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Cytochrome c-like protein

Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfers this electron to the cytochrome oxidase complex, the final protein carrier in the mitochondrial electron-transport chain.

AlphaFold DB , UniProt , Accession Q15EU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 108 aa.

						>Q15EU2_SCHMA|Q15EU2
MGFSEGDIEKGKKLFVQRCSQCHTVEKGGPHKVGPNLSGLFGRKTGQAPGYTYTAANISKGIIWNEQSLFEYLENPKKFIPGTKMVFAGLKKDTDRNDIISYLKEATK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.8	Low	94.8	Very high	203 Å²	203	80.8 Å²	80.8	100%	1	43%	0.428	S	S	*	.				0	149.1	0	-97.9	150.6	171.1	0	0	108.2	F70	M1-F70 WeakPolarHBondContact O-CE1 3.27Å
2	G	89.7	Confident	95.1	Very high	33 Å²	33	82.3 Å²	82.3	34%	0.34	43%	0.428	S	S	.	.			trans	-91.3	-174.9	173.7	0	0	0	0	0	111.2	Q67	G2-Q67 VanDerWaalsContact CA-OE1 3.28Å
3	F	97.6	Very high	95.4	Very high	48 Å²	48	86.2 Å²	86.2	21%	0.211	44%	0.439	C	S	.	.			trans	-58.2	142.7	173.8	169.2	-99	0	0	0	112.1	E5 E66 Q67 F70 I100	F3-E5 HydrophobicContact CE1-CG 4.31Å; F3-E5 HydrophobicContact CZ-CG 4.23Å; F3-E66 HydrophobicContact CB-CB 3.99Å; F3-E66 HydrophobicContact CD1-CB 3.43Å; F3-E66 VanDerWaalsContact CD1-CB 3.43Å; F3-E66 HydrophobicContact CD1-CG 3.86Å; F3-E66 HydrophobicContact CD2-CB 4.02Å; F3-E66 HydrophobicContact CE1-CB 3.84Å; F3-E66 HydrophobicContact CE1-CG 3.7Å; F3-E66 HydrophobicContact CE2-CB 4.37Å; F3-E66 HydrophobicContact CE2-CG 4.44Å; F3-E66 HydrophobicContact CG-CB 3.52Å; F3-E66 HydrophobicContact CG-CG 4.29Å; F3-E66 HydrophobicContact CZ-CB 4.28Å; F3-E66 HydrophobicContact CZ-CG 4Å; F3-Q67 VanDerWaalsContact N-OE1 3.12Å; F3-F70 HydrophobicContact CB-CB 4.25Å; F3-F70 HydrophobicContact CB-CD2 4.32Å; F3-F70 HydrophobicContact CB-CG 4.43Å; F3-I100 HydrophobicContact CD2-CB 4.08Å; F3-I100 HydrophobicContact CD2-CD1 4.35Å; F3-I100 HydrophobicContact CD2-CG2 3.71Å; F3-I100 HydrophobicContact CE2-CB 3.87Å; F3-I100 HydrophobicContact CE2-CG2 3.5Å; F3-I100 VanDerWaalsContact CE2-CG2 3.5Å; F3-I100 HydrophobicContact CZ-CG2 4.26Å
4	S	97.5	Very high	95.6	Very high	65 Å²	65	81.4 Å²	81.4	46%	0.455	42%	0.415	S	S	.	.			trans	-138.8	151.2	163	60.6	0	0	0	0	109	G6 N97	S4-G6 PolarHBondContact O-N 2.83Å; S4-N97 PolarHBondContact N-OD1 2.77Å; S4-N97 VanDerWaalsContact O-CB 3.25Å; S4-N97 WeakPolarHBondContact O-CB 3.47Å; S4-N97 PolarHBondContact O-OD1 3.4Å; S4-N97 PolarHBondContact OG-ND2 2.75Å
5	E	97.7	Very high	95.8	Very high	164 Å²	164	76.6 Å²	76.6	77%	0.766	39%	0.39	S	S	*	.			trans	-56.3	124.5	178.7	-72.9	-176.5	165.2	0	0	111.5	F3	F3-E5 HydrophobicContact CE1-CG 4.31Å; F3-E5 HydrophobicContact CZ-CG 4.23Å
6	G	98.1	Very high	96	Very high	25 Å²	25	77.3 Å²	77.3	26%	0.258	40%	0.399	S	S	.	.			trans	-106.8	-173.7	175.8	0	0	0	0	0	113.6	S4 I8 D98 S101	S4-G6 PolarHBondContact O-N 2.83Å; G6-I8 PolarHBondContact O-N 2.7Å; G6-D98 WeakPolarHBondContact CA-OD1 3.17Å; G6-S101 PolarHBondContact N-OG 3.37Å; G6-S101 PolarHBondContact O-OG 2.77Å
7	D	98.7	Very high	96.1	Very high	65 Å²	65	80.7 Å²	80.7	35%	0.348	41%	0.413	S	S	.	.			trans	-80.8	111.4	179.9	-179.9	-30.8	0	0	0	110.5	E9 K10 G11 D98	D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 2.86Å; D7-E9 WeakPolarHBondContact OD1-CB 3.46Å; D7-E9 PolarHBondContact OD1-N 3.24Å; D7-K10 HydrophobicContact CB-CB 4.06Å; D7-K10 HydrophobicContact CB-CD 3.93Å; D7-K10 HydrophobicContact CB-CG 4.13Å; D7-K10 PolarHBondContact O-N 3.46Å; D7-K10 PolarHBondContact OD1-N 2.94Å; D7-K10 WeakPolarHBondContact OD2-CD 3.49Å; D7-K10 WeakPolarHBondContact OD2-CE 3.42Å; D7-K10 WeakPolarHBondContact OD2-CG 3.42Å; D7-K10 IonicContact OD2-NZ 3.37Å; D7-K10 PolarHBondContact OD2-NZ 3.03Å; D7-G11 PolarHBondContact O-N 3.44Å; D7-D98 PolarHBondContact N-OD1 2.62Å; D7-D98 WeakPolarHBondContact O-CB 3.46Å
8	I	98.5	Very high	96.2	Very high	63 Å²	63	83.9 Å²	83.9	32%	0.323	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-35.7	-177.1	-69.8	163.2	0	0	0	112	G6 G11 K12 Y102 E105	G6-I8 PolarHBondContact O-N 2.7Å; I8-G11 CarbonylContact O-C 3.54Å; I8-G11 PolarHBondContact O-N 3.11Å; I8-K12 WeakPolarHBondContact O-CB 3.19Å; I8-K12 PolarHBondContact O-N 3.4Å; I8-Y102 HydrophobicContact CG2-CD2 4.34Å; I8-E105 WeakPolarHBondContact CG2-OE2 3.17Å
9	E	98.6	Very high	96.3	Very high	110 Å²	110	80.2 Å²	80.2	51%	0.514	40%	0.401	S	S	.	.	H	α-helix	trans	-72	-37.8	-179.4	-72.9	-58.7	131.4	0	0	111.5	D7 G11 K13	D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 2.86Å; D7-E9 WeakPolarHBondContact OD1-CB 3.46Å; D7-E9 PolarHBondContact OD1-N 3.24Å; E9-G11 VanDerWaalsContact C-N 3.34Å; E9-K13 WeakPolarHBondContact O-CG 3.17Å; E9-K13 PolarHBondContact O-N 3.38Å; E9-K13 VanDerWaalsContact O-N 3.17Å
10	K	98.7	Very high	96.4	Very high	113 Å²	113	77.9 Å²	77.9	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-40.4	168.5	-69.9	178.7	-167.7	156.6	0	111.3	D7 K12 K13 L14 D98	D7-K10 HydrophobicContact CB-CB 4.06Å; D7-K10 HydrophobicContact CB-CD 3.93Å; D7-K10 HydrophobicContact CB-CG 4.13Å; D7-K10 PolarHBondContact O-N 3.46Å; D7-K10 PolarHBondContact OD1-N 2.94Å; D7-K10 WeakPolarHBondContact OD2-CD 3.49Å; D7-K10 WeakPolarHBondContact OD2-CE 3.42Å; D7-K10 WeakPolarHBondContact OD2-CG 3.42Å; D7-K10 IonicContact OD2-NZ 3.37Å; D7-K10 PolarHBondContact OD2-NZ 3.03Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 3.07Å; K10-K13 PolarHBondContact O-N 3.18Å; K10-L14 WeakPolarHBondContact O-CG 3.28Å; K10-L14 PolarHBondContact O-N 2.98Å; K10-D98 HydrophobicContact CB-CB 4.22Å; K10-D98 WeakPolarHBondContact CB-OD2 3.45Å
11	G	98.8	Very high	96.5	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-57.5	-44.4	175.1	0	0	0	0	0	112.9	D7 I8 E9 L14 F15 D98	D7-G11 PolarHBondContact O-N 3.44Å; I8-G11 CarbonylContact O-C 3.54Å; I8-G11 PolarHBondContact O-N 3.11Å; E9-G11 VanDerWaalsContact C-N 3.34Å; G11-L14 WeakPolarHBondContact O-CB 3.1Å; G11-L14 PolarHBondContact O-N 3.22Å; G11-F15 WeakPolarHBondContact O-CB 3.49Å; G11-F15 PolarHBondContact O-N 2.8Å; G11-D98 VanDerWaalsContact CA-C 3.4Å; G11-D98 VanDerWaalsContact CA-O 3.24Å; G11-D98 WeakPolarHBondContact CA-O 3.48Å
12	K	98.7	Very high	97.9	Very high	99 Å²	99	72.7 Å²	72.7	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-46.8	174.8	-175.7	176.8	-179.5	177.6	0	111.6	I8 K10 L14 F15 V16 Y102	I8-K12 WeakPolarHBondContact O-CB 3.19Å; I8-K12 PolarHBondContact O-N 3.4Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 3.07Å; K12-L14 VanDerWaalsContact C-N 3.34Å; K12-L14 PolarHBondContact O-N 3.08Å; K12-F15 PolarHBondContact O-N 3.31Å; K12-V16 WeakPolarHBondContact O-CG2 3.42Å; K12-V16 PolarHBondContact O-N 3.31Å; K12-Y102 HydrophobicContact CB-CD2 3.58Å; K12-Y102 HydrophobicContact CB-CE2 3.68Å; K12-Y102 HydrophobicContact CB-CG 4.15Å; K12-Y102 HydrophobicContact CD-CE2 4.22Å; K12-Y102 HydrophobicContact CG-CD2 4.14Å; K12-Y102 HydrophobicContact CG-CE2 3.69Å
13	K	98.7	Very high	98.3	Very high	132 Å²	132	72.1 Å²	72.1	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-44.1	176.3	-70.6	172.9	-175.6	174	0	111.4	E9 K10 V16 Q17	E9-K13 WeakPolarHBondContact O-CG 3.17Å; E9-K13 PolarHBondContact O-N 3.38Å; E9-K13 VanDerWaalsContact O-N 3.17Å; K10-K13 PolarHBondContact O-N 3.18Å; K13-V16 PolarHBondContact O-N 3.46Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.26Å; K13-Q17 PolarHBondContact O-N 3.36Å
14	L	98.6	Very high	98.4	Very high	20 Å²	20	70.9 Å²	70.9	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-43.8	175.5	-76.1	169.8	0	0	0	111.8	K10 G11 K12 V16 Q17 R18 D95 D98 I99	K10-L14 WeakPolarHBondContact O-CG 3.28Å; K10-L14 PolarHBondContact O-N 2.98Å; G11-L14 WeakPolarHBondContact O-CB 3.1Å; G11-L14 PolarHBondContact O-N 3.22Å; K12-L14 VanDerWaalsContact C-N 3.34Å; K12-L14 PolarHBondContact O-N 3.08Å; L14-V16 PolarHBondContact O-N 3.18Å; L14-Q17 PolarHBondContact O-N 3.2Å; L14-R18 VanDerWaalsContact O-CB 3.27Å; L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.31Å; L14-D95 HydrophobicContact CD1-CB 3.8Å; L14-D95 WeakPolarHBondContact CD1-O 3.26Å; L14-D98 HydrophobicContact CD1-CB 4.15Å; L14-I99 HydrophobicContact CB-CB 4.48Å; L14-I99 HydrophobicContact CB-CD1 4.32Å
