G4VBG7_SCHMA Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession G4VBG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	85.3	Confident	237 Å²	237	125.4 Å²	125.4	100%	1.167	61%	0.614	S	S	*	*				0	119.1	0	-76	179.4	-165.6	0	0	108.3	K3	M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.1Å
2	I	60	Low	86.4	Confident	151 Å²	151	117.2 Å²	117.2	77%	0.774	58%	0.581	S	S	*	*			trans	-63.4	112.7	165.7	-61.4	174.8	0	0	0	105.4	T4	I2-T4 PolarHBondContact O-N 3.1Å
3	K	73.9	Confident	87.2	Confident	187 Å²	187	114.8 Å²	114.8	81%	0.813	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61.9	123.3	176.6	-76.8	-178.9	177.3	176.2	0	107.5	M1 S5	M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-S5 PolarHBondContact O-N 3.27Å
4	T	83.5	Confident	88	Confident	121 Å²	121	112.3 Å²	112.3	74%	0.742	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-50.8	129.6	172.9	-50.8	0	0	0	0	108.9	I2 R6	I2-T4 PolarHBondContact O-N 3.1Å; T4-R6 PolarHBondContact O-N 3.21Å
5	S	95.6	Very high	88.7	Confident	28 Å²	28	104.8 Å²	104.8	20%	0.196	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-59.8	135.1	179.6	-176.5	0	0	0	0	110.2	K3 A7 R8 G76	K3-S5 PolarHBondContact O-N 3.27Å; S5-A7 PolarHBondContact O-N 3.3Å; S5-R8 PolarHBondContact O-N 3.42Å; S5-G76 WeakPolarHBondContact CB-O 3.4Å; S5-G76 WeakPolarHBondContact OG-CA 3.16Å
6	R	96.2	Very high	89.3	Confident	256 Å²	256	99.5 Å²	99.5	97%	0.966	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.9	178.7	-65.3	-179.3	179.4	176.2	-1.4	113.2	T4	T4-R6 PolarHBondContact O-N 3.21Å
7	A	96.6	Very high	89.9	Confident	61 Å²	61	98.5 Å²	98.5	50%	0.504	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.6	179.8	0	0	0	0	0	113.2	S5 Q9	S5-A7 PolarHBondContact O-N 3.3Å; A7-Q9 PolarHBondContact O-N 3.4Å
8	R	97.2	Very high	90.4	Very high	66 Å²	66	94.1 Å²	94.1	25%	0.249	48%	0.476	C	S	.	.			trans	-74	115.9	-173.2	-167.7	178.4	-165.9	120.5	-5.3	110.4	S5 F11 E16 R75	S5-R8 PolarHBondContact O-N 3.42Å; R8-F11 HydrophobicContact CG-CB 4.02Å; R8-F11 VanDerWaalsContact CZ-O 3.24Å; R8-F11 PolarHBondContact NE-O 2.99Å; R8-F11 PolarHBondContact NH2-O 3.39Å; R8-E16 IonicContact CZ-OE2 3.16Å; R8-E16 IonicContact NH1-OE1 3.16Å; R8-E16 PolarHBondContact NH1-OE1 3.38Å; R8-E16 VanDerWaalsContact NH1-OE1 3.16Å; R8-E16 IonicContact NH1-OE2 2.7Å; R8-E16 PolarHBondContact NH1-OE2 3.1Å; R8-E16 IonicContact NH2-OE2 3.65Å; R8-E16 PolarHBondContact NH2-OE2 2.95Å; R8-R75 WeakPolarHBondContact CA-O 3.44Å
9	Q	96	Very high	90.8	Very high	158 Å²	158	89.2 Å²	89.2	74%	0.738	45%	0.451	S	S	*	.			trans	-142.6	129.4	176.8	-177	175.2	-2.7	0	0	109.5	A7 F11 R75	A7-Q9 PolarHBondContact O-N 3.4Å; Q9-F11 PolarHBondContact O-N 3.35Å; Q9-F11 VanDerWaalsContact O-N 3.12Å; Q9-R75 PolarHBondContact O-NH2 3Å; Q9-R75 VanDerWaalsContact O-NH2 3.16Å
10	N	95.2	Very high	91.2	Very high	103 Å²	103	85.1 Å²	85.1	55%	0.551	43%	0.43	S	S	*	.	S	Bend	trans	45.3	42.8	-178.3	-164.4	45.1	0	0	0	113.5	R75 N124	N10-R75 PolarHBondContact O-NH2 3.43Å; N10-N124 PolarHBondContact ND2-O 3.32Å; N10-N124 VanDerWaalsContact ND2-O 3.12Å
