MDHM_SCHMA Loading...

Malate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession P37227, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

						>MDHM_SCHMA|P37227
ASGGIGEPLSLLLKQSPLISQLALYDIAHVKGVAADLSHIETQAHVTAHLGPGELAECLTGANVVIIPAGLPRKPGMTRDDLFNTNASIVAELIDSCAKNCPKAMICIITNPVNSTVPIAAEILKRHNVYDPKRLFGVTTLD
					

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(Predicted Aligned Error values between residue pairs)

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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	A	97.1	Very high	97.5	Very high	18 Å²	18	47.2 Å²	47.2	15%	0.149	31%	0.312	C	S	.	.				0	-26.7	0	0	0	0	0	0	112.6	G6 E7 L24 Y25 D26 V30	A1-G6 CarbonylContact O-C 2.98Å; A1-G6 WeakPolarHBondContact O-CA 3.3Å; A1-E7 PolarHBondContact O-N 3.35Å; A1-L24 HydrophobicContact CB-CB 3.74Å; A1-L24 HydrophobicContact CB-CD2 4.06Å; A1-L24 HydrophobicContact CB-CG 4.33Å; A1-Y25 WeakPolarHBondContact CB-O 3.49Å; A1-Y25 PolarHBondContact N-O 2.84Å; A1-D26 PolarHBondContact N-OD2 3.44Å; A1-V30 HydrophobicContact CB-CG2 4.04Å
2	S	97.4	Very high	97.6	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.154	34%	0.336	C	S	.	.			trans	-94.7	12.1	-172.8	-38.7	0	0	0	0	114	D26 A28 V30	S2-D26 PolarHBondContact N-OD2 3.26Å; S2-D26 WeakPolarHBondContact OG-CB 3.44Å; S2-A28 VanDerWaalsContact CB-O 3.28Å; S2-A28 WeakPolarHBondContact CB-O 3.46Å; S2-A28 PolarHBondContact OG-O 3.28Å; S2-V30 VanDerWaalsContact OG-CA 3.31Å; S2-V30 WeakPolarHBondContact OG-CA 3.48Å; S2-V30 PolarHBondContact OG-N 3.02Å; S2-V30 VanDerWaalsContact OG-N 3.16Å
3	G	95.6	Very high	97.6	Very high	37 Å²	37	51.9 Å²	51.9	38%	0.381	33%	0.327	S	S	.	.	S	Bend	trans	-91.4	169.4	178.2	0	0	0	0	0	112.1	I5 G6 E7	G3-I5 PolarHBondContact O-N 2.92Å; G3-I5 VanDerWaalsContact O-N 3.1Å; G3-G6 WeakPolarHBondContact O-CA 3.33Å; G3-G6 PolarHBondContact O-N 2.91Å; G3-E7 PolarHBondContact O-N 2.7Å
4	G	95.7	Very high	97.7	Very high	75 Å²	75	48.8 Å²	48.8	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.1	-177.2	0	0	0	0	0	115.8	P8	G4-P8 WeakPolarHBondContact O-CD 3.38Å; G4-P8 VanDerWaalsContact O-CG 3.31Å; G4-P8 WeakPolarHBondContact O-CG 3.45Å
5	I	96.7	Very high	97.7	Very high	92 Å²	92	52.7 Å²	52.7	47%	0.472	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-39	168.5	-62.2	172.9	0	0	0	110.6	G3 P8 L9 P68 I109	G3-I5 PolarHBondContact O-N 2.92Å; G3-I5 VanDerWaalsContact O-N 3.1Å; I5-P8 WeakPolarHBondContact O-CD 3.28Å; I5-L9 WeakPolarHBondContact O-CB 3.41Å; I5-L9 PolarHBondContact O-N 3.01Å; I5-L9 VanDerWaalsContact O-N 3.08Å; I5-P68 HydrophobicContact CB-CB 4.09Å; I5-P68 HydrophobicContact CG2-CB 3.7Å; I5-I109 HydrophobicContact CD1-CG2 4.25Å
6	G	97.9	Very high	97.8	Very high	4 Å²	4	51.4 Å²	51.4	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-43.9	-171.3	0	0	0	0	0	113.5	A1 G3 S10	A1-G6 CarbonylContact O-C 2.98Å; A1-G6 WeakPolarHBondContact O-CA 3.3Å; G3-G6 WeakPolarHBondContact O-CA 3.33Å; G3-G6 PolarHBondContact O-N 2.91Å; G6-S10 VanDerWaalsContact O-CB 3.28Å; G6-S10 WeakPolarHBondContact O-CB 3.27Å; G6-S10 PolarHBondContact O-N 3.22Å; G6-S10 PolarHBondContact O-OG 3.26Å
7	E	97.9	Very high	97.8	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-56.4	-177.5	-69.5	-179.1	172.4	0	0	112.4	A1 G3 L9 S10 L11 V33	A1-E7 PolarHBondContact O-N 3.35Å; G3-E7 PolarHBondContact O-N 2.7Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3Å; E7-S10 PolarHBondContact O-N 3.41Å; E7-S10 VanDerWaalsContact O-N 3.16Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-V33 HydrophobicContact CG-CG1 4.29Å; E7-V33 HydrophobicContact CG-CG2 4.14Å
8	P	98.4	Very high	97.8	Very high	66 Å²	66	60 Å²	60	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-33.2	178	25.3	-34.5	0	0	0	112.6	G4 I5 S10 L11 L12	G4-P8 WeakPolarHBondContact O-CD 3.38Å; G4-P8 VanDerWaalsContact O-CG 3.31Å; G4-P8 WeakPolarHBondContact O-CG 3.45Å; I5-P8 WeakPolarHBondContact O-CD 3.28Å; P8-S10 VanDerWaalsContact C-N 3.35Å; P8-L11 WeakPolarHBondContact O-CB 3.17Å; P8-L11 PolarHBondContact O-N 3.32Å; P8-L12 WeakPolarHBondContact O-CG 3.34Å; P8-L12 PolarHBondContact O-N 3.25Å
9	L	98.5	Very high	97.8	Very high	41 Å²	41	59.2 Å²	59.2	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-45.3	172.6	174.4	63.2	0	0	0	111.3	I5 E7 L11 L12 L13 I66 P68 I109	I5-L9 WeakPolarHBondContact O-CB 3.41Å; I5-L9 PolarHBondContact O-N 3.01Å; I5-L9 VanDerWaalsContact O-N 3.08Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 2.87Å; L9-L13 HydrophobicContact CD1-CD1 4.15Å; L9-L13 HydrophobicContact CD1-CG 4.26Å; L9-L13 HydrophobicContact CG-CD1 4Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.74Å; L9-I66 HydrophobicContact CD2-CB 4.47Å; L9-I66 HydrophobicContact CD2-CG2 3.77Å; L9-P68 HydrophobicContact CD2-CG 4.25Å; L9-I109 HydrophobicContact CD2-CD1 4.2Å
10	S	98.7	Very high	97.8	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-37.5	179.6	-57.4	0	0	0	0	111.4	G6 E7 P8 L13 K14 L22 L24 L37	G6-S10 VanDerWaalsContact O-CB 3.28Å; G6-S10 WeakPolarHBondContact O-CB 3.27Å; G6-S10 PolarHBondContact O-N 3.22Å; G6-S10 PolarHBondContact O-OG 3.26Å; E7-S10 PolarHBondContact O-N 3.41Å; E7-S10 VanDerWaalsContact O-N 3.16Å; P8-S10 VanDerWaalsContact C-N 3.35Å; S10-L13 PolarHBondContact O-N 3.19Å; S10-K14 WeakPolarHBondContact O-CB 3.42Å; S10-K14 PolarHBondContact O-N 3.34Å; S10-L22 WeakPolarHBondContact O-CD2 3.4Å; S10-L24 WeakPolarHBondContact OG-CD2 3.3Å; S10-L37 VanDerWaalsContact CB-CD1 3.49Å
11	L	98.7	Very high	97.8	Very high	65 Å²	65	64.8 Å²	64.8	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-59	-50.9	171.9	173.8	61.7	0	0	0	112.1	E7 P8 L9 L13 K14 Q15 L37 I40	E7-L11 PolarHBondContact O-N 3.03Å; P8-L11 WeakPolarHBondContact O-CB 3.17Å; P8-L11 PolarHBondContact O-N 3.32Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.06Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.36Å; L11-K14 PolarHBondContact O-N 3.37Å; L11-Q15 WeakPolarHBondContact O-CG 3.22Å; L11-Q15 PolarHBondContact O-N 3.46Å; L11-Q15 VanDerWaalsContact O-N 3.16Å; L11-L37 HydrophobicContact CB-CD2 3.98Å; L11-L37 HydrophobicContact CD1-CD2 3.95Å; L11-I40 HydrophobicContact CD1-CD1 3.4Å
12	L	98.5	Very high	97.9	Very high	114 Å²	114	64.7 Å²	64.7	60%	0.597	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-37.5	180	-66.1	176.7	0	0	0	112.1	P8 L9 Q15 S16	P8-L12 WeakPolarHBondContact O-CG 3.34Å; P8-L12 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 2.87Å; L12-Q15 PolarHBondContact O-N 3.3Å; L12-S16 PolarHBondContact O-N 3.03Å
13	L	98.5	Very high	97.9	Very high	42 Å²	42	65.7 Å²	65.7	22%	0.22	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-42.4	175	-69.8	169.3	0	0	0	112.1	L9 S10 L11 Q15 S16 L22 I66	L9-L13 HydrophobicContact CD1-CD1 4.15Å; L9-L13 HydrophobicContact CD1-CG 4.26Å; L9-L13 HydrophobicContact CG-CD1 4Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.74Å; S10-L13 PolarHBondContact O-N 3.19Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.36Å; L13-Q15 PolarHBondContact O-N 3.13Å; L13-S16 WeakPolarHBondContact O-CB 3.48Å; L13-S16 PolarHBondContact O-N 3.43Å; L13-S16 VanDerWaalsContact O-N 3.08Å; L13-L22 HydrophobicContact CB-CD1 4.07Å; L13-L22 HydrophobicContact CB-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CD1 4.07Å; L13-I66 HydrophobicContact CD1-CD1 3.92Å; L13-I66 HydrophobicContact CD2-CD1 4.23Å
14	K	98.5	Very high	98.1	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-34.1	176.6	175.1	53.1	169.6	149.7	0	111.8	S10 L11 S16 L22 L37 I40 T42 A44 V46	S10-K14 WeakPolarHBondContact O-CB 3.42Å; S10-K14 PolarHBondContact O-N 3.34Å; L11-K14 PolarHBondContact O-N 3.37Å; K14-S16 VanDerWaalsContact C-N 3.31Å; K14-S16 PolarHBondContact O-N 2.96Å; K14-L22 HydrophobicContact CB-CD2 4Å; K14-L37 WeakPolarHBondContact CE-O 3.29Å; K14-L37 HydrophobicContact CG-CB 4.49Å; K14-I40 WeakPolarHBondContact CE-O 3.48Å; K14-I40 HydrophobicContact CG-CB 4.19Å; K14-I40 HydrophobicContact CG-CD1 4.1Å; K14-I40 HydrophobicContact CG-CG2 4.47Å; K14-I40 PolarHBondContact NZ-O 2.7Å; K14-T42 VanDerWaalsContact CD-OG1 3.23Å; K14-T42 WeakPolarHBondContact CD-OG1 3.43Å; K14-T42 WeakPolarHBondContact CE-OG1 3.41Å; K14-T42 PolarHBondContact NZ-O 2.92Å; K14-T42 PolarHBondContact NZ-OG1 3.09Å; K14-T42 WeakPolarHBondContact O-CB 3.35Å; K14-T42 PolarHBondContact O-OG1 3.39Å; K14-T42 VanDerWaalsContact O-OG1 3.05Å; K14-A44 HydrophobicContact CD-CB 4.02Å; K14-A44 PolarHBondContact NZ-O 2.97Å; K14-V46 HydrophobicContact CD-CG2 3.69Å
15	Q	98.1	Very high	98.2	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.9	178.1	-69	177.8	-25.5	0	0	114.5	L11 L12 L13	L11-Q15 WeakPolarHBondContact O-CG 3.22Å; L11-Q15 PolarHBondContact O-N 3.46Å; L11-Q15 VanDerWaalsContact O-N 3.16Å; L12-Q15 PolarHBondContact O-N 3.3Å; L13-Q15 PolarHBondContact O-N 3.13Å
16	S	98.2	Very high	98.3	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	33%	0.328	C	S	.	.			trans	-79	128.5	-175.8	178.2	0	0	0	0	112.4	L12 L13 K14 L18 I19	L12-S16 PolarHBondContact O-N 3.03Å; L13-S16 WeakPolarHBondContact O-CB 3.48Å; L13-S16 PolarHBondContact O-N 3.43Å; L13-S16 VanDerWaalsContact O-N 3.08Å; K14-S16 VanDerWaalsContact C-N 3.31Å; K14-S16 PolarHBondContact O-N 2.96Å; S16-L18 PolarHBondContact O-N 3.48Å; S16-L18 VanDerWaalsContact O-N 3.11Å; S16-L18 PolarHBondContact OG-N 3.46Å; S16-I19 PolarHBondContact O-N 3.26Å
