B5XCH2_SALSA Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession B5XCH2, Species SALSA (Salmo salar, Atlantic salmon), Gene NDUAC, Length 144 aa.

						>B5XCH2_SALSA|B5XCH2|NDUAC
MAEYIHVVRRALGQLGGHGGVKGLFVQLFRANDVKTGALIGVDKYGNKYFEDTRYFFGRHRWVIYTTEMNGKNTMWEVDGSMVPAEWHRWLHCMTDNPPTTHPPTPKKFLAEVHQFNVSGSAQAYVPYSTTRKKIHEWVPPKAQ
					

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	62.3	Low	85.5	Confident	190 Å²	190	127.1 Å²	127.1	94%	0.936	62%	0.623	S	S	*	*				0	-53.8	0	-99.7	-86.5	-92.3	0	0	112.1	E3 Y4	M1-E3 PolarHBondContact O-N 3.42Å; M1-Y4 PolarHBondContact O-N 2.57Å
2	A	74.1	Confident	85.9	Confident	66 Å²	66	126.1 Å²	126.1	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-60.2	-38.5	179.9	0	0	0	0	0	115	Y4 I5 H6	A2-Y4 PolarHBondContact O-N 3.45Å; A2-I5 WeakPolarHBondContact O-CB 3.09Å; A2-I5 PolarHBondContact O-N 3.33Å; A2-H6 PolarHBondContact O-CD2 3.31Å
3	E	84.3	Confident	86.2	Confident	158 Å²	158	119.8 Å²	119.8	74%	0.738	61%	0.609	S	S	*	*	H	α-helix	trans	-65.4	-38	-179.7	-63.4	-147.6	145.7	0	0	113.9	M1 I5 H6 V7	M1-E3 PolarHBondContact O-N 3.42Å; E3-I5 PolarHBondContact O-N 2.81Å; E3-H6 WeakPolarHBondContact O-CB 3.28Å; E3-H6 PolarHBondContact O-N 3.43Å; E3-H6 VanDerWaalsContact O-N 3.1Å; E3-V7 PolarHBondContact O-N 3.13Å
4	Y	89.4	Confident	86.5	Confident	177 Å²	177	113.3 Å²	113.3	69%	0.694	58%	0.575	S	S	*	*	H	α-helix	trans	-63.2	-32.6	177.2	-66.1	-74.3	0	0	0	112.2	M1 A2 H6 V7 V8	M1-Y4 PolarHBondContact O-N 2.57Å; A2-Y4 PolarHBondContact O-N 3.45Å; Y4-H6 VanDerWaalsContact C-N 3.3Å; Y4-H6 PolarHBondContact O-N 2.58Å; Y4-V7 PolarHBondContact O-N 2.95Å; Y4-V8 WeakPolarHBondContact O-CG2 3.4Å; Y4-V8 PolarHBondContact O-N 2.68Å
5	I	91.6	Very high	86.7	Confident	109 Å²	109	110.1 Å²	110.1	56%	0.559	56%	0.559	S	S	*	*	H	α-helix	trans	-63.2	-39.5	175.8	-62.3	171.8	0	0	0	110.4	A2 E3 V8 R9	A2-I5 WeakPolarHBondContact O-CB 3.09Å; A2-I5 PolarHBondContact O-N 3.33Å; E3-I5 PolarHBondContact O-N 2.81Å; I5-V8 PolarHBondContact O-N 2.99Å; I5-R9 VanDerWaalsContact O-CB 3.27Å; I5-R9 WeakPolarHBondContact O-CB 3.49Å; I5-R9 PolarHBondContact O-N 2.97Å
6	H	88.2	Confident	86.9	Confident	126 Å²	126	106.6 Å²	106.6	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-66.3	-39.3	175.7	-67.2	-70.5	0	0	0	112.3	A2 E3 Y4 R9 R10	A2-H6 PolarHBondContact O-CD2 3.31Å; E3-H6 WeakPolarHBondContact O-CB 3.28Å; E3-H6 PolarHBondContact O-N 3.43Å; E3-H6 VanDerWaalsContact O-N 3.1Å; Y4-H6 VanDerWaalsContact C-N 3.3Å; Y4-H6 PolarHBondContact O-N 2.58Å; H6-R9 PolarHBondContact O-N 3.18Å; H6-R10 WeakPolarHBondContact O-CB 3.37Å; H6-R10 PolarHBondContact O-N 3.2Å
7	V	90	Very high	86.9	Confident	96 Å²	96	103.7 Å²	103.7	58%	0.582	56%	0.561	S	S	*	*	H	α-helix	trans	-63.7	-46.9	175.7	177.6	0	0	0	0	111	E3 Y4 R10 A11	E3-V7 PolarHBondContact O-N 3.13Å; Y4-V7 PolarHBondContact O-N 2.95Å; V7-R10 WeakPolarHBondContact O-CB 2.98Å; V7-R10 PolarHBondContact O-N 3.22Å; V7-A11 PolarHBondContact O-N 2.93Å
8	V	91.3	Very high	87.1	Confident	85 Å²	85	100.1 Å²	100.1	52%	0.515	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-44.2	177.5	173	0	0	0	0	111	Y4 I5 R10 A11 L12	Y4-V8 WeakPolarHBondContact O-CG2 3.4Å; Y4-V8 PolarHBondContact O-N 2.68Å; I5-V8 PolarHBondContact O-N 2.99Å; V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 3.31Å; V8-A11 PolarHBondContact O-N 3.12Å; V8-L12 HydrophobicContact CG1-CD1 4.09Å; V8-L12 HydrophobicContact CG1-CG 4.44Å; V8-L12 WeakPolarHBondContact O-CG 3.15Å; V8-L12 PolarHBondContact O-N 2.68Å
9	R	91.3	Very high	87.2	Confident	191 Å²	191	98.5 Å²	98.5	72%	0.721	55%	0.55	S	S	*	.	H	α-helix	trans	-60.4	-39.6	176.3	-174.4	176.8	178.9	177.9	-0.4	111.9	I5 H6 G13	I5-R9 VanDerWaalsContact O-CB 3.27Å; I5-R9 WeakPolarHBondContact O-CB 3.49Å; I5-R9 PolarHBondContact O-N 2.97Å; H6-R9 PolarHBondContact O-N 3.18Å; R9-G13 PolarHBondContact O-N 3.4Å
10	R	88.8	Confident	87.5	Confident	149 Å²	149	94.7 Å²	94.7	56%	0.562	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-44.8	174.6	178.2	-179.3	168.2	174.3	1.4	111.5	H6 V7 V8 G13 Q14 Y55	H6-R10 WeakPolarHBondContact O-CB 3.37Å; H6-R10 PolarHBondContact O-N 3.2Å; V7-R10 WeakPolarHBondContact O-CB 2.98Å; V7-R10 PolarHBondContact O-N 3.22Å; V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 3.31Å; R10-G13 CarbonylContact O-C 3.57Å; R10-G13 WeakPolarHBondContact O-CA 3.36Å; R10-G13 PolarHBondContact O-N 3.16Å; R10-Q14 WeakPolarHBondContact O-CG 3.27Å; R10-Q14 PolarHBondContact O-N 3.04Å; R10-Y55 PolarHBondContact NH2-OH 3.42Å
11	A	88.8	Confident	87.8	Confident	51 Å²	51	94 Å²	94	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.8	0	0	0	0	0	111.9	V7 V8 G13 Q14 L15	V7-A11 PolarHBondContact O-N 2.93Å; V8-A11 PolarHBondContact O-N 3.12Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 2.84Å; A11-Q14 WeakPolarHBondContact O-CB 3.45Å; A11-Q14 PolarHBondContact O-N 2.98Å; A11-L15 PolarHBondContact O-N 3.12Å; A11-L15 VanDerWaalsContact O-N 3.08Å
12	L	90.9	Very high	89.2	Confident	115 Å²	115	93.4 Å²	93.4	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-62.4	-39.6	173.2	-69.2	172.9	0	0	0	111.8	V8 Q14 L15 G16	V8-L12 HydrophobicContact CG1-CD1 4.09Å; V8-L12 HydrophobicContact CG1-CG 4.44Å; V8-L12 WeakPolarHBondContact O-CG 3.15Å; V8-L12 PolarHBondContact O-N 2.68Å; L12-Q14 VanDerWaalsContact C-N 3.34Å; L12-Q14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-G16 PolarHBondContact O-N 3.11Å
13	G	89.5	Confident	90	Very high	44 Å²	44	91.4 Å²	91.4	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-38.7	173.7	0	0	0	0	0	113.1	R9 R10 A11 G16 G17	R9-G13 PolarHBondContact O-N 3.4Å; R10-G13 CarbonylContact O-C 3.57Å; R10-G13 WeakPolarHBondContact O-CA 3.36Å; R10-G13 PolarHBondContact O-N 3.16Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 2.84Å; G13-G16 PolarHBondContact O-N 3.12Å; G13-G17 PolarHBondContact O-N 2.93Å
14	Q	90.6	Very high	90.4	Very high	29 Å²	29	85.5 Å²	85.5	14%	0.136	48%	0.483	C	S	.	.	H	α-helix	trans	-65	-41.1	174.2	-71.7	174.1	-44.5	0	0	111.6	R10 A11 L12 G16 G17 H18 V34 T36	R10-Q14 WeakPolarHBondContact O-CG 3.27Å; R10-Q14 PolarHBondContact O-N 3.04Å; A11-Q14 WeakPolarHBondContact O-CB 3.45Å; A11-Q14 PolarHBondContact O-N 2.98Å; L12-Q14 VanDerWaalsContact C-N 3.34Å; L12-Q14 PolarHBondContact O-N 3.32Å; Q14-G16 VanDerWaalsContact C-N 3.35Å; Q14-G16 PolarHBondContact O-N 3.11Å; Q14-G17 PolarHBondContact O-N 3.16Å; Q14-H18 PolarHBondContact O-CD2 3.35Å; Q14-H18 PolarHBondContact O-N 3.1Å; Q14-H18 VanDerWaalsContact O-N 3.14Å; Q14-V34 PolarHBondContact NE2-O 2.85Å; Q14-T36 HydrophobicContact CB-CG2 4.44Å; Q14-T36 HydrophobicContact CG-CG2 4.27Å
15	L	90.2	Very high	90.7	Very high	65 Å²	65	82.1 Å²	82.1	34%	0.34	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.8	-162.5	147.2	0	0	0	111.7	A11 L12 G20 V21 L24	A11-L15 PolarHBondContact O-N 3.12Å; A11-L15 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.05Å; L15-G20 VanDerWaalsContact O-CA 3.28Å; L15-G20 WeakPolarHBondContact O-CA 3.48Å; L15-G20 PolarHBondContact O-N 3.02Å; L15-V21 HydrophobicContact CD1-CG2 4.26Å; L15-V21 HydrophobicContact CD2-CG2 4.04Å; L15-V21 HydrophobicContact CG-CG2 4.4Å; L15-L24 HydrophobicContact CD1-CD2 4.21Å; L15-L24 HydrophobicContact CG-CD2 4.23Å
16	G	88.7	Confident	90.7	Very high	54 Å²	54	79.6 Å²	79.6	56%	0.557	46%	0.461	S	S	*	.	H	α-helix	trans	-67.7	-43	172.8	0	0	0	0	0	113.2	L12 G13 Q14 H18 G19	L12-G16 PolarHBondContact O-N 3.11Å; G13-G16 PolarHBondContact O-N 3.12Å; Q14-G16 VanDerWaalsContact C-N 3.35Å; Q14-G16 PolarHBondContact O-N 3.11Å; G16-H18 VanDerWaalsContact C-N 3.26Å; G16-H18 PolarHBondContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 3.4Å
17	G	88	Confident	90.9	Very high	58 Å²	58	74.5 Å²	74.5	60%	0.598	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-27.3	-177.1	0	0	0	0	0	114.4	G13 Q14 G19	G13-G17 PolarHBondContact O-N 2.93Å; Q14-G17 PolarHBondContact O-N 3.16Å; G17-G19 VanDerWaalsContact C-N 3.31Å
18	H	90.5	Very high	91.1	Very high	39 Å²	39	73.2 Å²	73.2	18%	0.181	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.8	174.9	-71.4	-60.4	0	0	0	114.1	Q14 G16 G23 L24 V34 K35	Q14-H18 PolarHBondContact O-CD2 3.35Å; Q14-H18 PolarHBondContact O-N 3.1Å; Q14-H18 VanDerWaalsContact O-N 3.14Å; G16-H18 VanDerWaalsContact C-N 3.26Å; G16-H18 PolarHBondContact O-N 3.11Å; H18-G23 WeakPolarHBondContact O-CA 3.48Å; H18-L24 HydrophobicContact CB-CB 4.22Å; H18-L24 HydrophobicContact CB-CD1 4.46Å; H18-V34 PolarHBondContact NE2-O 2.93Å; H18-K35 PolarHBondContact CE1-O 3.47Å; H18-K35 PolarHBondContact NE2-O 3.38Å
19	G	89.3	Confident	91.3	Very high	70 Å²	70	75.6 Å²	75.6	72%	0.722	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	32.9	-178.9	0	0	0	0	0	113.1	G16 G17	G16-G19 PolarHBondContact O-N 3.4Å; G17-G19 VanDerWaalsContact C-N 3.31Å
20	G	92.9	Very high	91.4	Very high	22 Å²	22	68.5 Å²	68.5	23%	0.227	40%	0.404	C	S	.	.	S	Bend	trans	93.7	-174.1	177.3	0	0	0	0	0	114.1	L15 K22 G23 L24	L15-G20 VanDerWaalsContact O-CA 3.28Å; L15-G20 WeakPolarHBondContact O-CA 3.48Å; L15-G20 PolarHBondContact O-N 3.02Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.95Å; G20-G23 PolarHBondContact O-N 3.11Å; G20-L24 PolarHBondContact O-N 3.42Å
21	V	92.3	Very high	91.6	Very high	80 Å²	80	63.4 Å²	63.4	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-57.9	-43.8	-171.2	-179.8	0	0	0	0	112.1	L15 G23 L24 F25	L15-V21 HydrophobicContact CD1-CG2 4.26Å; L15-V21 HydrophobicContact CD2-CG2 4.04Å; L15-V21 HydrophobicContact CG-CG2 4.4Å; V21-G23 PolarHBondContact O-N 2.87Å; V21-L24 PolarHBondContact O-N 3.34Å; V21-F25 HydrophobicContact CG1-CD2 3.56Å; V21-F25 HydrophobicContact CG1-CE2 3.39Å; V21-F25 WeakPolarHBondContact O-CD2 3.38Å; V21-F25 PolarHBondContact O-N 3.42Å
22	K	92.2	Very high	91.8	Very high	178 Å²	178	67.6 Å²	67.6	77%	0.774	41%	0.409	S	S	*	.	H	α-helix	trans	-61.6	-47.1	179.9	-176	179.3	177.9	-178.2	0	111.9	G20 F25 V26	G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.95Å; K22-F25 PolarHBondContact O-N 2.96Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 3.43Å
