HydrophobicContact CB-CD1 4.39Å; L170-A172 PolarHBondContact O-N 3.32Å
171	I	98.8	Very high	97.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	90	162.4	-58.2	171.6	0	0	0	106.4	F15 D16 F60 G62 C63 F65 F124 Q173 C174	F15-I171 HydrophobicContact CB-CG2 4.13Å; F15-I171 HydrophobicContact CD1-CD1 4.22Å; F15-I171 HydrophobicContact CD1-CG2 3.61Å; F15-I171 HydrophobicContact CD2-CD1 4.39Å; F15-I171 HydrophobicContact CE1-CD1 4.2Å; F15-I171 HydrophobicContact CE1-CG2 4.28Å; F15-I171 HydrophobicContact CE2-CD1 4.36Å; F15-I171 HydrophobicContact CG-CD1 4.32Å; F15-I171 HydrophobicContact CG-CG1 4.44Å; F15-I171 HydrophobicContact CG-CG2 4.07Å; F15-I171 HydrophobicContact CZ-CD1 4.25Å; D16-I171 CarbonylContact O-C 3.6Å; F60-I171 HydrophobicContact CB-CD1 4.05Å; F60-I171 WeakPolarHBondContact O-CB 3.4Å; G62-I171 PolarHBondContact N-O 2.9Å; C63-I171 PolarHBondContact O-N 3.17Å; F65-I171 HydrophobicContact CD2-CG1 4.5Å; F65-I171 HydrophobicContact CE2-CD1 4.23Å; F65-I171 HydrophobicContact CE2-CG1 3.82Å; F65-I171 HydrophobicContact CZ-CD1 4.46Å; F65-I171 HydrophobicContact CZ-CG1 4.46Å; F124-I171 HydrophobicContact CZ-CD1 4.21Å; I171-Q173 VanDerWaalsContact C-N 3.33Å; I171-C174 HydrophobicContact CG2-CB 3.85Å
172	A	98.6	Very high	97.9	Very high	43 Å²	43	66.7 Å²	66.7	36%	0.355	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-36	-175.1	0	0	0	0	0	112.2	D16 T18 L170	D16-A172 PolarHBondContact O-N 3.23Å; T18-A172 HydrophobicContact CG2-CB 3.79Å; L170-A172 PolarHBondContact O-N 3.32Å
173	Q	98.6	Very high	98.1	Very high	75 Å²	75	61.5 Å²	61.5	35%	0.35	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.8	173.4	-179.8	63.6	-63.7	0	0	110.2	F14 D16 I171	F14-Q173 HydrophobicContact CE2-CG 4Å; F14-Q173 HydrophobicContact CZ-CG 4.32Å; D16-Q173 HydrophobicContact CB-CB 4.03Å; D16-Q173 PolarHBondContact N-O 2.9Å; D16-Q173 PolarHBondContact O-N 3.49Å; I171-Q173 VanDerWaalsContact C-N 3.33Å
174	C	98.8	Very high	98.1	Very high	12 Å²	12	61.6 Å²	61.6	8%	0.081	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.4	175.1	61	0	0	0	0	111.2	F14 F15 C47 K61 I171	F14-C174 WeakPolarHBondContact O-CA 3.42Å; F14-C174 WeakPolarHBondContact O-CB 3.1Å; F15-C174 HydrophobicContact CD1-CB 3.57Å; F15-C174 HydrophobicContact CE1-CB 3.89Å; C47-C174 CarbonylContact O-C 3.25Å; C47-C174 VanDerWaalsContact O-C 3.32Å; C47-C174 PolarHBondContact O-SG 2.96Å; K61-C174 PolarHBondContact N-SG 3.18Å; I171-C174 HydrophobicContact CG2-CB 3.85Å
175	G	98.6	Very high	98.1	Very high	9 Å²	9	56.4 Å²	56.4	9%	0.093	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-168.2	179.2	0	0	0	0	0	111.9	V13 F14 C47	V13-G175 CarbonylContact C-O 2.88Å; V13-G175 VanDerWaalsContact CA-O 3.22Å; V13-G175 WeakPolarHBondContact CA-O 3.49Å; V13-G175 VanDerWaalsContact CB-O 3.28Å; V13-G175 WeakPolarHBondContact CB-O 3.33Å; F14-G175 WeakPolarHBondContact CD1-O 3.47Å; F14-G175 PolarHBondContact N-O 2.98Å; F14-G175 PolarHBondContact O-N 3.07Å; C47-G175 WeakPolarHBondContact O-CA 3.46Å; C47-G175 PolarHBondContact O-N 3.31Å
176	E	98.3	Very high	98	Very high	78 Å²	78	59.8 Å²	59.8	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.9	172.1	-170	168.4	-172.8	0	0	109.6	V13 R44 T48	V13-E176 HydrophobicContact CG1-CB 4.49Å; R44-E176 VanDerWaalsContact CD-OE2 3.28Å; R44-E176 WeakPolarHBondContact CD-OE2 3.21Å; R44-E176 IonicContact CZ-OE2 2.87Å; R44-E176 IonicContact NE-OE2 3.63Å; R44-E176 IonicContact NH1-OE2 2.84Å; R44-E176 PolarHBondContact NH1-OE2 2.77Å; T48-E176 HydrophobicContact CG2-CB 3.75Å
177	M	94.7	Very high	98	Very high	136 Å²	136	51.5 Å²	51.5	67%	0.67	28%	0.284	S	S	*	.			trans	-88.1	0	-177	-69.5	-64.9	-47.9	0	0	113	I12 F14 K28	I12-M177 HydrophobicContact CB-CB 4.14Å; I12-M177 HydrophobicContact CB-CG 4.3Å; I12-M177 HydrophobicContact CG2-CB 4.11Å; I12-M177 HydrophobicContact CG2-CG 3.74Å; I12-M177 WeakPolarHBondContact O-CB 3.47Å; I12-M177 PolarHBondContact O-N 3.12Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4Å; F14-M177 HydrophobicContact CD1-CG 4.18Å; F14-M177 HydrophobicContact CD1-SD 3.61Å; F14-M177 HydrophobicContact CE1-SD 4.42Å; F14-M177 HydrophobicContact CG-SD 4.03Å; K28-M177 HydrophobicContact CD-SD 4.49Å

Retrieved 177 of 177 residues in 220.9 ms (Link to these results)

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