15	F	98.8	Very high	98.4	Very high	9 Å²	9	68.1 Å²	68.1	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-46.7	176.7	179.7	-91.6	0	0	0	111.7	G11 K12 Q17 R18 C19 S20 H23 V25 L37 I99 Y102 L103	G11-F15 WeakPolarHBondContact O-CB 3.49Å; G11-F15 PolarHBondContact O-N 2.8Å; K12-F15 PolarHBondContact O-N 3.31Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 2.99Å; F15-R18 PolarHBondContact O-N 3.42Å; F15-C19 HydrophobicContact CD2-CB 3.41Å; F15-C19 VanDerWaalsContact CD2-CB 3.41Å; F15-C19 HydrophobicContact CE2-CB 3.51Å; F15-C19 HydrophobicContact CG-CB 4.05Å; F15-C19 HydrophobicContact CZ-CB 4.22Å; F15-C19 CarbonylContact O-C 3.44Å; F15-C19 WeakPolarHBondContact O-CA 3.48Å; F15-C19 WeakPolarHBondContact O-CB 3.38Å; F15-C19 PolarHBondContact O-N 3.06Å; F15-S20 PolarHBondContact O-N 2.76Å; F15-H23 HydrophobicContact CE2-CB 4.25Å; F15-H23 HydrophobicContact CZ-CB 4.04Å; F15-V25 HydrophobicContact CD2-CG1 4.47Å; F15-V25 HydrophobicContact CE1-CG1 4.04Å; F15-V25 HydrophobicContact CE2-CG1 3.69Å; F15-V25 HydrophobicContact CZ-CG1 3.45Å; F15-V25 VanDerWaalsContact CZ-CG1 3.45Å; F15-L37 HydrophobicContact CE2-CD1 4.14Å; F15-I99 HydrophobicContact CB-CD1 4.3Å; F15-I99 HydrophobicContact CB-CG1 4.34Å; F15-Y102 HydrophobicContact CB-CD1 3.67Å; F15-Y102 HydrophobicContact CB-CE1 3.4Å; F15-Y102 VanDerWaalsContact CB-CE1 3.4Å; F15-Y102 AromaticContact CD1-CE1 3.79Å; F15-Y102 HydrophobicContact CD1-CE1 3.79Å; F15-Y102 HydrophobicContact CD2-CD1 4.41Å; F15-Y102 AromaticContact CD2-CE1 3.9Å; F15-Y102 HydrophobicContact CD2-CE1 3.9Å; F15-Y102 HydrophobicContact CG-CD1 4.08Å; F15-Y102 AromaticContact CG-CE1 3.41Å; F15-Y102 HydrophobicContact CG-CE1 3.41Å; F15-Y102 VanDerWaalsContact CG-CE1 3.41Å; F15-L103 HydrophobicContact CD2-CD2 3.8Å; F15-L103 HydrophobicContact CE2-CD2 3.9Å
16	V	98.4	Very high	98.4	Very high	87 Å²	87	66.7 Å²	66.7	53%	0.527	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-46.9	176.3	172.2	0	0	0	0	110.7	K12 K13 L14 S20	K12-V16 WeakPolarHBondContact O-CG2 3.42Å; K12-V16 PolarHBondContact O-N 3.31Å; K13-V16 PolarHBondContact O-N 3.46Å; L14-V16 PolarHBondContact O-N 3.18Å; V16-S20 PolarHBondContact O-OG 3.43Å
17	Q	98	Very high	98.3	Very high	136 Å²	136	73.9 Å²	73.9	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-73.7	-34	-176.5	-69.6	174	-4.7	0	0	114.5	K13 L14 F15	K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.26Å; K13-Q17 PolarHBondContact O-N 3.36Å; L14-Q17 PolarHBondContact O-N 3.2Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 2.99Å
18	R	98.1	Very high	98.2	Very high	138 Å²	138	74.6 Å²	74.6	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-115	-21.1	-165.7	-56.8	-61.7	-172.9	158.8	1.4	114.2	L14 F15 F87 L90	L14-R18 VanDerWaalsContact O-CB 3.27Å; L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.31Å; F15-R18 PolarHBondContact O-N 3.42Å; R18-F87 HydrophobicContact CB-CE2 4.14Å; R18-F87 HydrophobicContact CB-CZ 4.39Å; R18-L90 HydrophobicContact CG-CD2 4.43Å
19	C	98.5	Very high	98.1	Very high	13 Å²	13	72.5 Å²	72.5	9%	0.088	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-32.9	-167.6	-56.6	0	0	0	0	113.7	F15 Q21 C22 H23 I99	F15-C19 HydrophobicContact CD2-CB 3.41Å; F15-C19 VanDerWaalsContact CD2-CB 3.41Å; F15-C19 HydrophobicContact CE2-CB 3.51Å; F15-C19 HydrophobicContact CG-CB 4.05Å; F15-C19 HydrophobicContact CZ-CB 4.22Å; F15-C19 CarbonylContact O-C 3.44Å; F15-C19 WeakPolarHBondContact O-CA 3.48Å; F15-C19 WeakPolarHBondContact O-CB 3.38Å; F15-C19 PolarHBondContact O-N 3.06Å; C19-Q21 PolarHBondContact O-N 3.25Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; C19-C22 PolarHBondContact O-N 2.97Å; C19-H23 PolarHBondContact O-N 3.07Å; C19-I99 VanDerWaalsContact SG-CD1 3.54Å
20	S	97.8	Very high	98.1	Very high	35 Å²	35	71.6 Å²	71.6	25%	0.245	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.3	-169.3	76.3	0	0	0	0	114.8	F15 V16 C22 H23 K32	F15-S20 PolarHBondContact O-N 2.76Å; V16-S20 PolarHBondContact O-OG 3.43Å; S20-C22 PolarHBondContact O-N 3.36Å; S20-H23 VanDerWaalsContact O-O 3.13Å; S20-K32 PolarHBondContact O-NZ 3.19Å
21	Q	97.6	Very high	98.1	Very high	141 Å²	141	69.4 Å²	69.4	66%	0.659	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.5	173	60.5	174.1	7.7	0	0	112.3	C19 K32	C19-Q21 PolarHBondContact O-N 3.25Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; Q21-K32 WeakPolarHBondContact O-CD 3.44Å
22	C	98.6	Very high	98.1	Very high	30 Å²	30	74.3 Å²	74.3	20%	0.203	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-18.1	-175.4	-67.8	0	0	0	0	113	C19 S20 K32 V33 G34	C19-C22 PolarHBondContact O-N 2.97Å; S20-C22 PolarHBondContact O-N 3.36Å; C22-K32 WeakPolarHBondContact O-CB 3.47Å; C22-V33 HydrophobicContact CB-CB 4.24Å; C22-G34 CarbonylContact O-C 3.37Å; C22-G34 WeakPolarHBondContact O-CA 3.28Å; C22-G34 PolarHBondContact O-N 2.86Å
23	H	98.8	Very high	98	Very high	21 Å²	21	75 Å²	75	10%	0.097	40%	0.396	C	S	.	.			trans	-132.2	149.4	-170.1	-66	-74.2	0	0	0	112.7	F15 C19 S20 P35 L37	F15-H23 HydrophobicContact CE2-CB 4.25Å; F15-H23 HydrophobicContact CZ-CB 4.04Å; C19-H23 PolarHBondContact O-N 3.07Å; S20-H23 VanDerWaalsContact O-O 3.13Å; H23-P35 PolarHBondContact ND1-O 2.93Å; H23-L37 HydrophobicContact CB-CD1 3.8Å; H23-L37 HydrophobicContact CB-CG 4.02Å
24	T	98.7	Very high	98	Very high	22 Å²	22	69 Å²	69	14%	0.135	37%	0.371	C	S	.	.			trans	-115.9	155.2	163	56	0	0	0	0	108.1	P30 K32 N36 L37	T24-P30 HydrophobicContact CG2-CG 4.24Å; T24-P30 WeakPolarHBondContact CG2-O 3.15Å; T24-P30 PolarHBondContact OG1-O 3.4Å; T24-K32 HydrophobicContact CG2-CD 4.31Å; T24-K32 HydrophobicContact CG2-CG 4.31Å; T24-N36 PolarHBondContact OG1-ND2 2.79Å; T24-L37 PolarHBondContact O-N 2.93Å
25	V	98.6	Very high	98	Very high	8 Å²	8	68.6 Å²	68.6	5%	0.048	37%	0.37	C	S	.	.			trans	-115.9	-27.5	-178.1	-64.6	0	0	0	0	112.6	F15 L37 S38 L103 A106 T107	F15-V25 HydrophobicContact CD2-CG1 4.47Å; F15-V25 HydrophobicContact CE1-CG1 4.04Å; F15-V25 HydrophobicContact CE2-CG1 3.69Å; F15-V25 HydrophobicContact CZ-CG1 3.45Å; F15-V25 VanDerWaalsContact CZ-CG1 3.45Å; V25-L37 HydrophobicContact CG1-CB 4.39Å; V25-S38 WeakPolarHBondContact O-CA 3.38Å; V25-S38 WeakPolarHBondContact O-CB 3.46Å; V25-S38 PolarHBondContact O-N 3.42Å; V25-L103 HydrophobicContact CG1-CD2 4.11Å; V25-A106 HydrophobicContact CB-CB 4.2Å; V25-A106 WeakPolarHBondContact CB-O 3.35Å; V25-A106 HydrophobicContact CG2-CB 3.97Å; V25-T107 HydrophobicContact CB-CG2 3.91Å; V25-T107 HydrophobicContact CG1-CG2 3.84Å
26	E	97.1	Very high	98	Very high	134 Å²	134	68.8 Å²	68.8	63%	0.626	37%	0.372	S	S	*	.	S	Bend	trans	-60.7	142.2	180	-56.3	-60.3	158.7	0	0	112.6	G28 G29 N36	E26-G28 PolarHBondContact O-N 2.88Å; E26-G29 PolarHBondContact O-N 3.43Å; E26-N36 PolarHBondContact O-ND2 3.47Å
27	K	96.8	Very high	98	Very high	176 Å²	176	65.6 Å²	65.6	77%	0.765	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	128.7	173.5	-174.8	174.6	-179.8	175.6	0	110.6	G29 S38	K27-G29 PolarHBondContact O-N 2.84Å; K27-S38 WeakPolarHBondContact CA-OG 3.03Å
28	G	95.7	Very high	98	Very high	80 Å²	80	59.9 Å²	59.9	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	3.8	-175.5	0	0	0	0	0	114.3	E26	E26-G28 PolarHBondContact O-N 2.88Å
29	G	97.5	Very high	98	Very high	18 Å²	18	54.8 Å²	54.8	19%	0.186	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64.8	150.9	174.9	0	0	0	0	0	112.5	E26 K27 N36	E26-G29 PolarHBondContact O-N 3.43Å; K27-G29 PolarHBondContact O-N 2.84Å; G29-N36 WeakPolarHBondContact O-CB 3.31Å; G29-N36 PolarHBondContact O-ND2 3.45Å
30	P	97.9	Very high	98	Very high	91 Å²	91	54.6 Å²	54.6	59%	0.591	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.9	-177.6	29.4	-36.1	0	0	0	111.4	T24	T24-P30 HydrophobicContact CG2-CG 4.24Å; T24-P30 WeakPolarHBondContact CG2-O 3.15Å; T24-P30 PolarHBondContact OG1-O 3.4Å
31	H	98.4	Very high	98	Very high	67 Å²	67	55.3 Å²	55.3	31%	0.31	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64	147	158.5	-55.3	-27.6	0	0	0	109.7	N36 P49 Y51	H31-N36 WeakPolarHBondContact ND1-CB 3.38Å; H31-N36 PolarHBondContact ND1-N 3.35Å; H31-P49 PolarHBondContact CE1-O 3.47Å; H31-P49 PolarHBondContact NE2-O 3.24Å; H31-Y51 HydrophobicContact CB-CD2 3.92Å; H31-Y51 AromaticContact CD2-CD2 3.98Å; H31-Y51 AromaticContact CG-CD2 3.85Å; H31-Y51 PolarHBondContact NE2-N 2.87Å
32	K	97.9	Very high	98.1	Very high	103 Å²	103	51.3 Å²	51.3	45%	0.448	31%	0.311	S	S	.	.			trans	-113.5	-134.3	168.8	-57.8	-178.8	176.3	179.6	0	107.8	S20 Q21 C22 T24 G34	S20-K32 PolarHBondContact O-NZ 3.19Å; Q21-K32 WeakPolarHBondContact O-CD 3.44Å; C22-K32 WeakPolarHBondContact O-CB 3.47Å; T24-K32 HydrophobicContact CG2-CD 4.31Å; T24-K32 HydrophobicContact CG2-CG 4.31Å; K32-G34 CarbonylContact C-O 3.4Å; K32-G34 PolarHBondContact N-O 3.37Å; K32-G34 PolarHBondContact O-N 3.19Å