17	P	97.6	Very high	98.3	Very high	103 Å²	103	65.6 Å²	65.6	67%	0.669	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	0.7	174.1	33	-37.1	0	0	0	113.1	Q43	P17-Q43 PolarHBondContact O-NE2 3.41Å
18	L	98	Very high	98.2	Very high	154 Å²	154	62.9 Å²	62.9	81%	0.806	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.7	174.7	-56.6	178.5	0	0	0	112.4	S16	S16-L18 PolarHBondContact O-N 3.48Å; S16-L18 VanDerWaalsContact O-N 3.11Å; S16-L18 PolarHBondContact OG-N 3.46Å
19	I	98.1	Very high	98.1	Very high	45 Å²	45	66.9 Å²	66.9	23%	0.231	36%	0.363	C	S	.	.			trans	-101.7	123.7	-177.1	-54.5	-58.9	0	0	0	109.1	S16 Q21 L22 Q43 A44	S16-I19 PolarHBondContact O-N 3.26Å; I19-Q21 WeakPolarHBondContact CG2-O 3.43Å; I19-L22 HydrophobicContact CG2-CB 4.23Å; I19-Q43 PolarHBondContact O-NE2 2.97Å; I19-A44 HydrophobicContact CB-CB 4.22Å; I19-A44 HydrophobicContact CG2-CB 3.89Å; I19-A44 WeakPolarHBondContact O-CB 3.4Å
20	S	97.7	Very high	98.1	Very high	84 Å²	84	65 Å²	65	59%	0.587	35%	0.353	S	S	*	.	S	Bend	trans	-98.2	-34.4	173.3	56.2	0	0	0	0	112.3	A44 H45	S20-A44 CarbonylContact O-C 3.54Å; S20-A44 WeakPolarHBondContact O-CA 3.39Å; S20-H45 PolarHBondContact O-N 2.98Å
21	Q	98.2	Very high	98	Very high	152 Å²	152	70.1 Å²	70.1	71%	0.71	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.7	177.7	-67.7	-176.2	-38.5	0	0	110.1	I19 H45	I19-Q21 WeakPolarHBondContact CG2-O 3.43Å; Q21-H45 CarbonylContact C-O 3.6Å; Q21-H45 WeakPolarHBondContact CA-O 3.31Å
22	L	98.6	Very high	98	Very high	16 Å²	16	69.4 Å²	69.4	8%	0.084	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	98	177.3	-179.7	61.7	0	0	0	109	S10 L13 K14 I19 L24 H45 V46 T47	S10-L22 WeakPolarHBondContact O-CD2 3.4Å; L13-L22 HydrophobicContact CB-CD1 4.07Å; L13-L22 HydrophobicContact CB-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CD1 4.07Å; K14-L22 HydrophobicContact CB-CD2 4Å; I19-L22 HydrophobicContact CG2-CB 4.23Å; L22-L24 HydrophobicContact CD1-CD2 3.93Å; L22-L24 HydrophobicContact CD2-CD2 4.11Å; L22-L24 HydrophobicContact CG-CD2 3.74Å; L22-L24 HydrophobicContact CG-CG 4.27Å; L22-H45 PolarHBondContact N-O 3.29Å; L22-V46 HydrophobicContact CB-CG2 4.43Å; L22-V46 HydrophobicContact CD2-CG2 4.42Å; L22-V46 WeakPolarHBondContact O-CA 3.38Å; L22-T47 PolarHBondContact O-N 3.1Å
23	A	98.7	Very high	98	Very high	43 Å²	43	64.7 Å²	64.7	36%	0.355	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.9	174.6	0	0	0	0	0	109.9	C58	A23-C58 WeakPolarHBondContact CB-O 3.26Å
24	L	98.7	Very high	98	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.4	-178.5	-59.2	-177.2	0	0	0	109.7	A1 S10 L22 V30 V33 A34 L37 V46 T47 A48 H49	A1-L24 HydrophobicContact CB-CB 3.74Å; A1-L24 HydrophobicContact CB-CD2 4.06Å; A1-L24 HydrophobicContact CB-CG 4.33Å; S10-L24 WeakPolarHBondContact OG-CD2 3.3Å; L22-L24 HydrophobicContact CD1-CD2 3.93Å; L22-L24 HydrophobicContact CD2-CD2 4.11Å; L22-L24 HydrophobicContact CG-CD2 3.74Å; L22-L24 HydrophobicContact CG-CG 4.27Å; L24-V30 HydrophobicContact CB-CG2 3.64Å; L24-V30 VanDerWaalsContact O-CG2 3.29Å; L24-V30 WeakPolarHBondContact O-CG2 3.25Å; L24-V33 HydrophobicContact CD1-CG1 4.19Å; L24-A34 HydrophobicContact CD1-CB 4.2Å; L24-L37 HydrophobicContact CD1-CD1 3.72Å; L24-V46 HydrophobicContact CD1-CG1 3.76Å; L24-V46 HydrophobicContact CG-CG1 4.13Å; L24-T47 PolarHBondContact N-O 2.92Å; L24-A48 CarbonylContact O-C 3.58Å; L24-H49 PolarHBondContact O-N 3.46Å
25	Y	98.7	Very high	98	Very high	39 Å²	39	65 Å²	65	15%	0.153	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.1	174.7	174.9	-98.4	0	0	0	111.7	A1 H49 G51 L55 L93	A1-Y25 WeakPolarHBondContact CB-O 3.49Å; A1-Y25 PolarHBondContact N-O 2.84Å; Y25-H49 WeakPolarHBondContact CA-O 3.33Å; Y25-H49 HydrophobicContact CD2-CB 4.18Å; Y25-H49 VanDerWaalsContact CD2-O 3.32Å; Y25-H49 WeakPolarHBondContact CD2-O 3.47Å; Y25-G51 WeakPolarHBondContact CE2-O 3.27Å; Y25-L55 HydrophobicContact CD1-CD1 3.87Å; Y25-L55 HydrophobicContact CD2-CB 4.1Å; Y25-L55 HydrophobicContact CD2-CD1 3.69Å; Y25-L55 HydrophobicContact CD2-CG 4.47Å; Y25-L55 HydrophobicContact CE1-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CB 3.57Å; Y25-L55 HydrophobicContact CE2-CD1 3.73Å; Y25-L55 HydrophobicContact CE2-CG 4.12Å; Y25-L55 HydrophobicContact CG-CD1 3.74Å; Y25-L93 HydrophobicContact CD1-CD2 4.24Å; Y25-L93 HydrophobicContact CE1-CD2 3.79Å
26	D	98.4	Very high	98	Very high	35 Å²	35	65.5 Å²	65.5	19%	0.187	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	167.1	164	-144.8	-70.5	0	0	0	111	A1 S2 A28 V30 H49 L50 G51	A1-D26 PolarHBondContact N-OD2 3.44Å; S2-D26 PolarHBondContact N-OD2 3.26Å; S2-D26 WeakPolarHBondContact OG-CB 3.44Å; D26-A28 VanDerWaalsContact C-N 3.34Å; D26-A28 WeakPolarHBondContact CB-O 3.4Å; D26-A28 PolarHBondContact OD1-N 3.32Å; D26-V30 HydrophobicContact CB-CB 3.77Å; D26-V30 HydrophobicContact CB-CG1 4.41Å; D26-V30 HydrophobicContact CB-CG2 4.29Å; D26-H49 PolarHBondContact N-O 3.46Å; D26-L50 WeakPolarHBondContact O-CA 3.41Å; D26-G51 PolarHBondContact O-N 2.95Å
27	I	96.9	Very high	98	Very high	126 Å²	126	64.3 Å²	64.3	65%	0.646	37%	0.366	S	S	*	.	S	Bend	trans	-82.4	-16.1	172.8	61.8	170.3	0	0	0	112.2	L50	I27-L50 WeakPolarHBondContact O-CD1 3.49Å
28	A	96.4	Very high	98.1	Very high	35 Å²	35	62.3 Å²	62.3	29%	0.289	36%	0.355	S	S	.	.	S	Bend	trans	-147.9	155	179.7	0	0	0	0	0	112.4	S2 D26 V30	S2-A28 VanDerWaalsContact CB-O 3.28Å; S2-A28 WeakPolarHBondContact CB-O 3.46Å; S2-A28 PolarHBondContact OG-O 3.28Å; D26-A28 VanDerWaalsContact C-N 3.34Å; D26-A28 WeakPolarHBondContact CB-O 3.4Å; D26-A28 PolarHBondContact OD1-N 3.32Å; A28-V30 PolarHBondContact O-N 2.9Å
29	H	96.6	Very high	98.1	Very high	151 Å²	151	62.6 Å²	62.6	70%	0.699	35%	0.352	S	S	*	.	S	Bend	trans	60.9	-7.2	169.2	-50.4	-65.7	0	0	0	118.3	K31 G32 V33	H29-K31 VanDerWaalsContact C-N 3.27Å; H29-K31 PolarHBondContact O-N 3.19Å; H29-K31 VanDerWaalsContact O-N 3.13Å; H29-G32 PolarHBondContact O-N 2.78Å; H29-V33 PolarHBondContact O-N 2.78Å
30	V	98.1	Very high	98.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-30.6	-170.5	66.7	0	0	0	0	114.7	A1 S2 L24 D26 A28 G32 V33 A34 A48 H49 L50	A1-V30 HydrophobicContact CB-CG2 4.04Å; S2-V30 VanDerWaalsContact OG-CA 3.31Å; S2-V30 WeakPolarHBondContact OG-CA 3.48Å; S2-V30 PolarHBondContact OG-N 3.02Å; S2-V30 VanDerWaalsContact OG-N 3.16Å; L24-V30 HydrophobicContact CB-CG2 3.64Å; L24-V30 VanDerWaalsContact O-CG2 3.29Å; L24-V30 WeakPolarHBondContact O-CG2 3.25Å; D26-V30 HydrophobicContact CB-CB 3.77Å; D26-V30 HydrophobicContact CB-CG1 4.41Å; D26-V30 HydrophobicContact CB-CG2 4.29Å; A28-V30 PolarHBondContact O-N 2.9Å; V30-G32 VanDerWaalsContact C-N 3.29Å; V30-G32 PolarHBondContact O-N 2.9Å; V30-V33 PolarHBondContact O-N 3.02Å; V30-A34 WeakPolarHBondContact O-CB 3.41Å; V30-A34 PolarHBondContact O-N 2.85Å; V30-A48 HydrophobicContact CG1-CB 4.43Å; V30-A48 HydrophobicContact CG2-CB 4.4Å; V30-H49 WeakPolarHBondContact CG1-O 3.41Å; V30-L50 HydrophobicContact CG1-CB 3.92Å; V30-L50 HydrophobicContact CG1-CD1 3.96Å
31	K	97.9	Very high	98.1	Very high	115 Å²	115	68.3 Å²	68.3	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-36.3	176.7	-65.7	-174.6	177.2	-179.1	0	111.9	H29 A35 A48 L50 E54	H29-K31 VanDerWaalsContact C-N 3.27Å; H29-K31 PolarHBondContact O-N 3.19Å; H29-K31 VanDerWaalsContact O-N 3.13Å; K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.44Å; K31-A35 VanDerWaalsContact O-N 3.13Å; K31-A48 HydrophobicContact CB-CB 4.5Å; K31-A48 HydrophobicContact CG-CB 4.04Å; K31-L50 HydrophobicContact CD-CD2 4.41Å; K31-E54 IonicContact NZ-OE1 3.76Å
32	G	98.1	Very high	98.1	Very high	49 Å²	49	63.5 Å²	63.5	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-70	-44.7	175	0	0	0	0	0	112	H29 V30 A34 A35 D36	H29-G32 PolarHBondContact O-N 2.78Å; V30-G32 VanDerWaalsContact C-N 3.29Å; V30-G32 PolarHBondContact O-N 2.9Å; G32-A34 VanDerWaalsContact C-N 3.34Å; G32-A34 PolarHBondContact O-N 3.4Å; G32-A35 PolarHBondContact O-N 3.22Å; G32-D36 PolarHBondContact O-N 2.83Å
33	V	98.4	Very high	98	Very high	16 Å²	16	68.8 Å²	68.8	10%	0.097	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-44	177.4	-179.2	0	0	0	0	111.2	E7 L24 H29 V30 D36 L37	E7-V33 HydrophobicContact CG-CG1 4.29Å; E7-V33 HydrophobicContact CG-CG2 4.14Å; L24-V33 HydrophobicContact CD1-CG1 4.19Å; H29-V33 PolarHBondContact O-N 2.78Å; V30-V33 PolarHBondContact O-N 3.02Å; V33-D36 PolarHBondContact O-N 2.83Å; V33-L37 HydrophobicContact CG1-CD1 4.03Å; V33-L37 WeakPolarHBondContact O-CG 3.5Å; V33-L37 PolarHBondContact O-N 3.11Å
34	A	98.5	Very high	98	Very high	8 Å²	8	66.9 Å²	66.9	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-40.1	177.5	0	0	0	0	0	112.8	L24 V30 G32 D36 L37 S38 V46 A48	L24-A34 HydrophobicContact CD1-CB 4.2Å; V30-A34 WeakPolarHBondContact O-CB 3.41Å; V30-A34 PolarHBondContact O-N 2.85Å; G32-A34 VanDerWaalsContact C-N 3.34Å; G32-A34 PolarHBondContact O-N 3.4Å; A34-D36 VanDerWaalsContact C-N 3.34Å; A34-L37 PolarHBondContact O-N 2.7Å; A34-S38 VanDerWaalsContact O-CB 3.26Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.24Å; A34-V46 HydrophobicContact CB-CG1 3.89Å; A34-A48 HydrophobicContact CB-CB 3.61Å