11	F	97.5	Very high	91.6	Very high	11 Å²	11	86 Å²	86	5%	0.048	43%	0.432	C	S	.	.			trans	-123	96.2	-175.7	-169.7	-122.7	0	0	0	109.1	R8 Q9 C15 E16 I19 R75 L128	R8-F11 HydrophobicContact CG-CB 4.02Å; R8-F11 VanDerWaalsContact CZ-O 3.24Å; R8-F11 PolarHBondContact NE-O 2.99Å; R8-F11 PolarHBondContact NH2-O 3.39Å; Q9-F11 PolarHBondContact O-N 3.35Å; Q9-F11 VanDerWaalsContact O-N 3.12Å; F11-C15 HydrophobicContact CD2-CB 4.31Å; F11-C15 HydrophobicContact CE2-CB 3.94Å; F11-E16 HydrophobicContact CD1-CB 4.45Å; F11-E16 HydrophobicContact CE1-CB 3.68Å; F11-E16 HydrophobicContact CE1-CG 4.24Å; F11-E16 HydrophobicContact CZ-CB 4.03Å; F11-I19 HydrophobicContact CE2-CD1 4.04Å; F11-I19 HydrophobicContact CZ-CD1 3.86Å; F11-R75 HydrophobicContact CB-CB 4.49Å; F11-R75 HydrophobicContact CD1-CB 3.87Å; F11-R75 HydrophobicContact CD2-CB 3.86Å; F11-R75 HydrophobicContact CD2-CG 4.25Å; F11-R75 HydrophobicContact CE1-CB 4Å; F11-R75 HydrophobicContact CE2-CB 3.99Å; F11-R75 HydrophobicContact CE2-CG 4.3Å; F11-R75 HydrophobicContact CG-CB 3.81Å; F11-R75 HydrophobicContact CZ-CB 4.07Å; F11-L128 HydrophobicContact CE2-CD2 4.48Å
12	A	97.9	Very high	94	Very high	27 Å²	27	74.8 Å²	74.8	22%	0.223	38%	0.376	C	S	.	.			trans	-66.4	148.3	-175.1	0	0	0	0	0	111.4	E14 C15 E16 H123	A12-E14 PolarHBondContact O-N 3.37Å; A12-C15 WeakPolarHBondContact O-CB 3.45Å; A12-C15 PolarHBondContact O-N 2.87Å; A12-E16 PolarHBondContact O-N 3.21Å; A12-E16 VanDerWaalsContact O-N 3.07Å; A12-H123 HydrophobicContact CB-CB 4.01Å; A12-H123 WeakPolarHBondContact CB-ND1 3.11Å
13	T	97.6	Very high	95.9	Very high	87 Å²	87	67.8 Å²	67.8	53%	0.534	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-32.7	175.6	-52.9	0	0	0	0	111.7	E16 N17	T13-E16 PolarHBondContact O-N 3.3Å; T13-N17 WeakPolarHBondContact O-CB 3.36Å; T13-N17 PolarHBondContact O-N 2.7Å; T13-N17 PolarHBondContact O-ND2 3.01Å; T13-N17 PolarHBondContact O-OD1 3.13Å
14	E	98.5	Very high	97.1	Very high	79 Å²	79	60.1 Å²	60.1	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-40.7	175.7	-161.2	176.2	174.9	0	0	111.3	A12 N17 A18 V119 K122 H123	A12-E14 PolarHBondContact O-N 3.37Å; E14-N17 PolarHBondContact O-N 2.7Å; E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.43Å; E14-A18 PolarHBondContact O-N 3.12Å; E14-V119 HydrophobicContact CB-CG1 4.23Å; E14-V119 HydrophobicContact CG-CG1 3.86Å; E14-K122 VanDerWaalsContact CD-NZ 3.29Å; E14-K122 IonicContact OE1-NZ 2.71Å; E14-K122 PolarHBondContact OE1-NZ 2.93Å; E14-K122 IonicContact OE2-NZ 3.86Å; E14-K122 PolarHBondContact OE2-NZ 2.9Å; E14-H123 WeakPolarHBondContact CB-NE2 3.46Å; E14-H123 IonicContact OE2-CD2 2.81Å; E14-H123 IonicContact OE2-CE1 2.8Å; E14-H123 IonicContact OE2-NE2 2.94Å; E14-H123 PolarHBondContact OE2-NE2 3.43Å