33	V	97.8	Very high	98	Very high	113 Å²	113	51.7 Å²	51.7	69%	0.685	31%	0.308	S	S	*	.	S	Bend	trans	-58.5	-39.3	168	-179.1	0	0	0	0	110.5	C22 Y51	C22-V33 HydrophobicContact CB-CB 4.24Å; V33-Y51 PolarHBondContact O-OH 3.43Å
34	G	98.4	Very high	98	Very high	6 Å²	6	55.2 Å²	55.2	6%	0.062	32%	0.323	C	S	.	.	S	Bend	trans	-103.6	169.2	173.3	0	0	0	0	0	113.1	C22 K32	C22-G34 CarbonylContact O-C 3.37Å; C22-G34 WeakPolarHBondContact O-CA 3.28Å; C22-G34 PolarHBondContact O-N 2.86Å; K32-G34 CarbonylContact C-O 3.4Å; K32-G34 PolarHBondContact N-O 3.37Å; K32-G34 PolarHBondContact O-N 3.19Å
35	P	98.6	Very high	98	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.084	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64.2	157.9	176.1	28.5	-38.6	0	0	0	112.3	H23 L37 A48 Y51 Y53	H23-P35 PolarHBondContact ND1-O 2.93Å; P35-L37 HydrophobicContact CG-CD2 4.39Å; P35-A48 HydrophobicContact CB-CB 3.78Å; P35-Y51 HydrophobicContact CB-CD1 3.83Å; P35-Y51 HydrophobicContact CB-CD2 4.02Å; P35-Y51 HydrophobicContact CB-CE1 4.32Å; P35-Y51 HydrophobicContact CB-CE2 4.48Å; P35-Y51 HydrophobicContact CB-CG 3.65Å; P35-Y51 HydrophobicContact CG-CD1 4.25Å; P35-Y51 HydrophobicContact CG-CE1 4.33Å; P35-Y53 HydrophobicContact CB-CE1 4.38Å; P35-Y53 VanDerWaalsContact CB-OH 3.25Å; P35-Y53 WeakPolarHBondContact CB-OH 3.25Å; P35-Y53 HydrophobicContact CG-CE1 3.93Å; P35-Y53 WeakPolarHBondContact CG-OH 3.46Å
36	N	98.7	Very high	98	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.07	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.2	138.9	161.9	173	-80.1	0	0	0	108.8	T24 E26 G29 H31 S38 R43	T24-N36 PolarHBondContact OG1-ND2 2.79Å; E26-N36 PolarHBondContact O-ND2 3.47Å; G29-N36 WeakPolarHBondContact O-CB 3.31Å; G29-N36 PolarHBondContact O-ND2 3.45Å; H31-N36 WeakPolarHBondContact ND1-CB 3.38Å; H31-N36 PolarHBondContact ND1-N 3.35Å; N36-S38 WeakPolarHBondContact OD1-CA 3.29Å; N36-S38 WeakPolarHBondContact OD1-CB 3.37Å; N36-S38 PolarHBondContact OD1-N 3.01Å; N36-R43 PolarHBondContact O-NH2 2.83Å
37	L	98.7	Very high	98	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.099	32%	0.316	C	S	.	.			trans	-98.2	-1	-174.3	-59	-177.2	0	0	0	113.4	F15 H23 T24 V25 P35 G39 L40 L103 T107	F15-L37 HydrophobicContact CE2-CD1 4.14Å; H23-L37 HydrophobicContact CB-CD1 3.8Å; H23-L37 HydrophobicContact CB-CG 4.02Å; T24-L37 PolarHBondContact O-N 2.93Å; V25-L37 HydrophobicContact CG1-CB 4.39Å; P35-L37 HydrophobicContact CG-CD2 4.39Å; L37-G39 PolarHBondContact O-N 3.11Å; L37-L40 WeakPolarHBondContact O-CB 3.45Å; L37-L40 PolarHBondContact O-N 3.38Å; L37-L103 HydrophobicContact CD1-CD2 4.05Å; L37-T107 HydrophobicContact CB-CG2 3.77Å; L37-T107 WeakPolarHBondContact O-CB 3.33Å; L37-T107 WeakPolarHBondContact O-CG2 3.4Å
38	S	98.4	Very high	98.1	Very high	16 Å²	16	45.1 Å²	45.1	11%	0.112	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	138.4	172.8	-178.8	0	0	0	0	110.7	V25 K27 N36 L40 R43	V25-S38 WeakPolarHBondContact O-CA 3.38Å; V25-S38 WeakPolarHBondContact O-CB 3.46Å; V25-S38 PolarHBondContact O-N 3.42Å; K27-S38 WeakPolarHBondContact CA-OG 3.03Å; N36-S38 WeakPolarHBondContact OD1-CA 3.29Å; N36-S38 WeakPolarHBondContact OD1-CB 3.37Å; N36-S38 PolarHBondContact OD1-N 3.01Å; S38-L40 VanDerWaalsContact C-N 3.33Å; S38-R43 PolarHBondContact O-NH1 2.89Å
39	G	97.8	Very high	98.1	Very high	32 Å²	32	46.4 Å²	46.4	33%	0.33	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	33.6	-172.4	0	0	0	0	0	113.4	L37 R43 T107	L37-G39 PolarHBondContact O-N 3.11Å; G39-R43 VanDerWaalsContact O-CB 3.25Å; G39-R43 WeakPolarHBondContact O-CB 3.2Å; G39-T107 WeakPolarHBondContact CA-O 3.4Å; G39-T107 PolarHBondContact N-O 3.28Å
40	L	98.5	Very high	98	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	31%	0.305	C	S	.	.			trans	-67.4	-50.3	-178.4	175.8	63.4	0	0	0	111.9	L37 S38 G42 R43 W64 L69	L37-L40 WeakPolarHBondContact O-CB 3.45Å; L37-L40 PolarHBondContact O-N 3.38Å; S38-L40 VanDerWaalsContact C-N 3.33Å; L40-G42 PolarHBondContact O-N 2.87Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.46Å; L40-R43 VanDerWaalsContact O-N 3.16Å; L40-W64 HydrophobicContact CD1-CB 4.03Å; L40-W64 VanDerWaalsContact CD1-CD1 3.43Å; L40-W64 HydrophobicContact CD1-CD2 4.41Å; L40-W64 HydrophobicContact CD1-CG 3.7Å; L40-W64 HydrophobicContact CG-CB 4.25Å; L40-W64 HydrophobicContact CG-CG 4.4Å; L40-W64 WeakPolarHBondContact O-CB 3.46Å; L40-L69 HydrophobicContact CD2-CD1 4Å; L40-L69 HydrophobicContact CD2-CD2 4.21Å
41	F	98.5	Very high	98.1	Very high	49 Å²	49	46.7 Å²	46.7	22%	0.215	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	129.9	-175.4	-67.3	-101.5	0	0	0	110.3	R43 E66 L69 I100 L103 K104 T107	F41-R43 VanDerWaalsContact C-N 3.28Å; F41-R43 PolarHBondContact O-N 3.3Å; F41-E66 HydrophobicContact CE1-CG 4.11Å; F41-L69 HydrophobicContact CD1-CD1 4.31Å; F41-L69 HydrophobicContact CE1-CD1 3.58Å; F41-L69 HydrophobicContact CE2-CD1 4.1Å; F41-L69 HydrophobicContact CZ-CD1 3.45Å; F41-L69 VanDerWaalsContact CZ-CD1 3.45Å; F41-I100 HydrophobicContact CE1-CG2 4.28Å; F41-I100 HydrophobicContact CZ-CG2 4.3Å; F41-L103 VanDerWaalsContact CE2-C 3.43Å; F41-L103 HydrophobicContact CE2-CB 3.91Å; F41-L103 HydrophobicContact CZ-CB 4.07Å; F41-K104 HydrophobicContact CD1-CG 4.36Å; F41-K104 HydrophobicContact CD2-CB 4.46Å; F41-K104 HydrophobicContact CE1-CB 3.97Å; F41-K104 HydrophobicContact CE1-CG 4.24Å; F41-K104 HydrophobicContact CE2-CB 3.96Å; F41-K104 VanDerWaalsContact CE2-N 3.29Å; F41-K104 HydrophobicContact CZ-CB 3.67Å; F41-K104 HydrophobicContact CZ-CG 4.37Å; F41-T107 WeakPolarHBondContact CD2-OG1 3.37Å; F41-T107 WeakPolarHBondContact CE2-OG1 3.4Å
42	G	98.2	Very high	98	Very high	58 Å²	58	48.8 Å²	48.8	60%	0.598	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-12.4	-173.3	0	0	0	0	0	114.6	L40 W64	L40-G42 PolarHBondContact O-N 2.87Å; G42-W64 PolarHBondContact N-O 2.8Å
43	R	98	Very high	98.1	Very high	37 Å²	37	45.6 Å²	45.6	14%	0.14	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-83.8	143.3	177.6	-172.9	170.4	68.1	-160.5	-2.3	111.3	N36 S38 G39 L40 F41 Q47 W64	N36-R43 PolarHBondContact O-NH2 2.83Å; S38-R43 PolarHBondContact O-NH1 2.89Å; G39-R43 VanDerWaalsContact O-CB 3.25Å; G39-R43 WeakPolarHBondContact O-CB 3.2Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.46Å; L40-R43 VanDerWaalsContact O-N 3.16Å; F41-R43 VanDerWaalsContact C-N 3.28Å; F41-R43 PolarHBondContact O-N 3.3Å; R43-Q47 HydrophobicContact CG-CB 3.88Å; R43-W64 PolarHBondContact O-N 3.37Å
44	K	98.3	Very high	98.1	Very high	95 Å²	95	41.8 Å²	41.8	41%	0.413	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-72.7	153.4	173.8	-160	176.1	-179.3	171.8	0	110.5	Q47 G61 I62	K44-Q47 HydrophobicContact CB-CG 4.22Å; K44-G61 VanDerWaalsContact CE-C 3.48Å; K44-G61 WeakPolarHBondContact CE-O 3.23Å; K44-I62 CarbonylContact C-O 3.29Å; K44-I62 VanDerWaalsContact CA-O 3.26Å; K44-I62 WeakPolarHBondContact CA-O 3.4Å; K44-I62 WeakPolarHBondContact CG-O 3.5Å
45	T	98.5	Very high	98.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	143.3	174.7	56.6	0	0	0	0	111.8	N57 K60 G61 I62 W64 I80	T45-N57 WeakPolarHBondContact CB-O 3.41Å; T45-N57 PolarHBondContact OG1-O 3.3Å; T45-K60 HydrophobicContact CG2-CB 4.38Å; T45-K60 HydrophobicContact CG2-CG 4.34Å; T45-G61 PolarHBondContact OG1-N 3.03Å; T45-I62 HydrophobicContact CG2-CD1 4.3Å; T45-I62 HydrophobicContact CG2-CG1 3.46Å; T45-I62 VanDerWaalsContact CG2-CG1 3.46Å; T45-I62 PolarHBondContact N-O 2.86Å; T45-W64 HydrophobicContact CG2-CD2 4.32Å; T45-W64 HydrophobicContact CG2-CH2 4.11Å; T45-W64 HydrophobicContact CG2-CZ2 3.46Å; T45-W64 VanDerWaalsContact CG2-CZ2 3.46Å; T45-I80 HydrophobicContact CG2-CD1 4.48Å
46	G	98.2	Very high	98.1	Very high	14 Å²	14	45.7 Å²	45.7	14%	0.144	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	21.1	175.1	0	0	0	0	0	116.4	Y53 N57	G46-Y53 VanDerWaalsContact C-CD2 3.44Å; G46-Y53 VanDerWaalsContact O-CD2 3.32Å; G46-Y53 WeakPolarHBondContact O-CD2 3.28Å; G46-N57 WeakPolarHBondContact CA-OD1 3.34Å; G46-N57 PolarHBondContact N-OD1 3.39Å
47	Q	97.9	Very high	98.1	Very high	108 Å²	108	45.7 Å²	45.7	51%	0.505	30%	0.296	S	S	.	.			trans	-120.2	11.9	-171.7	-65.6	-169	-24.7	0	0	116.2	R43 K44 P49	R43-Q47 HydrophobicContact CG-CB 3.88Å; K44-Q47 HydrophobicContact CB-CG 4.22Å; Q47-P49 VanDerWaalsContact O-CD 3.28Å; Q47-P49 WeakPolarHBondContact O-CD 3.24Å