35	A	98.4	Very high	97.9	Very high	49 Å²	49	72.1 Å²	72.1	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-60.1	-45.7	176.2	0	0	0	0	0	111.1	K31 G32 S38	K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.44Å; K31-A35 VanDerWaalsContact O-N 3.13Å; G32-A35 PolarHBondContact O-N 3.22Å; A35-S38 PolarHBondContact O-N 2.97Å; A35-S38 PolarHBondContact O-OG 3.41Å
36	D	98.5	Very high	97.9	Very high	116 Å²	116	71 Å²	71	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-58	-53.7	176	-172.1	15.4	0	0	0	111.7	G32 V33 A34 S38 H39	G32-D36 PolarHBondContact O-N 2.83Å; V33-D36 PolarHBondContact O-N 2.83Å; A34-D36 VanDerWaalsContact C-N 3.34Å; D36-S38 VanDerWaalsContact C-N 3.27Å; D36-S38 PolarHBondContact O-N 3.4Å; D36-H39 PolarHBondContact O-N 3.26Å
37	L	98.6	Very high	97.9	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-65	-28.2	-179.8	-68.6	174.5	0	0	0	113.7	S10 L11 K14 L24 V33 A34 H39 I40 V46	S10-L37 VanDerWaalsContact CB-CD1 3.49Å; L11-L37 HydrophobicContact CB-CD2 3.98Å; L11-L37 HydrophobicContact CD1-CD2 3.95Å; K14-L37 WeakPolarHBondContact CE-O 3.29Å; K14-L37 HydrophobicContact CG-CB 4.49Å; L24-L37 HydrophobicContact CD1-CD1 3.72Å; V33-L37 HydrophobicContact CG1-CD1 4.03Å; V33-L37 WeakPolarHBondContact O-CG 3.5Å; V33-L37 PolarHBondContact O-N 3.11Å; A34-L37 PolarHBondContact O-N 2.7Å; L37-H39 PolarHBondContact O-N 2.63Å; L37-I40 HydrophobicContact CD2-CD1 3.9Å; L37-I40 PolarHBondContact O-N 3.44Å; L37-V46 HydrophobicContact CB-CG1 4.47Å; L37-V46 HydrophobicContact CB-CG2 4.36Å
38	S	98	Very high	98	Very high	61 Å²	61	67 Å²	67	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-20.1	-179.4	75.7	0	0	0	0	113.4	A34 A35 D36 I40	A34-S38 VanDerWaalsContact O-CB 3.26Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.24Å; A35-S38 PolarHBondContact O-N 2.97Å; A35-S38 PolarHBondContact O-OG 3.41Å; D36-S38 VanDerWaalsContact C-N 3.27Å; D36-S38 PolarHBondContact O-N 3.4Å; S38-I40 VanDerWaalsContact C-N 3.31Å
39	H	98.2	Very high	98.1	Very high	160 Å²	160	65.9 Å²	65.9	74%	0.741	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.4	178	-65.4	172.3	0	0	0	113.8	D36 L37 E41	D36-H39 PolarHBondContact O-N 3.26Å; L37-H39 PolarHBondContact O-N 2.63Å; H39-E41 PolarHBondContact O-N 3.17Å
40	I	98.3	Very high	98.2	Very high	49 Å²	49	61.7 Å²	61.7	25%	0.251	34%	0.337	S	S	.	.	S	Bend	trans	-75.3	125.2	-179.5	-57.7	173.6	0	0	0	109.5	L11 K14 L37 S38 T42	L11-I40 HydrophobicContact CD1-CD1 3.4Å; K14-I40 WeakPolarHBondContact CE-O 3.48Å; K14-I40 HydrophobicContact CG-CB 4.19Å; K14-I40 HydrophobicContact CG-CD1 4.1Å; K14-I40 HydrophobicContact CG-CG2 4.47Å; K14-I40 PolarHBondContact NZ-O 2.7Å; L37-I40 HydrophobicContact CD2-CD1 3.9Å; L37-I40 PolarHBondContact O-N 3.44Å; S38-I40 VanDerWaalsContact C-N 3.31Å; I40-T42 HydrophobicContact CG2-CG2 3.86Å; I40-T42 PolarHBondContact O-N 3.18Å; I40-T42 PolarHBondContact O-OG1 3.36Å
41	E	97.9	Very high	98.1	Very high	200 Å²	200	62.2 Å²	62.2	94%	0.935	34%	0.342	S	S	*	.	S	Bend	trans	-69.3	62.7	-177.8	57.1	172.1	166.7	0	0	114.3	H39	H39-E41 PolarHBondContact O-N 3.17Å
42	T	97.9	Very high	98	Very high	50 Å²	50	61 Å²	61	31%	0.307	35%	0.346	S	S	.	.	S	Bend	trans	-132.4	156.2	179.7	51	0	0	0	0	109.6	K14 I40 A44	K14-T42 VanDerWaalsContact CD-OG1 3.23Å; K14-T42 WeakPolarHBondContact CD-OG1 3.43Å; K14-T42 WeakPolarHBondContact CE-OG1 3.41Å; K14-T42 PolarHBondContact NZ-O 2.92Å; K14-T42 PolarHBondContact NZ-OG1 3.09Å; K14-T42 WeakPolarHBondContact O-CB 3.35Å; K14-T42 PolarHBondContact O-OG1 3.39Å; K14-T42 VanDerWaalsContact O-OG1 3.05Å; I40-T42 HydrophobicContact CG2-CG2 3.86Å; I40-T42 PolarHBondContact O-N 3.18Å; I40-T42 PolarHBondContact O-OG1 3.36Å; T42-A44 VanDerWaalsContact C-N 3.29Å; T42-A44 PolarHBondContact O-N 3.39Å
43	Q	96.7	Very high	98	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	36%	0.361	S	S	*	.	S	Bend	trans	-65.5	-24.4	-172.5	69.6	-177	5.1	0	0	115.2	P17 I19 H45	P17-Q43 PolarHBondContact O-NE2 3.41Å; I19-Q43 PolarHBondContact O-NE2 2.97Å; Q43-H45 PolarHBondContact O-N 3.48Å
44	A	98	Very high	98	Very high	3 Å²	3	64.5 Å²	64.5	3%	0.025	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67	121.9	-172.3	0	0	0	0	0	111.3	K14 I19 S20 T42	K14-A44 HydrophobicContact CD-CB 4.02Å; K14-A44 PolarHBondContact NZ-O 2.97Å; I19-A44 HydrophobicContact CB-CB 4.22Å; I19-A44 HydrophobicContact CG2-CB 3.89Å; I19-A44 WeakPolarHBondContact O-CB 3.4Å; S20-A44 CarbonylContact O-C 3.54Å; S20-A44 WeakPolarHBondContact O-CA 3.39Å; T42-A44 VanDerWaalsContact C-N 3.29Å; T42-A44 PolarHBondContact O-N 3.39Å
45	H	98	Very high	98	Very high	116 Å²	116	64.6 Å²	64.6	54%	0.537	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.9	174.3	-176.1	66.6	0	0	0	110.6	S20 Q21 L22 Q43	S20-H45 PolarHBondContact O-N 2.98Å; Q21-H45 CarbonylContact C-O 3.6Å; Q21-H45 WeakPolarHBondContact CA-O 3.31Å; L22-H45 PolarHBondContact N-O 3.29Å; Q43-H45 PolarHBondContact O-N 3.48Å
46	V	98.5	Very high	98	Very high	16 Å²	16	64.1 Å²	64.1	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.6	-176.2	-171.8	0	0	0	0	110.3	K14 L22 L24 A34 L37	K14-V46 HydrophobicContact CD-CG2 3.69Å; L22-V46 HydrophobicContact CB-CG2 4.43Å; L22-V46 HydrophobicContact CD2-CG2 4.42Å; L22-V46 WeakPolarHBondContact O-CA 3.38Å; L24-V46 HydrophobicContact CD1-CG1 3.76Å; L24-V46 HydrophobicContact CG-CG1 4.13Å; A34-V46 HydrophobicContact CB-CG1 3.89Å; L37-V46 HydrophobicContact CB-CG1 4.47Å; L37-V46 HydrophobicContact CB-CG2 4.36Å
47	T	98.4	Very high	97.9	Very high	48 Å²	48	65.2 Å²	65.2	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153	172.7	58.8	0	0	0	0	110.7	L22 L24 H49	L22-T47 PolarHBondContact O-N 3.1Å; L24-T47 PolarHBondContact N-O 2.92Å; T47-H49 PolarHBondContact OG1-NE2 3.11Å; T47-H49 VanDerWaalsContact OG1-NE2 3.14Å
48	A	98.4	Very high	97.9	Very high	30 Å²	30	65.5 Å²	65.5	25%	0.248	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.4	179.2	0	0	0	0	0	111	L24 V30 K31 A34	L24-A48 CarbonylContact O-C 3.58Å; V30-A48 HydrophobicContact CG1-CB 4.43Å; V30-A48 HydrophobicContact CG2-CB 4.4Å; K31-A48 HydrophobicContact CB-CB 4.5Å; K31-A48 HydrophobicContact CG-CB 4.04Å; A34-A48 HydrophobicContact CB-CB 3.61Å
49	H	98.6	Very high	98	Very high	10 Å²	10	63 Å²	63	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.7	-179.4	-61.5	-88.9	0	0	0	109.5	L24 Y25 D26 V30 T47 E54 E57 C58	L24-H49 PolarHBondContact O-N 3.46Å; Y25-H49 WeakPolarHBondContact CA-O 3.33Å; Y25-H49 HydrophobicContact CD2-CB 4.18Å; Y25-H49 VanDerWaalsContact CD2-O 3.32Å; Y25-H49 WeakPolarHBondContact CD2-O 3.47Å; D26-H49 PolarHBondContact N-O 3.46Å; V30-H49 WeakPolarHBondContact CG1-O 3.41Å; T47-H49 PolarHBondContact OG1-NE2 3.11Å; T47-H49 VanDerWaalsContact OG1-NE2 3.14Å; H49-E54 VanDerWaalsContact CA-OE2 3.27Å; H49-E54 WeakPolarHBondContact CA-OE2 3.4Å; H49-E54 HydrophobicContact CB-CB 3.9Å; H49-E54 PolarHBondContact ND1-O 3.13Å; H49-E57 IonicContact CE1-OE1 3.88Å; H49-C58 HydrophobicContact CB-CB 3.6Å; H49-C58 PolarHBondContact ND1-N 3.2Å
50	L	98.3	Very high	97.9	Very high	63 Å²	63	60 Å²	60	33%	0.33	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	-172.4	-179.8	67.8	0	0	0	111.8	D26 I27 V30 K31 E54	D26-L50 WeakPolarHBondContact O-CA 3.41Å; I27-L50 WeakPolarHBondContact O-CD1 3.49Å; V30-L50 HydrophobicContact CG1-CB 3.92Å; V30-L50 HydrophobicContact CG1-CD1 3.96Å; K31-L50 HydrophobicContact CD-CD2 4.41Å; L50-E54 PolarHBondContact N-OE2 2.89Å
51	G	97	Very high	97.9	Very high	11 Å²	11	60.7 Å²	60.7	11%	0.113	36%	0.363	C	S	.	.	S	Bend	trans	73.9	171.9	171.3	0	0	0	0	0	114.7	Y25 D26 G53 E54 L55	Y25-G51 WeakPolarHBondContact CE2-O 3.27Å; D26-G51 PolarHBondContact O-N 2.95Å; G51-G53 PolarHBondContact O-N 3.06Å; G51-E54 PolarHBondContact O-N 3.5Å; G51-L55 PolarHBondContact O-N 3.13Å
52	P	95.8	Very high	97.9	Very high	89 Å²	89	52.5 Å²	52.5	58%	0.578	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.3	-167.4	-27.9	35.5	0	0	0	115.4	E54 L55	P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 3.42Å; P52-L55 PolarHBondContact O-N 3.36Å
53	G	97.2	Very high	97.9	Very high	80 Å²	80	56.5 Å²	56.5	83%	0.825	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.4	178.9	0	0	0	0	0	114.5	G51	G51-G53 PolarHBondContact O-N 3.06Å
54	E	98.2	Very high	98	Very high	59 Å²	59	54.1 Å²	54.1	28%	0.276	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-5	-178.8	-61.2	-179.3	-165.4	0	0	111.8	K31 H49 L50 G51 P52 A56 E57 C58	K31-E54 IonicContact NZ-OE1 3.76Å; H49-E54 VanDerWaalsContact CA-OE2 3.27Å; H49-E54 WeakPolarHBondContact CA-OE2 3.4Å; H49-E54 HydrophobicContact CB-CB 3.9Å; H49-E54 PolarHBondContact ND1-O 3.13Å; L50-E54 PolarHBondContact N-OE2 2.89Å; G51-E54 PolarHBondContact O-N 3.5Å; P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 3.42Å; E54-A56 PolarHBondContact O-N 3.3Å; E54-E57 PolarHBondContact O-N 3.14Å; E54-C58 PolarHBondContact O-N 3.34Å
55	L	98.3	Very high	98.1	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-39.5	-176.5	-180	57.3	0	0	0	113	Y25 G51 P52 C58 L59 L93 S96	Y25-L55 HydrophobicContact CD1-CD1 3.87Å; Y25-L55 HydrophobicContact CD2-CB 4.1Å; Y25-L55 HydrophobicContact CD2-CD1 3.69Å; Y25-L55 HydrophobicContact CD2-CG 4.47Å; Y25-L55 HydrophobicContact CE1-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CB 3.57Å; Y25-L55 HydrophobicContact CE2-CD1 3.73Å; Y25-L55 HydrophobicContact CE2-CG 4.12Å; Y25-L55 HydrophobicContact CG-CD1 3.74Å; G51-L55 PolarHBondContact O-N 3.13Å; P52-L55 PolarHBondContact O-N 3.36Å; L55-C58 WeakPolarHBondContact O-CB 3.39Å; L55-C58 PolarHBondContact O-N 3.21Å; L55-L59 HydrophobicContact CD1-CD1 3.87Å; L55-L59 HydrophobicContact CD1-CG 4.1Å; L55-L59 HydrophobicContact CG-CD1 3.98Å; L55-L59 VanDerWaalsContact O-CG 3.32Å; L55-L59 WeakPolarHBondContact O-CG 3.14Å; L55-L59 PolarHBondContact O-N 3.36Å; L55-L93 HydrophobicContact CD1-CD2 4.18Å; L55-L93 HydrophobicContact CD2-CD2 3.97Å; L55-S96 WeakPolarHBondContact CD2-OG 3.4Å; L55-S96 WeakPolarHBondContact CG-OG 3.04Å