23	G	91.4	Very high	91.9	Very high	24 Å²	24	64 Å²	64	25%	0.247	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-38.6	179.7	0	0	0	0	0	112.1	H18 G20 V21 F25 V26 Q27	H18-G23 WeakPolarHBondContact O-CA 3.48Å; G20-G23 PolarHBondContact O-N 3.11Å; V21-G23 PolarHBondContact O-N 2.87Å; G23-F25 PolarHBondContact O-N 3.36Å; G23-V26 PolarHBondContact O-N 3.09Å; G23-Q27 VanDerWaalsContact O-CB 3.23Å; G23-Q27 WeakPolarHBondContact O-CB 3.39Å; G23-Q27 PolarHBondContact O-N 3.16Å
24	L	93	Very high	92	Very high	34 Å²	34	63.6 Å²	63.6	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-58.3	-45.8	172.5	-175.4	76.2	0	0	0	111.6	L15 H18 G20 V21 Q27 L28 V34	L15-L24 HydrophobicContact CD1-CD2 4.21Å; L15-L24 HydrophobicContact CG-CD2 4.23Å; H18-L24 HydrophobicContact CB-CB 4.22Å; H18-L24 HydrophobicContact CB-CD1 4.46Å; G20-L24 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 3.34Å; L24-Q27 PolarHBondContact O-N 3.43Å; L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.33Å; L24-V34 HydrophobicContact CD1-CB 3.79Å; L24-V34 HydrophobicContact CD1-CG1 3.63Å; L24-V34 HydrophobicContact CG-CG1 4.27Å
25	F	94.4	Very high	92	Very high	106 Å²	106	63 Å²	63	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-43.4	177.8	-84.2	-67.2	0	0	0	112.4	V21 K22 G23 Q27 L28 F29	V21-F25 HydrophobicContact CG1-CD2 3.56Å; V21-F25 HydrophobicContact CG1-CE2 3.39Å; V21-F25 WeakPolarHBondContact O-CD2 3.38Å; V21-F25 PolarHBondContact O-N 3.42Å; K22-F25 PolarHBondContact O-N 2.96Å; G23-F25 PolarHBondContact O-N 3.36Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.42Å; F25-L28 HydrophobicContact CD1-CD2 4.4Å; F25-L28 PolarHBondContact O-N 3.27Å; F25-F29 HydrophobicContact CB-CD2 4.32Å; F25-F29 HydrophobicContact CB-CE2 4.33Å; F25-F29 HydrophobicContact CD1-CD2 4.33Å; F25-F29 AromaticContact CD1-CE2 3.64Å; F25-F29 HydrophobicContact CD1-CE2 3.64Å; F25-F29 HydrophobicContact CD1-CZ 4.43Å; F25-F29 HydrophobicContact CE1-CE2 4.45Å; F25-F29 HydrophobicContact CG-CE2 4.4Å; F25-F29 WeakPolarHBondContact O-CD2 3.35Å; F25-F29 PolarHBondContact O-N 3.32Å
26	V	92.5	Very high	92.1	Very high	55 Å²	55	61.8 Å²	61.8	33%	0.333	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-46.2	175.2	170.5	0	0	0	0	110.2	K22 G23 F29 R30 M75	K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 3.43Å; G23-V26 PolarHBondContact O-N 3.09Å; V26-F29 PolarHBondContact O-N 3.01Å; V26-R30 HydrophobicContact CG1-CG 4.28Å; V26-R30 VanDerWaalsContact O-CB 3.27Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 VanDerWaalsContact O-CG 3.24Å; V26-R30 WeakPolarHBondContact O-CG 3.31Å; V26-R30 PolarHBondContact O-N 2.9Å; V26-M75 HydrophobicContact CG1-CE 4.19Å
27	Q	92.7	Very high	92.4	Very high	20 Å²	20	60.4 Å²	60.4	9%	0.093	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.3	177.7	66.1	22.3	0	0	111.7	G23 L24 F25 R30 A31 D33	G23-Q27 VanDerWaalsContact O-CB 3.23Å; G23-Q27 WeakPolarHBondContact O-CB 3.39Å; G23-Q27 PolarHBondContact O-N 3.16Å; L24-Q27 PolarHBondContact O-N 3.43Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.42Å; Q27-R30 PolarHBondContact O-N 3.42Å; Q27-A31 VanDerWaalsContact NE2-CB 3.32Å; Q27-A31 VanDerWaalsContact O-CB 3.31Å; Q27-A31 WeakPolarHBondContact O-CB 3.29Å; Q27-A31 PolarHBondContact O-N 3.24Å; Q27-D33 VanDerWaalsContact CG-O 3.28Å; Q27-D33 WeakPolarHBondContact CG-O 3.34Å; Q27-D33 PolarHBondContact NE2-O 3.38Å; Q27-D33 VanDerWaalsContact NE2-O 3.15Å
28	L	94.6	Very high	92.7	Very high	69 Å²	69	60.5 Å²	60.5	36%	0.361	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-48.6	178.4	-179.7	66.1	0	0	0	111.2	L24 F25 N32 V34	L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.33Å; F25-L28 HydrophobicContact CD1-CD2 4.4Å; F25-L28 PolarHBondContact O-N 3.27Å; L28-N32 WeakPolarHBondContact O-CA 3.26Å; L28-N32 PolarHBondContact O-N 2.83Å; L28-V34 HydrophobicContact CB-CG1 4.03Å; L28-V34 HydrophobicContact CD1-CG1 3.92Å
29	F	94.5	Very high	93	Very high	135 Å²	135	63.2 Å²	63.2	59%	0.592	37%	0.368	S	S	*	.	H	α-helix	trans	-75.7	-26.5	-177.6	-72.4	-64.2	0	0	0	113.8	F25 V26 W76	F25-F29 HydrophobicContact CB-CD2 4.32Å; F25-F29 HydrophobicContact CB-CE2 4.33Å; F25-F29 HydrophobicContact CD1-CD2 4.33Å; F25-F29 AromaticContact CD1-CE2 3.64Å; F25-F29 HydrophobicContact CD1-CE2 3.64Å; F25-F29 HydrophobicContact CD1-CZ 4.43Å; F25-F29 HydrophobicContact CE1-CE2 4.45Å; F25-F29 HydrophobicContact CG-CE2 4.4Å; F25-F29 WeakPolarHBondContact O-CD2 3.35Å; F25-F29 PolarHBondContact O-N 3.32Å; V26-F29 PolarHBondContact O-N 3.01Å; F29-W76 HydrophobicContact CB-CH2 4.28Å; F29-W76 HydrophobicContact CB-CZ3 4.05Å
30	R	93.3	Very high	93.3	Very high	42 Å²	42	62 Å²	62	16%	0.158	34%	0.344	C	S	.	.	H	α-helix	trans	-86.5	-41	177.9	-68.9	-175.8	79.6	-146.9	0.8	113.2	V26 Q27 Y65 T66 T74 M75 W76	V26-R30 HydrophobicContact CG1-CG 4.28Å; V26-R30 VanDerWaalsContact O-CB 3.27Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 VanDerWaalsContact O-CG 3.24Å; V26-R30 WeakPolarHBondContact O-CG 3.31Å; V26-R30 PolarHBondContact O-N 2.9Å; Q27-R30 PolarHBondContact O-N 3.42Å; R30-Y65 PolarHBondContact NH1-O 2.96Å; R30-Y65 PolarHBondContact NH2-O 3.39Å; R30-Y65 VanDerWaalsContact NH2-O 3.08Å; R30-T66 PolarHBondContact NH2-O 3.2Å; R30-T66 VanDerWaalsContact NH2-O 3.07Å; R30-T74 PolarHBondContact NH2-O 3.01Å; R30-M75 PolarHBondContact NE-O 3.25Å; R30-M75 PolarHBondContact NH2-O 3.3Å; R30-W76 HydrophobicContact CG-CE3 4.02Å; R30-W76 HydrophobicContact CG-CH2 4.28Å; R30-W76 HydrophobicContact CG-CZ3 3.56Å
31	A	92.5	Very high	93.5	Very high	41 Å²	41	61.5 Å²	61.5	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-109.4	-10	-170.7	0	0	0	0	0	113.8	Q27 D33 I64	Q27-A31 VanDerWaalsContact NE2-CB 3.32Å; Q27-A31 VanDerWaalsContact O-CB 3.31Å; Q27-A31 WeakPolarHBondContact O-CB 3.29Å; Q27-A31 PolarHBondContact O-N 3.24Å; A31-D33 PolarHBondContact O-N 2.89Å; A31-I64 HydrophobicContact CB-CD1 4.27Å
32	N	93.9	Very high	93.7	Very high	140 Å²	140	61.1 Å²	61.1	75%	0.749	34%	0.337	S	S	*	.	S	Bend	trans	54.3	20.6	-171.9	-58.9	-58.8	0	0	0	113.8	L28	L28-N32 WeakPolarHBondContact O-CA 3.26Å; L28-N32 PolarHBondContact O-N 2.83Å
33	D	92.3	Very high	93.9	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.214	30%	0.303	C	S	.	.			trans	-149.3	139.5	-179.2	-166.1	-6.2	0	0	0	110.5	Q27 A31 K35 R59	Q27-D33 VanDerWaalsContact CG-O 3.28Å; Q27-D33 WeakPolarHBondContact CG-O 3.34Å; Q27-D33 PolarHBondContact NE2-O 3.38Å; Q27-D33 VanDerWaalsContact NE2-O 3.15Å; A31-D33 PolarHBondContact O-N 2.89Å; D33-K35 PolarHBondContact OD1-N 3.49Å; D33-K35 VanDerWaalsContact OD2-CD 3.3Å; D33-K35 WeakPolarHBondContact OD2-CD 3.29Å; D33-K35 WeakPolarHBondContact OD2-CE 3.5Å; D33-K35 WeakPolarHBondContact OD2-CG 3.32Å; D33-R59 IonicContact OD1-NH2 3.42Å; D33-R59 IonicContact OD2-CZ 3.02Å; D33-R59 IonicContact OD2-NH2 3.59Å; D33-R59 PolarHBondContact OD2-NH2 3.02Å
34	V	92.7	Very high	93.9	Very high	35 Å²	35	57.8 Å²	57.8	21%	0.212	32%	0.316	C	S	.	.			trans	-112.5	7.4	-178.3	-64.2	0	0	0	0	113.5	Q14 H18 L24 L28 T36	Q14-V34 PolarHBondContact NE2-O 2.85Å; H18-V34 PolarHBondContact NE2-O 2.93Å; L24-V34 HydrophobicContact CD1-CB 3.79Å; L24-V34 HydrophobicContact CD1-CG1 3.63Å; L24-V34 HydrophobicContact CG-CG1 4.27Å; L28-V34 HydrophobicContact CB-CG1 4.03Å; L28-V34 HydrophobicContact CD1-CG1 3.92Å; V34-T36 PolarHBondContact O-N 3.49Å
35	K	90.8	Very high	94	Very high	17 Å²	17	58 Å²	58	7%	0.074	31%	0.314	C	S	.	.				24.3	97.4	122.6	118.3	-177.4	170.4	167	0	121.1	H18 D33 Y55 R59 W62	H18-K35 PolarHBondContact CE1-O 3.47Å; H18-K35 PolarHBondContact NE2-O 3.38Å; D33-K35 PolarHBondContact OD1-N 3.49Å; D33-K35 VanDerWaalsContact OD2-CD 3.3Å; D33-K35 WeakPolarHBondContact OD2-CD 3.29Å; D33-K35 WeakPolarHBondContact OD2-CE 3.5Å; D33-K35 WeakPolarHBondContact OD2-CG 3.32Å; K35-Y55 HydrophobicContact CB-CE2 4.35Å; K35-Y55 WeakPolarHBondContact CB-OH 3.48Å; K35-Y55 HydrophobicContact CD-CE2 4.43Å; K35-R59 PolarHBondContact NZ-O 2.72Å; K35-W62 HydrophobicContact CB-CZ2 4.38Å; K35-W62 HydrophobicContact CD-CD2 3.84Å; K35-W62 HydrophobicContact CD-CE3 3.83Å; K35-W62 HydrophobicContact CD-CH2 3.87Å; K35-W62 HydrophobicContact CD-CZ2 3.9Å; K35-W62 HydrophobicContact CD-CZ3 3.83Å; K35-W62 VanDerWaalsContact CE-CE3 3.47Å; K35-W62 VanDerWaalsContact CE-CG 3.45Å; K35-W62 HydrophobicContact CG-CD2 4.25Å; K35-W62 HydrophobicContact CG-CH2 4.09Å; K35-W62 HydrophobicContact CG-CZ2 3.71Å; K35-W62 VanDerWaalsContact NZ-CD2 3.25Å
36	T	92	Very high	94	Very high	38 Å²	38	54.2 Å²	54.2	23%	0.233	31%	0.306	C	S	.	.			trans	-117.2	147.8	163.3	54.2	0	0	0	0	109.8	Q14 V34	Q14-T36 HydrophobicContact CB-CG2 4.44Å; Q14-T36 HydrophobicContact CG-CG2 4.27Å; V34-T36 PolarHBondContact O-N 3.49Å
37	G	93.9	Very high	94.2	Very high	26 Å²	26	51.6 Å²	51.6	27%	0.268	29%	0.29	S	S	.	.			trans	-161.6	171.4	-177.3	0	0	0	0	0	111.1
38	A	95.1	Very high	94.4	Very high	60 Å²	60	55.6 Å²	55.6	50%	0.496	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.2	175.3	0	0	0	0	0	109.7	I40 F50 E51	A38-I40 PolarHBondContact O-N 2.77Å; A38-F50 CarbonylContact O-C 3.43Å; A38-F50 VanDerWaalsContact O-CA 3.22Å; A38-F50 WeakPolarHBondContact O-CA 3.35Å; A38-E51 PolarHBondContact N-O 2.94Å; A38-E51 PolarHBondContact O-N 2.87Å
39	L	96.3	Very high	94.5	Very high	95 Å²	95	52.3 Å²	52.3	50%	0.497	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.2	174.3	179.6	68.6	0	0	0	109	V42 K48 F50	L39-V42 HydrophobicContact CD1-CG2 4.3Å; L39-V42 HydrophobicContact CD2-CG2 4.25Å; L39-K48 HydrophobicContact CD1-CB 3.86Å; L39-K48 HydrophobicContact CD1-CG 4.44Å; L39-F50 HydrophobicContact CB-CD1 4.17Å; L39-F50 HydrophobicContact CB-CE1 3.9Å; L39-F50 HydrophobicContact CD1-CD1 4.22Å; L39-F50 HydrophobicContact CD1-CE1 3.77Å; L39-F50 HydrophobicContact CD1-CE2 4.18Å; L39-F50 HydrophobicContact CD1-CZ 3.75Å; L39-F50 HydrophobicContact CG-CE1 4.42Å