48	A	97.7	Very high	98	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.041	32%	0.315	C	S	.	.			trans	-61.6	122.2	169.8	0	0	0	0	0	109.4	P35 G50 Y51 Y53	P35-A48 HydrophobicContact CB-CB 3.78Å; A48-G50 PolarHBondContact O-N 3.49Å; A48-Y51 PolarHBondContact O-N 2.84Å; A48-Y53 HydrophobicContact CB-CE2 4.01Å; A48-Y53 WeakPolarHBondContact CB-OH 3.24Å; A48-Y53 PolarHBondContact N-OH 3.34Å
49	P	95.6	Very high	98	Very high	107 Å²	107	53 Å²	53	70%	0.695	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	134.2	-177.4	-24	34.1	0	0	0	111.2	H31 Q47 Y51	H31-P49 PolarHBondContact CE1-O 3.47Å; H31-P49 PolarHBondContact NE2-O 3.24Å; Q47-P49 VanDerWaalsContact O-CD 3.28Å; Q47-P49 WeakPolarHBondContact O-CD 3.24Å; P49-Y51 VanDerWaalsContact C-N 3.3Å; P49-Y51 PolarHBondContact O-N 3.2Å
50	G	96.9	Very high	98	Very high	77 Å²	77	55.1 Å²	55.1	79%	0.794	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-9.7	177.3	0	0	0	0	0	115.8	A48	A48-G50 PolarHBondContact O-N 3.49Å
51	Y	98.4	Very high	98	Very high	37 Å²	37	56.1 Å²	56.1	15%	0.145	35%	0.353	C	S	.	.			trans	-93.8	135.6	178.1	-170.7	-96.6	0	0	0	112.3	H31 V33 P35 A48 P49 Y53 K84	H31-Y51 HydrophobicContact CB-CD2 3.92Å; H31-Y51 AromaticContact CD2-CD2 3.98Å; H31-Y51 AromaticContact CG-CD2 3.85Å; H31-Y51 PolarHBondContact NE2-N 2.87Å; V33-Y51 PolarHBondContact O-OH 3.43Å; P35-Y51 HydrophobicContact CB-CD1 3.83Å; P35-Y51 HydrophobicContact CB-CD2 4.02Å; P35-Y51 HydrophobicContact CB-CE1 4.32Å; P35-Y51 HydrophobicContact CB-CE2 4.48Å; P35-Y51 HydrophobicContact CB-CG 3.65Å; P35-Y51 HydrophobicContact CG-CD1 4.25Å; P35-Y51 HydrophobicContact CG-CE1 4.33Å; A48-Y51 PolarHBondContact O-N 2.84Å; P49-Y51 VanDerWaalsContact C-N 3.3Å; P49-Y51 PolarHBondContact O-N 3.2Å; Y51-Y53 AromaticContact CD1-CD1 3.93Å; Y51-Y53 HydrophobicContact CD1-CD1 3.93Å; Y51-Y53 AromaticContact CD1-CD2 3.67Å; Y51-Y53 HydrophobicContact CD1-CD2 3.67Å; Y51-Y53 AromaticContact CD1-CE1 3.86Å; Y51-Y53 HydrophobicContact CD1-CE1 3.86Å; Y51-Y53 AromaticContact CD1-CE2 3.58Å; Y51-Y53 HydrophobicContact CD1-CE2 3.58Å; Y51-Y53 AromaticContact CD1-CG 3.85Å; Y51-Y53 HydrophobicContact CD1-CG 3.85Å; Y51-Y53 AromaticContact CD1-CZ 3.7Å; Y51-Y53 HydrophobicContact CE1-CD1 4.06Å; Y51-Y53 HydrophobicContact CE1-CE1 4.16Å; Y51-Y53 HydrophobicContact CE1-CG 4.27Å; Y51-Y53 HydrophobicContact CG-CE2 4.23Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.5Å; Y51-Y53 PolarHBondContact O-N 2.98Å; Y51-K84 WeakPolarHBondContact OH-CE 3.36Å; Y51-K84 PolarHBondContact OH-NZ 3.49Å
52	T	98.2	Very high	98	Very high	111 Å²	111	55.9 Å²	55.9	68%	0.681	35%	0.353	S	S	*	.			trans	-86.9	110.7	175.2	-59.4	0	0	0	0	111.1	K84	T52-K84 PolarHBondContact O-NZ 3.49Å
53	Y	98.4	Very high	98	Very high	37 Å²	37	57.8 Å²	57.8	15%	0.145	35%	0.349	C	S	.	.			trans	-91.5	163.4	178.8	-73.9	-87.2	0	0	0	113.4	P35 G46 A48 Y51 N57	P35-Y53 HydrophobicContact CB-CE1 4.38Å; P35-Y53 VanDerWaalsContact CB-OH 3.25Å; P35-Y53 WeakPolarHBondContact CB-OH 3.25Å; P35-Y53 HydrophobicContact CG-CE1 3.93Å; P35-Y53 WeakPolarHBondContact CG-OH 3.46Å; G46-Y53 VanDerWaalsContact C-CD2 3.44Å; G46-Y53 VanDerWaalsContact O-CD2 3.32Å; G46-Y53 WeakPolarHBondContact O-CD2 3.28Å; A48-Y53 HydrophobicContact CB-CE2 4.01Å; A48-Y53 WeakPolarHBondContact CB-OH 3.24Å; A48-Y53 PolarHBondContact N-OH 3.34Å; Y51-Y53 AromaticContact CD1-CD1 3.93Å; Y51-Y53 HydrophobicContact CD1-CD1 3.93Å; Y51-Y53 AromaticContact CD1-CD2 3.67Å; Y51-Y53 HydrophobicContact CD1-CD2 3.67Å; Y51-Y53 AromaticContact CD1-CE1 3.86Å; Y51-Y53 HydrophobicContact CD1-CE1 3.86Å; Y51-Y53 AromaticContact CD1-CE2 3.58Å; Y51-Y53 HydrophobicContact CD1-CE2 3.58Å; Y51-Y53 AromaticContact CD1-CG 3.85Å; Y51-Y53 HydrophobicContact CD1-CG 3.85Å; Y51-Y53 AromaticContact CD1-CZ 3.7Å; Y51-Y53 HydrophobicContact CE1-CD1 4.06Å; Y51-Y53 HydrophobicContact CE1-CE1 4.16Å; Y51-Y53 HydrophobicContact CE1-CG 4.27Å; Y51-Y53 HydrophobicContact CG-CE2 4.23Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.5Å; Y51-Y53 PolarHBondContact O-N 2.98Å; Y53-N57 HydrophobicContact CD1-CB 4.07Å
54	T	98.2	Very high	98	Very high	32 Å²	32	56.9 Å²	56.9	20%	0.196	35%	0.345	C	S	.	.			trans	-75.1	151.7	165.8	63.7	0	0	0	0	110.1	A56 N57 I58 G82 K84	T54-A56 PolarHBondContact O-N 2.93Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 PolarHBondContact OG1-N 3.17Å; T54-I58 PolarHBondContact O-N 3.26Å; T54-I58 VanDerWaalsContact O-N 3.16Å; T54-G82 PolarHBondContact OG1-O 3.36Å; T54-K84 HydrophobicContact CG2-CB 3.74Å; T54-K84 HydrophobicContact CG2-CD 3.81Å; T54-K84 HydrophobicContact CG2-CG 3.68Å
55	A	98.2	Very high	98	Very high	80 Å²	80	55.4 Å²	55.4	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-54.6	-36.4	173.5	0	0	0	0	0	111.9	N57 I58 S59	A55-N57 PolarHBondContact O-N 3.3Å; A55-I58 PolarHBondContact O-N 2.88Å; A55-S59 VanDerWaalsContact O-CB 3.25Å; A55-S59 WeakPolarHBondContact O-CB 3.33Å; A55-S59 PolarHBondContact O-N 3.04Å; A55-S59 PolarHBondContact O-OG 3.46Å
56	A	98.4	Very high	98	Very high	21 Å²	21	57.6 Å²	57.6	17%	0.174	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-43.6	175	0	0	0	0	0	113.3	T54 S59 K60 I80 P81	T54-A56 PolarHBondContact O-N 2.93Å; A56-S59 WeakPolarHBondContact CA-OG 3.41Å; A56-S59 PolarHBondContact O-OG 3.44Å; A56-K60 PolarHBondContact O-N 2.92Å; A56-I80 HydrophobicContact CB-CG2 4.03Å; A56-I80 WeakPolarHBondContact O-CG2 3.42Å; A56-P81 WeakPolarHBondContact CB-O 3.26Å
57	N	98.3	Very high	98	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.07	36%	0.362	C	S	.	.	H	α-helix	trans	-69.4	-42.2	179.7	-162.2	-70.8	0	0	0	111.3	T45 G46 Y53 T54 A55	T45-N57 WeakPolarHBondContact CB-O 3.41Å; T45-N57 PolarHBondContact OG1-O 3.3Å; G46-N57 WeakPolarHBondContact CA-OD1 3.34Å; G46-N57 PolarHBondContact N-OD1 3.39Å; Y53-N57 HydrophobicContact CD1-CB 4.07Å; T54-N57 PolarHBondContact O-N 2.85Å; T54-N57 PolarHBondContact OG1-N 3.17Å; A55-N57 PolarHBondContact O-N 3.3Å
58	I	98.3	Very high	98	Very high	95 Å²	95	56 Å²	56	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-48.9	176.8	-60.3	171.2	0	0	0	110.4	T54 A55 K60 G61	T54-I58 PolarHBondContact O-N 3.26Å; T54-I58 VanDerWaalsContact O-N 3.16Å; A55-I58 PolarHBondContact O-N 2.88Å; I58-K60 PolarHBondContact O-N 2.85Å; I58-G61 PolarHBondContact O-N 2.97Å
59	S	97.9	Very high	98.1	Very high	93 Å²	93	56 Å²	56	65%	0.65	34%	0.342	S	S	*	.	H	α-helix	trans	-70.3	-24.9	-175.9	57.4	0	0	0	0	114.6	A55 A56 G61	A55-S59 VanDerWaalsContact O-CB 3.25Å; A55-S59 WeakPolarHBondContact O-CB 3.33Å; A55-S59 PolarHBondContact O-N 3.04Å; A55-S59 PolarHBondContact O-OG 3.46Å; A56-S59 WeakPolarHBondContact CA-OG 3.41Å; A56-S59 PolarHBondContact O-OG 3.44Å; S59-G61 PolarHBondContact O-N 3.38Å; S59-G61 VanDerWaalsContact O-N 3.1Å
60	K	98.1	Very high	98.2	Very high	78 Å²	78	51.1 Å²	51.1	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-51.8	-36.3	175.2	-177.4	66.1	-179.2	-168.7	0	111.7	T45 A56 I58 I62 F79 I80	T45-K60 HydrophobicContact CG2-CB 4.38Å; T45-K60 HydrophobicContact CG2-CG 4.34Å; A56-K60 PolarHBondContact O-N 2.92Å; I58-K60 PolarHBondContact O-N 2.85Å; K60-I62 HydrophobicContact CG-CG1 4.1Å; K60-I62 HydrophobicContact CG-CG2 4.25Å; K60-I62 PolarHBondContact O-N 3.42Å; K60-F79 VanDerWaalsContact CE-CE1 3.46Å; K60-F79 WeakPolarHBondContact CE-O 3.07Å; K60-F79 PolarHBondContact NZ-O 2.77Å; K60-I80 HydrophobicContact CB-CD1 4.19Å; K60-I80 HydrophobicContact CB-CG1 4.37Å; K60-I80 HydrophobicContact CB-CG2 4.4Å; K60-I80 HydrophobicContact CD-CG1 4.28Å; K60-I80 HydrophobicContact CG-CD1 4.05Å; K60-I80 HydrophobicContact CG-CG1 3.99Å
61	G	97.4	Very high	98.3	Very high	29 Å²	29	51.9 Å²	51.9	30%	0.299	29%	0.292	S	S	.	.			trans	61.3	18.9	164.5	0	0	0	0	0	116.4	K44 T45 I58 S59	K44-G61 VanDerWaalsContact CE-C 3.48Å; K44-G61 WeakPolarHBondContact CE-O 3.23Å; T45-G61 PolarHBondContact OG1-N 3.03Å; I58-G61 PolarHBondContact O-N 2.97Å; S59-G61 PolarHBondContact O-N 3.38Å; S59-G61 VanDerWaalsContact O-N 3.1Å