56	A	98.2	Very high	98.1	Very high	39 Å²	39	52 Å²	52	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-41.1	179.6	0	0	0	0	0	111.8	E54 L59 T60	E54-A56 PolarHBondContact O-N 3.3Å; A56-L59 PolarHBondContact O-N 3.06Å; A56-T60 PolarHBondContact O-N 2.88Å; A56-T60 VanDerWaalsContact O-N 3.14Å; A56-T60 PolarHBondContact O-OG1 2.83Å
57	E	98.1	Very high	98.1	Very high	139 Å²	139	51.5 Å²	51.5	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-64	-44	175.8	-167.8	-177.2	157.1	0	0	110.8	H49 E54 L59 T60	H49-E57 IonicContact CE1-OE1 3.88Å; E54-E57 PolarHBondContact O-N 3.14Å; E57-L59 PolarHBondContact O-N 3.37Å; E57-T60 PolarHBondContact O-N 2.86Å
58	C	98.5	Very high	98.1	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.108	33%	0.327	C	S	.	.	H	α-helix	trans	-55.1	-37.5	176.4	-170.7	0	0	0	0	113.7	A23 H49 E54 L55	A23-C58 WeakPolarHBondContact CB-O 3.26Å; H49-C58 HydrophobicContact CB-CB 3.6Å; H49-C58 PolarHBondContact ND1-N 3.2Å; E54-C58 PolarHBondContact O-N 3.34Å; L55-C58 WeakPolarHBondContact O-CB 3.39Å; L55-C58 PolarHBondContact O-N 3.21Å
59	L	98.6	Very high	98	Very high	9 Å²	9	51 Å²	51	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-88	-23.1	-173.3	-69.1	172	0	0	0	112.9	L55 A56 E57 G61 A62 V65 S96 N100 C101	L55-L59 HydrophobicContact CD1-CD1 3.87Å; L55-L59 HydrophobicContact CD1-CG 4.1Å; L55-L59 HydrophobicContact CG-CD1 3.98Å; L55-L59 VanDerWaalsContact O-CG 3.32Å; L55-L59 WeakPolarHBondContact O-CG 3.14Å; L55-L59 PolarHBondContact O-N 3.36Å; A56-L59 PolarHBondContact O-N 3.06Å; E57-L59 PolarHBondContact O-N 3.37Å; L59-G61 PolarHBondContact O-N 3.29Å; L59-A62 VanDerWaalsContact O-CB 3.22Å; L59-A62 WeakPolarHBondContact O-CB 3.25Å; L59-A62 PolarHBondContact O-N 2.82Å; L59-V65 HydrophobicContact CD2-CG1 4.07Å; L59-V65 HydrophobicContact CD2-CG2 3.88Å; L59-S96 VanDerWaalsContact CD1-OG 3.27Å; L59-S96 WeakPolarHBondContact CD1-OG 3.42Å; L59-N100 HydrophobicContact CB-CB 3.86Å; L59-N100 HydrophobicContact CD1-CB 4.43Å; L59-C101 VanDerWaalsContact O-CB 3.29Å; L59-C101 WeakPolarHBondContact O-CB 3.05Å
60	T	97.8	Very high	97.7	Very high	97 Å²	97	52.1 Å²	52.1	60%	0.595	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	121.7	-172.6	-66.2	0	0	0	0	110.7	A56 E57 A62	A56-T60 PolarHBondContact O-N 2.88Å; A56-T60 VanDerWaalsContact O-N 3.14Å; A56-T60 PolarHBondContact O-OG1 2.83Å; E57-T60 PolarHBondContact O-N 2.86Å; T60-A62 VanDerWaalsContact C-N 3.29Å; T60-A62 PolarHBondContact O-N 3.2Å
61	G	96.8	Very high	97.3	Very high	63 Å²	63	52.4 Å²	52.4	65%	0.649	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-0.4	-179.4	0	0	0	0	0	115.4	L59 N63	L59-G61 PolarHBondContact O-N 3.29Å; G61-N63 PolarHBondContact O-N 2.82Å
62	A	98.4	Very high	96.7	Very high	27 Å²	27	56.3 Å²	56.3	22%	0.223	37%	0.369	C	S	.	.			trans	-60.1	132.1	178.8	0	0	0	0	0	112	L59 T60 V65 C101 A104	L59-A62 VanDerWaalsContact O-CB 3.22Å; L59-A62 WeakPolarHBondContact O-CB 3.25Å; L59-A62 PolarHBondContact O-N 2.82Å; T60-A62 VanDerWaalsContact C-N 3.29Å; T60-A62 PolarHBondContact O-N 3.2Å; A62-V65 HydrophobicContact CB-CG2 3.99Å; A62-C101 HydrophobicContact CB-CB 4.38Å; A62-A104 WeakPolarHBondContact O-CB 3.45Å
63	N	98.5	Very high	96.1	Very high	135 Å²	135	60.1 Å²	60.1	72%	0.722	37%	0.372	S	S	*	.	S	Bend	trans	-90	-29.5	172.2	-56.2	127.7	0	0	0	112.5	G61 A104 M105	G61-N63 PolarHBondContact O-N 2.82Å; N63-A104 CarbonylContact O-C 3.6Å; N63-A104 WeakPolarHBondContact O-CA 3.37Å; N63-M105 PolarHBondContact O-N 3.23Å
64	V	98.7	Very high	95.6	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.467	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.1	178.4	-176.1	0	0	0	0	108	I66 M105	V64-I66 HydrophobicContact CG1-CG1 4.08Å; V64-M105 CarbonylContact C-O 3.57Å; V64-M105 VanDerWaalsContact CA-O 3.31Å; V64-M105 WeakPolarHBondContact CA-O 3.35Å; V64-M105 HydrophobicContact CG2-CB 4.33Å
65	V	98.8	Very high	95.1	Very high	16 Å²	16	66.1 Å²	66.1	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.8	173.7	179.8	0	0	0	0	108	L59 A62 I67 A104 M105 C107	L59-V65 HydrophobicContact CD2-CG1 4.07Å; L59-V65 HydrophobicContact CD2-CG2 3.88Å; A62-V65 HydrophobicContact CB-CG2 3.99Å; V65-I67 HydrophobicContact CG1-CD1 4.41Å; V65-I67 HydrophobicContact CG1-CG1 4Å; V65-A104 HydrophobicContact CG2-CB 3.93Å; V65-M105 PolarHBondContact N-O 3.02Å; V65-C107 PolarHBondContact O-N 2.78Å
66	I	98.7	Very high	94.8	Very high	58 Å²	58	69.6 Å²	69.6	30%	0.297	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	178.6	-50.9	174.1	0	0	0	108.6	L9 L13 V64 P68 C107 I109	L9-I66 HydrophobicContact CD2-CB 4.47Å; L9-I66 HydrophobicContact CD2-CG2 3.77Å; L13-I66 HydrophobicContact CD1-CD1 3.92Å; L13-I66 HydrophobicContact CD2-CD1 4.23Å; V64-I66 HydrophobicContact CG1-CG1 4.08Å; I66-P68 VanDerWaalsContact C-CD 3.45Å; I66-P68 WeakPolarHBondContact O-CD 3.49Å; I66-C107 HydrophobicContact CG1-CB 4.28Å; I66-C107 HydrophobicContact CG2-CB 4.4Å; I66-I109 HydrophobicContact CG2-CD1 3.48Å; I66-I109 VanDerWaalsContact CG2-CD1 3.48Å; I66-I109 HydrophobicContact CG2-CG1 4.29Å
67	I	98.5	Very high	94.3	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	87.2	-174.3	-52.5	178.8	0	0	0	109.4	V65 A69 L93 I94 I106 C107 I109 T110	V65-I67 HydrophobicContact CG1-CD1 4.41Å; V65-I67 HydrophobicContact CG1-CG1 4Å; I67-A69 VanDerWaalsContact C-N 3.29Å; I67-A69 HydrophobicContact CG2-CB 4.18Å; I67-L93 HydrophobicContact CD1-CB 4.29Å; I67-L93 HydrophobicContact CG2-CD1 3.65Å; I67-I94 HydrophobicContact CD1-CD1 3.65Å; I67-I94 HydrophobicContact CD1-CG1 4.35Å; I67-I106 HydrophobicContact CD1-CG2 4.1Å; I67-C107 PolarHBondContact N-O 3.42Å; I67-I109 WeakPolarHBondContact O-CB 3.36Å; I67-I109 PolarHBondContact O-N 2.61Å; I67-T110 PolarHBondContact O-N 2.71Å; I67-T110 PolarHBondContact O-OG1 3.39Å
68	P	97.6	Very high	93.8	Very high	31 Å²	31	66.1 Å²	66.1	20%	0.201	41%	0.409	C	S	.	.			trans	-87.6	2.7	166.7	36.8	-35.3	0	0	0	112.8	I5 L9 I66 G70 I109	I5-P68 HydrophobicContact CB-CB 4.09Å; I5-P68 HydrophobicContact CG2-CB 3.7Å; L9-P68 HydrophobicContact CD2-CG 4.25Å; I66-P68 VanDerWaalsContact C-CD 3.45Å; I66-P68 WeakPolarHBondContact O-CD 3.49Å; P68-G70 PolarHBondContact O-N 3.01Å; P68-I109 HydrophobicContact CB-CB 4.36Å; P68-I109 HydrophobicContact CB-CD1 4.22Å; P68-I109 HydrophobicContact CB-CG2 4.4Å
69	A	96.5	Very high	93.1	Very high	36 Å²	36	74.8 Å²	74.8	30%	0.298	44%	0.44	S	S	.	.			trans	-65.8	126.5	-174.7	0	0	0	0	0	111.3	I67 I89 L93 T110	I67-A69 VanDerWaalsContact C-N 3.29Å; I67-A69 HydrophobicContact CG2-CB 4.18Å; A69-I89 HydrophobicContact CB-CG2 3.92Å; A69-L93 HydrophobicContact CB-CD1 3.67Å; A69-T110 WeakPolarHBondContact O-CB 3.43Å; A69-T110 WeakPolarHBondContact O-CG2 3.27Å; A69-T110 PolarHBondContact O-OG1 3.02Å
70	G	93.2	Very high	92.7	Very high	34 Å²	34	79.8 Å²	79.8	35%	0.351	47%	0.466	S	S	.	.	S	Bend	trans	168.2	163.4	178.5	0	0	0	0	0	110.9	P68 N86	P68-G70 PolarHBondContact O-N 3.01Å; G70-N86 VanDerWaalsContact CA-OD1 3.31Å; G70-N86 WeakPolarHBondContact CA-OD1 3.29Å
71	L	89.2	Confident	92.3	Very high	70 Å²	70	78.7 Å²	78.7	37%	0.366	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-80.2	136.8	171.4	-66.8	-177.8	0	0	0	109.7	M77 L82 T85 N86	L71-M77 HydrophobicContact CD1-CE 4.25Å; L71-L82 HydrophobicContact CB-CD1 4.33Å; L71-L82 VanDerWaalsContact O-CD1 3.22Å; L71-L82 WeakPolarHBondContact O-CD1 3.32Å; L71-T85 HydrophobicContact CD1-CG2 3.54Å; L71-T85 HydrophobicContact CG-CG2 4.06Å; L71-N86 PolarHBondContact N-OD1 3.17Å; L71-N86 PolarHBondContact O-ND2 2.95Å
72	P	84.5	Confident	92	Very high	93 Å²	93	76.9 Å²	76.9	60%	0.604	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-69.6	153.5	162.9	31	-33.5	0	0	0	109.3	K74	P72-K74 PolarHBondContact O-N 2.89Å; P72-K74 VanDerWaalsContact O-N 3.14Å
73	R	84.1	Confident	91.7	Very high	168 Å²	168	78.7 Å²	78.7	63%	0.634	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-62.1	118.2	173.7	-170.9	176.6	-177.2	-158.9	-2.5	109.5	L82	R73-L82 HydrophobicContact CB-CD2 4.05Å; R73-L82 HydrophobicContact CG-CD2 4.4Å
74	K	85.8	Confident	91.4	Very high	127 Å²	127	76.6 Å²	76.6	55%	0.552	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-96	150.9	173.9	-67.5	-178.1	-179.5	178.2	0	110.8	P72 G76 M77	P72-K74 PolarHBondContact O-N 2.89Å; P72-K74 VanDerWaalsContact O-N 3.14Å; K74-G76 PolarHBondContact O-N 3.31Å; K74-M77 WeakPolarHBondContact O-CB 3.32Å; K74-M77 PolarHBondContact O-N 3.27Å; K74-M77 VanDerWaalsContact O-N 3.1Å
75	P	88.9	Confident	91.3	Very high	138 Å²	138	75.2 Å²	75.2	90%	0.896	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	130.9	169.4	-25.5	34.8	0	0	0	110.8
76	G	90.6	Very high	91.1	Very high	83 Å²	83	74.6 Å²	74.6	86%	0.856	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-13.9	-177.9	0	0	0	0	0	115.9	K74	K74-G76 PolarHBondContact O-N 3.31Å