15	C	98.6	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-45.6	174	-60	0	0	0	0	111.8	F11 A12 N17 A18 I19 L128	F11-C15 HydrophobicContact CD2-CB 4.31Å; F11-C15 HydrophobicContact CE2-CB 3.94Å; A12-C15 WeakPolarHBondContact O-CB 3.45Å; A12-C15 PolarHBondContact O-N 2.87Å; C15-N17 VanDerWaalsContact C-N 3.34Å; C15-N17 PolarHBondContact O-N 3.16Å; C15-A18 PolarHBondContact O-N 3.16Å; C15-I19 WeakPolarHBondContact O-CG1 3.33Å; C15-I19 PolarHBondContact O-N 3.41Å; C15-L128 HydrophobicContact CB-CD2 3.73Å
16	E	98.5	Very high	97.9	Very high	20 Å²	20	55 Å²	55	9%	0.093	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-48.3	175.5	174.8	172.9	-142.8	0	0	111.7	R8 F11 A12 T13 A18 I19 N20 Q72 G77 R78	R8-E16 IonicContact CZ-OE2 3.16Å; R8-E16 IonicContact NH1-OE1 3.16Å; R8-E16 PolarHBondContact NH1-OE1 3.38Å; R8-E16 VanDerWaalsContact NH1-OE1 3.16Å; R8-E16 IonicContact NH1-OE2 2.7Å; R8-E16 PolarHBondContact NH1-OE2 3.1Å; R8-E16 IonicContact NH2-OE2 3.65Å; R8-E16 PolarHBondContact NH2-OE2 2.95Å; F11-E16 HydrophobicContact CD1-CB 4.45Å; F11-E16 HydrophobicContact CE1-CB 3.68Å; F11-E16 HydrophobicContact CE1-CG 4.24Å; F11-E16 HydrophobicContact CZ-CB 4.03Å; A12-E16 PolarHBondContact O-N 3.21Å; A12-E16 VanDerWaalsContact O-N 3.07Å; T13-E16 PolarHBondContact O-N 3.3Å; E16-A18 PolarHBondContact O-N 2.88Å; E16-I19 PolarHBondContact O-N 3.47Å; E16-N20 PolarHBondContact O-N 2.86Å; E16-Q72 PolarHBondContact O-NE2 3.46Å; E16-G77 VanDerWaalsContact OE1-C 3.28Å; E16-G77 WeakPolarHBondContact OE1-CA 3.43Å; E16-R78 PolarHBondContact OE1-N 3.05Å
17	N	98.5	Very high	98	Very high	83 Å²	83	44.9 Å²	44.9	44%	0.444	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-39.4	178.8	-67.6	-9.9	0	0	0	112	T13 E14 C15 I19 N20 K21	T13-N17 WeakPolarHBondContact O-CB 3.36Å; T13-N17 PolarHBondContact O-N 2.7Å; T13-N17 PolarHBondContact O-ND2 3.01Å; T13-N17 PolarHBondContact O-OD1 3.13Å; E14-N17 PolarHBondContact O-N 2.7Å; C15-N17 VanDerWaalsContact C-N 3.34Å; C15-N17 PolarHBondContact O-N 3.16Å; N17-I19 VanDerWaalsContact C-N 3.35Å; N17-N20 PolarHBondContact O-N 3.39Å; N17-K21 PolarHBondContact O-N 2.89Å
18	A	98.7	Very high	98.1	Very high	19 Å²	19	42.9 Å²	42.9	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-38.5	177.6	0	0	0	0	0	111.8	E14 C15 E16 K21 Q22 L116 V119	E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.43Å; E14-A18 PolarHBondContact O-N 3.12Å; C15-A18 PolarHBondContact O-N 3.16Å; E16-A18 PolarHBondContact O-N 2.88Å; A18-K21 WeakPolarHBondContact O-CB 3.08Å; A18-K21 PolarHBondContact O-N 3.45Å; A18-Q22 PolarHBondContact O-N 2.95Å; A18-L116 HydrophobicContact CB-CD1 3.41Å; A18-L116 VanDerWaalsContact CB-CD1 3.41Å; A18-V119 HydrophobicContact CB-CB 4.48Å; A18-V119 HydrophobicContact CB-CG1 4.23Å