62	I	98.1	Very high	98.3	Very high	44 Å²	44	51 Å²	51	23%	0.226	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-87.9	162	176.5	65.5	143.2	0	0	0	111.1	K44 T45 K60 W64 S68 F79	K44-I62 CarbonylContact C-O 3.29Å; K44-I62 VanDerWaalsContact CA-O 3.26Å; K44-I62 WeakPolarHBondContact CA-O 3.4Å; K44-I62 WeakPolarHBondContact CG-O 3.5Å; T45-I62 HydrophobicContact CG2-CD1 4.3Å; T45-I62 HydrophobicContact CG2-CG1 3.46Å; T45-I62 VanDerWaalsContact CG2-CG1 3.46Å; T45-I62 PolarHBondContact N-O 2.86Å; K60-I62 HydrophobicContact CG-CG1 4.1Å; K60-I62 HydrophobicContact CG-CG2 4.25Å; K60-I62 PolarHBondContact O-N 3.42Å; I62-W64 HydrophobicContact CD1-CE3 3.93Å; I62-W64 HydrophobicContact CD1-CH2 4.41Å; I62-W64 HydrophobicContact CD1-CZ3 3.83Å; I62-S68 VanDerWaalsContact CD1-CB 3.48Å; I62-F79 HydrophobicContact CD1-CE1 3.67Å; I62-F79 HydrophobicContact CD1-CZ 3.86Å; I62-F79 HydrophobicContact CG1-CE1 4.42Å
63	I	98.5	Very high	98.3	Very high	99 Å²	99	46.2 Å²	46.2	51%	0.508	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-88.8	132.1	168.7	-64	172.9	0	0	0	108.7	N65 S68	I63-N65 PolarHBondContact O-N 2.95Å; I63-S68 PolarHBondContact O-OG 3.01Å
64	W	98.6	Very high	98.3	Very high	17 Å²	17	48 Å²	48	6%	0.064	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72	120.3	170.9	-67.9	122.2	0	0	0	110.4	L40 G42 R43 T45 I62 S68 L69 Y72 F79 I80	L40-W64 HydrophobicContact CD1-CB 4.03Å; L40-W64 VanDerWaalsContact CD1-CD1 3.43Å; L40-W64 HydrophobicContact CD1-CD2 4.41Å; L40-W64 HydrophobicContact CD1-CG 3.7Å; L40-W64 HydrophobicContact CG-CB 4.25Å; L40-W64 HydrophobicContact CG-CG 4.4Å; L40-W64 WeakPolarHBondContact O-CB 3.46Å; G42-W64 PolarHBondContact N-O 2.8Å; R43-W64 PolarHBondContact O-N 3.37Å; T45-W64 HydrophobicContact CG2-CD2 4.32Å; T45-W64 HydrophobicContact CG2-CH2 4.11Å; T45-W64 HydrophobicContact CG2-CZ2 3.46Å; T45-W64 VanDerWaalsContact CG2-CZ2 3.46Å; I62-W64 HydrophobicContact CD1-CE3 3.93Å; I62-W64 HydrophobicContact CD1-CH2 4.41Å; I62-W64 HydrophobicContact CD1-CZ3 3.83Å; W64-S68 WeakPolarHBondContact CA-OG 3.14Å; W64-L69 HydrophobicContact CD2-CD2 4.11Å; W64-L69 HydrophobicContact CE3-CD2 3.59Å; W64-L69 HydrophobicContact CE3-CG 3.91Å; W64-L69 HydrophobicContact CZ3-CD2 3.95Å; W64-Y72 AromaticContact CH2-CD1 3.72Å; W64-Y72 HydrophobicContact CH2-CD1 3.72Å; W64-Y72 AromaticContact CH2-CD2 3.85Å; W64-Y72 HydrophobicContact CH2-CD2 3.85Å; W64-Y72 HydrophobicContact CH2-CE1 4.13Å; W64-Y72 HydrophobicContact CH2-CE2 4.22Å; W64-Y72 AromaticContact CH2-CG 3.57Å; W64-Y72 HydrophobicContact CH2-CG 3.57Å; W64-Y72 AromaticContact CZ3-CD1 3.98Å; W64-Y72 HydrophobicContact CZ3-CD1 3.98Å; W64-Y72 HydrophobicContact CZ3-CD2 4.43Å; W64-Y72 AromaticContact CZ3-CG 3.79Å; W64-Y72 HydrophobicContact CZ3-CG 3.79Å; W64-F79 HydrophobicContact CZ3-CE1 4.49Å; W64-I80 HydrophobicContact CH2-CD1 4.18Å; W64-I80 HydrophobicContact CZ2-CD1 4.35Å
65	N	98.3	Very high	98.3	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.273	S	S	.	.			trans	-141.7	-178.9	169.6	62	37.7	0	0	0	107.6	I63 Q67 S68 L69	I63-N65 PolarHBondContact O-N 2.95Å; N65-Q67 VanDerWaalsContact C-N 3.32Å; N65-Q67 PolarHBondContact O-N 3.37Å; N65-Q67 PolarHBondContact OD1-N 2.64Å; N65-Q67 VanDerWaalsContact OD1-N 3.11Å; N65-S68 PolarHBondContact N-OG 2.86Å; N65-S68 PolarHBondContact O-N 3.29Å; N65-S68 PolarHBondContact O-OG 3.44Å; N65-S68 PolarHBondContact OD1-N 3.3Å; N65-S68 PolarHBondContact OD1-OG 2.83Å; N65-L69 WeakPolarHBondContact O-CB 3.13Å; N65-L69 WeakPolarHBondContact O-CG 3.43Å; N65-L69 PolarHBondContact O-N 3.38Å
66	E	98.4	Very high	98.3	Very high	47 Å²	47	45.1 Å²	45.1	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-44.9	-176.9	-60.4	89.8	149.5	0	0	111.7	F3 F41 F70 I100 K104	F3-E66 HydrophobicContact CB-CB 3.99Å; F3-E66 HydrophobicContact CD1-CB 3.43Å; F3-E66 VanDerWaalsContact CD1-CB 3.43Å; F3-E66 HydrophobicContact CD1-CG 3.86Å; F3-E66 HydrophobicContact CD2-CB 4.02Å; F3-E66 HydrophobicContact CE1-CB 3.84Å; F3-E66 HydrophobicContact CE1-CG 3.7Å; F3-E66 HydrophobicContact CE2-CB 4.37Å; F3-E66 HydrophobicContact CE2-CG 4.44Å; F3-E66 HydrophobicContact CG-CB 3.52Å; F3-E66 HydrophobicContact CG-CG 4.29Å; F3-E66 HydrophobicContact CZ-CB 4.28Å; F3-E66 HydrophobicContact CZ-CG 4Å; F41-E66 HydrophobicContact CE1-CG 4.11Å; E66-F70 VanDerWaalsContact O-CB 3.28Å; E66-F70 WeakPolarHBondContact O-CB 3.41Å; E66-F70 PolarHBondContact O-N 3.25Å; E66-I100 HydrophobicContact CB-CG2 4.01Å; E66-I100 HydrophobicContact CG-CG2 4.06Å; E66-K104 HydrophobicContact CG-CD 4.29Å; E66-K104 WeakPolarHBondContact OE1-CD 3.13Å; E66-K104 WeakPolarHBondContact OE1-CE 3.08Å; E66-K104 IonicContact OE1-NZ 2.64Å; E66-K104 PolarHBondContact OE1-NZ 3.37Å
67	Q	98	Very high	98.3	Very high	75 Å²	75	50 Å²	50	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-68.2	-44.4	-178.5	-175	57.3	33.9	0	0	111.9	G2 F3 N65 L69 F70 E71	G2-Q67 VanDerWaalsContact CA-OE1 3.28Å; F3-Q67 VanDerWaalsContact N-OE1 3.12Å; N65-Q67 VanDerWaalsContact C-N 3.32Å; N65-Q67 PolarHBondContact O-N 3.37Å; N65-Q67 PolarHBondContact OD1-N 2.64Å; N65-Q67 VanDerWaalsContact OD1-N 3.11Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.16Å; Q67-F70 WeakPolarHBondContact O-CB 3.41Å; Q67-F70 PolarHBondContact O-N 3.08Å; Q67-E71 PolarHBondContact NE2-OE1 2.97Å; Q67-E71 PolarHBondContact O-N 3.06Å
68	S	98.2	Very high	98.3	Very high	13 Å²	13	57 Å²	57	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-32.2	-179.7	68.7	0	0	0	0	112.4	I62 I63 W64 N65 Y72	I62-S68 VanDerWaalsContact CD1-CB 3.48Å; I63-S68 PolarHBondContact O-OG 3.01Å; W64-S68 WeakPolarHBondContact CA-OG 3.14Å; N65-S68 PolarHBondContact N-OG 2.86Å; N65-S68 PolarHBondContact O-N 3.29Å; N65-S68 PolarHBondContact O-OG 3.44Å; N65-S68 PolarHBondContact OD1-N 3.3Å; N65-S68 PolarHBondContact OD1-OG 2.83Å; S68-Y72 WeakPolarHBondContact O-CB 3.43Å; S68-Y72 PolarHBondContact O-N 2.85Å
69	L	98.7	Very high	98.3	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-39.1	169.5	-74.6	169.7	0	0	0	111.9	L40 F41 W64 N65 Q67 E71 Y72 L73 I100	L40-L69 HydrophobicContact CD2-CD1 4Å; L40-L69 HydrophobicContact CD2-CD2 4.21Å; F41-L69 HydrophobicContact CD1-CD1 4.31Å; F41-L69 HydrophobicContact CE1-CD1 3.58Å; F41-L69 HydrophobicContact CE2-CD1 4.1Å; F41-L69 HydrophobicContact CZ-CD1 3.45Å; F41-L69 VanDerWaalsContact CZ-CD1 3.45Å; W64-L69 HydrophobicContact CD2-CD2 4.11Å; W64-L69 HydrophobicContact CE3-CD2 3.59Å; W64-L69 HydrophobicContact CE3-CG 3.91Å; W64-L69 HydrophobicContact CZ3-CD2 3.95Å; N65-L69 WeakPolarHBondContact O-CB 3.13Å; N65-L69 WeakPolarHBondContact O-CG 3.43Å; N65-L69 PolarHBondContact O-N 3.38Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.16Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 3.48Å; L69-Y72 HydrophobicContact CD2-CD1 4.47Å; L69-Y72 PolarHBondContact O-N 3.18Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.25Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.7Å; L69-I100 HydrophobicContact CB-CD1 3.96Å; L69-I100 HydrophobicContact CB-CG1 4.03Å
70	F	98.6	Very high	98.3	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-45.2	177.5	-170.9	-90.2	0	0	0	111	M1 F3 E66 Q67 D93 R96 N97 I100	M1-F70 WeakPolarHBondContact O-CE1 3.27Å; F3-F70 HydrophobicContact CB-CB 4.25Å; F3-F70 HydrophobicContact CB-CD2 4.32Å; F3-F70 HydrophobicContact CB-CG 4.43Å; E66-F70 VanDerWaalsContact O-CB 3.28Å; E66-F70 WeakPolarHBondContact O-CB 3.41Å; E66-F70 PolarHBondContact O-N 3.25Å; Q67-F70 WeakPolarHBondContact O-CB 3.41Å; Q67-F70 PolarHBondContact O-N 3.08Å; F70-D93 HydrophobicContact CE2-CB 4.33Å; F70-D93 HydrophobicContact CZ-CB 3.88Å; F70-R96 HydrophobicContact CD2-CB 3.7Å; F70-R96 VanDerWaalsContact CE1-CZ 3.49Å; F70-R96 HydrophobicContact CE2-CB 3.68Å; F70-R96 WeakPolarHBondContact O-CD 3.35Å; F70-R96 PolarHBondContact O-NH1 2.82Å; F70-N97 WeakPolarHBondContact CD2-OD1 3.25Å; F70-N97 WeakPolarHBondContact CE2-OD1 3.3Å; F70-I100 VanDerWaalsContact CA-CD1 3.41Å; F70-I100 HydrophobicContact CB-CD1 3.74Å; F70-I100 HydrophobicContact CD2-CD1 4.09Å; F70-I100 HydrophobicContact CG-CD1 4.41Å; F70-I100 VanDerWaalsContact N-CD1 3.32Å
71	E	98.3	Very high	98.3	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-68.6	-45.8	175.2	-69	172.2	-153.2	0	0	112.5	Q67 L69 L73 E74 F79	Q67-E71 PolarHBondContact NE2-OE1 2.97Å; Q67-E71 PolarHBondContact O-N 3.06Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 3.48Å; E71-L73 PolarHBondContact O-N 3.37Å; E71-E74 PolarHBondContact O-N 3.48Å; E71-F79 HydrophobicContact CB-CD2 3.96Å; E71-F79 HydrophobicContact CB-CE2 3.66Å