77	M	88.1	Confident	91	Very high	36 Å²	36	72.5 Å²	72.5	18%	0.177	40%	0.403	C	S	.	.			trans	-78.8	128.1	176	-163.5	174.7	-154.9	0	0	110.6	L71 K74 D81 L82	L71-M77 HydrophobicContact CD1-CE 4.25Å; K74-M77 WeakPolarHBondContact O-CB 3.32Å; K74-M77 PolarHBondContact O-N 3.27Å; K74-M77 VanDerWaalsContact O-N 3.1Å; M77-D81 HydrophobicContact CE-CB 3.86Å; M77-D81 HydrophobicContact CG-CB 3.63Å; M77-L82 HydrophobicContact CE-CB 4.36Å; M77-L82 HydrophobicContact CG-CB 4.41Å; M77-L82 HydrophobicContact SD-CB 4Å; M77-L82 HydrophobicContact SD-CD1 4.02Å
78	T	88	Confident	90.9	Very high	70 Å²	70	76.1 Å²	76.1	43%	0.429	43%	0.429	S	S	.	.			trans	-71.8	165.5	173.5	71.8	0	0	0	0	110.5	D80 D81 L82	T78-D80 PolarHBondContact O-N 2.73Å; T78-D80 PolarHBondContact OG1-N 3.08Å; T78-D81 WeakPolarHBondContact CB-OD2 3.47Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.45Å; T78-D81 PolarHBondContact N-OD2 3.48Å; T78-D81 PolarHBondContact OG1-N 3.46Å; T78-D81 VanDerWaalsContact OG1-N 3.08Å; T78-D81 PolarHBondContact OG1-OD2 3.3Å; T78-L82 PolarHBondContact O-N 3.24Å
79	R	84.4	Confident	90.9	Very high	198 Å²	198	76.9 Å²	76.9	75%	0.747	43%	0.431	S	S	*	.	H	α-helix	trans	-62.1	-36	173.4	-73.8	-177.9	173.5	177	-2.1	111.3	L82 F83	R79-L82 PolarHBondContact O-N 2.94Å; R79-F83 WeakPolarHBondContact O-CB 3.46Å; R79-F83 PolarHBondContact O-N 3.29Å
80	D	89.1	Confident	91	Very high	113 Å²	113	75.2 Å²	75.2	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-72	-39.8	-178.1	-62.6	-20.1	0	0	0	111.6	T78 L82 F83 N84	T78-D80 PolarHBondContact O-N 2.73Å; T78-D80 PolarHBondContact OG1-N 3.08Å; D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 2.91Å; D80-F83 PolarHBondContact O-N 3.4Å; D80-N84 WeakPolarHBondContact O-CB 3.32Å; D80-N84 PolarHBondContact O-N 3.46Å; D80-N84 PolarHBondContact O-ND2 3.41Å; D80-N84 VanDerWaalsContact O-ND2 3.16Å
81	D	89.9	Confident	91.2	Very high	74 Å²	74	75 Å²	75	40%	0.396	41%	0.412	S	S	.	.	H	α-helix	trans	-59.8	-45.2	174.8	-61.2	-39.9	0	0	0	111.2	M77 T78 N84 T85	M77-D81 HydrophobicContact CE-CB 3.86Å; M77-D81 HydrophobicContact CG-CB 3.63Å; T78-D81 WeakPolarHBondContact CB-OD2 3.47Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.45Å; T78-D81 PolarHBondContact N-OD2 3.48Å; T78-D81 PolarHBondContact OG1-N 3.46Å; T78-D81 VanDerWaalsContact OG1-N 3.08Å; T78-D81 PolarHBondContact OG1-OD2 3.3Å; D81-N84 PolarHBondContact O-N 2.92Å; D81-T85 WeakPolarHBondContact O-CB 3.13Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 3.41Å
82	L	90	Very high	91.6	Very high	25 Å²	25	76.6 Å²	76.6	13%	0.131	42%	0.417	C	S	.	.	H	α-helix	trans	-63.5	-45.2	179.2	-179.9	64.1	0	0	0	110.4	L71 R73 M77 T78 R79 D80 N86	L71-L82 HydrophobicContact CB-CD1 4.33Å; L71-L82 VanDerWaalsContact O-CD1 3.22Å; L71-L82 WeakPolarHBondContact O-CD1 3.32Å; R73-L82 HydrophobicContact CB-CD2 4.05Å; R73-L82 HydrophobicContact CG-CD2 4.4Å; M77-L82 HydrophobicContact CE-CB 4.36Å; M77-L82 HydrophobicContact CG-CB 4.41Å; M77-L82 HydrophobicContact SD-CB 4Å; M77-L82 HydrophobicContact SD-CD1 4.02Å; T78-L82 PolarHBondContact O-N 3.24Å; R79-L82 PolarHBondContact O-N 2.94Å; D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 2.91Å; L82-N86 WeakPolarHBondContact O-CB 3.35Å; L82-N86 PolarHBondContact O-N 3.03Å
83	F	92.1	Very high	92.3	Very high	65 Å²	65	73.1 Å²	73.1	29%	0.285	39%	0.394	S	S	.	.	H	α-helix	trans	-59.1	-52.5	175.7	170.1	-105.9	0	0	0	111.5	R79 D80 T85 N86 A87 P112 I119	R79-F83 WeakPolarHBondContact O-CB 3.46Å; R79-F83 PolarHBondContact O-N 3.29Å; D80-F83 PolarHBondContact O-N 3.4Å; F83-T85 VanDerWaalsContact C-N 3.31Å; F83-T85 PolarHBondContact O-N 3.41Å; F83-N86 PolarHBondContact O-N 3.43Å; F83-A87 HydrophobicContact CE2-CB 4.18Å; F83-A87 HydrophobicContact CZ-CB 4.24Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 3.16Å; F83-P112 HydrophobicContact CD2-CG 3.84Å; F83-I119 HydrophobicContact CE2-CD1 3.92Å; F83-I119 HydrophobicContact CZ-CD1 4.05Å
84	N	93.4	Very high	92.9	Very high	91 Å²	91	65.1 Å²	65.1	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-41.7	-177.2	-72.3	-30.6	0	0	0	112.1	D80 D81 S88	D80-N84 WeakPolarHBondContact O-CB 3.32Å; D80-N84 PolarHBondContact O-N 3.46Å; D80-N84 PolarHBondContact O-ND2 3.41Å; D80-N84 VanDerWaalsContact O-ND2 3.16Å; D81-N84 PolarHBondContact O-N 2.92Å; N84-S88 PolarHBondContact O-N 3.12Å; N84-S88 PolarHBondContact O-OG 3.49Å
85	T	94.8	Very high	93.5	Very high	48 Å²	48	61.5 Å²	61.5	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-51.5	178.5	-53	0	0	0	0	111.2	L71 D81 F83 A87 S88 I89	L71-T85 HydrophobicContact CD1-CG2 3.54Å; L71-T85 HydrophobicContact CG-CG2 4.06Å; D81-T85 WeakPolarHBondContact O-CB 3.13Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 3.41Å; F83-T85 VanDerWaalsContact C-N 3.31Å; F83-T85 PolarHBondContact O-N 3.41Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.96Å; T85-S88 PolarHBondContact O-N 2.84Å; T85-I89 HydrophobicContact CG2-CD1 4.12Å; T85-I89 WeakPolarHBondContact O-CG1 3.31Å; T85-I89 PolarHBondContact O-N 3.41Å; T85-I89 VanDerWaalsContact O-N 3.13Å
86	N	96.1	Very high	94	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-70	-32.1	-177.3	-74.8	-4.9	0	0	0	112.4	G70 L71 L82 F83 S88 I89 V90 T110 N111	G70-N86 VanDerWaalsContact CA-OD1 3.31Å; G70-N86 WeakPolarHBondContact CA-OD1 3.29Å; L71-N86 PolarHBondContact N-OD1 3.17Å; L71-N86 PolarHBondContact O-ND2 2.95Å; L82-N86 WeakPolarHBondContact O-CB 3.35Å; L82-N86 PolarHBondContact O-N 3.03Å; F83-N86 PolarHBondContact O-N 3.43Å; N86-S88 VanDerWaalsContact C-N 3.33Å; N86-I89 PolarHBondContact O-N 3.16Å; N86-V90 WeakPolarHBondContact O-CB 3.09Å; N86-V90 WeakPolarHBondContact O-CG2 3.36Å; N86-V90 PolarHBondContact O-N 3.19Å; N86-T110 HydrophobicContact CB-CG2 3.72Å; N86-N111 VanDerWaalsContact CB-O 3.31Å; N86-N111 WeakPolarHBondContact CB-O 3.45Å; N86-N111 PolarHBondContact ND2-O 2.68Å
87	A	96.2	Very high	94.4	Very high	14 Å²	14	51.8 Å²	51.8	12%	0.116	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-43.7	171.8	0	0	0	0	0	111.4	F83 T85 A91 I119	F83-A87 HydrophobicContact CE2-CB 4.18Å; F83-A87 HydrophobicContact CZ-CB 4.24Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 3.16Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.96Å; A87-A91 VanDerWaalsContact O-CB 3.25Å; A87-A91 WeakPolarHBondContact O-CB 3.46Å; A87-A91 PolarHBondContact O-N 3.14Å; A87-I119 HydrophobicContact CB-CD1 3.62Å
88	S	96.6	Very high	94.9	Very high	81 Å²	81	50.3 Å²	50.3	57%	0.566	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-43.9	178	-57	0	0	0	0	111.7	N84 T85 N86 A91 E92	N84-S88 PolarHBondContact O-N 3.12Å; N84-S88 PolarHBondContact O-OG 3.49Å; T85-S88 PolarHBondContact O-N 2.84Å; N86-S88 VanDerWaalsContact C-N 3.33Å; S88-A91 PolarHBondContact O-N 2.81Å; S88-E92 PolarHBondContact O-N 3.02Å; S88-E92 VanDerWaalsContact O-N 3.11Å
89	I	97	Very high	95.4	Very high	48 Å²	48	52.9 Å²	52.9	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-49.4	176.9	-66.6	166.9	0	0	0	111	A69 T85 N86 A91 E92 L93	A69-I89 HydrophobicContact CB-CG2 3.92Å; T85-I89 HydrophobicContact CG2-CD1 4.12Å; T85-I89 WeakPolarHBondContact O-CG1 3.31Å; T85-I89 PolarHBondContact O-N 3.41Å; T85-I89 VanDerWaalsContact O-N 3.13Å; N86-I89 PolarHBondContact O-N 3.16Å; I89-A91 VanDerWaalsContact C-N 3.28Å; I89-A91 PolarHBondContact O-N 2.86Å; I89-E92 PolarHBondContact O-N 3.16Å; I89-L93 HydrophobicContact CG2-CD1 3.95Å; I89-L93 WeakPolarHBondContact O-CG 3.32Å; I89-L93 PolarHBondContact O-N 3.44Å; I89-L93 VanDerWaalsContact O-N 3.12Å
90	V	98	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-39.9	178.5	170.4	0	0	0	0	110.3	N86 E92 L93 I94 I108 T110 T116 A120	N86-V90 WeakPolarHBondContact O-CB 3.09Å; N86-V90 WeakPolarHBondContact O-CG2 3.36Å; N86-V90 PolarHBondContact O-N 3.19Å; V90-E92 PolarHBondContact O-N 3.18Å; V90-L93 PolarHBondContact O-N 2.91Å; V90-I94 HydrophobicContact CG1-CG1 3.84Å; V90-I94 WeakPolarHBondContact O-CB 3.06Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 3.26Å; V90-I108 HydrophobicContact CG1-CD1 4.37Å; V90-T110 HydrophobicContact CG2-CG2 3.64Å; V90-T116 HydrophobicContact CG2-CG2 3.91Å; V90-A120 HydrophobicContact CG1-CB 4.44Å
91	A	98	Very high	96.5	Very high	29 Å²	29	41 Å²	41	24%	0.24	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-45.8	-179.6	0	0	0	0	0	112.7	A87 S88 I89 D95 I119 I123	A87-A91 VanDerWaalsContact O-CB 3.25Å; A87-A91 WeakPolarHBondContact O-CB 3.46Å; A87-A91 PolarHBondContact O-N 3.14Å; S88-A91 PolarHBondContact O-N 2.81Å; I89-A91 VanDerWaalsContact C-N 3.28Å; I89-A91 PolarHBondContact O-N 2.86Å; A91-D95 VanDerWaalsContact O-CB 3.3Å; A91-D95 WeakPolarHBondContact O-CB 3.23Å; A91-D95 PolarHBondContact O-N 2.93Å; A91-I119 HydrophobicContact CB-CG2 4.38Å; A91-I123 HydrophobicContact CB-CD1 3.48Å; A91-I123 VanDerWaalsContact CB-CD1 3.48Å
92	E	97.6	Very high	96.9	Very high	104 Å²	104	40.2 Å²	40.2	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-46.9	177.6	-175.3	-179.4	169.2	0	0	112.1	S88 I89 V90 I94 D95 S96	S88-E92 PolarHBondContact O-N 3.02Å; S88-E92 VanDerWaalsContact O-N 3.11Å; I89-E92 PolarHBondContact O-N 3.16Å; V90-E92 PolarHBondContact O-N 3.18Å; E92-I94 PolarHBondContact O-N 2.96Å; E92-D95 PolarHBondContact O-N 3.24Å; E92-S96 PolarHBondContact O-N 3.4Å; E92-S96 VanDerWaalsContact O-N 3.09Å