40	I	96.9	Very high	94.7	Very high	46 Å²	46	47.7 Å²	47.7	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-32.6	-179.3	-62	-57.9	0	0	0	111.5	A38 Y49 E51 W87 W90 P98	A38-I40 PolarHBondContact O-N 2.77Å; I40-Y49 PolarHBondContact N-O 3.16Å; I40-E51 HydrophobicContact CD1-CB 3.94Å; I40-E51 HydrophobicContact CG1-CB 3.58Å; I40-W87 HydrophobicContact CG2-CH2 4.25Å; I40-W87 HydrophobicContact CG2-CZ3 4.2Å; I40-W90 HydrophobicContact CB-CH2 4.13Å; I40-W90 HydrophobicContact CB-CZ2 4.13Å; I40-W90 HydrophobicContact CG1-CH2 3.92Å; I40-W90 HydrophobicContact CG1-CZ2 3.78Å; I40-W90 HydrophobicContact CG2-CH2 4.33Å; I40-W90 HydrophobicContact CG2-CZ2 3.94Å; I40-P98 HydrophobicContact CG2-CB 3.66Å; I40-P98 HydrophobicContact CG2-CG 3.78Å
41	G	96.6	Very high	94.8	Very high	11 Å²	11	47.6 Å²	47.6	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	175.7	173.9	0	0	0	0	0	113.5	Y49	G41-Y49 PolarHBondContact N-O 2.85Å; G41-Y49 PolarHBondContact O-N 3.18Å
42	V	96.8	Very high	95	Very high	72 Å²	72	46.4 Å²	46.4	44%	0.436	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	176.8	-171.2	0	0	0	0	107	L39 N47 K48	L39-V42 HydrophobicContact CD1-CG2 4.3Å; L39-V42 HydrophobicContact CD2-CG2 4.25Å; V42-N47 WeakPolarHBondContact CA-O 3.38Å; V42-K48 HydrophobicContact CG1-CG 4.28Å; V42-K48 HydrophobicContact CG2-CG 4.08Å
43	D	95.1	Very high	94.9	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.07	26%	0.257	C	S	.	.			trans	-80.1	175	173.2	67.2	21.6	0	0	0	112.2	Y45 G46 N47 Y49 P84	D43-Y45 PolarHBondContact O-N 3.33Å; D43-Y45 VanDerWaalsContact O-N 3.11Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.38Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.38Å; D43-Y45 PolarHBondContact OD1-N 3.1Å; D43-G46 PolarHBondContact O-N 2.67Å; D43-G46 VanDerWaalsContact O-N 3.12Å; D43-G46 PolarHBondContact OD1-N 2.83Å; D43-N47 PolarHBondContact N-O 2.57Å; D43-N47 PolarHBondContact OD1-N 2.93Å; D43-N47 VanDerWaalsContact OD2-CB 3.23Å; D43-N47 WeakPolarHBondContact OD2-CB 3.34Å; D43-N47 PolarHBondContact OD2-ND2 2.83Å; D43-Y49 HydrophobicContact CB-CE2 3.92Å; D43-Y49 PolarHBondContact OD2-OH 2.89Å; D43-P84 HydrophobicContact CB-CG 4.18Å; D43-P84 VanDerWaalsContact OD2-CD 3.31Å; D43-P84 WeakPolarHBondContact OD2-CD 3.32Å
44	K	92.9	Very high	95	Very high	119 Å²	119	52.9 Å²	52.9	52%	0.517	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.1	177.9	65.5	-165.2	178.3	-166.7	0	114.5	E112	K44-E112 WeakPolarHBondContact CE-O 3.27Å; K44-E112 PolarHBondContact NZ-O 2.9Å
45	Y	94.6	Very high	95	Very high	37 Å²	37	53.1 Å²	53.1	15%	0.145	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-12.4	179	-56.1	-70.1	0	0	0	112.8	D43 T66 M69 P84 V113 H114	D43-Y45 PolarHBondContact O-N 3.33Å; D43-Y45 VanDerWaalsContact O-N 3.11Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.38Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.38Å; D43-Y45 PolarHBondContact OD1-N 3.1Å; Y45-T66 WeakPolarHBondContact O-CB 3.34Å; Y45-T66 PolarHBondContact O-OG1 3.46Å; Y45-M69 HydrophobicContact CD1-CE 3.84Å; Y45-M69 HydrophobicContact CD1-CG 4.14Å; Y45-M69 HydrophobicContact CD1-SD 4.46Å; Y45-M69 HydrophobicContact CD2-CE 3.67Å; Y45-M69 HydrophobicContact CE1-CE 3.96Å; Y45-M69 HydrophobicContact CE2-CE 3.8Å; Y45-M69 HydrophobicContact CG-CE 3.69Å; Y45-M69 HydrophobicContact CG-CG 4.37Å; Y45-M69 HydrophobicContact CG-SD 4.17Å; Y45-P84 HydrophobicContact CD2-CG 4.49Å; Y45-P84 HydrophobicContact CE2-CB 4.15Å; Y45-P84 HydrophobicContact CE2-CG 4.46Å; Y45-V113 HydrophobicContact CE1-CG1 4.19Å; Y45-V113 WeakPolarHBondContact OH-CA 3.28Å; Y45-H114 HydrophobicContact CE2-CB 3.87Å; Y45-H114 WeakPolarHBondContact OH-CA 3.34Å; Y45-H114 VanDerWaalsContact OH-CB 3.26Å; Y45-H114 WeakPolarHBondContact OH-CB 3.11Å; Y45-H114 PolarHBondContact OH-N 3.18Å; Y45-H114 PolarHBondContact OH-O 3.46Å
46	G	94.8	Very high	95.2	Very high	28 Å²	28	58.7 Å²	58.7	29%	0.289	31%	0.305	S	S	.	.			trans	92.6	9.6	-176.1	0	0	0	0	0	114.1	D43 K48	D43-G46 PolarHBondContact O-N 2.67Å; D43-G46 VanDerWaalsContact O-N 3.12Å; D43-G46 PolarHBondContact OD1-N 2.83Å; G46-K48 PolarHBondContact O-N 3.2Å
47	N	96.7	Very high	95.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.			trans	-68.4	132.2	167.8	-53.9	-52.6	0	0	0	108.6	V42 D43 Y49 V63 I64 Y65 T66 M82	V42-N47 WeakPolarHBondContact CA-O 3.38Å; D43-N47 PolarHBondContact N-O 2.57Å; D43-N47 PolarHBondContact OD1-N 2.93Å; D43-N47 VanDerWaalsContact OD2-CB 3.23Å; D43-N47 WeakPolarHBondContact OD2-CB 3.34Å; D43-N47 PolarHBondContact OD2-ND2 2.83Å; N47-Y49 HydrophobicContact CB-CE2 3.94Å; N47-Y49 WeakPolarHBondContact O-CE2 3.38Å; N47-V63 HydrophobicContact CB-CG2 3.81Å; N47-I64 WeakPolarHBondContact CA-O 3.45Å; N47-Y65 WeakPolarHBondContact OD1-CA 3.19Å; N47-T66 WeakPolarHBondContact OD1-CG2 3.43Å; N47-T66 PolarHBondContact OD1-N 2.84Å; N47-M82 PolarHBondContact ND2-O 3.14Å
48	K	96.4	Very high	95.2	Very high	103 Å²	103	66 Å²	66	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.3	-176.5	-61.3	-178.5	-176.1	176.2	0	109.8	L39 V42 G46 F50 V63 I64	L39-K48 HydrophobicContact CD1-CB 3.86Å; L39-K48 HydrophobicContact CD1-CG 4.44Å; V42-K48 HydrophobicContact CG1-CG 4.28Å; V42-K48 HydrophobicContact CG2-CG 4.08Å; G46-K48 PolarHBondContact O-N 3.2Å; K48-F50 HydrophobicContact CB-CD2 4.37Å; K48-F50 HydrophobicContact CB-CE2 3.52Å; K48-F50 HydrophobicContact CB-CZ 4.01Å; K48-F50 HydrophobicContact CD-CZ 4.49Å; K48-F50 WeakPolarHBondContact O-CD2 3.23Å; K48-V63 CarbonylContact O-C 3.47Å; K48-V63 WeakPolarHBondContact O-CA 3.41Å; K48-I64 HydrophobicContact CB-CB 4.49Å; K48-I64 PolarHBondContact N-O 3.02Å; K48-I64 PolarHBondContact O-N 3.18Å
49	Y	97.4	Very high	95.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.5	-175.8	-61.9	-87	0	0	0	110.4	I40 G41 D43 N47 V63 V83 P84 W87 W90	I40-Y49 PolarHBondContact N-O 3.16Å; G41-Y49 PolarHBondContact N-O 2.85Å; G41-Y49 PolarHBondContact O-N 3.18Å; D43-Y49 HydrophobicContact CB-CE2 3.92Å; D43-Y49 PolarHBondContact OD2-OH 2.89Å; N47-Y49 HydrophobicContact CB-CE2 3.94Å; N47-Y49 WeakPolarHBondContact O-CE2 3.38Å; Y49-V63 HydrophobicContact CD1-CB 3.91Å; Y49-V63 HydrophobicContact CD1-CG2 3.88Å; Y49-V63 HydrophobicContact CE1-CB 3.84Å; Y49-V63 HydrophobicContact CE1-CG2 3.53Å; Y49-V83 HydrophobicContact CE1-CG1 4.11Å; Y49-P84 VanDerWaalsContact OH-CD 3.29Å; Y49-P84 WeakPolarHBondContact OH-CD 3.22Å; Y49-W87 HydrophobicContact CD1-CB 4.31Å; Y49-W87 HydrophobicContact CD1-CD2 4.05Å; Y49-W87 AromaticContact CD1-CE3 3.66Å; Y49-W87 HydrophobicContact CD1-CE3 3.66Å; Y49-W87 HydrophobicContact CD1-CG 4.36Å; Y49-W87 HydrophobicContact CD1-CZ3 4.31Å; Y49-W87 AromaticContact CD2-CD2 3.35Å; Y49-W87 HydrophobicContact CD2-CD2 3.35Å; Y49-W87 AromaticContact CD2-CE2 3.53Å; Y49-W87 AromaticContact CD2-CE3 3.48Å; Y49-W87 HydrophobicContact CD2-CE3 3.48Å; Y49-W87 VanDerWaalsContact CD2-CE3 3.48Å; Y49-W87 AromaticContact CD2-CG 3.9Å; Y49-W87 HydrophobicContact CD2-CG 3.9Å; Y49-W87 AromaticContact CD2-CH2 3.96Å; Y49-W87 HydrophobicContact CD2-CH2 3.96Å; Y49-W87 AromaticContact CD2-CZ2 3.83Å; Y49-W87 HydrophobicContact CD2-CZ2 3.83Å; Y49-W87 AromaticContact CD2-CZ3 3.79Å; Y49-W87 HydrophobicContact CD2-CZ3 3.79Å; Y49-W87 HydrophobicContact CE1-CB 3.6Å; Y49-W87 HydrophobicContact CE1-CD2 4.08Å; Y49-W87 HydrophobicContact CE1-CE3 4.12Å; Y49-W87 AromaticContact CE1-CG 3.9Å; Y49-W87 HydrophobicContact CE1-CG 3.9Å; Y49-W87 HydrophobicContact CE2-CB 3.99Å; Y49-W87 AromaticContact CE2-CD1 3.66Å; Y49-W87 AromaticContact CE2-CD2 3.41Å; Y49-W87 HydrophobicContact CE2-CD2 3.41Å; Y49-W87 VanDerWaalsContact CE2-CD2 3.41Å; Y49-W87 AromaticContact CE2-CE2 3.66Å; Y49-W87 AromaticContact CE2-CE3 3.98Å; Y49-W87 HydrophobicContact CE2-CE3 3.98Å; Y49-W87 AromaticContact CE2-CG 3.42Å; Y49-W87 HydrophobicContact CE2-CG 3.42Å; Y49-W87 VanDerWaalsContact CE2-CG 3.42Å; Y49-W87 HydrophobicContact CE2-CZ2 4.37Å; Y49-W87 AromaticContact CE2-NE1 3.8Å; Y49-W87 AromaticContact CG-CD2 3.7Å; Y49-W87 HydrophobicContact CG-CD2 3.7Å; Y49-W87 AromaticContact CG-CE3 3.32Å; Y49-W87 HydrophobicContact CG-CE3 3.32Å; Y49-W87 HydrophobicContact CG-CG 4.36Å; Y49-W87 HydrophobicContact CG-CH2 4.18Å; Y49-W87 HydrophobicContact CG-CZ2 4.48Å; Y49-W87 AromaticContact CG-CZ3 3.6Å; Y49-W87 HydrophobicContact CG-CZ3 3.6Å; Y49-W87 VanDerWaalsContact CZ-CB 3.42Å; Y49-W87 AromaticContact CZ-CD1 3.93Å; Y49-W87 AromaticContact CZ-CD2 3.79Å; Y49-W87 AromaticContact CZ-CG 3.41Å; Y49-W87 VanDerWaalsContact CZ-CG 3.41Å; Y49-W90 HydrophobicContact CD1-CE3 4.42Å; Y49-W90 HydrophobicContact CD1-CZ3 4.25Å; Y49-W90 HydrophobicContact CG-CZ3 4.42Å
50	F	96.9	Very high	95.2	Very high	38 Å²	38	63.8 Å²	63.8	17%	0.167	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.5	-173.9	-65.3	-89.9	0	0	0	111.7	A38 L39 K48 R61 W62 I64	A38-F50 CarbonylContact O-C 3.43Å; A38-F50 VanDerWaalsContact O-CA 3.22Å; A38-F50 WeakPolarHBondContact O-CA 3.35Å; L39-F50 HydrophobicContact CB-CD1 4.17Å; L39-F50 HydrophobicContact CB-CE1 3.9Å; L39-F50 HydrophobicContact CD1-CD1 4.22Å; L39-F50 HydrophobicContact CD1-CE1 3.77Å; L39-F50 HydrophobicContact CD1-CE2 4.18Å; L39-F50 HydrophobicContact CD1-CZ 3.75Å; L39-F50 HydrophobicContact CG-CE1 4.42Å; K48-F50 HydrophobicContact CB-CD2 4.37Å; K48-F50 HydrophobicContact CB-CE2 3.52Å; K48-F50 HydrophobicContact CB-CZ 4.01Å; K48-F50 HydrophobicContact CD-CZ 4.49Å; K48-F50 WeakPolarHBondContact O-CD2 3.23Å; F50-R61 WeakPolarHBondContact O-CA 3.34Å; F50-W62 HydrophobicContact CB-CD2 3.86Å; F50-W62 HydrophobicContact CB-CE3 4.48Å; F50-W62 HydrophobicContact CB-CG 4.29Å; F50-W62 HydrophobicContact CB-CH2 4.34Å; F50-W62 HydrophobicContact CB-CZ2 3.66Å; F50-W62 AromaticContact CD2-NE1 3.78Å; F50-W62 HydrophobicContact CG-CZ2 4.39Å; F50-W62 AromaticContact CG-NE1 3.79Å; F50-W62 PolarHBondContact N-O 2.89Å; F50-W62 PolarHBondContact O-N 3.34Å; F50-I64 HydrophobicContact CD2-CG1 3.89Å; F50-I64 HydrophobicContact CE2-CB 4.07Å; F50-I64 HydrophobicContact CE2-CG1 3.56Å