72	Y	98.6	Very high	98.3	Very high	17 Å²	17	51.9 Å²	51.9	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-44.3	-179.1	172.6	-113.6	0	0	0	112.9	W64 S68 L69 E74 N75 P76 F79 I80 M85	W64-Y72 AromaticContact CH2-CD1 3.72Å; W64-Y72 HydrophobicContact CH2-CD1 3.72Å; W64-Y72 AromaticContact CH2-CD2 3.85Å; W64-Y72 HydrophobicContact CH2-CD2 3.85Å; W64-Y72 HydrophobicContact CH2-CE1 4.13Å; W64-Y72 HydrophobicContact CH2-CE2 4.22Å; W64-Y72 AromaticContact CH2-CG 3.57Å; W64-Y72 HydrophobicContact CH2-CG 3.57Å; W64-Y72 AromaticContact CZ3-CD1 3.98Å; W64-Y72 HydrophobicContact CZ3-CD1 3.98Å; W64-Y72 HydrophobicContact CZ3-CD2 4.43Å; W64-Y72 AromaticContact CZ3-CG 3.79Å; W64-Y72 HydrophobicContact CZ3-CG 3.79Å; S68-Y72 WeakPolarHBondContact O-CB 3.43Å; S68-Y72 PolarHBondContact O-N 2.85Å; L69-Y72 HydrophobicContact CD2-CD1 4.47Å; L69-Y72 PolarHBondContact O-N 3.18Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.02Å; Y72-N75 CarbonylContact O-C 3.55Å; Y72-N75 VanDerWaalsContact O-C 3.29Å; Y72-N75 PolarHBondContact O-N 2.93Å; Y72-P76 HydrophobicContact CD2-CB 4.2Å; Y72-P76 HydrophobicContact CE2-CB 3.54Å; Y72-P76 HydrophobicContact CE2-CG 4.27Å; Y72-P76 WeakPolarHBondContact O-CA 3.4Å; Y72-P76 WeakPolarHBondContact O-CD 3.48Å; Y72-P76 VanDerWaalsContact O-N 3.09Å; Y72-F79 HydrophobicContact CD2-CB 4.01Å; Y72-F79 AromaticContact CD2-CD1 3.7Å; Y72-F79 HydrophobicContact CD2-CD1 3.7Å; Y72-F79 HydrophobicContact CD2-CG 4.14Å; Y72-F79 HydrophobicContact CG-CD1 4.27Å; Y72-I80 HydrophobicContact CD2-CD1 4.25Å; Y72-I80 HydrophobicContact CD2-CG1 4.17Å; Y72-I80 HydrophobicContact CE2-CD1 3.92Å; Y72-I80 HydrophobicContact CE2-CG1 4.02Å; Y72-M85 HydrophobicContact CE1-SD 4.18Å; Y72-M85 PolarHBondContact OH-SD 2.95Å
73	L	98.5	Very high	98.3	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-72.2	-16.5	-172.5	-71.1	175.5	0	0	0	113.5	L69 E71 G89 L90 R96 I99 I100	L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.25Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.7Å; E71-L73 PolarHBondContact O-N 3.37Å; L73-G89 CarbonylContact O-C 3.53Å; L73-G89 WeakPolarHBondContact O-CA 3.4Å; L73-L90 PolarHBondContact O-N 3.31Å; L73-R96 HydrophobicContact CB-CG 4.34Å; L73-I99 HydrophobicContact CD1-CG2 3.8Å; L73-I100 HydrophobicContact CD1-CD1 4.19Å; L73-I100 HydrophobicContact CD1-CG1 3.83Å
74	E	98.5	Very high	98.2	Very high	74 Å²	74	51 Å²	51	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-72.2	-36.2	173.1	164.7	-174.8	-88	0	0	113	E71 Y72 G89 L90 K91 R96	E71-E74 PolarHBondContact O-N 3.48Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.02Å; E74-G89 WeakPolarHBondContact O-CA 3.43Å; E74-L90 WeakPolarHBondContact CA-O 3.36Å; E74-K91 HydrophobicContact CG-CD 4.47Å; E74-K91 PolarHBondContact O-NZ 3.3Å; E74-R96 IonicContact OE1-CZ 3.56Å; E74-R96 IonicContact OE1-NH1 3.77Å; E74-R96 PolarHBondContact OE1-NH1 3.05Å; E74-R96 IonicContact OE1-NH2 2.7Å; E74-R96 PolarHBondContact OE1-NH2 3.2Å
75	N	98.4	Very high	98.2	Very high	52 Å²	52	52.1 Å²	52.1	28%	0.278	27%	0.267	S	S	.	.			trans	-159.1	88.6	176.3	-168.7	-24.3	0	0	0	111.4	Y72 K77 K78 F79	Y72-N75 CarbonylContact O-C 3.55Å; Y72-N75 VanDerWaalsContact O-C 3.29Å; Y72-N75 PolarHBondContact O-N 2.93Å; N75-K77 VanDerWaalsContact C-N 3.29Å; N75-K77 PolarHBondContact O-N 3.25Å; N75-K77 PolarHBondContact OD1-N 3.1Å; N75-K78 HydrophobicContact CB-CB 3.85Å; N75-K78 VanDerWaalsContact CG-CB 3.43Å; N75-K78 PolarHBondContact O-N 2.82Å; N75-K78 VanDerWaalsContact O-N 3.08Å; N75-K78 PolarHBondContact OD1-N 3.4Å; N75-K78 VanDerWaalsContact OD1-N 3.11Å; N75-F79 PolarHBondContact O-N 2.96Å
76	P	98.5	Very high	98.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.9	-39.7	-177.3	-31.1	36.4	0	0	0	114.3	Y72 F79 I80 T83 M85 F87	Y72-P76 HydrophobicContact CD2-CB 4.2Å; Y72-P76 HydrophobicContact CE2-CB 3.54Å; Y72-P76 HydrophobicContact CE2-CG 4.27Å; Y72-P76 WeakPolarHBondContact O-CA 3.4Å; Y72-P76 WeakPolarHBondContact O-CD 3.48Å; Y72-P76 VanDerWaalsContact O-N 3.09Å; P76-F79 PolarHBondContact O-N 3.42Å; P76-I80 PolarHBondContact O-N 2.93Å; P76-T83 HydrophobicContact CB-CG2 4.47Å; P76-M85 HydrophobicContact CG-CE 4.49Å; P76-F87 HydrophobicContact CG-CB 4.36Å; P76-F87 HydrophobicContact CG-CD1 3.83Å
77	K	98	Very high	98.1	Very high	125 Å²	125	54.7 Å²	54.7	54%	0.543	29%	0.285	S	S	.	.	H	α-helix	trans	-69.2	-34.4	-179.9	-73	-173	176.3	-176.7	0	112.4	N75 I80 P81 T83	N75-K77 VanDerWaalsContact C-N 3.29Å; N75-K77 PolarHBondContact O-N 3.25Å; N75-K77 PolarHBondContact OD1-N 3.1Å; K77-I80 CarbonylContact O-C 3.59Å; K77-P81 VanDerWaalsContact O-CA 3.31Å; K77-P81 WeakPolarHBondContact O-CA 3.38Å; K77-T83 HydrophobicContact CG-CG2 4.15Å
78	K	98.1	Very high	98.1	Very high	159 Å²	159	55.1 Å²	55.1	69%	0.691	30%	0.302	S	S	*	.	H	α-helix	trans	-71.6	-40.9	174.3	-175.3	179.2	177.8	-175.3	0	111.1	N75	N75-K78 HydrophobicContact CB-CB 3.85Å; N75-K78 VanDerWaalsContact CG-CB 3.43Å; N75-K78 PolarHBondContact O-N 2.82Å; N75-K78 VanDerWaalsContact O-N 3.08Å; N75-K78 PolarHBondContact OD1-N 3.4Å; N75-K78 VanDerWaalsContact OD1-N 3.11Å
79	F	98.1	Very high	98.1	Very high	34 Å²	34	55.2 Å²	55.2	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-74.1	-39.3	-177.3	-167.9	-92.3	0	0	0	113	K60 I62 W64 E71 Y72 N75 P76	K60-F79 VanDerWaalsContact CE-CE1 3.46Å; K60-F79 WeakPolarHBondContact CE-O 3.07Å; K60-F79 PolarHBondContact NZ-O 2.77Å; I62-F79 HydrophobicContact CD1-CE1 3.67Å; I62-F79 HydrophobicContact CD1-CZ 3.86Å; I62-F79 HydrophobicContact CG1-CE1 4.42Å; W64-F79 HydrophobicContact CZ3-CE1 4.49Å; E71-F79 HydrophobicContact CB-CD2 3.96Å; E71-F79 HydrophobicContact CB-CE2 3.66Å; Y72-F79 HydrophobicContact CD2-CB 4.01Å; Y72-F79 AromaticContact CD2-CD1 3.7Å; Y72-F79 HydrophobicContact CD2-CD1 3.7Å; Y72-F79 HydrophobicContact CD2-CG 4.14Å; Y72-F79 HydrophobicContact CG-CD1 4.27Å; N75-F79 PolarHBondContact O-N 2.96Å; P76-F79 PolarHBondContact O-N 3.42Å
80	I	98.4	Very high	98.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	31%	0.305	C	S	.	.	S	Bend	trans	-125.1	84.4	173.3	-48.2	-170.8	0	0	0	109.2	T45 A56 K60 W64 Y72 P76 K77 G82 T83	T45-I80 HydrophobicContact CG2-CD1 4.48Å; A56-I80 HydrophobicContact CB-CG2 4.03Å; A56-I80 WeakPolarHBondContact O-CG2 3.42Å; K60-I80 HydrophobicContact CB-CD1 4.19Å; K60-I80 HydrophobicContact CB-CG1 4.37Å; K60-I80 HydrophobicContact CB-CG2 4.4Å; K60-I80 HydrophobicContact CD-CG1 4.28Å; K60-I80 HydrophobicContact CG-CD1 4.05Å; K60-I80 HydrophobicContact CG-CG1 3.99Å; W64-I80 HydrophobicContact CH2-CD1 4.18Å; W64-I80 HydrophobicContact CZ2-CD1 4.35Å; Y72-I80 HydrophobicContact CD2-CD1 4.25Å; Y72-I80 HydrophobicContact CD2-CG1 4.17Å; Y72-I80 HydrophobicContact CE2-CD1 3.92Å; Y72-I80 HydrophobicContact CE2-CG1 4.02Å; P76-I80 PolarHBondContact O-N 2.93Å; K77-I80 CarbonylContact O-C 3.59Å; I80-G82 PolarHBondContact O-N 2.85Å; I80-T83 WeakPolarHBondContact O-CB 3.1Å; I80-T83 VanDerWaalsContact O-CG2 3.29Å; I80-T83 WeakPolarHBondContact O-CG2 3.28Å; I80-T83 PolarHBondContact O-N 3.2Å
81	P	98.2	Very high	98	Very high	94 Å²	94	61.3 Å²	61.3	61%	0.61	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	126.6	173.4	-24.6	35.5	0	0	0	110.7	A56 K77	A56-P81 WeakPolarHBondContact CB-O 3.26Å; K77-P81 VanDerWaalsContact O-CA 3.31Å; K77-P81 WeakPolarHBondContact O-CA 3.38Å
82	G	97.3	Very high	98	Very high	58 Å²	58	63.3 Å²	63.3	60%	0.598	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	8	-174.3	0	0	0	0	0	115	T54 I80	T54-G82 PolarHBondContact OG1-O 3.36Å; I80-G82 PolarHBondContact O-N 2.85Å
83	T	97.9	Very high	98	Very high	16 Å²	16	65 Å²	65	10%	0.098	35%	0.349	C	S	.	.			trans	-64.1	141.5	165.7	-171.4	0	0	0	0	111.3	P76 K77 I80 M85	P76-T83 HydrophobicContact CB-CG2 4.47Å; K77-T83 HydrophobicContact CG-CG2 4.15Å; I80-T83 WeakPolarHBondContact O-CB 3.1Å; I80-T83 VanDerWaalsContact O-CG2 3.29Å; I80-T83 WeakPolarHBondContact O-CG2 3.28Å; I80-T83 PolarHBondContact O-N 3.2Å; T83-M85 VanDerWaalsContact C-N 3.31Å; T83-M85 HydrophobicContact CG2-CB 4.45Å; T83-M85 PolarHBondContact OG1-N 3.16Å
84	K	96.7	Very high	98	Very high	109 Å²	109	68.6 Å²	68.6	47%	0.474	37%	0.371	S	S	.	.			trans	-86.3	0.2	172.3	69.1	-178.9	175.4	176.4	0	113.6	Y51 T52 T54 V86	Y51-K84 WeakPolarHBondContact OH-CE 3.36Å; Y51-K84 PolarHBondContact OH-NZ 3.49Å; T52-K84 PolarHBondContact O-NZ 3.49Å; T54-K84 HydrophobicContact CG2-CB 3.74Å; T54-K84 HydrophobicContact CG2-CD 3.81Å; T54-K84 HydrophobicContact CG2-CG 3.68Å; K84-V86 PolarHBondContact O-N 3.33Å; K84-V86 VanDerWaalsContact O-N 3.16Å