93	L	98.4	Very high	97.3	Very high	20 Å²	20	47 Å²	47	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-40.5	-178.9	-66.5	176.8	0	0	0	112	Y25 L55 I67 A69 I89 V90 S96 C97	Y25-L93 HydrophobicContact CD1-CD2 4.24Å; Y25-L93 HydrophobicContact CE1-CD2 3.79Å; L55-L93 HydrophobicContact CD1-CD2 4.18Å; L55-L93 HydrophobicContact CD2-CD2 3.97Å; I67-L93 HydrophobicContact CD1-CB 4.29Å; I67-L93 HydrophobicContact CG2-CD1 3.65Å; A69-L93 HydrophobicContact CB-CD1 3.67Å; I89-L93 HydrophobicContact CG2-CD1 3.95Å; I89-L93 WeakPolarHBondContact O-CG 3.32Å; I89-L93 PolarHBondContact O-N 3.44Å; I89-L93 VanDerWaalsContact O-N 3.12Å; V90-L93 PolarHBondContact O-N 2.91Å; L93-S96 PolarHBondContact O-N 3.4Å; L93-C97 PolarHBondContact O-N 2.84Å; L93-C97 PolarHBondContact O-SG 3.32Å
94	I	98.6	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.6	-37.9	178.3	-63.7	-68.6	0	0	0	111.5	I67 V90 E92 S96 C97 A98 I106 I108 A120 I123 L124	I67-I94 HydrophobicContact CD1-CD1 3.65Å; I67-I94 HydrophobicContact CD1-CG1 4.35Å; V90-I94 HydrophobicContact CG1-CG1 3.84Å; V90-I94 WeakPolarHBondContact O-CB 3.06Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 3.26Å; E92-I94 PolarHBondContact O-N 2.96Å; I94-S96 VanDerWaalsContact C-N 3.25Å; I94-S96 PolarHBondContact O-N 3.16Å; I94-C97 PolarHBondContact O-N 3.05Å; I94-A98 WeakPolarHBondContact O-CB 3.07Å; I94-A98 PolarHBondContact O-N 3.17Å; I94-I106 HydrophobicContact CD1-CD1 4.25Å; I94-I106 HydrophobicContact CD1-CG2 3.59Å; I94-I108 HydrophobicContact CD1-CD1 4.22Å; I94-A120 HydrophobicContact CB-CB 4.44Å; I94-A120 HydrophobicContact CD1-CB 3.79Å; I94-A120 HydrophobicContact CG1-CB 3.67Å; I94-A120 HydrophobicContact CG2-CB 4.13Å; I94-I123 HydrophobicContact CB-CG2 4.4Å; I94-I123 HydrophobicContact CG2-CB 3.95Å; I94-I123 HydrophobicContact CG2-CG2 3.84Å; I94-L124 HydrophobicContact CG2-CD1 4.48Å; I94-L124 HydrophobicContact CG2-CD2 4.1Å; I94-L124 HydrophobicContact CG2-CG 3.84Å
95	D	98.5	Very high	97.8	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-57.9	-41.5	172.9	-179.7	79.7	0	0	0	111.1	A91 E92 A98 K99 I123 H127	A91-D95 VanDerWaalsContact O-CB 3.3Å; A91-D95 WeakPolarHBondContact O-CB 3.23Å; A91-D95 PolarHBondContact O-N 2.93Å; E92-D95 PolarHBondContact O-N 3.24Å; D95-A98 PolarHBondContact O-N 2.76Å; D95-K99 WeakPolarHBondContact O-CG 3.45Å; D95-K99 PolarHBondContact O-N 2.77Å; D95-K99 IonicContact OD1-NZ 3.66Å; D95-K99 VanDerWaalsContact OD2-CE 3.25Å; D95-K99 WeakPolarHBondContact OD2-CE 3.4Å; D95-K99 IonicContact OD2-NZ 2.63Å; D95-K99 PolarHBondContact OD2-NZ 3.43Å; D95-I123 HydrophobicContact CB-CG2 4.17Å; D95-H127 IonicContact OD1-CD2 3.46Å; D95-H127 IonicContact OD1-CE1 2.7Å; D95-H127 PolarHBondContact OD1-CE1 3.46Å; D95-H127 IonicContact OD1-NE2 2.7Å; D95-H127 PolarHBondContact OD1-NE2 3.43Å
96	S	98.4	Very high	98	Very high	15 Å²	15	41.9 Å²	41.9	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-69	-39.4	174.4	-163.5	0	0	0	0	113	L55 L59 E92 L93 I94 A98 K99 N100	L55-S96 WeakPolarHBondContact CD2-OG 3.4Å; L55-S96 WeakPolarHBondContact CG-OG 3.04Å; L59-S96 VanDerWaalsContact CD1-OG 3.27Å; L59-S96 WeakPolarHBondContact CD1-OG 3.42Å; E92-S96 PolarHBondContact O-N 3.4Å; E92-S96 VanDerWaalsContact O-N 3.09Å; L93-S96 PolarHBondContact O-N 3.4Å; I94-S96 VanDerWaalsContact C-N 3.25Å; I94-S96 PolarHBondContact O-N 3.16Å; S96-A98 VanDerWaalsContact C-N 3.32Å; S96-A98 PolarHBondContact O-N 2.88Å; S96-K99 PolarHBondContact O-N 3.45Å; S96-N100 WeakPolarHBondContact O-CB 3.31Å; S96-N100 PolarHBondContact O-N 3.02Å; S96-N100 PolarHBondContact O-ND2 3.46Å; S96-N100 PolarHBondContact OG-ND2 2.83Å; S96-N100 VanDerWaalsContact OG-ND2 3.11Å
97	C	98.7	Very high	98.2	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174.1	-66.5	0	0	0	0	111.6	L93 I94 K99 N100 C101 I106	L93-C97 PolarHBondContact O-N 2.84Å; L93-C97 PolarHBondContact O-SG 3.32Å; I94-C97 PolarHBondContact O-N 3.05Å; C97-K99 PolarHBondContact O-N 3.33Å; C97-N100 PolarHBondContact O-N 3.18Å; C97-C101 CarbonylContact O-C 3.6Å; C97-C101 WeakPolarHBondContact O-CA 3.34Å; C97-C101 PolarHBondContact O-N 3.34Å; C97-I106 HydrophobicContact CB-CD1 4.01Å
98	A	98.6	Very high	98.3	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-36.3	178.5	0	0	0	0	0	112.2	I94 D95 S96 L124 H127 V129	I94-A98 WeakPolarHBondContact O-CB 3.07Å; I94-A98 PolarHBondContact O-N 3.17Å; D95-A98 PolarHBondContact O-N 2.76Å; S96-A98 VanDerWaalsContact C-N 3.32Å; S96-A98 PolarHBondContact O-N 2.88Å; A98-L124 HydrophobicContact CB-CD2 4Å; A98-H127 HydrophobicContact CB-CB 3.79Å; A98-V129 HydrophobicContact CB-CG2 3.84Å
99	K	98.3	Very high	98.3	Very high	124 Å²	124	40.1 Å²	40.1	54%	0.539	21%	0.207	S	C	.	.	H	α-helix	trans	-80.7	-39.9	179.9	-68.5	167.9	-178.2	169.5	0	113.4	D95 S96 C97	D95-K99 WeakPolarHBondContact O-CG 3.45Å; D95-K99 PolarHBondContact O-N 2.77Å; D95-K99 IonicContact OD1-NZ 3.66Å; D95-K99 VanDerWaalsContact OD2-CE 3.25Å; D95-K99 WeakPolarHBondContact OD2-CE 3.4Å; D95-K99 IonicContact OD2-NZ 2.63Å; D95-K99 PolarHBondContact OD2-NZ 3.43Å; S96-K99 PolarHBondContact O-N 3.45Å; C97-K99 PolarHBondContact O-N 3.33Å
100	N	98.5	Very high	98.3	Very high	53 Å²	53	38 Å²	38	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-107.4	-25.2	-165.7	-60.7	-66.9	0	0	0	114.2	L59 S96 C97	L59-N100 HydrophobicContact CB-CB 3.86Å; L59-N100 HydrophobicContact CD1-CB 4.43Å; S96-N100 WeakPolarHBondContact O-CB 3.31Å; S96-N100 PolarHBondContact O-N 3.02Å; S96-N100 PolarHBondContact O-ND2 3.46Å; S96-N100 PolarHBondContact OG-ND2 2.83Å; S96-N100 VanDerWaalsContact OG-ND2 3.11Å; C97-N100 PolarHBondContact O-N 3.18Å
101	C	98.5	Very high	98.1	Very high	8 Å²	8	43 Å²	43	5%	0.054	22%	0.222	C	C	.	.			trans	-147	55.2	179.6	60.8	0	0	0	0	113.2	L59 A62 C97 K103 A104	L59-C101 VanDerWaalsContact O-CB 3.29Å; L59-C101 WeakPolarHBondContact O-CB 3.05Å; A62-C101 HydrophobicContact CB-CB 4.38Å; C97-C101 CarbonylContact O-C 3.6Å; C97-C101 WeakPolarHBondContact O-CA 3.34Å; C97-C101 PolarHBondContact O-N 3.34Å; C101-K103 PolarHBondContact O-N 3.4Å; C101-A104 HydrophobicContact CB-CB 4.1Å; C101-A104 WeakPolarHBondContact O-CB 3.31Å; C101-A104 PolarHBondContact O-N 3.13Å
102	P	98.3	Very high	97.9	Very high	57 Å²	57	43.7 Å²	43.7	37%	0.37	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.4	-172.4	24.3	-35.6	0	0	0	115.3	V129	P102-V129 HydrophobicContact CB-CB 3.74Å; P102-V129 HydrophobicContact CB-CG1 3.7Å; P102-V129 HydrophobicContact CB-CG2 4.12Å
103	K	98.3	Very high	97.7	Very high	168 Å²	168	39.6 Å²	39.6	73%	0.73	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.2	177.9	-63.2	-175.5	179.7	178.5	0	113.5	C101 R134	C101-K103 PolarHBondContact O-N 3.4Å; K103-R134 PolarHBondContact O-NH1 2.99Å
104	A	98.7	Very high	97.6	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.239	C	C	.	.	S	Bend	trans	-65.3	150.6	178.7	0	0	0	0	0	111.4	A62 N63 V65 C101	A62-A104 WeakPolarHBondContact O-CB 3.45Å; N63-A104 CarbonylContact O-C 3.6Å; N63-A104 WeakPolarHBondContact O-CA 3.37Å; V65-A104 HydrophobicContact CG2-CB 3.93Å; C101-A104 HydrophobicContact CB-CB 4.1Å; C101-A104 WeakPolarHBondContact O-CB 3.31Å; C101-A104 PolarHBondContact O-N 3.13Å
105	M	98.8	Very high	97.4	Very high	87 Å²	87	47.6 Å²	47.6	43%	0.429	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.9	163.7	-63.4	-177.6	-178.6	0	0	108.4	N63 V64 V65 R134 F136	N63-M105 PolarHBondContact O-N 3.23Å; V64-M105 CarbonylContact C-O 3.57Å; V64-M105 VanDerWaalsContact CA-O 3.31Å; V64-M105 WeakPolarHBondContact CA-O 3.35Å; V64-M105 HydrophobicContact CG2-CB 4.33Å; V65-M105 PolarHBondContact N-O 3.02Å; M105-R134 CarbonylContact C-O 3.16Å; M105-R134 WeakPolarHBondContact CA-O 3.45Å; M105-F136 HydrophobicContact CB-CE2 4.09Å; M105-F136 HydrophobicContact CG-CE2 4.3Å
106	I	98.8	Very high	97.3	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.8	-177	-60.7	173.6	0	0	0	108.9	I67 I94 C97 I108 L124 R134 L135 F136	I67-I106 HydrophobicContact CD1-CG2 4.1Å; I94-I106 HydrophobicContact CD1-CD1 4.25Å; I94-I106 HydrophobicContact CD1-CG2 3.59Å; C97-I106 HydrophobicContact CB-CD1 4.01Å; I106-I108 HydrophobicContact CG2-CG1 4.1Å; I106-L124 HydrophobicContact CD1-CD1 4.16Å; I106-L124 HydrophobicContact CD1-CD2 4.11Å; I106-R134 PolarHBondContact N-O 3Å; I106-L135 HydrophobicContact CB-CD1 4.03Å; I106-L135 HydrophobicContact CG2-CD1 3.87Å; I106-F136 PolarHBondContact O-N 2.66Å
107	C	98.7	Very high	97.3	Very high	26 Å²	26	46 Å²	46	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106.7	-180	-61.8	0	0	0	0	109.8	V65 I66 I67 V138	V65-C107 PolarHBondContact O-N 2.78Å; I66-C107 HydrophobicContact CG1-CB 4.28Å; I66-C107 HydrophobicContact CG2-CB 4.4Å; I67-C107 PolarHBondContact N-O 3.42Å; C107-V138 HydrophobicContact CB-CG2 3.78Å
108	I	98.4	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117	-178.8	-58.7	179.6	0	0	0	109.6	V90 I94 I106 T116 V117 A120 L135 F136 V138	V90-I108 HydrophobicContact CG1-CD1 4.37Å; I94-I108 HydrophobicContact CD1-CD1 4.22Å; I106-I108 HydrophobicContact CG2-CG1 4.1Å; I108-T116 WeakPolarHBondContact CG2-OG1 3.35Å; I108-V117 HydrophobicContact CB-CG2 4.24Å; I108-V117 HydrophobicContact CD1-CG2 4.27Å; I108-A120 HydrophobicContact CD1-CB 3.33Å; I108-L135 HydrophobicContact CD1-CD1 3.8Å; I108-L135 HydrophobicContact CG1-CD1 4.31Å; I108-F136 PolarHBondContact N-O 3.06Å; I108-V138 PolarHBondContact O-N 2.85Å