51	E	96.3	Very high	95.2	Very high	41 Å²	41	62.6 Å²	62.6	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.9	174.2	-172.1	167.9	-136.8	0	0	112	A38 I40 H60 R61 W90	A38-E51 PolarHBondContact N-O 2.94Å; A38-E51 PolarHBondContact O-N 2.87Å; I40-E51 HydrophobicContact CD1-CB 3.94Å; I40-E51 HydrophobicContact CG1-CB 3.58Å; E51-H60 CarbonylContact C-O 3.57Å; E51-H60 WeakPolarHBondContact CA-O 3.18Å; E51-R61 HydrophobicContact CB-CG 4.42Å; E51-R61 HydrophobicContact CG-CG 4.08Å; E51-R61 IonicContact OE1-CZ 2.57Å; E51-R61 IonicContact OE1-NE 2.69Å; E51-R61 PolarHBondContact OE1-NE 3.04Å; E51-R61 IonicContact OE1-NH2 2.58Å; E51-R61 PolarHBondContact OE1-NH2 3.47Å; E51-W90 HydrophobicContact CB-CH2 4.08Å; E51-W90 HydrophobicContact CB-CZ2 3.97Å; E51-W90 HydrophobicContact CG-CZ2 4.43Å
52	D	95.8	Very high	95.2	Very high	15 Å²	15	63.1 Å²	63.1	8%	0.08	31%	0.306	C	S	.	.			trans	-151.1	105.7	168.2	-178.4	-0.2	0	0	0	110	R54 Y55 H60 W62	D52-R54 PolarHBondContact O-N 3.08Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.37Å; D52-R54 VanDerWaalsContact OD1-CG 3.3Å; D52-R54 WeakPolarHBondContact OD1-CG 3.5Å; D52-R54 IonicContact OD1-CZ 3.88Å; D52-R54 PolarHBondContact OD1-N 3.02Å; D52-R54 IonicContact OD1-NE 3.74Å; D52-R54 PolarHBondContact OD1-NE 2.82Å; D52-R54 IonicContact OD1-NH2 2.76Å; D52-R54 IonicContact OD2-CZ 3.67Å; D52-R54 VanDerWaalsContact OD2-CZ 3.31Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 3.3Å; D52-R54 VanDerWaalsContact OD2-NE 3.13Å; D52-R54 IonicContact OD2-NH2 3.67Å; D52-R54 PolarHBondContact OD2-NH2 3.07Å; D52-Y55 HydrophobicContact CB-CD2 3.76Å; D52-Y55 HydrophobicContact CB-CE2 4.1Å; D52-Y55 PolarHBondContact O-N 2.88Å; D52-Y55 VanDerWaalsContact OD2-CE2 3.25Å; D52-Y55 WeakPolarHBondContact OD2-CE2 3.31Å; D52-H60 PolarHBondContact N-O 3.15Å; D52-H60 VanDerWaalsContact O-CA 3.31Å; D52-H60 WeakPolarHBondContact O-CA 3.31Å; D52-H60 WeakPolarHBondContact O-CB 3.26Å; D52-W62 HydrophobicContact CB-CH2 3.74Å; D52-W62 HydrophobicContact CB-CZ3 3.92Å
53	T	93.5	Very high	95.2	Very high	117 Å²	117	60.6 Å²	60.6	72%	0.718	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.5	-177.8	55.5	0	0	0	0	113.8	Y55	T53-Y55 PolarHBondContact O-N 2.83Å
54	R	92.9	Very high	95.3	Very high	200 Å²	200	61.2 Å²	61.2	76%	0.755	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.9	172.5	-59.4	173.6	-66.2	-175.3	2.9	112	D52	D52-R54 PolarHBondContact O-N 3.08Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.37Å; D52-R54 VanDerWaalsContact OD1-CG 3.3Å; D52-R54 WeakPolarHBondContact OD1-CG 3.5Å; D52-R54 IonicContact OD1-CZ 3.88Å; D52-R54 PolarHBondContact OD1-N 3.02Å; D52-R54 IonicContact OD1-NE 3.74Å; D52-R54 PolarHBondContact OD1-NE 2.82Å; D52-R54 IonicContact OD1-NH2 2.76Å; D52-R54 IonicContact OD2-CZ 3.67Å; D52-R54 VanDerWaalsContact OD2-CZ 3.31Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 3.3Å; D52-R54 VanDerWaalsContact OD2-NE 3.13Å; D52-R54 IonicContact OD2-NH2 3.67Å; D52-R54 PolarHBondContact OD2-NH2 3.07Å
55	Y	93.3	Very high	95.5	Very high	39 Å²	39	58 Å²	58	15%	0.153	28%	0.279	C	S	.	.	S	Bend	trans	-83	154.2	172.9	-69.8	-78.7	0	0	0	111.1	R10 K35 D52 T53 W62	R10-Y55 PolarHBondContact NH2-OH 3.42Å; K35-Y55 HydrophobicContact CB-CE2 4.35Å; K35-Y55 WeakPolarHBondContact CB-OH 3.48Å; K35-Y55 HydrophobicContact CD-CE2 4.43Å; D52-Y55 HydrophobicContact CB-CD2 3.76Å; D52-Y55 HydrophobicContact CB-CE2 4.1Å; D52-Y55 PolarHBondContact O-N 2.88Å; D52-Y55 VanDerWaalsContact OD2-CE2 3.25Å; D52-Y55 WeakPolarHBondContact OD2-CE2 3.31Å; T53-Y55 PolarHBondContact O-N 2.83Å; Y55-W62 HydrophobicContact CD2-CZ3 4.42Å; Y55-W62 HydrophobicContact CE2-CH2 4.45Å
56	F	94.9	Very high	95.5	Very high	135 Å²	135	57 Å²	57	59%	0.592	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-65.7	161.4	177.1	68.2	-92.3	0	0	0	112.5	G58 R59 H60	F56-G58 PolarHBondContact O-N 3.21Å; F56-R59 HydrophobicContact CD1-CB 4.49Å; F56-R59 HydrophobicContact CE1-CB 4.23Å; F56-R59 HydrophobicContact CE1-CG 3.84Å; F56-R59 HydrophobicContact CE2-CB 4.4Å; F56-R59 HydrophobicContact CE2-CG 3.88Å; F56-R59 HydrophobicContact CZ-CB 4.16Å; F56-R59 HydrophobicContact CZ-CG 3.44Å; F56-R59 VanDerWaalsContact CZ-CG 3.44Å; F56-R59 PolarHBondContact O-N 3.35Å; F56-H60 PolarHBondContact O-N 3.3Å
57	F	94.1	Very high	95.5	Very high	162 Å²	162	59.2 Å²	59.2	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	131.4	178.5	-178.1	-103	0	0	0	111.6	H60 C93	F57-H60 AromaticContact CD2-CE1 3.56Å; F57-H60 AromaticContact CE2-CE1 3.85Å; F57-C93 HydrophobicContact CE2-CB 4.01Å; F57-C93 HydrophobicContact CZ-CB 4.12Å
58	G	92.1	Very high	95.4	Very high	55 Å²	55	64.9 Å²	64.9	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-21.8	-170.6	0	0	0	0	0	115.6	F56 H60	F56-G58 PolarHBondContact O-N 3.21Å; G58-H60 PolarHBondContact N-ND1 3.42Å
59	R	94.9	Very high	95.2	Very high	90 Å²	90	60.1 Å²	60.1	34%	0.34	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-16.9	170	-73.3	-167.3	77.5	-164.1	-0.2	114.5	D33 K35 F56 R61 W62	D33-R59 IonicContact OD1-NH2 3.42Å; D33-R59 IonicContact OD2-CZ 3.02Å; D33-R59 IonicContact OD2-NH2 3.59Å; D33-R59 PolarHBondContact OD2-NH2 3.02Å; K35-R59 PolarHBondContact NZ-O 2.72Å; F56-R59 HydrophobicContact CD1-CB 4.49Å; F56-R59 HydrophobicContact CE1-CB 4.23Å; F56-R59 HydrophobicContact CE1-CG 3.84Å; F56-R59 HydrophobicContact CE2-CB 4.4Å; F56-R59 HydrophobicContact CE2-CG 3.88Å; F56-R59 HydrophobicContact CZ-CB 4.16Å; F56-R59 HydrophobicContact CZ-CG 3.44Å; F56-R59 VanDerWaalsContact CZ-CG 3.44Å; F56-R59 PolarHBondContact O-N 3.35Å; R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.81Å; R59-W62 VanDerWaalsContact O-CE3 3.29Å
60	H	96.1	Very high	94.9	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.083	31%	0.309	C	S	.	.	S	Bend	trans	-60.7	-28.3	180	68.9	-65.7	0	0	0	114.6	E51 D52 F56 F57 G58 W62 C93	E51-H60 CarbonylContact C-O 3.57Å; E51-H60 WeakPolarHBondContact CA-O 3.18Å; D52-H60 PolarHBondContact N-O 3.15Å; D52-H60 VanDerWaalsContact O-CA 3.31Å; D52-H60 WeakPolarHBondContact O-CA 3.31Å; D52-H60 WeakPolarHBondContact O-CB 3.26Å; F56-H60 PolarHBondContact O-N 3.3Å; F57-H60 AromaticContact CD2-CE1 3.56Å; F57-H60 AromaticContact CE2-CE1 3.85Å; G58-H60 PolarHBondContact N-ND1 3.42Å; H60-W62 WeakPolarHBondContact O-CZ3 3.18Å; H60-C93 VanDerWaalsContact CE1-SG 3.51Å
61	R	97.1	Very high	94.5	Very high	21 Å²	21	64.9 Å²	64.9	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	174.8	-68.9	173	-169.9	167.7	13.5	110.7	F50 E51 R59 W90 T95 D96	F50-R61 WeakPolarHBondContact O-CA 3.34Å; E51-R61 HydrophobicContact CB-CG 4.42Å; E51-R61 HydrophobicContact CG-CG 4.08Å; E51-R61 IonicContact OE1-CZ 2.57Å; E51-R61 IonicContact OE1-NE 2.69Å; E51-R61 PolarHBondContact OE1-NE 3.04Å; E51-R61 IonicContact OE1-NH2 2.58Å; E51-R61 PolarHBondContact OE1-NH2 3.47Å; R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.81Å; R61-W90 HydrophobicContact CB-CH2 4.11Å; R61-W90 HydrophobicContact CB-CZ3 4.22Å; R61-W90 WeakPolarHBondContact CD-O 3.4Å; R61-W90 HydrophobicContact CG-CH2 3.7Å; R61-W90 HydrophobicContact CG-CZ2 3.74Å; R61-W90 HydrophobicContact CG-CZ3 4.2Å; R61-W90 PolarHBondContact NH1-O 3.31Å; R61-T95 PolarHBondContact NH1-O 3.34Å; R61-D96 IonicContact NH2-OD1 3.31Å; R61-D96 PolarHBondContact NH2-OD1 3.5Å
62	W	96.9	Very high	94.2	Very high	22 Å²	22	67 Å²	67	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.5	174.2	63.1	98.6	0	0	0	111.8	K35 F50 D52 Y55 R59 H60	K35-W62 HydrophobicContact CB-CZ2 4.38Å; K35-W62 HydrophobicContact CD-CD2 3.84Å; K35-W62 HydrophobicContact CD-CE3 3.83Å; K35-W62 HydrophobicContact CD-CH2 3.87Å; K35-W62 HydrophobicContact CD-CZ2 3.9Å; K35-W62 HydrophobicContact CD-CZ3 3.83Å; K35-W62 VanDerWaalsContact CE-CE3 3.47Å; K35-W62 VanDerWaalsContact CE-CG 3.45Å; K35-W62 HydrophobicContact CG-CD2 4.25Å; K35-W62 HydrophobicContact CG-CH2 4.09Å; K35-W62 HydrophobicContact CG-CZ2 3.71Å; K35-W62 VanDerWaalsContact NZ-CD2 3.25Å; F50-W62 HydrophobicContact CB-CD2 3.86Å; F50-W62 HydrophobicContact CB-CE3 4.48Å; F50-W62 HydrophobicContact CB-CG 4.29Å; F50-W62 HydrophobicContact CB-CH2 4.34Å; F50-W62 HydrophobicContact CB-CZ2 3.66Å; F50-W62 AromaticContact CD2-NE1 3.78Å; F50-W62 HydrophobicContact CG-CZ2 4.39Å; F50-W62 AromaticContact CG-NE1 3.79Å; F50-W62 PolarHBondContact N-O 2.89Å; F50-W62 PolarHBondContact O-N 3.34Å; D52-W62 HydrophobicContact CB-CH2 3.74Å; D52-W62 HydrophobicContact CB-CZ3 3.92Å; Y55-W62 HydrophobicContact CD2-CZ3 4.42Å; Y55-W62 HydrophobicContact CE2-CH2 4.45Å; R59-W62 VanDerWaalsContact O-CE3 3.29Å; H60-W62 WeakPolarHBondContact O-CZ3 3.18Å
63	V	97.2	Very high	94.1	Very high	19 Å²	19	71.6 Å²	71.6	12%	0.115	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.6	175.9	61.2	0	0	0	0	109.6	N47 K48 Y49 Y65 V83 L91	N47-V63 HydrophobicContact CB-CG2 3.81Å; K48-V63 CarbonylContact O-C 3.47Å; K48-V63 WeakPolarHBondContact O-CA 3.41Å; Y49-V63 HydrophobicContact CD1-CB 3.91Å; Y49-V63 HydrophobicContact CD1-CG2 3.88Å; Y49-V63 HydrophobicContact CE1-CB 3.84Å; Y49-V63 HydrophobicContact CE1-CG2 3.53Å; V63-Y65 HydrophobicContact CG1-CD1 4.47Å; V63-Y65 HydrophobicContact CG1-CD2 4.38Å; V63-Y65 HydrophobicContact CG1-CE1 3.87Å; V63-Y65 HydrophobicContact CG1-CE2 3.77Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.47Å; V63-Y65 HydrophobicContact CG2-CD1 4.48Å; V63-Y65 HydrophobicContact CG2-CE1 4.49Å; V63-V83 HydrophobicContact CG1-CG2 4.31Å; V63-L91 HydrophobicContact CB-CD1 4.39Å; V63-L91 HydrophobicContact CB-CD2 4.34Å; V63-L91 HydrophobicContact CG1-CD1 4.5Å; V63-L91 HydrophobicContact CG1-CD2 3.91Å