85	M	98	Very high	98	Very high	40 Å²	40	66.9 Å²	66.9	20%	0.197	37%	0.365	C	S	.	.			trans	-69.9	110.3	177.4	179.8	167.3	168.9	0	0	110.3	Y72 P76 T83 F87	Y72-M85 HydrophobicContact CE1-SD 4.18Å; Y72-M85 PolarHBondContact OH-SD 2.95Å; P76-M85 HydrophobicContact CG-CE 4.49Å; T83-M85 VanDerWaalsContact C-N 3.31Å; T83-M85 HydrophobicContact CG2-CB 4.45Å; T83-M85 PolarHBondContact OG1-N 3.16Å; M85-F87 VanDerWaalsContact C-N 3.34Å; M85-F87 HydrophobicContact CE-CB 3.51Å; M85-F87 HydrophobicContact CE-CD1 3.61Å; M85-F87 HydrophobicContact CE-CG 3.74Å; M85-F87 HydrophobicContact CG-CB 3.92Å; M85-F87 PolarHBondContact O-N 2.58Å; M85-F87 VanDerWaalsContact O-N 3.08Å; M85-F87 HydrophobicContact SD-CB 4.49Å
86	V	97.4	Very high	98	Very high	132 Å²	132	64.8 Å²	64.8	80%	0.8	35%	0.353	S	S	*	.			trans	-83.3	81.6	175.4	-172.8	0	0	0	0	109	K84	K84-V86 PolarHBondContact O-N 3.33Å; K84-V86 VanDerWaalsContact O-N 3.16Å
87	F	98.2	Very high	98	Very high	33 Å²	33	65.5 Å²	65.5	15%	0.145	36%	0.357	C	S	.	.			trans	-143.1	129.3	176.4	-175.4	-123.9	0	0	0	110.1	R18 P76 M85 G89 L90	R18-F87 HydrophobicContact CB-CE2 4.14Å; R18-F87 HydrophobicContact CB-CZ 4.39Å; P76-F87 HydrophobicContact CG-CB 4.36Å; P76-F87 HydrophobicContact CG-CD1 3.83Å; M85-F87 VanDerWaalsContact C-N 3.34Å; M85-F87 HydrophobicContact CE-CB 3.51Å; M85-F87 HydrophobicContact CE-CD1 3.61Å; M85-F87 HydrophobicContact CE-CG 3.74Å; M85-F87 HydrophobicContact CG-CB 3.92Å; M85-F87 PolarHBondContact O-N 2.58Å; M85-F87 VanDerWaalsContact O-N 3.08Å; M85-F87 HydrophobicContact SD-CB 4.49Å; F87-G89 PolarHBondContact O-N 3.3Å; F87-L90 HydrophobicContact CE1-CG 4.08Å; F87-L90 HydrophobicContact CZ-CD2 3.76Å; F87-L90 HydrophobicContact CZ-CG 3.76Å
88	A	97.4	Very high	98	Very high	85 Å²	85	60.4 Å²	60.4	70%	0.702	34%	0.335	S	S	*	.			trans	-73	-19.3	-178.4	0	0	0	0	0	113.3
89	G	98.2	Very high	98	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	30%	0.302	C	S	.	.			trans	97.7	171	-175.2	0	0	0	0	0	113.8	L73 E74 F87	L73-G89 CarbonylContact O-C 3.53Å; L73-G89 WeakPolarHBondContact O-CA 3.4Å; E74-G89 WeakPolarHBondContact O-CA 3.43Å; F87-G89 PolarHBondContact O-N 3.3Å
90	L	98.3	Very high	98.1	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	30%	0.295	C	S	.	.			trans	-109.2	108.7	176.2	-61.3	175.3	0	0	0	108.4	R18 L73 E74 F87 D95 R96 I99	R18-L90 HydrophobicContact CG-CD2 4.43Å; L73-L90 PolarHBondContact O-N 3.31Å; E74-L90 WeakPolarHBondContact CA-O 3.36Å; F87-L90 HydrophobicContact CE1-CG 4.08Å; F87-L90 HydrophobicContact CZ-CD2 3.76Å; F87-L90 HydrophobicContact CZ-CG 3.76Å; L90-D95 HydrophobicContact CB-CB 4.41Å; L90-R96 HydrophobicContact CB-CG 3.74Å; L90-R96 WeakPolarHBondContact O-CD 3.45Å; L90-R96 WeakPolarHBondContact O-CG 3.46Å; L90-I99 HydrophobicContact CD1-CB 4.47Å; L90-I99 HydrophobicContact CD1-CD1 4.28Å; L90-I99 HydrophobicContact CD1-CG2 3.72Å
91	K	97.5	Very high	98.1	Very high	131 Å²	131	51.7 Å²	51.7	57%	0.57	30%	0.299	S	S	*	.			trans	-78.5	-25.8	-174.6	-59.5	-54.2	-179.5	-165.8	0	113.9	E74	E74-K91 HydrophobicContact CG-CD 4.47Å; E74-K91 PolarHBondContact O-NZ 3.3Å
92	K	97.7	Very high	98.1	Very high	136 Å²	136	48.5 Å²	48.5	59%	0.591	28%	0.275	S	S	*	.			trans	-82.8	128.3	179.9	-62.6	-178.7	-178.9	179.2	0	109.2	T94 D95 R96	K92-T94 PolarHBondContact O-N 3.01Å; K92-D95 HydrophobicContact CB-CB 4.14Å; K92-D95 PolarHBondContact O-N 2.98Å; K92-R96 PolarHBondContact O-N 3.37Å
93	D	98.1	Very high	98.2	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-38.8	176.1	-71.1	9.6	0	0	0	111.2	F70 D95 R96 N97	F70-D93 HydrophobicContact CE2-CB 4.33Å; F70-D93 HydrophobicContact CZ-CB 3.88Å; D93-D95 PolarHBondContact O-N 3.14Å; D93-R96 PolarHBondContact O-N 2.69Å; D93-R96 IonicContact OD1-CZ 3.45Å; D93-R96 IonicContact OD1-NE 3.43Å; D93-R96 IonicContact OD1-NH2 2.83Å; D93-R96 PolarHBondContact OD1-NH2 3.48Å; D93-N97 WeakPolarHBondContact O-CB 3.43Å; D93-N97 PolarHBondContact O-N 3.42Å; D93-N97 PolarHBondContact O-ND2 3.16Å
94	T	98.2	Very high	98.2	Very high	85 Å²	85	49.4 Å²	49.4	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-46.6	175.3	54.2	0	0	0	0	112.2	K92 R96 N97 D98	K92-T94 PolarHBondContact O-N 3.01Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.34Å; T94-N97 PolarHBondContact O-N 3.06Å; T94-D98 WeakPolarHBondContact O-CB 3.19Å; T94-D98 PolarHBondContact O-N 2.87Å
95	D	98.5	Very high	98.3	Very high	39 Å²	39	49.3 Å²	49.3	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-36.4	-179.3	-64.8	6	0	0	0	111	L14 L90 K92 D93 I99	L14-D95 HydrophobicContact CD1-CB 3.8Å; L14-D95 WeakPolarHBondContact CD1-O 3.26Å; L90-D95 HydrophobicContact CB-CB 4.41Å; K92-D95 HydrophobicContact CB-CB 4.14Å; K92-D95 PolarHBondContact O-N 2.98Å; D93-D95 PolarHBondContact O-N 3.14Å; D95-I99 WeakPolarHBondContact O-CB 3.47Å; D95-I99 VanDerWaalsContact O-CG2 3.32Å; D95-I99 WeakPolarHBondContact O-CG2 3.36Å; D95-I99 PolarHBondContact O-N 2.78Å
96	R	98.7	Very high	98.3	Very high	8 Å²	8	48.6 Å²	48.6	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-46.6	174.8	-71.2	-170	-76.6	-177	-16.6	111.6	F70 L73 E74 L90 K92 D93 T94 I99 I100	F70-R96 HydrophobicContact CD2-CB 3.7Å; F70-R96 VanDerWaalsContact CE1-CZ 3.49Å; F70-R96 HydrophobicContact CE2-CB 3.68Å; F70-R96 WeakPolarHBondContact O-CD 3.35Å; F70-R96 PolarHBondContact O-NH1 2.82Å; L73-R96 HydrophobicContact CB-CG 4.34Å; E74-R96 IonicContact OE1-CZ 3.56Å; E74-R96 IonicContact OE1-NH1 3.77Å; E74-R96 PolarHBondContact OE1-NH1 3.05Å; E74-R96 IonicContact OE1-NH2 2.7Å; E74-R96 PolarHBondContact OE1-NH2 3.2Å; L90-R96 HydrophobicContact CB-CG 3.74Å; L90-R96 WeakPolarHBondContact O-CD 3.45Å; L90-R96 WeakPolarHBondContact O-CG 3.46Å; K92-R96 PolarHBondContact O-N 3.37Å; D93-R96 PolarHBondContact O-N 2.69Å; D93-R96 IonicContact OD1-CZ 3.45Å; D93-R96 IonicContact OD1-NE 3.43Å; D93-R96 IonicContact OD1-NH2 2.83Å; D93-R96 PolarHBondContact OD1-NH2 3.48Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.34Å; R96-I99 WeakPolarHBondContact O-CG2 3.04Å; R96-I100 HydrophobicContact CB-CD1 4.48Å; R96-I100 VanDerWaalsContact O-CB 3.28Å; R96-I100 WeakPolarHBondContact O-CB 3.19Å; R96-I100 VanDerWaalsContact O-CD1 3.26Å; R96-I100 WeakPolarHBondContact O-CD1 3.35Å; R96-I100 WeakPolarHBondContact O-CG1 3.34Å; R96-I100 PolarHBondContact O-N 3.42Å
97	N	98.8	Very high	98.3	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-49.9	177	-75.5	-24	0	0	0	111.3	S4 F70 D93 T94 I99 I100 S101	S4-N97 PolarHBondContact N-OD1 2.77Å; S4-N97 VanDerWaalsContact O-CB 3.25Å; S4-N97 WeakPolarHBondContact O-CB 3.47Å; S4-N97 PolarHBondContact O-OD1 3.4Å; S4-N97 PolarHBondContact OG-ND2 2.75Å; F70-N97 WeakPolarHBondContact CD2-OD1 3.25Å; F70-N97 WeakPolarHBondContact CE2-OD1 3.3Å; D93-N97 WeakPolarHBondContact O-CB 3.43Å; D93-N97 PolarHBondContact O-N 3.42Å; D93-N97 PolarHBondContact O-ND2 3.16Å; T94-N97 PolarHBondContact O-N 3.06Å; N97-I99 PolarHBondContact O-N 3.4Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-S101 WeakPolarHBondContact O-CB 3.44Å; N97-S101 PolarHBondContact O-N 2.83Å; N97-S101 PolarHBondContact O-OG 2.82Å
98	D	98.8	Very high	98.1	Very high	18 Å²	18	49.9 Å²	49.9	10%	0.096	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-51.5	179.6	-69.2	-6.4	0	0	0	111.2	G6 D7 K10 G11 L14 T94 I100 S101 Y102	G6-D98 WeakPolarHBondContact CA-OD1 3.17Å; D7-D98 PolarHBondContact N-OD1 2.62Å; D7-D98 WeakPolarHBondContact O-CB 3.46Å; K10-D98 HydrophobicContact CB-CB 4.22Å; K10-D98 WeakPolarHBondContact CB-OD2 3.45Å; G11-D98 VanDerWaalsContact CA-C 3.4Å; G11-D98 VanDerWaalsContact CA-O 3.24Å; G11-D98 WeakPolarHBondContact CA-O 3.48Å; L14-D98 HydrophobicContact CD1-CB 4.15Å; T94-D98 WeakPolarHBondContact O-CB 3.19Å; T94-D98 PolarHBondContact O-N 2.87Å; D98-I100 PolarHBondContact O-N 3.47Å; D98-S101 PolarHBondContact O-N 2.81Å; D98-Y102 PolarHBondContact O-N 3.34Å
99	I	98.8	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-34.5	-178.2	-159.5	171.4	0	0	0	112.6	L14 F15 C19 L73 L90 D95 R96 N97 Y102 L103	L14-I99 HydrophobicContact CB-CB 4.48Å; L14-I99 HydrophobicContact CB-CD1 4.32Å; F15-I99 HydrophobicContact CB-CD1 4.3Å; F15-I99 HydrophobicContact CB-CG1 4.34Å; C19-I99 VanDerWaalsContact SG-CD1 3.54Å; L73-I99 HydrophobicContact CD1-CG2 3.8Å; L90-I99 HydrophobicContact CD1-CB 4.47Å; L90-I99 HydrophobicContact CD1-CD1 4.28Å; L90-I99 HydrophobicContact CD1-CG2 3.72Å; D95-I99 WeakPolarHBondContact O-CB 3.47Å; D95-I99 VanDerWaalsContact O-CG2 3.32Å; D95-I99 WeakPolarHBondContact O-CG2 3.36Å; D95-I99 PolarHBondContact O-N 2.78Å; R96-I99 WeakPolarHBondContact O-CG2 3.04Å; N97-I99 PolarHBondContact O-N 3.4Å; I99-Y102 PolarHBondContact O-N 2.85Å; I99-L103 HydrophobicContact CG1-CD1 4.33Å; I99-L103 HydrophobicContact CG1-CG 4.42Å; I99-L103 WeakPolarHBondContact O-CB 3.38Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.74Å