19	I	98.8	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-41.9	172.4	-66.1	176.7	0	0	0	110.7	F11 C15 E16 N17 K21 Q22 I23 L68 Y71 Q72 L116 L128	F11-I19 HydrophobicContact CE2-CD1 4.04Å; F11-I19 HydrophobicContact CZ-CD1 3.86Å; C15-I19 WeakPolarHBondContact O-CG1 3.33Å; C15-I19 PolarHBondContact O-N 3.41Å; E16-I19 PolarHBondContact O-N 3.47Å; N17-I19 VanDerWaalsContact C-N 3.35Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 2.84Å; I19-Q22 PolarHBondContact O-N 2.73Å; I19-Q22 VanDerWaalsContact O-N 3.14Å; I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 3.46Å; I19-L68 HydrophobicContact CG2-CB 4.35Å; I19-L68 HydrophobicContact CG2-CD2 4.37Å; I19-Y71 HydrophobicContact CD1-CD1 3.95Å; I19-Y71 HydrophobicContact CD1-CE1 4.28Å; I19-Q72 HydrophobicContact CG2-CB 4.09Å; I19-L116 HydrophobicContact CG1-CD1 3.95Å; I19-L116 HydrophobicContact CG1-CD2 4.4Å; I19-L128 HydrophobicContact CD1-CD1 3.75Å; I19-L128 HydrophobicContact CD1-CD2 4.24Å; I19-L128 HydrophobicContact CG1-CD1 4.28Å
20	N	98.8	Very high	98.3	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-40.2	175.7	-73	-20.5	0	0	0	112	E16 N17 I23 N24 Q72 R78 I79 E80 M82	E16-N20 PolarHBondContact O-N 2.86Å; N17-N20 PolarHBondContact O-N 3.39Å; N20-I23 PolarHBondContact O-N 3.33Å; N20-N24 PolarHBondContact O-N 2.94Å; N20-Q72 PolarHBondContact OD1-NE2 3.48Å; N20-R78 PolarHBondContact ND2-O 3.27Å; N20-R78 PolarHBondContact OD1-O 3.1Å; N20-I79 WeakPolarHBondContact OD1-CA 3.3Å; N20-E80 PolarHBondContact ND2-N 3.22Å; N20-E80 PolarHBondContact OD1-N 2.99Å; N20-M82 WeakPolarHBondContact O-CE 3.45Å
21	K	98.6	Very high	98.4	Very high	105 Å²	105	32.6 Å²	32.6	46%	0.457	17%	0.172	S	C	.	.	H	α-helix	trans	-58.7	-48.9	171.3	-174.6	-170.2	172.1	-161	0	111	N17 A18 I19 I23 N24 V25 E115	N17-K21 PolarHBondContact O-N 2.89Å; A18-K21 WeakPolarHBondContact O-CB 3.08Å; A18-K21 PolarHBondContact O-N 3.45Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 2.84Å; K21-I23 PolarHBondContact O-N 3.06Å; K21-N24 WeakPolarHBondContact O-CB 3.42Å; K21-N24 PolarHBondContact O-N 2.94Å; K21-N24 VanDerWaalsContact O-N 3.16Å; K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 2.86Å; K21-E115 IonicContact NZ-OE2 3.26Å; K21-E115 PolarHBondContact NZ-OE2 3.18Å
22	Q	98.8	Very high	98.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-40.1	-178.5	-168.3	64	28.6	0	0	112.4	A18 I19 N24 V25 E26 L68 S112 L113 L116	A18-Q22 PolarHBondContact O-N 2.95Å; I19-Q22 PolarHBondContact O-N 2.73Å; I19-Q22 VanDerWaalsContact O-N 3.14Å; Q22-N24 PolarHBondContact O-N 2.8Å; Q22-V25 WeakPolarHBondContact O-CA 3.46Å; Q22-V25 WeakPolarHBondContact O-CB 3.41Å; Q22-V25 PolarHBondContact O-N 2.82Å; Q22-E26 PolarHBondContact NE2-OE1 3.19Å; Q22-E26 WeakPolarHBondContact O-CG 3.49Å; Q22-E26 PolarHBondContact O-N 2.81Å; Q22-L68 HydrophobicContact CB-CD1 4.15Å; Q22-L68 HydrophobicContact CG-CD1 3.61Å; Q22-L68 HydrophobicContact CG-CD2 4.41Å; Q22-S112 VanDerWaalsContact OE1-CB 3.31Å; Q22-S112 PolarHBondContact OE1-OG 2.82Å; Q22-L113 HydrophobicContact CG-CD2 3.78Å; Q22-L116 HydrophobicContact CB-CD2 4.01Å; Q22-L116 HydrophobicContact CG-CD2 4.15Å