64	I	96	Very high	94	Very high	27 Å²	27	66.1 Å²	66.1	14%	0.138	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.8	164	-56.4	-55.5	0	0	0	106.9	A31 N47 K48 F50	A31-I64 HydrophobicContact CB-CD1 4.27Å; N47-I64 WeakPolarHBondContact CA-O 3.45Å; K48-I64 HydrophobicContact CB-CB 4.49Å; K48-I64 PolarHBondContact N-O 3.02Å; K48-I64 PolarHBondContact O-N 3.18Å; F50-I64 HydrophobicContact CD2-CG1 3.89Å; F50-I64 HydrophobicContact CE2-CB 4.07Å; F50-I64 HydrophobicContact CE2-CG1 3.56Å
65	Y	96.8	Very high	94	Very high	50 Å²	50	58.8 Å²	58.8	20%	0.196	31%	0.308	C	S	.	.			trans	-66.3	148.7	-175.2	-65.4	-79.3	0	0	0	112.3	R30 N47 V63 V78 D79 M82 V83	R30-Y65 PolarHBondContact NH1-O 2.96Å; R30-Y65 PolarHBondContact NH2-O 3.39Å; R30-Y65 VanDerWaalsContact NH2-O 3.08Å; N47-Y65 WeakPolarHBondContact OD1-CA 3.19Å; V63-Y65 HydrophobicContact CG1-CD1 4.47Å; V63-Y65 HydrophobicContact CG1-CD2 4.38Å; V63-Y65 HydrophobicContact CG1-CE1 3.87Å; V63-Y65 HydrophobicContact CG1-CE2 3.77Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.47Å; V63-Y65 HydrophobicContact CG2-CD1 4.48Å; V63-Y65 HydrophobicContact CG2-CE1 4.49Å; Y65-V78 HydrophobicContact CD2-CB 3.84Å; Y65-V78 HydrophobicContact CD2-CG1 4.12Å; Y65-V78 HydrophobicContact CD2-CG2 4.44Å; Y65-V78 HydrophobicContact CE2-CB 4.49Å; Y65-V78 HydrophobicContact CG-CB 4.15Å; Y65-V78 HydrophobicContact CG-CG1 4.24Å; Y65-D79 VanDerWaalsContact CE1-O 3.3Å; Y65-D79 WeakPolarHBondContact CE1-O 3.46Å; Y65-M82 HydrophobicContact CD1-CB 4.01Å; Y65-M82 HydrophobicContact CD1-CE 4.41Å; Y65-M82 HydrophobicContact CD1-SD 4.23Å; Y65-M82 HydrophobicContact CE1-CB 4.08Å; Y65-V83 HydrophobicContact CE1-CG2 3.8Å
66	T	95.9	Very high	93.9	Very high	18 Å²	18	64.8 Å²	64.8	11%	0.11	33%	0.33	C	S	.	.			trans	-61.1	158.9	172.1	-170.7	0	0	0	0	111.5	R30 Y45 N47 E68 M69 T74 M82	R30-T66 PolarHBondContact NH2-O 3.2Å; R30-T66 VanDerWaalsContact NH2-O 3.07Å; Y45-T66 WeakPolarHBondContact O-CB 3.34Å; Y45-T66 PolarHBondContact O-OG1 3.46Å; N47-T66 WeakPolarHBondContact OD1-CG2 3.43Å; N47-T66 PolarHBondContact OD1-N 2.84Å; T66-E68 WeakPolarHBondContact CG2-O 3.4Å; T66-E68 PolarHBondContact OG1-O 3.02Å; T66-M69 HydrophobicContact CG2-CB 3.79Å; T66-T74 PolarHBondContact O-OG1 3.21Å; T66-M82 HydrophobicContact CG2-CE 3.83Å
67	T	94.5	Very high	93.8	Very high	73 Å²	73	64 Å²	64	45%	0.448	33%	0.328	S	S	.	.	S	Bend	trans	-85.4	-18.3	177.5	54.7	0	0	0	0	112.5	N73 T74 M75	T67-N73 PolarHBondContact O-OD1 2.83Å; T67-T74 CarbonylContact O-C 3.6Å; T67-T74 PolarHBondContact O-N 3.15Å; T67-T74 PolarHBondContact O-OG1 3.14Å; T67-M75 HydrophobicContact CG2-SD 3.56Å; T67-M75 VanDerWaalsContact CG2-SD 3.56Å; T67-M75 PolarHBondContact O-N 2.76Å; T67-M75 VanDerWaalsContact O-N 3.15Å
68	E	94.1	Very high	93.8	Very high	120 Å²	120	59.1 Å²	59.1	56%	0.561	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	132.1	176.1	-169.7	-175.6	150.4	0	0	109.8	T66 K72 T74	T66-E68 WeakPolarHBondContact CG2-O 3.4Å; T66-E68 PolarHBondContact OG1-O 3.02Å; E68-K72 WeakPolarHBondContact CA-O 3.38Å; E68-K72 WeakPolarHBondContact CG-O 3.3Å; E68-T74 PolarHBondContact N-OG1 3.29Å
69	M	92.9	Very high	93.9	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.3	177	-173.7	162.6	-179.9	0	0	110.2	Y45 T66 G71 K72 T74 M82 F116	Y45-M69 HydrophobicContact CD1-CE 3.84Å; Y45-M69 HydrophobicContact CD1-CG 4.14Å; Y45-M69 HydrophobicContact CD1-SD 4.46Å; Y45-M69 HydrophobicContact CD2-CE 3.67Å; Y45-M69 HydrophobicContact CE1-CE 3.96Å; Y45-M69 HydrophobicContact CE2-CE 3.8Å; Y45-M69 HydrophobicContact CG-CE 3.69Å; Y45-M69 HydrophobicContact CG-CG 4.37Å; Y45-M69 HydrophobicContact CG-SD 4.17Å; T66-M69 HydrophobicContact CG2-CB 3.79Å; M69-G71 PolarHBondContact O-N 2.78Å; M69-G71 VanDerWaalsContact O-N 3.11Å; M69-K72 PolarHBondContact N-O 2.69Å; M69-K72 WeakPolarHBondContact O-CB 3.22Å; M69-K72 PolarHBondContact O-N 3.2Å; M69-T74 HydrophobicContact CB-CG2 4.31Å; M69-M82 HydrophobicContact CB-CE 3.73Å; M69-M82 WeakPolarHBondContact CE-O 3.46Å; M69-M82 HydrophobicContact CG-CE 4.35Å; M69-M82 HydrophobicContact SD-CB 3.61Å; M69-M82 HydrophobicContact SD-CE 3.79Å; M69-M82 HydrophobicContact SD-CG 3.88Å; M69-F116 HydrophobicContact CG-CD1 4.1Å; M69-F116 HydrophobicContact CG-CE1 4.46Å; M69-F116 HydrophobicContact SD-CD1 4.48Å
70	N	89.9	Confident	93.9	Very high	72 Å²	72	57.3 Å²	57.3	39%	0.385	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	38.6	-177.9	-52.3	46.9	0	0	0	113.7	K72 H114 F116	N70-K72 VanDerWaalsContact C-N 3.28Å; N70-K72 PolarHBondContact O-N 2.81Å; N70-H114 PolarHBondContact ND2-O 3.25Å; N70-F116 HydrophobicContact CB-CD1 4.34Å; N70-F116 HydrophobicContact CB-CE1 3.78Å
71	G	89.6	Confident	93.9	Very high	65 Å²	65	58.2 Å²	58.2	67%	0.67	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	4.2	-179.6	0	0	0	0	0	115.2	M69	M69-G71 PolarHBondContact O-N 2.78Å; M69-G71 VanDerWaalsContact O-N 3.11Å
72	K	90.5	Very high	93.9	Very high	85 Å²	85	57.3 Å²	57.3	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.8	173.6	-170.7	-176.3	177.9	-167	0	110.1	E68 M69 N70 T74 E77 F116	E68-K72 WeakPolarHBondContact CA-O 3.38Å; E68-K72 WeakPolarHBondContact CG-O 3.3Å; M69-K72 PolarHBondContact N-O 2.69Å; M69-K72 WeakPolarHBondContact O-CB 3.22Å; M69-K72 PolarHBondContact O-N 3.2Å; N70-K72 VanDerWaalsContact C-N 3.28Å; N70-K72 PolarHBondContact O-N 2.81Å; K72-T74 HydrophobicContact CG-CG2 4.48Å; K72-T74 PolarHBondContact O-N 3.13Å; K72-E77 WeakPolarHBondContact CE-OE2 3.16Å; K72-E77 IonicContact NZ-OE2 3.13Å; K72-E77 PolarHBondContact NZ-OE2 3.45Å; K72-F116 HydrophobicContact CB-CE1 4.34Å; K72-F116 HydrophobicContact CB-CZ 3.98Å; K72-F116 HydrophobicContact CD-CE2 4.16Å; K72-F116 HydrophobicContact CD-CZ 3.82Å
73	N	93.1	Very high	93.9	Very high	112 Å²	112	56.5 Å²	56.5	60%	0.599	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.2	171.2	-175.8	-10.6	0	0	0	110	T67 M75	T67-N73 PolarHBondContact O-OD1 2.83Å; N73-M75 WeakPolarHBondContact OD1-CB 2.86Å; N73-M75 PolarHBondContact OD1-N 3.03Å
74	T	92.1	Very high	93.8	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.304	C	S	.	.			trans	-108.7	25.2	-179.7	59.3	0	0	0	0	111.5	R30 T66 T67 E68 M69 K72 W76 M82	R30-T74 PolarHBondContact NH2-O 3.01Å; T66-T74 PolarHBondContact O-OG1 3.21Å; T67-T74 CarbonylContact O-C 3.6Å; T67-T74 PolarHBondContact O-N 3.15Å; T67-T74 PolarHBondContact O-OG1 3.14Å; E68-T74 PolarHBondContact N-OG1 3.29Å; M69-T74 HydrophobicContact CB-CG2 4.31Å; K72-T74 HydrophobicContact CG-CG2 4.48Å; K72-T74 PolarHBondContact O-N 3.13Å; T74-W76 VanDerWaalsContact C-N 3.29Å; T74-W76 PolarHBondContact O-N 2.8Å; T74-M82 HydrophobicContact CG2-CE 3.53Å; T74-M82 HydrophobicContact CG2-SD 3.91Å; T74-M82 WeakPolarHBondContact OG1-CE 3.31Å
75	M	91.5	Very high	93.7	Very high	47 Å²	47	57.7 Å²	57.7	23%	0.232	33%	0.325	C	S	.	.	S	Bend	trans	-56.4	-46.6	174.7	-176.5	64.4	-179.8	0	0	110.9	V26 R30 T67 N73	V26-M75 HydrophobicContact CG1-CE 4.19Å; R30-M75 PolarHBondContact NE-O 3.25Å; R30-M75 PolarHBondContact NH2-O 3.3Å; T67-M75 HydrophobicContact CG2-SD 3.56Å; T67-M75 VanDerWaalsContact CG2-SD 3.56Å; T67-M75 PolarHBondContact O-N 2.76Å; T67-M75 VanDerWaalsContact O-N 3.15Å; N73-M75 WeakPolarHBondContact OD1-CB 2.86Å; N73-M75 PolarHBondContact OD1-N 3.03Å
76	W	92.8	Very high	93.6	Very high	164 Å²	164	57.7 Å²	57.7	62%	0.621	33%	0.327	S	S	*	.	S	Bend	trans	-114.1	-27.6	179.7	-53.6	117.7	0	0	0	113.2	F29 R30 T74 V78	F29-W76 HydrophobicContact CB-CH2 4.28Å; F29-W76 HydrophobicContact CB-CZ3 4.05Å; R30-W76 HydrophobicContact CG-CE3 4.02Å; R30-W76 HydrophobicContact CG-CH2 4.28Å; R30-W76 HydrophobicContact CG-CZ3 3.56Å; T74-W76 VanDerWaalsContact C-N 3.29Å; T74-W76 PolarHBondContact O-N 2.8Å; W76-V78 VanDerWaalsContact C-N 3.3Å; W76-V78 PolarHBondContact O-N 3Å; W76-V78 VanDerWaalsContact O-N 3.14Å
77	E	91.5	Very high	93.6	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	32%	0.323	S	S	*	.			trans	-89.7	65.7	178	-62.3	-174.3	-173.5	0	0	111	K72	K72-E77 WeakPolarHBondContact CE-OE2 3.16Å; K72-E77 IonicContact NZ-OE2 3.13Å; K72-E77 PolarHBondContact NZ-OE2 3.45Å
78	V	94.1	Very high	93.7	Very high	60 Å²	60	57.1 Å²	57.1	36%	0.364	32%	0.317	S	S	.	.			trans	-76.1	141.8	173.6	-60.9	0	0	0	0	110.2	Y65 W76	Y65-V78 HydrophobicContact CD2-CB 3.84Å; Y65-V78 HydrophobicContact CD2-CG1 4.12Å; Y65-V78 HydrophobicContact CD2-CG2 4.44Å; Y65-V78 HydrophobicContact CE2-CB 4.49Å; Y65-V78 HydrophobicContact CG-CB 4.15Å; Y65-V78 HydrophobicContact CG-CG1 4.24Å; W76-V78 VanDerWaalsContact C-N 3.3Å; W76-V78 PolarHBondContact O-N 3Å; W76-V78 VanDerWaalsContact O-N 3.14Å
79	D	94.7	Very high	93.8	Very high	61 Å²	61	57.8 Å²	57.8	33%	0.326	31%	0.314	S	S	.	.			trans	-135	140.3	178.8	-176.5	11.7	0	0	0	110.5	Y65 S81 M82	Y65-D79 VanDerWaalsContact CE1-O 3.3Å; Y65-D79 WeakPolarHBondContact CE1-O 3.46Å; D79-S81 VanDerWaalsContact CG-OG 3.29Å; D79-S81 PolarHBondContact O-N 2.88Å; D79-S81 PolarHBondContact OD1-N 3.38Å; D79-S81 PolarHBondContact OD2-OG 3.06Å; D79-M82 HydrophobicContact CB-CG 4.09Å; D79-M82 HydrophobicContact CB-SD 4.16Å; D79-M82 PolarHBondContact N-SD 3.28Å; D79-M82 VanDerWaalsContact O-CB 3.26Å; D79-M82 WeakPolarHBondContact O-CB 3.3Å; D79-M82 VanDerWaalsContact O-CG 3.31Å; D79-M82 WeakPolarHBondContact O-CG 3.33Å; D79-M82 PolarHBondContact O-N 2.93Å; D79-M82 VanDerWaalsContact O-N 3.16Å
80	G	94.9	Very high	94	Very high	46 Å²	46	57.7 Å²	57.7	47%	0.474	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.6	177.3	0	0	0	0	0	113.1	M82	G80-M82 PolarHBondContact O-N 2.97Å
81	S	96.1	Very high	94.4	Very high	36 Å²	36	55.7 Å²	55.7	25%	0.252	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-71.5	-8.9	177.9	78.4	0	0	0	0	114.1	D79 V83 H114 N117	D79-S81 VanDerWaalsContact CG-OG 3.29Å; D79-S81 PolarHBondContact O-N 2.88Å; D79-S81 PolarHBondContact OD1-N 3.38Å; D79-S81 PolarHBondContact OD2-OG 3.06Å; S81-V83 PolarHBondContact O-N 3.3Å; S81-H114 PolarHBondContact O-NE2 3.48Å; S81-N117 VanDerWaalsContact OG-CB 3.31Å; S81-N117 WeakPolarHBondContact OG-CB 3.27Å; S81-N117 PolarHBondContact OG-N 3.21Å