109	I	97.7	Very high	97.3	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.185	27%	0.273	C	S	.	.			trans	-100.1	-23.3	171.7	-63.4	168.6	0	0	0	110.1	I5 L9 I66 I67 P68 N111 V138	I5-I109 HydrophobicContact CD1-CG2 4.25Å; L9-I109 HydrophobicContact CD2-CD1 4.2Å; I66-I109 HydrophobicContact CG2-CD1 3.48Å; I66-I109 VanDerWaalsContact CG2-CD1 3.48Å; I66-I109 HydrophobicContact CG2-CG1 4.29Å; I67-I109 WeakPolarHBondContact O-CB 3.36Å; I67-I109 PolarHBondContact O-N 2.61Å; P68-I109 HydrophobicContact CB-CB 4.36Å; P68-I109 HydrophobicContact CB-CD1 4.22Å; P68-I109 HydrophobicContact CB-CG2 4.4Å; I109-N111 PolarHBondContact O-N 2.92Å; I109-N111 VanDerWaalsContact O-N 3.16Å; I109-V138 HydrophobicContact CG1-CB 3.76Å; I109-V138 HydrophobicContact CG1-CG1 4.14Å; I109-V138 HydrophobicContact CG1-CG2 3.74Å
110	T	96.5	Very high	97.3	Very high	4 Å²	4	45 Å²	45	3%	0.025	25%	0.247	C	C	.	.	S	Bend	trans	-54.2	119.9	-176.8	-50.7	0	0	0	0	112.7	I67 A69 N86 V90 T116	I67-T110 PolarHBondContact O-N 2.71Å; I67-T110 PolarHBondContact O-OG1 3.39Å; A69-T110 WeakPolarHBondContact O-CB 3.43Å; A69-T110 WeakPolarHBondContact O-CG2 3.27Å; A69-T110 PolarHBondContact O-OG1 3.02Å; N86-T110 HydrophobicContact CB-CG2 3.72Å; V90-T110 HydrophobicContact CG2-CG2 3.64Å; T110-T116 HydrophobicContact CG2-CG2 4.29Å; T110-T116 WeakPolarHBondContact O-CG2 3.48Å; T110-T116 PolarHBondContact O-OG1 2.92Å
111	N	93.4	Very high	97.3	Very high	103 Å²	103	42.8 Å²	42.8	55%	0.551	24%	0.237	S	C	*	.	S	Bend	trans	-76.3	148.1	176.1	-82.9	-49	0	0	0	112.6	N86 I109	N86-N111 VanDerWaalsContact CB-O 3.31Å; N86-N111 WeakPolarHBondContact CB-O 3.45Å; N86-N111 PolarHBondContact ND2-O 2.68Å; I109-N111 PolarHBondContact O-N 2.92Å; I109-N111 VanDerWaalsContact O-N 3.16Å
112	P	93.6	Very high	97.3	Very high	44 Å²	44	46.7 Å²	46.7	29%	0.286	25%	0.254	S	S	.	.	P	Polyproline II helix	cis	-80.6	121.7	-5.7	30.2	-31.4	0	0	0	111.7	F83 N114 S115 T116	F83-P112 HydrophobicContact CD2-CG 3.84Å; P112-N114 PolarHBondContact O-N 2.79Å; P112-N114 VanDerWaalsContact O-N 3.17Å; P112-S115 PolarHBondContact O-N 2.86Å; P112-T116 WeakPolarHBondContact O-CG2 3.37Å; P112-T116 PolarHBondContact O-N 3.22Å; P112-T116 PolarHBondContact O-OG1 2.71Å
113	V	94.9	Very high	97.3	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-55.1	-37.9	-177.3	175.4	0	0	0	0	112.1	S115 T116 V117	V113-S115 PolarHBondContact O-N 3Å; V113-T116 VanDerWaalsContact CA-OG1 3.32Å; V113-T116 WeakPolarHBondContact CA-OG1 3.31Å; V113-T116 PolarHBondContact O-N 3.03Å; V113-T116 PolarHBondContact O-OG1 2.88Å; V113-V117 HydrophobicContact CG1-CG2 3.78Å; V113-V117 WeakPolarHBondContact O-CB 3.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.5Å; V113-V117 PolarHBondContact O-N 2.65Å; V113-V117 VanDerWaalsContact O-N 3.13Å
114	N	94.7	Very high	97.3	Very high	144 Å²	144	37.1 Å²	37.1	77%	0.77	21%	0.208	S	C	*	.	H	α-helix	trans	-59.7	-19.5	178.2	-65.7	-12	0	0	0	114.2	P112 P118	P112-N114 PolarHBondContact O-N 2.79Å; P112-N114 VanDerWaalsContact O-N 3.17Å; N114-P118 WeakPolarHBondContact O-CD 3.47Å; N114-P118 WeakPolarHBondContact O-CG 3.36Å
115	S	95	Very high	97.3	Very high	43 Å²	43	41.3 Å²	41.3	30%	0.301	23%	0.225	S	C	.	.	H	α-helix	trans	-113.5	-34	178.3	-45.7	0	0	0	0	112.4	P112 V113 P118 I119	P112-S115 PolarHBondContact O-N 2.86Å; V113-S115 PolarHBondContact O-N 3Å; S115-P118 WeakPolarHBondContact O-CD 3.28Å; S115-I119 WeakPolarHBondContact O-CD1 3.38Å; S115-I119 VanDerWaalsContact O-CG1 3.26Å; S115-I119 WeakPolarHBondContact O-CG1 3.46Å; S115-I119 PolarHBondContact O-N 3.43Å
116	T	97	Very high	97.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-33.1	-179.3	54.7	0	0	0	0	112.5	V90 I108 T110 P112 V113 I119 A120	V90-T116 HydrophobicContact CG2-CG2 3.91Å; I108-T116 WeakPolarHBondContact CG2-OG1 3.35Å; T110-T116 HydrophobicContact CG2-CG2 4.29Å; T110-T116 WeakPolarHBondContact O-CG2 3.48Å; T110-T116 PolarHBondContact O-OG1 2.92Å; P112-T116 WeakPolarHBondContact O-CG2 3.37Å; P112-T116 PolarHBondContact O-N 3.22Å; P112-T116 PolarHBondContact O-OG1 2.71Å; V113-T116 VanDerWaalsContact CA-OG1 3.32Å; V113-T116 WeakPolarHBondContact CA-OG1 3.31Å; V113-T116 PolarHBondContact O-N 3.03Å; V113-T116 PolarHBondContact O-OG1 2.88Å; T116-I119 PolarHBondContact O-N 3.29Å; T116-A120 WeakPolarHBondContact O-CB 3.47Å; T116-A120 PolarHBondContact O-N 3.13Å
117	V	98.3	Very high	97.3	Very high	34 Å²	34	49.2 Å²	49.2	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-49	175	173.1	0	0	0	0	112.1	I108 V113 I119 A120 A121 L135 G137	I108-V117 HydrophobicContact CB-CG2 4.24Å; I108-V117 HydrophobicContact CD1-CG2 4.27Å; V113-V117 HydrophobicContact CG1-CG2 3.78Å; V113-V117 WeakPolarHBondContact O-CB 3.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.5Å; V113-V117 PolarHBondContact O-N 2.65Å; V113-V117 VanDerWaalsContact O-N 3.13Å; V117-I119 VanDerWaalsContact C-N 3.33Å; V117-I119 PolarHBondContact O-N 3.4Å; V117-A120 PolarHBondContact O-N 3.24Å; V117-A121 PolarHBondContact O-N 3.38Å; V117-L135 HydrophobicContact CG1-CD2 4.18Å; V117-L135 HydrophobicContact CG1-CG 4.34Å; V117-G137 VanDerWaalsContact CG2-CA 3.46Å
118	P	98.2	Very high	97.3	Very high	68 Å²	68	55.2 Å²	55.2	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-55.4	-42.9	170.6	-29.5	34.8	0	0	0	114.1	N114 S115 A120 A121 E122	N114-P118 WeakPolarHBondContact O-CD 3.47Å; N114-P118 WeakPolarHBondContact O-CG 3.36Å; S115-P118 WeakPolarHBondContact O-CD 3.28Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 3.08Å; P118-A121 PolarHBondContact O-N 3.05Å; P118-E122 PolarHBondContact O-N 3.46Å
119	I	98	Very high	97.3	Very high	41 Å²	41	57.3 Å²	57.3	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.7	-71	164	0	0	0	110.7	F83 A87 A91 S115 T116 V117 A121 E122 I123	F83-I119 HydrophobicContact CE2-CD1 3.92Å; F83-I119 HydrophobicContact CZ-CD1 4.05Å; A87-I119 HydrophobicContact CB-CD1 3.62Å; A91-I119 HydrophobicContact CB-CG2 4.38Å; S115-I119 WeakPolarHBondContact O-CD1 3.38Å; S115-I119 VanDerWaalsContact O-CG1 3.26Å; S115-I119 WeakPolarHBondContact O-CG1 3.46Å; S115-I119 PolarHBondContact O-N 3.43Å; T116-I119 PolarHBondContact O-N 3.29Å; V117-I119 VanDerWaalsContact C-N 3.33Å; V117-I119 PolarHBondContact O-N 3.4Å; I119-A121 VanDerWaalsContact C-N 3.35Å; I119-A121 PolarHBondContact O-N 3.37Å; I119-E122 PolarHBondContact O-N 2.7Å; I119-I123 HydrophobicContact CG2-CD1 3.87Å; I119-I123 WeakPolarHBondContact O-CG1 3.26Å; I119-I123 PolarHBondContact O-N 3.24Å; I119-I123 VanDerWaalsContact O-N 3.1Å
120	A	98.6	Very high	97.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-43.5	178.5	0	0	0	0	0	112.2	V90 I94 I108 T116 V117 P118 E122 I123 L124 L135	V90-A120 HydrophobicContact CG1-CB 4.44Å; I94-A120 HydrophobicContact CB-CB 4.44Å; I94-A120 HydrophobicContact CD1-CB 3.79Å; I94-A120 HydrophobicContact CG1-CB 3.67Å; I94-A120 HydrophobicContact CG2-CB 4.13Å; I108-A120 HydrophobicContact CD1-CB 3.33Å; T116-A120 WeakPolarHBondContact O-CB 3.47Å; T116-A120 PolarHBondContact O-N 3.13Å; V117-A120 PolarHBondContact O-N 3.24Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 3.08Å; A120-E122 VanDerWaalsContact C-N 3.34Å; A120-E122 PolarHBondContact O-N 3.32Å; A120-I123 PolarHBondContact O-N 3.25Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.39Å; A120-L124 PolarHBondContact O-N 3.16Å; A120-L135 HydrophobicContact CB-CD1 3.96Å; A120-L135 HydrophobicContact CB-CD2 4.13Å
121	A	98.7	Very high	97.4	Very high	8 Å²	8	62.1 Å²	62.1	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-45	176.9	0	0	0	0	0	111.8	V117 P118 I119 I123 L124 K125 Y130 L135	V117-A121 PolarHBondContact O-N 3.38Å; P118-A121 PolarHBondContact O-N 3.05Å; I119-A121 VanDerWaalsContact C-N 3.35Å; I119-A121 PolarHBondContact O-N 3.37Å; A121-I123 PolarHBondContact O-N 3.02Å; A121-L124 PolarHBondContact O-N 3.05Å; A121-K125 VanDerWaalsContact O-CG 3.27Å; A121-K125 WeakPolarHBondContact O-CG 3.49Å; A121-K125 PolarHBondContact O-N 3.44Å; A121-Y130 HydrophobicContact CB-CD2 4.23Å; A121-Y130 HydrophobicContact CB-CE2 3.66Å; A121-L135 HydrophobicContact CB-CD2 3.76Å
122	E	98.7	Very high	97.6	Very high	90 Å²	90	61.3 Å²	61.3	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-36.6	179	-69.9	-53.1	124.1	0	0	112.9	P118 I119 A120 K125 R126	P118-E122 PolarHBondContact O-N 3.46Å; I119-E122 PolarHBondContact O-N 2.7Å; A120-E122 VanDerWaalsContact C-N 3.34Å; A120-E122 PolarHBondContact O-N 3.32Å; E122-K125 PolarHBondContact O-N 2.89Å; E122-K125 IonicContact OE1-NZ 3.02Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.25Å
123	I	98.5	Very high	97.8	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-68.5	-45	176.3	-66.6	167.8	0	0	0	110.8	A91 I94 D95 I119 A120 A121 K125 R126 H127	A91-I123 HydrophobicContact CB-CD1 3.48Å; A91-I123 VanDerWaalsContact CB-CD1 3.48Å; I94-I123 HydrophobicContact CB-CG2 4.4Å; I94-I123 HydrophobicContact CG2-CB 3.95Å; I94-I123 HydrophobicContact CG2-CG2 3.84Å; D95-I123 HydrophobicContact CB-CG2 4.17Å; I119-I123 HydrophobicContact CG2-CD1 3.87Å; I119-I123 WeakPolarHBondContact O-CG1 3.26Å; I119-I123 PolarHBondContact O-N 3.24Å; I119-I123 VanDerWaalsContact O-N 3.1Å; A120-I123 PolarHBondContact O-N 3.25Å; A121-I123 PolarHBondContact O-N 3.02Å; I123-K125 VanDerWaalsContact C-N 3.25Å; I123-K125 PolarHBondContact O-N 3.25Å; I123-R126 WeakPolarHBondContact O-CB 3.22Å; I123-R126 PolarHBondContact O-N 3.42Å; I123-R126 VanDerWaalsContact O-N 3.13Å; I123-H127 PolarHBondContact O-CD2 3.46Å; I123-H127 PolarHBondContact O-N 3.48Å