23	I	98.8	Very high	98.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-53.4	-43.7	173.4	-70.5	165.2	0	0	0	110.3	I19 N20 K21 E26 L27 A65 L68 A69 I79 F81	I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 3.46Å; N20-I23 PolarHBondContact O-N 3.33Å; K21-I23 PolarHBondContact O-N 3.06Å; I23-E26 PolarHBondContact O-N 3.26Å; I23-L27 HydrophobicContact CG2-CD1 3.97Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.33Å; I23-A65 HydrophobicContact CG2-CB 4.46Å; I23-L68 HydrophobicContact CD1-CB 4.26Å; I23-L68 HydrophobicContact CG1-CB 3.54Å; I23-L68 HydrophobicContact CG1-CD1 4.43Å; I23-A69 HydrophobicContact CD1-CB 4.02Å; I23-I79 HydrophobicContact CD1-CG1 4.45Å; I23-I79 HydrophobicContact CD1-CG2 4.45Å; I23-F81 HydrophobicContact CG2-CD1 4.37Å; I23-F81 HydrophobicContact CG2-CE1 4.08Å
24	N	98.5	Very high	98.5	Very high	27 Å²	27	31.7 Å²	31.7	14%	0.144	16%	0.158	C	C	.	.	H	α-helix	trans	-70.1	-33	178.8	-157.2	68	0	0	0	113.2	N20 K21 Q22 Q28 M82	N20-N24 PolarHBondContact O-N 2.94Å; K21-N24 WeakPolarHBondContact O-CB 3.42Å; K21-N24 PolarHBondContact O-N 2.94Å; K21-N24 VanDerWaalsContact O-N 3.16Å; Q22-N24 PolarHBondContact O-N 2.8Å; N24-Q28 WeakPolarHBondContact O-CB 3.47Å; N24-Q28 PolarHBondContact O-N 3.27Å; N24-M82 HydrophobicContact CB-CB 4.41Å; N24-M82 HydrophobicContact CB-CE 3.47Å; N24-M82 VanDerWaalsContact CB-CE 3.47Å; N24-M82 PolarHBondContact OD1-O 3.15Å
25	V	98.5	Very high	98.5	Very high	40 Å²	40	28.5 Å²	28.5	24%	0.242	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-48.6	173.6	169.7	0	0	0	0	110.4	K21 Q22 Q28 A29 I109	K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 2.86Å; Q22-V25 WeakPolarHBondContact O-CA 3.46Å; Q22-V25 WeakPolarHBondContact O-CB 3.41Å; Q22-V25 PolarHBondContact O-N 2.82Å; V25-Q28 PolarHBondContact O-N 3.22Å; V25-A29 PolarHBondContact O-N 3.35Å; V25-I109 HydrophobicContact CG1-CB 4.41Å; V25-I109 HydrophobicContact CG1-CG1 3.85Å; V25-I109 HydrophobicContact CG1-CG2 4.28Å
26	E	98.6	Very high	98.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-39.9	178.5	-54.2	-53.7	170.7	0	0	111.7	Q22 I23 Q28 A29 A30 H64 A65 L68 I109 K140	Q22-E26 PolarHBondContact NE2-OE1 3.19Å; Q22-E26 WeakPolarHBondContact O-CG 3.49Å; Q22-E26 PolarHBondContact O-N 2.81Å; I23-E26 PolarHBondContact O-N 3.26Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 2.93Å; E26-A29 PolarHBondContact O-N 3.12Å; E26-A30 PolarHBondContact O-N 3.5Å; E26-H64 HydrophobicContact CB-CB 4.35Å; E26-H64 HydrophobicContact CG-CB 4.01Å; E26-A65 HydrophobicContact CB-CB 3.87Å; E26-L68 HydrophobicContact CG-CD1 3.72Å; E26-I109 WeakPolarHBondContact OE2-CG2 3.31Å; E26-K140 IonicContact OE2-NZ 3.77Å
27	L	98.7	Very high	98.4	Very high	42 Å²	42	30 Å²	30	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-37.1	175.1	-72.1	173.1	0	0	0	112.6	I23 A30 Y31 A65 F81 L84	I23-L27 HydrophobicContact CG2-CD1 3.97Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.33Å; L27-A30 PolarHBondContact O-N 3.41Å; L27-Y31 PolarHBondContact O-N 2.93Å; L27-A65 HydrophobicContact CD2-CB 3.76Å; L27-A65 HydrophobicContact CG-CB 3.77Å; L27-F81 HydrophobicContact CD1-CD1 3.97Å; L27-F81 HydrophobicContact CD1-CE1 4.07Å; L27-L84 HydrophobicContact CB-CD1 4.41Å; L27-L84 HydrophobicContact CB-CD2 3.91Å