82	M	96.3	Very high	94.7	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-71.5	-16.6	178.5	-67.6	170.8	67.2	0	0	113.6	N47 Y65 T66 M69 T74 D79 G80 F116	N47-M82 PolarHBondContact ND2-O 3.14Å; Y65-M82 HydrophobicContact CD1-CB 4.01Å; Y65-M82 HydrophobicContact CD1-CE 4.41Å; Y65-M82 HydrophobicContact CD1-SD 4.23Å; Y65-M82 HydrophobicContact CE1-CB 4.08Å; T66-M82 HydrophobicContact CG2-CE 3.83Å; M69-M82 HydrophobicContact CB-CE 3.73Å; M69-M82 WeakPolarHBondContact CE-O 3.46Å; M69-M82 HydrophobicContact CG-CE 4.35Å; M69-M82 HydrophobicContact SD-CB 3.61Å; M69-M82 HydrophobicContact SD-CE 3.79Å; M69-M82 HydrophobicContact SD-CG 3.88Å; T74-M82 HydrophobicContact CG2-CE 3.53Å; T74-M82 HydrophobicContact CG2-SD 3.91Å; T74-M82 WeakPolarHBondContact OG1-CE 3.31Å; D79-M82 HydrophobicContact CB-CG 4.09Å; D79-M82 HydrophobicContact CB-SD 4.16Å; D79-M82 PolarHBondContact N-SD 3.28Å; D79-M82 VanDerWaalsContact O-CB 3.26Å; D79-M82 WeakPolarHBondContact O-CB 3.3Å; D79-M82 VanDerWaalsContact O-CG 3.31Å; D79-M82 WeakPolarHBondContact O-CG 3.33Å; D79-M82 PolarHBondContact O-N 2.93Å; D79-M82 VanDerWaalsContact O-N 3.16Å; G80-M82 PolarHBondContact O-N 2.97Å; M82-F116 HydrophobicContact CG-CB 4.1Å
83	V	97.2	Very high	95	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.036	29%	0.29	C	S	.	.	S	Bend	trans	-71.8	122.8	178.7	-177.9	0	0	0	0	109.2	Y49 V63 Y65 S81 W87 H88 L91 H114	Y49-V83 HydrophobicContact CE1-CG1 4.11Å; V63-V83 HydrophobicContact CG1-CG2 4.31Å; Y65-V83 HydrophobicContact CE1-CG2 3.8Å; S81-V83 PolarHBondContact O-N 3.3Å; V83-W87 HydrophobicContact CG1-CB 3.9Å; V83-H88 HydrophobicContact CG1-CB 4.16Å; V83-L91 HydrophobicContact CG1-CD2 4.17Å; V83-L91 HydrophobicContact CG2-CD2 3.82Å; V83-H114 PolarHBondContact O-NE2 2.84Å
84	P	96.1	Very high	95.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.			trans	-71.8	158.1	178.5	34.6	-37.8	0	0	0	111.2	D43 Y45 Y49 E86 W87 H88 H114	D43-P84 HydrophobicContact CB-CG 4.18Å; D43-P84 VanDerWaalsContact OD2-CD 3.31Å; D43-P84 WeakPolarHBondContact OD2-CD 3.32Å; Y45-P84 HydrophobicContact CD2-CG 4.49Å; Y45-P84 HydrophobicContact CE2-CB 4.15Å; Y45-P84 HydrophobicContact CE2-CG 4.46Å; Y49-P84 VanDerWaalsContact OH-CD 3.29Å; Y49-P84 WeakPolarHBondContact OH-CD 3.22Å; P84-E86 WeakPolarHBondContact CB-OE1 3.25Å; P84-E86 HydrophobicContact CG-CG 4.36Å; P84-E86 PolarHBondContact O-N 3.48Å; P84-E86 VanDerWaalsContact O-N 3.12Å; P84-W87 HydrophobicContact CG-CB 4.25Å; P84-W87 HydrophobicContact CG-CG 4.44Å; P84-W87 PolarHBondContact O-N 3.45Å; P84-H88 PolarHBondContact O-N 3.04Å; P84-H114 HydrophobicContact CB-CB 4.1Å
85	A	94.3	Very high	95.3	Very high	70 Å²	70	57.3 Å²	57.3	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-56.5	-34.9	-171	0	0	0	0	0	113.8
86	E	93.7	Very high	95.4	Very high	51 Å²	51	60.8 Å²	60.8	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-39.7	178.2	62.3	-87.8	-161.5	0	0	113.1	P84 P99 P104	P84-E86 WeakPolarHBondContact CB-OE1 3.25Å; P84-E86 HydrophobicContact CG-CG 4.36Å; P84-E86 PolarHBondContact O-N 3.48Å; P84-E86 VanDerWaalsContact O-N 3.12Å; E86-P99 HydrophobicContact CB-CB 3.88Å; E86-P99 HydrophobicContact CB-CG 4.29Å; E86-P99 HydrophobicContact CG-CB 4.2Å; E86-P99 HydrophobicContact CG-CG 4.28Å; E86-P104 HydrophobicContact CB-CG 4Å
87	W	96.6	Very high	95.5	Very high	9 Å²	9	56.6 Å²	56.6	3%	0.034	31%	0.307	C	S	.	.	H	α-helix	trans	-86.6	-25.8	179.7	-77.6	102.5	0	0	0	112.5	I40 Y49 V83 P84 R89 W90 L91 P98 P99 T100	I40-W87 HydrophobicContact CG2-CH2 4.25Å; I40-W87 HydrophobicContact CG2-CZ3 4.2Å; Y49-W87 HydrophobicContact CD1-CB 4.31Å; Y49-W87 HydrophobicContact CD1-CD2 4.05Å; Y49-W87 AromaticContact CD1-CE3 3.66Å; Y49-W87 HydrophobicContact CD1-CE3 3.66Å; Y49-W87 HydrophobicContact CD1-CG 4.36Å; Y49-W87 HydrophobicContact CD1-CZ3 4.31Å; Y49-W87 AromaticContact CD2-CD2 3.35Å; Y49-W87 HydrophobicContact CD2-CD2 3.35Å; Y49-W87 AromaticContact CD2-CE2 3.53Å; Y49-W87 AromaticContact CD2-CE3 3.48Å; Y49-W87 HydrophobicContact CD2-CE3 3.48Å; Y49-W87 VanDerWaalsContact CD2-CE3 3.48Å; Y49-W87 AromaticContact CD2-CG 3.9Å; Y49-W87 HydrophobicContact CD2-CG 3.9Å; Y49-W87 AromaticContact CD2-CH2 3.96Å; Y49-W87 HydrophobicContact CD2-CH2 3.96Å; Y49-W87 AromaticContact CD2-CZ2 3.83Å; Y49-W87 HydrophobicContact CD2-CZ2 3.83Å; Y49-W87 AromaticContact CD2-CZ3 3.79Å; Y49-W87 HydrophobicContact CD2-CZ3 3.79Å; Y49-W87 HydrophobicContact CE1-CB 3.6Å; Y49-W87 HydrophobicContact CE1-CD2 4.08Å; Y49-W87 HydrophobicContact CE1-CE3 4.12Å; Y49-W87 AromaticContact CE1-CG 3.9Å; Y49-W87 HydrophobicContact CE1-CG 3.9Å; Y49-W87 HydrophobicContact CE2-CB 3.99Å; Y49-W87 AromaticContact CE2-CD1 3.66Å; Y49-W87 AromaticContact CE2-CD2 3.41Å; Y49-W87 HydrophobicContact CE2-CD2 3.41Å; Y49-W87 VanDerWaalsContact CE2-CD2 3.41Å; Y49-W87 AromaticContact CE2-CE2 3.66Å; Y49-W87 AromaticContact CE2-CE3 3.98Å; Y49-W87 HydrophobicContact CE2-CE3 3.98Å; Y49-W87 AromaticContact CE2-CG 3.42Å; Y49-W87 HydrophobicContact CE2-CG 3.42Å; Y49-W87 VanDerWaalsContact CE2-CG 3.42Å; Y49-W87 HydrophobicContact CE2-CZ2 4.37Å; Y49-W87 AromaticContact CE2-NE1 3.8Å; Y49-W87 AromaticContact CG-CD2 3.7Å; Y49-W87 HydrophobicContact CG-CD2 3.7Å; Y49-W87 AromaticContact CG-CE3 3.32Å; Y49-W87 HydrophobicContact CG-CE3 3.32Å; Y49-W87 HydrophobicContact CG-CG 4.36Å; Y49-W87 HydrophobicContact CG-CH2 4.18Å; Y49-W87 HydrophobicContact CG-CZ2 4.48Å; Y49-W87 AromaticContact CG-CZ3 3.6Å; Y49-W87 HydrophobicContact CG-CZ3 3.6Å; Y49-W87 VanDerWaalsContact CZ-CB 3.42Å; Y49-W87 AromaticContact CZ-CD1 3.93Å; Y49-W87 AromaticContact CZ-CD2 3.79Å; Y49-W87 AromaticContact CZ-CG 3.41Å; Y49-W87 VanDerWaalsContact CZ-CG 3.41Å; V83-W87 HydrophobicContact CG1-CB 3.9Å; P84-W87 HydrophobicContact CG-CB 4.25Å; P84-W87 HydrophobicContact CG-CG 4.44Å; P84-W87 PolarHBondContact O-N 3.45Å; W87-R89 VanDerWaalsContact C-N 3.28Å; W87-R89 PolarHBondContact O-N 3.13Å; W87-W90 HydrophobicContact CE3-CD2 4.41Å; W87-W90 AromaticContact CE3-CE3 3.9Å; W87-W90 HydrophobicContact CE3-CE3 3.9Å; W87-W90 HydrophobicContact CZ3-CD2 4.29Å; W87-W90 AromaticContact CZ3-CE3 3.97Å; W87-W90 HydrophobicContact CZ3-CE3 3.97Å; W87-W90 HydrophobicContact CZ3-CZ3 4.35Å; W87-W90 PolarHBondContact O-N 2.82Å; W87-W90 VanDerWaalsContact O-N 3.16Å; W87-L91 WeakPolarHBondContact O-CB 3.24Å; W87-L91 PolarHBondContact O-N 2.85Å; W87-P98 HydrophobicContact CH2-CB 4.35Å; W87-P98 HydrophobicContact CZ3-CB 4.07Å; W87-P99 HydrophobicContact CD2-CG 3.42Å; W87-P99 VanDerWaalsContact CD2-CG 3.42Å; W87-P99 VanDerWaalsContact CE2-CG 3.41Å; W87-P99 HydrophobicContact CE3-CG 3.81Å; W87-P99 HydrophobicContact CG-CG 3.81Å; W87-P99 HydrophobicContact CH2-CG 4.17Å; W87-P99 HydrophobicContact CZ2-CG 3.82Å; W87-P99 HydrophobicContact CZ3-CG 4.16Å; W87-T100 HydrophobicContact CH2-CG2 3.84Å; W87-T100 HydrophobicContact CZ2-CG2 3.72Å
88	H	97	Very high	95.7	Very high	70 Å²	70	51.7 Å²	51.7	32%	0.324	29%	0.286	S	S	.	.	H	α-helix	trans	-56.6	-41.8	177.5	-174.2	-79.6	0	0	0	111.7	V83 P84 W90 H92	V83-H88 HydrophobicContact CG1-CB 4.16Å; P84-H88 PolarHBondContact O-N 3.04Å; H88-W90 PolarHBondContact O-N 3.24Å; H88-H92 AromaticContact CD2-CD2 3.54Å; H88-H92 AromaticContact CD2-NE2 3.68Å; H88-H92 AromaticContact CE1-CD2 3.42Å; H88-H92 PolarHBondContact CE1-CD2 2.87Å; H88-H92 VanDerWaalsContact CE1-CD2 3.42Å; H88-H92 AromaticContact CE1-CG 3.98Å; H88-H92 AromaticContact CE1-NE2 3.91Å; H88-H92 AromaticContact CG-CD2 3.7Å; H88-H92 AromaticContact ND1-CD2 3.63Å; H88-H92 AromaticContact NE2-CD2 3.38Å; H88-H92 PolarHBondContact NE2-CD2 2.93Å; H88-H92 AromaticContact NE2-NE2 3.42Å; H88-H92 PolarHBondContact NE2-NE2 3.47Å; H88-H92 WeakPolarHBondContact O-CB 3.27Å; H88-H92 PolarHBondContact O-CD2 3.4Å; H88-H92 VanDerWaalsContact O-CD2 3.24Å; H88-H92 PolarHBondContact O-N 3.46Å
89	R	96.2	Very high	95.7	Very high	133 Å²	133	49.7 Å²	49.7	50%	0.502	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177.4	-68.7	177.2	63.2	-145.9	-2	112.6	W87 C93 M94 T95	W87-R89 VanDerWaalsContact C-N 3.28Å; W87-R89 PolarHBondContact O-N 3.13Å; R89-C93 PolarHBondContact O-N 2.89Å; R89-M94 HydrophobicContact CB-CB 4.36Å; R89-M94 HydrophobicContact CG-SD 4.22Å; R89-M94 WeakPolarHBondContact O-CB 3.34Å; R89-M94 PolarHBondContact O-N 2.99Å; R89-T95 HydrophobicContact CB-CG2 3.91Å
90	W	96.8	Very high	95.6	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-73.6	-43.8	-177.9	178.6	81.3	0	0	0	111.9	I40 Y49 E51 R61 W87 H88 H92 C93 D96 P98	I40-W90 HydrophobicContact CB-CH2 4.13Å; I40-W90 HydrophobicContact CB-CZ2 4.13Å; I40-W90 HydrophobicContact CG1-CH2 3.92Å; I40-W90 HydrophobicContact CG1-CZ2 3.78Å; I40-W90 HydrophobicContact CG2-CH2 4.33Å; I40-W90 HydrophobicContact CG2-CZ2 3.94Å; Y49-W90 HydrophobicContact CD1-CE3 4.42Å; Y49-W90 HydrophobicContact CD1-CZ3 4.25Å; Y49-W90 HydrophobicContact CG-CZ3 4.42Å; E51-W90 HydrophobicContact CB-CH2 4.08Å; E51-W90 HydrophobicContact CB-CZ2 3.97Å; E51-W90 HydrophobicContact CG-CZ2 4.43Å; R61-W90 HydrophobicContact CB-CH2 4.11Å; R61-W90 HydrophobicContact CB-CZ3 4.22Å; R61-W90 WeakPolarHBondContact CD-O 3.4Å; R61-W90 HydrophobicContact CG-CH2 3.7Å; R61-W90 HydrophobicContact CG-CZ2 3.74Å; R61-W90 HydrophobicContact CG-CZ3 4.2Å; R61-W90 PolarHBondContact NH1-O 3.31Å; W87-W90 HydrophobicContact CE3-CD2 4.41Å; W87-W90 AromaticContact CE3-CE3 3.9Å; W87-W90 HydrophobicContact CE3-CE3 3.9Å; W87-W90 HydrophobicContact CZ3-CD2 4.29Å; W87-W90 AromaticContact CZ3-CE3 3.97Å; W87-W90 HydrophobicContact CZ3-CE3 3.97Å; W87-W90 HydrophobicContact CZ3-CZ3 4.35Å; W87-W90 PolarHBondContact O-N 2.82Å; W87-W90 VanDerWaalsContact O-N 3.16Å; H88-W90 PolarHBondContact O-N 3.24Å; W90-H92 VanDerWaalsContact C-N 3.33Å; W90-H92 PolarHBondContact O-N 3.41Å; W90-C93 PolarHBondContact O-N 3.01Å; W90-C93 VanDerWaalsContact O-N 3.09Å; W90-D96 PolarHBondContact NE1-O 3.23Å; W90-P98 HydrophobicContact CD2-CB 4.37Å; W90-P98 HydrophobicContact CG-CB 4.08Å