100	I	98.8	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.3	-42.1	177.8	-69.8	165.1	0	0	0	110.3	F3 F41 E66 L69 F70 L73 R96 N97 D98 Y102 L103 K104	F3-I100 HydrophobicContact CD2-CB 4.08Å; F3-I100 HydrophobicContact CD2-CD1 4.35Å; F3-I100 HydrophobicContact CD2-CG2 3.71Å; F3-I100 HydrophobicContact CE2-CB 3.87Å; F3-I100 HydrophobicContact CE2-CG2 3.5Å; F3-I100 VanDerWaalsContact CE2-CG2 3.5Å; F3-I100 HydrophobicContact CZ-CG2 4.26Å; F41-I100 HydrophobicContact CE1-CG2 4.28Å; F41-I100 HydrophobicContact CZ-CG2 4.3Å; E66-I100 HydrophobicContact CB-CG2 4.01Å; E66-I100 HydrophobicContact CG-CG2 4.06Å; L69-I100 HydrophobicContact CB-CD1 3.96Å; L69-I100 HydrophobicContact CB-CG1 4.03Å; F70-I100 VanDerWaalsContact CA-CD1 3.41Å; F70-I100 HydrophobicContact CB-CD1 3.74Å; F70-I100 HydrophobicContact CD2-CD1 4.09Å; F70-I100 HydrophobicContact CG-CD1 4.41Å; F70-I100 VanDerWaalsContact N-CD1 3.32Å; L73-I100 HydrophobicContact CD1-CD1 4.19Å; L73-I100 HydrophobicContact CD1-CG1 3.83Å; R96-I100 HydrophobicContact CB-CD1 4.48Å; R96-I100 VanDerWaalsContact O-CB 3.28Å; R96-I100 WeakPolarHBondContact O-CB 3.19Å; R96-I100 VanDerWaalsContact O-CD1 3.26Å; R96-I100 WeakPolarHBondContact O-CD1 3.35Å; R96-I100 WeakPolarHBondContact O-CG1 3.34Å; R96-I100 PolarHBondContact O-N 3.42Å; N97-I100 PolarHBondContact O-N 3.43Å; D98-I100 PolarHBondContact O-N 3.47Å; I100-Y102 VanDerWaalsContact C-N 3.33Å; I100-Y102 PolarHBondContact O-N 3Å; I100-L103 PolarHBondContact O-N 2.95Å; I100-K104 WeakPolarHBondContact O-CB 3.32Å; I100-K104 PolarHBondContact O-N 2.66Å
101	S	98.7	Very high	98.2	Very high	11 Å²	11	52.3 Å²	52.3	8%	0.077	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-47.8	172.4	-78.8	0	0	0	0	111.3	G6 N97 D98 K104 E105	G6-S101 PolarHBondContact N-OG 3.37Å; G6-S101 PolarHBondContact O-OG 2.77Å; N97-S101 WeakPolarHBondContact O-CB 3.44Å; N97-S101 PolarHBondContact O-N 2.83Å; N97-S101 PolarHBondContact O-OG 2.82Å; D98-S101 PolarHBondContact O-N 2.81Å; S101-K104 PolarHBondContact O-N 3.29Å; S101-E105 PolarHBondContact O-N 3.4Å
102	Y	98.8	Very high	98.2	Very high	28 Å²	28	47.7 Å²	47.7	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-47.7	175.1	166.3	-103.2	0	0	0	112.6	I8 K12 F15 D98 I99 I100 K104 E105 A106	I8-Y102 HydrophobicContact CG2-CD2 4.34Å; K12-Y102 HydrophobicContact CB-CD2 3.58Å; K12-Y102 HydrophobicContact CB-CE2 3.68Å; K12-Y102 HydrophobicContact CB-CG 4.15Å; K12-Y102 HydrophobicContact CD-CE2 4.22Å; K12-Y102 HydrophobicContact CG-CD2 4.14Å; K12-Y102 HydrophobicContact CG-CE2 3.69Å; F15-Y102 HydrophobicContact CB-CD1 3.67Å; F15-Y102 HydrophobicContact CB-CE1 3.4Å; F15-Y102 VanDerWaalsContact CB-CE1 3.4Å; F15-Y102 AromaticContact CD1-CE1 3.79Å; F15-Y102 HydrophobicContact CD1-CE1 3.79Å; F15-Y102 HydrophobicContact CD2-CD1 4.41Å; F15-Y102 AromaticContact CD2-CE1 3.9Å; F15-Y102 HydrophobicContact CD2-CE1 3.9Å; F15-Y102 HydrophobicContact CG-CD1 4.08Å; F15-Y102 AromaticContact CG-CE1 3.41Å; F15-Y102 HydrophobicContact CG-CE1 3.41Å; F15-Y102 VanDerWaalsContact CG-CE1 3.41Å; D98-Y102 PolarHBondContact O-N 3.34Å; I99-Y102 PolarHBondContact O-N 2.85Å; I100-Y102 VanDerWaalsContact C-N 3.33Å; I100-Y102 PolarHBondContact O-N 3Å; Y102-K104 VanDerWaalsContact C-N 3.28Å; Y102-K104 PolarHBondContact O-N 2.86Å; Y102-E105 PolarHBondContact O-N 3.19Å; Y102-A106 HydrophobicContact CD2-CB 4.17Å; Y102-A106 HydrophobicContact CE1-CB 4.01Å; Y102-A106 HydrophobicContact CE2-CB 3.63Å; Y102-A106 VanDerWaalsContact O-CB 3.28Å; Y102-A106 WeakPolarHBondContact O-CB 3.25Å; Y102-A106 PolarHBondContact O-N 2.97Å
103	L	98.8	Very high	98.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-39.8	-179.6	-74.7	171.7	0	0	0	111.1	F15 V25 L37 F41 I99 I100 E105 A106 T107	F15-L103 HydrophobicContact CD2-CD2 3.8Å; F15-L103 HydrophobicContact CE2-CD2 3.9Å; V25-L103 HydrophobicContact CG1-CD2 4.11Å; L37-L103 HydrophobicContact CD1-CD2 4.05Å; F41-L103 VanDerWaalsContact CE2-C 3.43Å; F41-L103 HydrophobicContact CE2-CB 3.91Å; F41-L103 HydrophobicContact CZ-CB 4.07Å; I99-L103 HydrophobicContact CG1-CD1 4.33Å; I99-L103 HydrophobicContact CG1-CG 4.42Å; I99-L103 WeakPolarHBondContact O-CB 3.38Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.74Å; I100-L103 PolarHBondContact O-N 2.95Å; L103-E105 PolarHBondContact O-N 3.38Å; L103-A106 PolarHBondContact O-N 3.39Å; L103-T107 HydrophobicContact CD2-CG2 4.05Å; L103-T107 VanDerWaalsContact O-CB 3.26Å; L103-T107 WeakPolarHBondContact O-CB 3.44Å; L103-T107 WeakPolarHBondContact O-CG2 3.28Å; L103-T107 PolarHBondContact O-N 3.28Å; L103-T107 PolarHBondContact O-OG1 3.36Å
104	K	98.4	Very high	98.3	Very high	85 Å²	85	41.4 Å²	41.4	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-34.9	179.6	-172.7	177.5	176.8	-179.8	0	112.2	F41 E66 I100 S101 Y102 K108	F41-K104 HydrophobicContact CD1-CG 4.36Å; F41-K104 HydrophobicContact CD2-CB 4.46Å; F41-K104 HydrophobicContact CE1-CB 3.97Å; F41-K104 HydrophobicContact CE1-CG 4.24Å; F41-K104 HydrophobicContact CE2-CB 3.96Å; F41-K104 VanDerWaalsContact CE2-N 3.29Å; F41-K104 HydrophobicContact CZ-CB 3.67Å; F41-K104 HydrophobicContact CZ-CG 4.37Å; E66-K104 HydrophobicContact CG-CD 4.29Å; E66-K104 WeakPolarHBondContact OE1-CD 3.13Å; E66-K104 WeakPolarHBondContact OE1-CE 3.08Å; E66-K104 IonicContact OE1-NZ 2.64Å; E66-K104 PolarHBondContact OE1-NZ 3.37Å; I100-K104 WeakPolarHBondContact O-CB 3.32Å; I100-K104 PolarHBondContact O-N 2.66Å; S101-K104 PolarHBondContact O-N 3.29Å; Y102-K104 VanDerWaalsContact C-N 3.28Å; Y102-K104 PolarHBondContact O-N 2.86Å; K104-K108 WeakPolarHBondContact O-CE 3.49Å; K104-K108 WeakPolarHBondContact O-CG 3.35Å
105	E	98.1	Very high	98.3	Very high	106 Å²	106	38.3 Å²	38.3	50%	0.495	18%	0.183	S	C	.	.	H	α-helix	trans	-79.1	-50	174	-173.7	176.3	-177.3	0	0	112.2	I8 S101 Y102 L103 T107 K108	I8-E105 WeakPolarHBondContact CG2-OE2 3.17Å; S101-E105 PolarHBondContact O-N 3.4Å; Y102-E105 PolarHBondContact O-N 3.19Å; L103-E105 PolarHBondContact O-N 3.38Å; E105-T107 VanDerWaalsContact C-N 3.29Å; E105-T107 PolarHBondContact O-N 2.93Å; E105-K108 WeakPolarHBondContact O-CG 3.5Å
106	A	98.3	Very high	98.3	Very high	25 Å²	25	38.2 Å²	38.2	21%	0.207	18%	0.181	C	C	.	.	H	α-helix	trans	-75.8	-13.4	-169.3	0	0	0	0	0	114.5	V25 Y102 L103	V25-A106 HydrophobicContact CB-CB 4.2Å; V25-A106 WeakPolarHBondContact CB-O 3.35Å; V25-A106 HydrophobicContact CG2-CB 3.97Å; Y102-A106 HydrophobicContact CD2-CB 4.17Å; Y102-A106 HydrophobicContact CE1-CB 4.01Å; Y102-A106 HydrophobicContact CE2-CB 3.63Å; Y102-A106 VanDerWaalsContact O-CB 3.28Å; Y102-A106 WeakPolarHBondContact O-CB 3.25Å; Y102-A106 PolarHBondContact O-N 2.97Å; L103-A106 PolarHBondContact O-N 3.39Å
107	T	98.4	Very high	98.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	17.3	-176.9	65.6	0	0	0	0	114	V25 L37 G39 F41 L103 E105	V25-T107 HydrophobicContact CB-CG2 3.91Å; V25-T107 HydrophobicContact CG1-CG2 3.84Å; L37-T107 HydrophobicContact CB-CG2 3.77Å; L37-T107 WeakPolarHBondContact O-CB 3.33Å; L37-T107 WeakPolarHBondContact O-CG2 3.4Å; G39-T107 WeakPolarHBondContact CA-O 3.4Å; G39-T107 PolarHBondContact N-O 3.28Å; F41-T107 WeakPolarHBondContact CD2-OG1 3.37Å; F41-T107 WeakPolarHBondContact CE2-OG1 3.4Å; L103-T107 HydrophobicContact CD2-CG2 4.05Å; L103-T107 VanDerWaalsContact O-CB 3.26Å; L103-T107 WeakPolarHBondContact O-CB 3.44Å; L103-T107 WeakPolarHBondContact O-CG2 3.28Å; L103-T107 PolarHBondContact O-N 3.28Å; L103-T107 PolarHBondContact O-OG1 3.36Å; E105-T107 VanDerWaalsContact C-N 3.29Å; E105-T107 PolarHBondContact O-N 2.93Å
108	K	94.4	Very high	98.2	Very high	190 Å²	190	43.1 Å²	43.1	83%	0.826	20%	0.204	S	C	*	.			trans	-63.4	0	173.8	-68	174.3	-179.1	168.8	0	112.6	K104 E105	K104-K108 WeakPolarHBondContact O-CE 3.49Å; K104-K108 WeakPolarHBondContact O-CG 3.35Å; E105-K108 WeakPolarHBondContact O-CG 3.5Å

Retrieved 108 of 108 residues in 31.2 ms (Link to these results)

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