124	L	98.7	Very high	98	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-36.6	175.7	-67.8	166.6	0	0	0	111.8	I94 A98 I106 A120 A121 H127 N128 V129 Y130 L135	I94-L124 HydrophobicContact CG2-CD1 4.48Å; I94-L124 HydrophobicContact CG2-CD2 4.1Å; I94-L124 HydrophobicContact CG2-CG 3.84Å; A98-L124 HydrophobicContact CB-CD2 4Å; I106-L124 HydrophobicContact CD1-CD1 4.16Å; I106-L124 HydrophobicContact CD1-CD2 4.11Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.39Å; A120-L124 PolarHBondContact O-N 3.16Å; A121-L124 PolarHBondContact O-N 3.05Å; L124-H127 PolarHBondContact O-N 3.29Å; L124-N128 PolarHBondContact O-N 2.88Å; L124-V129 HydrophobicContact CD2-CG2 3.96Å; L124-V129 PolarHBondContact O-N 3.39Å; L124-Y130 HydrophobicContact CB-CD2 4Å; L124-Y130 HydrophobicContact CB-CG 4.41Å; L124-Y130 HydrophobicContact CD1-CD2 4.13Å; L124-Y130 PolarHBondContact O-N 2.83Å; L124-L135 HydrophobicContact CD1-CD1 4.39Å; L124-L135 HydrophobicContact CD1-CD2 4.25Å
125	K	98.6	Very high	98.2	Very high	91 Å²	91	64.9 Å²	64.9	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-42.9	174	-74.1	172.3	-169.6	171.8	0	111.8	A121 E122 I123 H127 N128 Y130	A121-K125 VanDerWaalsContact O-CG 3.27Å; A121-K125 WeakPolarHBondContact O-CG 3.49Å; A121-K125 PolarHBondContact O-N 3.44Å; E122-K125 PolarHBondContact O-N 2.89Å; E122-K125 IonicContact OE1-NZ 3.02Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; I123-K125 VanDerWaalsContact C-N 3.25Å; I123-K125 PolarHBondContact O-N 3.25Å; K125-H127 PolarHBondContact O-N 3.28Å; K125-N128 PolarHBondContact O-N 3.04Å; K125-Y130 HydrophobicContact CD-CD1 4.45Å; K125-Y130 HydrophobicContact CG-CD1 3.83Å; K125-Y130 HydrophobicContact CG-CG 3.82Å
126	R	98.3	Very high	98.3	Very high	197 Å²	197	67 Å²	67	74%	0.743	32%	0.32	S	S	*	.	H	α-helix	trans	-59.4	-31.6	176.3	-71.9	172	-171.5	179.1	2.6	112.7	E122 I123	E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.25Å; I123-R126 WeakPolarHBondContact O-CB 3.22Å; I123-R126 PolarHBondContact O-N 3.42Å; I123-R126 VanDerWaalsContact O-N 3.13Å
127	H	98.3	Very high	98.4	Very high	62 Å²	62	68.1 Å²	68.1	29%	0.287	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.1	174.1	-77	-79.3	0	0	0	114.2	D95 A98 I123 L124 K125 V129	D95-H127 IonicContact OD1-CD2 3.46Å; D95-H127 IonicContact OD1-CE1 2.7Å; D95-H127 PolarHBondContact OD1-CE1 3.46Å; D95-H127 IonicContact OD1-NE2 2.7Å; D95-H127 PolarHBondContact OD1-NE2 3.43Å; A98-H127 HydrophobicContact CB-CB 3.79Å; I123-H127 PolarHBondContact O-CD2 3.46Å; I123-H127 PolarHBondContact O-N 3.48Å; L124-H127 PolarHBondContact O-N 3.29Å; K125-H127 PolarHBondContact O-N 3.28Å; H127-V129 VanDerWaalsContact C-N 3.26Å; H127-V129 HydrophobicContact CB-CG2 3.81Å; H127-V129 PolarHBondContact O-N 3.08Å
128	N	98.2	Very high	98.4	Very high	151 Å²	151	69 Å²	69	81%	0.807	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	32.6	-175.3	-60.8	-59	0	0	0	114.5	L124 K125	L124-N128 PolarHBondContact O-N 2.88Å; K125-N128 PolarHBondContact O-N 3.04Å
129	V	98.5	Very high	98.4	Very high	45 Å²	45	69.4 Å²	69.4	27%	0.273	34%	0.339	S	S	.	.			trans	-124	10.8	-178.8	-63.5	0	0	0	0	113.3	A98 P102 L124 H127 D131	A98-V129 HydrophobicContact CB-CG2 3.84Å; P102-V129 HydrophobicContact CB-CB 3.74Å; P102-V129 HydrophobicContact CB-CG1 3.7Å; P102-V129 HydrophobicContact CB-CG2 4.12Å; L124-V129 HydrophobicContact CD2-CG2 3.96Å; L124-V129 PolarHBondContact O-N 3.39Å; H127-V129 VanDerWaalsContact C-N 3.26Å; H127-V129 HydrophobicContact CB-CG2 3.81Å; H127-V129 PolarHBondContact O-N 3.08Å; V129-D131 PolarHBondContact O-N 2.7Å
130	Y	98.6	Very high	98.3	Very high	88 Å²	88	73.7 Å²	73.7	35%	0.345	37%	0.367	S	S	.	.			trans	-66.9	118.5	179.4	179.1	-116.8	0	0	0	112.2	A121 L124 K125 P132 L135	A121-Y130 HydrophobicContact CB-CD2 4.23Å; A121-Y130 HydrophobicContact CB-CE2 3.66Å; L124-Y130 HydrophobicContact CB-CD2 4Å; L124-Y130 HydrophobicContact CB-CG 4.41Å; L124-Y130 HydrophobicContact CD1-CD2 4.13Å; L124-Y130 PolarHBondContact O-N 2.83Å; K125-Y130 HydrophobicContact CD-CD1 4.45Å; K125-Y130 HydrophobicContact CG-CD1 3.83Å; K125-Y130 HydrophobicContact CG-CG 3.82Å; Y130-P132 HydrophobicContact CE1-CB 4.11Å; Y130-P132 HydrophobicContact CE1-CG 4.45Å; Y130-L135 HydrophobicContact CE2-CD2 4.03Å
131	D	98.4	Very high	98.2	Very high	53 Å²	53	81.7 Å²	81.7	28%	0.283	41%	0.409	S	S	.	.			trans	-118.8	111.2	167.4	-178.2	-8.9	0	0	0	108.7	V129 K133 R134	V129-D131 PolarHBondContact O-N 2.7Å; D131-K133 PolarHBondContact O-N 3.16Å; D131-K133 WeakPolarHBondContact OD1-CB 3.46Å; D131-K133 PolarHBondContact OD1-N 3.1Å; D131-R134 HydrophobicContact CB-CB 4.22Å; D131-R134 HydrophobicContact CB-CG 4.11Å; D131-R134 PolarHBondContact O-N 3.13Å; D131-R134 VanDerWaalsContact OD2-CD 3.3Å; D131-R134 WeakPolarHBondContact OD2-CD 3.31Å; D131-R134 WeakPolarHBondContact OD2-CG 3.28Å; D131-R134 IonicContact OD2-NE 3.81Å; D131-R134 PolarHBondContact OD2-NE 3.38Å
132	P	97.5	Very high	97.6	Very high	85 Å²	85	90.5 Å²	90.5	55%	0.552	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16	-179.3	26.2	-34.8	0	0	0	113.3	Y130 R134	Y130-P132 HydrophobicContact CE1-CB 4.11Å; Y130-P132 HydrophobicContact CE1-CG 4.45Å; P132-R134 VanDerWaalsContact C-N 3.28Å
133	K	98.3	Very high	97.6	Very high	171 Å²	171	90.5 Å²	90.5	74%	0.743	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.2	176.3	-58.6	-179.5	179.2	178.9	0	113.3	D131 F136	D131-K133 PolarHBondContact O-N 3.16Å; D131-K133 WeakPolarHBondContact OD1-CB 3.46Å; D131-K133 PolarHBondContact OD1-N 3.1Å; K133-F136 WeakPolarHBondContact O-CZ 3.43Å
134	R	98.4	Very high	97.5	Very high	93 Å²	93	94.4 Å²	94.4	35%	0.351	48%	0.476	S	S	.	.	S	Bend	trans	-124.4	0.8	-174	-64.2	-178.3	-176.1	-89.3	-10.5	114.1	K103 M105 I106 D131 P132	K103-R134 PolarHBondContact O-NH1 2.99Å; M105-R134 CarbonylContact C-O 3.16Å; M105-R134 WeakPolarHBondContact CA-O 3.45Å; I106-R134 PolarHBondContact N-O 3Å; D131-R134 HydrophobicContact CB-CB 4.22Å; D131-R134 HydrophobicContact CB-CG 4.11Å; D131-R134 PolarHBondContact O-N 3.13Å; D131-R134 VanDerWaalsContact OD2-CD 3.3Å; D131-R134 WeakPolarHBondContact OD2-CD 3.31Å; D131-R134 WeakPolarHBondContact OD2-CG 3.28Å; D131-R134 IonicContact OD2-NE 3.81Å; D131-R134 PolarHBondContact OD2-NE 3.38Å; P132-R134 VanDerWaalsContact C-N 3.28Å
135	L	98.7	Very high	97.4	Very high	18 Å²	18	99.2 Å²	99.2	9%	0.094	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	177.4	179.5	65.4	0	0	0	109.9	I106 I108 V117 A120 A121 L124 Y130	I106-L135 HydrophobicContact CB-CD1 4.03Å; I106-L135 HydrophobicContact CG2-CD1 3.87Å; I108-L135 HydrophobicContact CD1-CD1 3.8Å; I108-L135 HydrophobicContact CG1-CD1 4.31Å; V117-L135 HydrophobicContact CG1-CD2 4.18Å; V117-L135 HydrophobicContact CG1-CG 4.34Å; A120-L135 HydrophobicContact CB-CD1 3.96Å; A120-L135 HydrophobicContact CB-CD2 4.13Å; A121-L135 HydrophobicContact CB-CD2 3.76Å; L124-L135 HydrophobicContact CD1-CD1 4.39Å; L124-L135 HydrophobicContact CD1-CD2 4.25Å; Y130-L135 HydrophobicContact CE2-CD2 4.03Å
136	F	98.7	Very high	97.4	Very high	87 Å²	87	99.7 Å²	99.7	38%	0.382	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	-174.9	-53.3	-81.4	0	0	0	110.7	M105 I106 I108 K133	M105-F136 HydrophobicContact CB-CE2 4.09Å; M105-F136 HydrophobicContact CG-CE2 4.3Å; I106-F136 PolarHBondContact O-N 2.66Å; I108-F136 PolarHBondContact N-O 3.06Å; K133-F136 WeakPolarHBondContact O-CZ 3.43Å
137	G	98.4	Very high	97.3	Very high	25 Å²	25	93.6 Å²	93.6	26%	0.258	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.9	158.7	0	0	0	0	0	108.9	V117 T139	V117-G137 VanDerWaalsContact CG2-CA 3.46Å; G137-T139 PolarHBondContact O-N 3.1Å
138	V	98.1	Very high	97.2	Very high	53 Å²	53	95.7 Å²	95.7	32%	0.321	51%	0.506	S	S	.	.			trans	-81.1	102.9	-178.1	-177.9	0	0	0	0	109.2	C107 I108 I109	C107-V138 HydrophobicContact CB-CG2 3.78Å; I108-V138 PolarHBondContact O-N 2.85Å; I109-V138 HydrophobicContact CG1-CB 3.76Å; I109-V138 HydrophobicContact CG1-CG1 4.14Å; I109-V138 HydrophobicContact CG1-CG2 3.74Å
139	T	97.8	Very high	97.2	Very high	76 Å²	76	91.8 Å²	91.8	47%	0.466	48%	0.484	S	S	.	.			trans	-110.2	12	177.8	60.1	0	0	0	0	112.5	G137 L141 D142	G137-T139 PolarHBondContact O-N 3.1Å; T139-L141 PolarHBondContact O-N 3.14Å; T139-D142 WeakPolarHBondContact CB-OD2 3.37Å; T139-D142 WeakPolarHBondContact O-CB 3.4Å; T139-D142 PolarHBondContact O-N 3.32Å
140	T	97.4	Very high	97.1	Very high	130 Å²	130	95.4 Å²	95.4	80%	0.798	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12	-176.1	-40.2	0	0	0	0	114
141	L	95.3	Very high	96.9	Very high	169 Å²	169	96 Å²	96	89%	0.885	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-22.5	175.4	-176.9	61.6	0	0	0	112.9	T139	T139-L141 PolarHBondContact O-N 3.14Å
142	D	86.5	Confident	96.8	Very high	192 Å²	192	99.9 Å²	99.9	100%	1.027	53%	0.534	S	S	*	.			trans	-69.7	0	179.8	-59.6	-33.3	0	0	0	111.6	T139	T139-D142 WeakPolarHBondContact CB-OD2 3.37Å; T139-D142 WeakPolarHBondContact O-CB 3.4Å; T139-D142 PolarHBondContact O-N 3.32Å

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