91	L	97.1	Very high	95.5	Very high	30 Å²	30	53 Å²	53	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-40.6	179.4	-174.7	66.2	0	0	0	111.7	V63 V83 W87 C93	V63-L91 HydrophobicContact CB-CD1 4.39Å; V63-L91 HydrophobicContact CB-CD2 4.34Å; V63-L91 HydrophobicContact CG1-CD1 4.5Å; V63-L91 HydrophobicContact CG1-CD2 3.91Å; V83-L91 HydrophobicContact CG1-CD2 4.17Å; V83-L91 HydrophobicContact CG2-CD2 3.82Å; W87-L91 WeakPolarHBondContact O-CB 3.24Å; W87-L91 PolarHBondContact O-N 2.85Å; L91-C93 PolarHBondContact O-N 3.03Å
92	H	97.3	Very high	95.3	Very high	107 Å²	107	56 Å²	56	50%	0.495	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	15.6	176.6	-70.4	-82.2	0	0	0	114	H88 W90 M94	H88-H92 AromaticContact CD2-CD2 3.54Å; H88-H92 AromaticContact CD2-NE2 3.68Å; H88-H92 AromaticContact CE1-CD2 3.42Å; H88-H92 PolarHBondContact CE1-CD2 2.87Å; H88-H92 VanDerWaalsContact CE1-CD2 3.42Å; H88-H92 AromaticContact CE1-CG 3.98Å; H88-H92 AromaticContact CE1-NE2 3.91Å; H88-H92 AromaticContact CG-CD2 3.7Å; H88-H92 AromaticContact ND1-CD2 3.63Å; H88-H92 AromaticContact NE2-CD2 3.38Å; H88-H92 PolarHBondContact NE2-CD2 2.93Å; H88-H92 AromaticContact NE2-NE2 3.42Å; H88-H92 PolarHBondContact NE2-NE2 3.47Å; H88-H92 WeakPolarHBondContact O-CB 3.27Å; H88-H92 PolarHBondContact O-CD2 3.4Å; H88-H92 VanDerWaalsContact O-CD2 3.24Å; H88-H92 PolarHBondContact O-N 3.46Å; W90-H92 VanDerWaalsContact C-N 3.33Å; W90-H92 PolarHBondContact O-N 3.41Å; H92-M94 HydrophobicContact CB-CE 4.28Å; H92-M94 HydrophobicContact CB-CG 4.42Å; H92-M94 PolarHBondContact O-N 3.37Å; H92-M94 VanDerWaalsContact O-N 3.11Å
93	C	96.1	Very high	95.1	Very high	42 Å²	42	60.3 Å²	60.3	28%	0.284	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	28.4	174.3	-52.7	0	0	0	0	114.2	F57 H60 R89 W90 L91	F57-C93 HydrophobicContact CE2-CB 4.01Å; F57-C93 HydrophobicContact CZ-CB 4.12Å; H60-C93 VanDerWaalsContact CE1-SG 3.51Å; R89-C93 PolarHBondContact O-N 2.89Å; W90-C93 PolarHBondContact O-N 3.01Å; W90-C93 VanDerWaalsContact O-N 3.09Å; L91-C93 PolarHBondContact O-N 3.03Å
94	M	96.5	Very high	94.8	Very high	123 Å²	123	63.4 Å²	63.4	61%	0.606	35%	0.345	S	S	*	.	S	Bend	trans	-74.7	-19.3	172.1	-55.8	-176.6	178.8	0	0	111.8	R89 H92	R89-M94 HydrophobicContact CB-CB 4.36Å; R89-M94 HydrophobicContact CG-SD 4.22Å; R89-M94 WeakPolarHBondContact O-CB 3.34Å; R89-M94 PolarHBondContact O-N 2.99Å; H92-M94 HydrophobicContact CB-CE 4.28Å; H92-M94 HydrophobicContact CB-CG 4.42Å; H92-M94 PolarHBondContact O-N 3.37Å; H92-M94 VanDerWaalsContact O-N 3.11Å
95	T	94.7	Very high	94.6	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.16	38%	0.378	C	S	.	.			trans	-152.1	147.3	-179.9	177.9	0	0	0	0	108.8	R61 R89 N97	R61-T95 PolarHBondContact NH1-O 3.34Å; R89-T95 HydrophobicContact CB-CG2 3.91Å; T95-N97 WeakPolarHBondContact CG2-O 3.23Å; T95-N97 PolarHBondContact OG1-N 3.46Å
96	D	94.6	Very high	94.4	Very high	120 Å²	120	71 Å²	71	64%	0.642	39%	0.387	S	S	*	.	S	Bend	trans	-79.8	-25.7	171.8	-65.5	-42.8	0	0	0	112.4	R61 W90 P98	R61-D96 IonicContact NH2-OD1 3.31Å; R61-D96 PolarHBondContact NH2-OD1 3.5Å; W90-D96 PolarHBondContact NE1-O 3.23Å; D96-P98 WeakPolarHBondContact O-CD 3.47Å
97	N	94.1	Very high	94.3	Very high	77 Å²	77	74.3 Å²	74.3	41%	0.412	40%	0.401	S	S	.	.	S	Bend	trans	-78.9	119.5	-177.6	-67.5	-40.5	0	0	0	111.8	T95 H102	T95-N97 WeakPolarHBondContact CG2-O 3.23Å; T95-N97 PolarHBondContact OG1-N 3.46Å; N97-H102 HydrophobicContact CB-CB 4.04Å; N97-H102 WeakPolarHBondContact CB-ND1 3.28Å; N97-H102 VanDerWaalsContact CG-CE1 3.42Å; N97-H102 PolarHBondContact OD1-CE1 2.96Å; N97-H102 VanDerWaalsContact OD1-CE1 3.31Å
98	P	94.7	Very high	94.2	Very high	16 Å²	16	84.2 Å²	84.2	10%	0.104	44%	0.444	C	S	.	.			trans	-75	158	173.4	31.6	-35	0	0	0	111.3	I40 W87 W90 D96 T100 T101 H102	I40-P98 HydrophobicContact CG2-CB 3.66Å; I40-P98 HydrophobicContact CG2-CG 3.78Å; W87-P98 HydrophobicContact CH2-CB 4.35Å; W87-P98 HydrophobicContact CZ3-CB 4.07Å; W90-P98 HydrophobicContact CD2-CB 4.37Å; W90-P98 HydrophobicContact CG-CB 4.08Å; D96-P98 WeakPolarHBondContact O-CD 3.47Å; P98-T100 WeakPolarHBondContact CG-OG1 3.3Å; P98-T100 PolarHBondContact O-N 3.31Å; P98-T100 VanDerWaalsContact O-N 3.16Å; P98-T101 PolarHBondContact O-N 2.96Å; P98-T101 VanDerWaalsContact O-N 3.13Å; P98-H102 PolarHBondContact O-N 3.32Å
99	P	94.2	Very high	94	Very high	18 Å²	18	87.9 Å²	87.9	12%	0.117	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.7	179.6	29.5	-36.8	0	0	0	113.6	E86 W87 P103	E86-P99 HydrophobicContact CB-CB 3.88Å; E86-P99 HydrophobicContact CB-CG 4.29Å; E86-P99 HydrophobicContact CG-CB 4.2Å; E86-P99 HydrophobicContact CG-CG 4.28Å; W87-P99 HydrophobicContact CD2-CG 3.42Å; W87-P99 VanDerWaalsContact CD2-CG 3.42Å; W87-P99 VanDerWaalsContact CE2-CG 3.41Å; W87-P99 HydrophobicContact CE3-CG 3.81Å; W87-P99 HydrophobicContact CG-CG 3.81Å; W87-P99 HydrophobicContact CH2-CG 4.17Å; W87-P99 HydrophobicContact CZ2-CG 3.82Å; W87-P99 HydrophobicContact CZ3-CG 4.16Å; P99-P103 VanDerWaalsContact O-CA 3.27Å; P99-P103 WeakPolarHBondContact O-CA 3.31Å
100	T	93.1	Very high	93.8	Very high	80 Å²	80	86 Å²	86	49%	0.491	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.1	171.9	45.9	0	0	0	0	112.4	W87 P98	W87-T100 HydrophobicContact CH2-CG2 3.84Å; W87-T100 HydrophobicContact CZ2-CG2 3.72Å; P98-T100 WeakPolarHBondContact CG-OG1 3.3Å; P98-T100 PolarHBondContact O-N 3.31Å; P98-T100 VanDerWaalsContact O-N 3.16Å
101	T	92.6	Very high	93.4	Very high	95 Å²	95	89.6 Å²	89.6	58%	0.583	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-37.1	177.4	-46.8	0	0	0	0	111.6	P98 P103	P98-T101 PolarHBondContact O-N 2.96Å; P98-T101 VanDerWaalsContact O-N 3.13Å; T101-P103 WeakPolarHBondContact O-CD 3.33Å
102	H	92.9	Very high	93	Very high	99 Å²	99	96.4 Å²	96.4	46%	0.458	52%	0.52	S	S	.	.	S	Bend	trans	-125.2	77.9	-176.6	-65.5	80	0	0	0	110	N97 P98	N97-H102 HydrophobicContact CB-CB 4.04Å; N97-H102 WeakPolarHBondContact CB-ND1 3.28Å; N97-H102 VanDerWaalsContact CG-CE1 3.42Å; N97-H102 PolarHBondContact OD1-CE1 2.96Å; N97-H102 VanDerWaalsContact OD1-CE1 3.31Å; P98-H102 PolarHBondContact O-N 3.32Å
103	P	92.4	Very high	92.7	Very high	94 Å²	94	95.2 Å²	95.2	61%	0.61	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-64	146.5	-176.3	26	-34.2	0	0	0	111.4	P99 T101	P99-P103 VanDerWaalsContact O-CA 3.27Å; P99-P103 WeakPolarHBondContact O-CA 3.31Å; T101-P103 WeakPolarHBondContact O-CD 3.33Å
104	P	90.4	Very high	92.6	Very high	70 Å²	70	95.4 Å²	95.4	46%	0.455	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-64.4	145.6	175.5	29.8	-36.7	0	0	0	110.6	E86 P106	E86-P104 HydrophobicContact CB-CG 4Å; P104-P106 WeakPolarHBondContact O-CD 3.15Å
105	T	92.2	Very high	92.5	Very high	110 Å²	110	96 Å²	96	68%	0.675	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62.3	120.4	175.2	-47.6	0	0	0	0	109.9	K107	T105-K107 PolarHBondContact O-N 3.37Å
106	P	89.1	Confident	92.5	Very high	120 Å²	120	96.3 Å²	96.3	78%	0.779	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-66.7	133.9	179.9	26.9	-33.3	0	0	0	109.8	P104	P104-P106 WeakPolarHBondContact O-CD 3.15Å
107	K	92.4	Very high	92.6	Very high	120 Å²	120	95.1 Å²	95.1	52%	0.522	51%	0.511	S	S	.	.			trans	-130.7	138.7	173.8	-59.3	-175.4	-178.3	178	0	109	T105 F109 L110	T105-K107 PolarHBondContact O-N 3.37Å; K107-F109 HydrophobicContact CB-CD1 4.05Å; K107-F109 HydrophobicContact CB-CE1 3.71Å; K107-F109 HydrophobicContact CB-CE2 4.32Å; K107-F109 HydrophobicContact CB-CZ 3.88Å; K107-F109 HydrophobicContact CD-CE1 3.6Å; K107-F109 HydrophobicContact CD-CE2 4.05Å; K107-F109 HydrophobicContact CD-CZ 3.22Å; K107-F109 HydrophobicContact CG-CE1 4.23Å; K107-F109 HydrophobicContact CG-CZ 4.18Å; K107-F109 PolarHBondContact O-N 3.27Å; K107-L110 HydrophobicContact CB-CD1 4Å; K107-L110 HydrophobicContact CB-CG 4.01Å; K107-L110 HydrophobicContact CG-CD1 4.36Å; K107-L110 WeakPolarHBondContact O-CB 3.23Å; K107-L110 PolarHBondContact O-N 2.91Å
108	K	93.2	Very high	92.6	Very high	218 Å²	218	92.9 Å²	92.9	95%	0.948	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.9	-176.7	63.5	177.4	178.2	179	0	115.9
109	F	92.9	Very high	92.7	Very high	146 Å²	146	96.6 Å²	96.6	64%	0.64	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.9	-177.4	60.1	-102.6	0	0	0	113.2	K107	K107-F109 HydrophobicContact CB-CD1 4.05Å; K107-F109 HydrophobicContact CB-CE1 3.71Å; K107-F109 HydrophobicContact CB-CE2 4.32Å; K107-F109 HydrophobicContact CB-CZ 3.88Å; K107-F109 HydrophobicContact CD-CE1 3.6Å; K107-F109 HydrophobicContact CD-CE2 4.05Å; K107-F109 HydrophobicContact CD-CZ 3.22Å; K107-F109 HydrophobicContact CG-CE1 4.23Å; K107-F109 HydrophobicContact CG-CZ 4.18Å; K107-F109 PolarHBondContact O-N 3.27Å
110	L	91.8	Very high	92.6	Very high	93 Å²	93	99.8 Å²	99.8	49%	0.487	56%	0.562	S	S	.	*	S	Bend	trans	-70.4	137.1	176	-71.1	172.4	0	0	0	109	K107 E112	K107-L110 HydrophobicContact CB-CD1 4Å; K107-L110 HydrophobicContact CB-CG 4.01Å; K107-L110 HydrophobicContact CG-CD1 4.36Å; K107-L110 WeakPolarHBondContact O-CB 3.23Å; K107-L110 PolarHBondContact O-N 2.91Å; L110-E112 PolarHBondContact O-N 2.95Å
111	A	89.9	Confident	92.6	Very high	77 Å²	77	98.5 Å²	98.5	64%	0.636	56%	0.556	S	S	*	*			trans	-61.9	120.6	175.7	0	0	0	0	0	109.6	V113	A111-V113 PolarHBondContact O-N 3.18Å
112	E	87.1	Confident	92.7	Very high	173 Å²	173	99.4 Å²	99.4	81%	0.808	57%	0.573	S	S	*	*	S	Bend	trans	-61.9	-36.6	175	-65.3	-176.8	171.4	0	0	110.9	K44 L110	K44-E112 WeakPolarHBondContact CE-O 3.27Å; K44-E112 PolarHBondContact NZ-O 2.9Å; L110-E112 PolarHBondContact O-N 2.95Å
113	V	91.5	Very high	92.8	Very high	82 Å²	82	101.5 Å²	101.5	50%	0.497	58%	0.583	S	S	.	*	S	Bend	trans	-113.9	109.8	176.7	-173.2	0	0	0	0	108.8	Y45 A111	Y45-V113 HydrophobicContact CE1-CG1 4.19Å; Y45-V113 WeakPolarHBondContact OH-CA 3.28Å; A111-V113 PolarHBondContact O-N 3.18Å
114	H	94.7	Very high	93	Very high	47 Å²	47	98.6 Å²	98.6	22%	0.218	57%	0.567	C	S	.	*			trans	-53.4	134.3	162	-176.2	66.3	0	0	0	110.9	Y45 N70 S81 V83 P84	Y45-H114 HydrophobicContact CE2-CB 3.87Å; Y45-H114 WeakPolarHBondContact OH-CA 3.34Å; Y45-H114 VanDerWaalsContact OH-CB 3.26Å; Y45-H114 WeakPolarHBondContact OH-CB 3.11Å; Y45-H114 PolarHBondContact OH-N 3.18Å; Y45-H114 PolarHBondContact OH-O 3.46Å; N70-H114 PolarHBondContact ND2-O 3.25Å; S81-H114 PolarHBondContact O-NE2 3.48Å; V83-H114 PolarHBondContact O-NE2 2.84Å; P84-H114 HydrophobicContact CB-CB 4.1Å
115	Q	93.9	Very high	93.3	Very high	135 Å²	135	104 Å²	104	63%	0.631	58%	0.58	S	S	*	*			trans	-110.3	126.6	173.6	-67.7	-177	-17.9	0	0	107.9
116	F	94.9	Very high	93.6	Very high	33 Å²	33	104 Å²	104	15%	0.145	58%	0.58	C	S	.	*			trans	-70.8	176.4	171.5	60.7	-104.1	0	0	0	110.6	M69 N70 K72 M82 V118	M69-F116 HydrophobicContact CG-CD1 4.1Å; M69-F116 HydrophobicContact CG-CE1 4.46Å; M69-F116 HydrophobicContact SD-CD1 4.48Å; N70-F116 HydrophobicContact CB-CD1 4.34Å; N70-F116 HydrophobicContact CB-CE1 3.78Å; K72-F116 HydrophobicContact CB-CE1 4.34Å; K72-F116 HydrophobicContact CB-CZ 3.98Å; K72-F116 HydrophobicContact CD-CE2 4.16Å; K72-F116 HydrophobicContact CD-CZ 3.82Å; M82-F116 HydrophobicContact CG-CB 4.1Å; F116-V118 PolarHBondContact O-N 3.08Å; F116-V118 VanDerWaalsContact O-N 3.12Å
117	N	96.3	Very high	94	Very high	95 Å²	95	103.1 Å²	103.1	51%	0.508	57%	0.574	S	S	.	*			trans	-61.1	113.8	-179.5	-177.2	13	0	0	0	111.9	S81 S119	S81-N117 VanDerWaalsContact OG-CB 3.31Å; S81-N117 WeakPolarHBondContact OG-CB 3.27Å; S81-N117 PolarHBondContact OG-N 3.21Å; N117-S119 WeakPolarHBondContact OD1-CB 3.46Å; N117-S119 PolarHBondContact OD1-N 3.21Å
118	V	95.3	Very high	94.2	Very high	30 Å²	30	105.5 Å²	105.5	18%	0.182	58%	0.58	C	S	.	*			trans	-96.4	10.3	179.7	-70.6	0	0	0	0	113.4	F116 G120 S121 Q123 A124	F116-V118 PolarHBondContact O-N 3.08Å; F116-V118 VanDerWaalsContact O-N 3.12Å; V118-G120 PolarHBondContact O-N 3.44Å; V118-S121 WeakPolarHBondContact O-CB 3.49Å; V118-S121 PolarHBondContact O-N 3.1Å; V118-S121 VanDerWaalsContact O-N 3.1Å; V118-S121 PolarHBondContact O-OG 3.17Å; V118-Q123 HydrophobicContact CB-CB 4.02Å; V118-Q123 HydrophobicContact CG1-CB 4.07Å; V118-Q123 HydrophobicContact CG2-CB 4.42Å; V118-Q123 WeakPolarHBondContact CG2-O 3.48Å; V118-A124 WeakPolarHBondContact O-CB 3.49Å
119	S	95.6	Very high	94.4	Very high	94 Å²	94	99.3 Å²	99.3	66%	0.657	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	136.5	174.8	-175.3	0	0	0	0	111.5	N117 S121	N117-S119 WeakPolarHBondContact OD1-CB 3.46Å; N117-S119 PolarHBondContact OD1-N 3.21Å; S119-S121 PolarHBondContact O-N 3.24Å
120	G	93.3	Very high	94.7	Very high	84 Å²	84	98 Å²	98	87%	0.866	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.1	0.6	-177.1	0	0	0	0	0	115.1	V118	V118-G120 PolarHBondContact O-N 3.44Å
121	S	93	Very high	94.9	Very high	53 Å²	53	97.6 Å²	97.6	37%	0.371	57%	0.57	S	S	.	*	S	Bend	trans	-100.6	171.1	172.2	81	0	0	0	0	111.9	V118 S119 Q123 A124	V118-S121 WeakPolarHBondContact O-CB 3.49Å; V118-S121 PolarHBondContact O-N 3.1Å; V118-S121 VanDerWaalsContact O-N 3.1Å; V118-S121 PolarHBondContact O-OG 3.17Å; S119-S121 PolarHBondContact O-N 3.24Å; S121-Q123 PolarHBondContact O-N 3.47Å; S121-Q123 VanDerWaalsContact O-N 3.16Å; S121-Q123 PolarHBondContact OG-N 2.93Å; S121-Q123 VanDerWaalsContact OG-N 3.1Å; S121-A124 VanDerWaalsContact O-CB 3.29Å; S121-A124 WeakPolarHBondContact O-CB 3.17Å; S121-A124 PolarHBondContact O-N 3.32Å; S121-A124 VanDerWaalsContact O-N 3.11Å
122	A	95.1	Very high	95.3	Very high	115 Å²	115	104.6 Å²	104.6	95%	0.95	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-16.7	171.7	0	0	0	0	0	113.6
123	Q	94.9	Very high	95.8	Very high	143 Å²	143	101.9 Å²	101.9	67%	0.668	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	5.8	177.8	-65	179.8	-31.6	0	0	113	V118 S121	V118-Q123 HydrophobicContact CB-CB 4.02Å; V118-Q123 HydrophobicContact CG1-CB 4.07Å; V118-Q123 HydrophobicContact CG2-CB 4.42Å; V118-Q123 WeakPolarHBondContact CG2-O 3.48Å; S121-Q123 PolarHBondContact O-N 3.47Å; S121-Q123 VanDerWaalsContact O-N 3.16Å; S121-Q123 PolarHBondContact OG-N 2.93Å; S121-Q123 VanDerWaalsContact OG-N 3.1Å
124	A	96.5	Very high	96.1	Very high	33 Å²	33	106.2 Å²	106.2	27%	0.273	58%	0.578	S	S	.	*			trans	-59.7	146.3	178.5	0	0	0	0	0	112	V118 S121 V126	V118-A124 WeakPolarHBondContact O-CB 3.49Å; S121-A124 VanDerWaalsContact O-CB 3.29Å; S121-A124 WeakPolarHBondContact O-CB 3.17Å; S121-A124 PolarHBondContact O-N 3.32Å; S121-A124 VanDerWaalsContact O-N 3.11Å; A124-V126 PolarHBondContact O-N 2.88Å
125	Y	96.7	Very high	96.2	Very high	184 Å²	184	110.6 Å²	110.6	72%	0.722	60%	0.601	S	S	*	*			trans	-65.6	124.1	174.5	173.1	-107	0	0	0	110.7	P127	Y125-P127 HydrophobicContact CE1-CB 4.07Å
126	V	97.2	Very high	96.3	Very high	110 Å²	110	111.5 Å²	111.5	67%	0.667	61%	0.606	S	S	*	*			trans	-110.1	118.3	173.2	-178.7	0	0	0	0	108.3	A124	A124-V126 PolarHBondContact O-N 2.88Å
127	P	97.5	Very high	96.4	Very high	100 Å²	100	116 Å²	116	65%	0.649	63%	0.627	S	S	*	*			trans	-67.4	140.9	178.9	28.5	-34.1	0	0	0	110.6	Y125	Y125-P127 HydrophobicContact CE1-CB 4.07Å
128	Y	97.3	Very high	96.4	Very high	170 Å²	170	121 Å²	121	67%	0.667	64%	0.639	S	S	*	*			trans	-139.5	159.3	173.9	62.6	-87.7	0	0	0	109.8	T130	Y128-T130 HydrophobicContact CD2-CG2 4.39Å; Y128-T130 HydrophobicContact CE2-CG2 3.89Å; Y128-T130 PolarHBondContact O-N 3.47Å
129	S	97.7	Very high	96.5	Very high	88 Å²	88	125.4 Å²	125.4	62%	0.615	67%	0.666	S	S	*	*			trans	-69.5	114.4	173	-173.1	0	0	0	0	109.4	T131	S129-T131 PolarHBondContact O-N 2.91Å; S129-T131 PolarHBondContact OG-N 2.92Å; S129-T131 PolarHBondContact OG-OG1 3.4Å
130	T	97.9	Very high	96.4	Very high	119 Å²	119	124.7 Å²	124.7	73%	0.73	66%	0.659	S	S	*	*			trans	-75.4	-4.5	173	57.2	0	0	0	0	112.1	Y128	Y128-T130 HydrophobicContact CD2-CG2 4.39Å; Y128-T130 HydrophobicContact CE2-CG2 3.89Å; Y128-T130 PolarHBondContact O-N 3.47Å
131	T	97.9	Very high	96.5	Very high	84 Å²	84	125.9 Å²	125.9	52%	0.515	65%	0.651	S	S	.	*	S	Bend	trans	-85.8	140.5	176.7	70.1	0	0	0	0	111.3	S129	S129-T131 PolarHBondContact O-N 2.91Å; S129-T131 PolarHBondContact OG-N 2.92Å; S129-T131 PolarHBondContact OG-OG1 3.4Å
132	R	96.9	Very high	96.5	Very high	224 Å²	224	133.1 Å²	133.1	85%	0.845	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-76.3	159.7	169	-59.2	-177.1	-172.9	-158.1	1.3	110.2	K134	R132-K134 PolarHBondContact O-N 3.25Å
133	K	97.1	Very high	96.2	Very high	117 Å²	117	132.4 Å²	132.4	51%	0.509	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-51.4	132.9	171	-171.6	177.1	-162.4	159	0	111.1	I135 E137	K133-I135 WeakPolarHBondContact CD-O 3.38Å; K133-I135 WeakPolarHBondContact CE-O 3.4Å; K133-I135 VanDerWaalsContact CG-O 3.28Å; K133-I135 WeakPolarHBondContact CG-O 3.45Å; K133-E137 VanDerWaalsContact CE-CD 3.42Å; K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 WeakPolarHBondContact CE-OE2 3.34Å; K133-E137 IonicContact NZ-OE1 2.72Å; K133-E137 PolarHBondContact NZ-OE1 3.44Å; K133-E137 IonicContact NZ-OE2 2.89Å; K133-E137 PolarHBondContact NZ-OE2 3.42Å
134	K	97.9	Very high	95.2	Very high	172 Å²	172	138.5 Å²	138.5	75%	0.748	70%	0.699	S	S	*	*	S	Bend	trans	-89.4	-39.8	-175.4	-61.1	-59.7	-174.1	177	0	113.5	R132	R132-K134 PolarHBondContact O-N 3.25Å
135	I	97.5	Very high	95.1	Very high	139 Å²	139	143.8 Å²	143.8	71%	0.713	72%	0.72	S	S	*	*	S	Bend	trans	-110.3	125	-178.8	-58.8	173.5	0	0	0	107.3	K133	K133-I135 WeakPolarHBondContact CD-O 3.38Å; K133-I135 WeakPolarHBondContact CE-O 3.4Å; K133-I135 VanDerWaalsContact CG-O 3.28Å; K133-I135 WeakPolarHBondContact CG-O 3.45Å
136	H	96.7	Very high	95.1	Very high	155 Å²	155	141.7 Å²	141.7	72%	0.718	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-93.2	127.3	176.1	-65.3	-75	0	0	0	109.5
137	E	96.6	Very high	94.9	Very high	126 Å²	126	143.4 Å²	143.4	59%	0.589	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-76.1	147.7	175	-57.2	84.1	174.6	0	0	111	K133	K133-E137 VanDerWaalsContact CE-CD 3.42Å; K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 WeakPolarHBondContact CE-OE2 3.34Å; K133-E137 IonicContact NZ-OE1 2.72Å; K133-E137 PolarHBondContact NZ-OE1 3.44Å; K133-E137 IonicContact NZ-OE2 2.89Å; K133-E137 PolarHBondContact NZ-OE2 3.42Å
138	W	96.4	Very high	94.8	Very high	201 Å²	201	146 Å²	146	76%	0.761	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71.8	131.4	163.5	175.4	71.3	0	0	0	109.9	P140	W138-P140 HydrophobicContact CE3-CB 4.29Å; W138-P140 HydrophobicContact CH2-CB 3.58Å; W138-P140 HydrophobicContact CZ2-CB 4.21Å; W138-P140 HydrophobicContact CZ3-CB 3.63Å; W138-P140 HydrophobicContact CZ3-CG 4.44Å
139	V	96.2	Very high	94.6	Very high	123 Å²	123	144.5 Å²	144.5	75%	0.745	73%	0.731	S	S	*	*			trans	-98.6	115.5	175.1	-179	0	0	0	0	108.4
140	P	95.2	Very high	94.4	Very high	79 Å²	79	148.3 Å²	148.3	51%	0.513	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-67.5	148.9	-178.3	25.8	-33	0	0	0	112	W138	W138-P140 HydrophobicContact CE3-CB 4.29Å; W138-P140 HydrophobicContact CH2-CB 3.58Å; W138-P140 HydrophobicContact CZ2-CB 4.21Å; W138-P140 HydrophobicContact CZ3-CB 3.63Å; W138-P140 HydrophobicContact CZ3-CG 4.44Å
141	P	95.4	Very high	94.2	Very high	108 Å²	108	150.4 Å²	150.4	70%	0.701	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-65.4	149	172.1	28.8	-33.8	0	0	0	110.8
142	K	91.8	Very high	93.9	Very high	205 Å²	205	155.5 Å²	155.5	89%	0.891	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.6	136.9	172.4	-70.1	-175.8	179.2	-179.1	0	109.6
143	A	87.9	Confident	93.6	Very high	101 Å²	101	149.8 Å²	149.8	84%	0.835	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.4	170	0	0	0	0	0	110.1
144	Q	75	Confident	93.3	Very high	271 Å²	271	152.7 Å²	152.7	100%	1.266	77%	0.771	S	S	*	*			trans	-70.9	0	173.2	-79.6	179.7	-25.6	0	0	111.5

Retrieved 144 of 144 residues in 57.5 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).