28	Q	98.4	Very high	98.3	Very high	19 Å²	19	29.6 Å²	29.6	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-41.7	174.7	-174.9	61.7	57.4	0	0	111.2	N24 V25 E26 Y31 D32 L84 R85	N24-Q28 WeakPolarHBondContact O-CB 3.47Å; N24-Q28 PolarHBondContact O-N 3.27Å; V25-Q28 PolarHBondContact O-N 3.22Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 2.93Å; Q28-Y31 PolarHBondContact O-N 3.26Å; Q28-D32 PolarHBondContact NE2-OD1 3.44Å; Q28-D32 WeakPolarHBondContact O-CB 3.45Å; Q28-D32 PolarHBondContact O-N 3.44Å; Q28-L84 HydrophobicContact CB-CD2 4.25Å; Q28-R85 HydrophobicContact CG-CG 4.24Å; Q28-R85 PolarHBondContact NE2-O 3.05Å; Q28-R85 PolarHBondContact OE1-O 3.14Å
29	A	98.2	Very high	98.3	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-43.3	175.7	0	0	0	0	0	111.6	V25 E26 Y31 D32 Y33 E61 I109	V25-A29 PolarHBondContact O-N 3.35Å; E26-A29 PolarHBondContact O-N 3.12Å; A29-Y31 VanDerWaalsContact C-N 3.28Å; A29-Y31 PolarHBondContact O-N 2.91Å; A29-D32 PolarHBondContact O-N 2.94Å; A29-Y33 WeakPolarHBondContact O-CD2 3.29Å; A29-Y33 PolarHBondContact O-N 3.07Å; A29-E61 HydrophobicContact CB-CB 4.26Å; A29-E61 HydrophobicContact CB-CG 3.93Å; A29-I109 HydrophobicContact CB-CD1 3.58Å
30	A	98.4	Very high	98.2	Very high	10 Å²	10	30 Å²	30	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-43	173.4	0	0	0	0	0	111.8	E26 L27 M34 S58 E61 R62	E26-A30 PolarHBondContact O-N 3.5Å; L27-A30 PolarHBondContact O-N 3.41Å; A30-M34 PolarHBondContact O-N 3.19Å; A30-S58 WeakPolarHBondContact CB-O 3.44Å; A30-S58 WeakPolarHBondContact O-CB 3.32Å; A30-S58 PolarHBondContact O-OG 2.88Å; A30-E61 HydrophobicContact CB-CB 3.87Å; A30-R62 HydrophobicContact CB-CB 4.21Å
31	Y	98	Very high	98.2	Very high	94 Å²	94	34.5 Å²	34.5	37%	0.369	17%	0.174	S	C	.	.	H	α-helix	trans	-69.4	-40.9	178.5	-170.9	-126.4	0	0	0	112.8	L27 Q28 A29 M34 A35 R85 A87	L27-Y31 PolarHBondContact O-N 2.93Å; Q28-Y31 PolarHBondContact O-N 3.26Å; A29-Y31 VanDerWaalsContact C-N 3.28Å; A29-Y31 PolarHBondContact O-N 2.91Å; Y31-M34 HydrophobicContact CD2-CE 3.59Å; Y31-M34 HydrophobicContact CE2-CE 3.49Å; Y31-M34 VanDerWaalsContact CE2-CE 3.49Å; Y31-M34 WeakPolarHBondContact O-CB 3.45Å; Y31-M34 PolarHBondContact O-N 3.47Å; Y31-A35 PolarHBondContact O-N 3.05Å; Y31-R85 WeakPolarHBondContact CD1-O 3.44Å; Y31-R85 WeakPolarHBondContact CE1-O 3.5Å; Y31-A87 HydrophobicContact CE1-CB 4.42Å
32	D	98.1	Very high	98.2	Very high	16 Å²	16	33.1 Å²	33.1	9%	0.086	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-42.8	175.7	-73	-31	0	0	0	110.8	Q28 A29 M34 A35 F36 R85 A87 Q88	Q28-D32 PolarHBondContact NE2-OD1 3.44Å; Q28-D32 WeakPolarHBondContact O-CB 3.45Å; Q28-D32 PolarHBondContact O-N 3.44Å; A29-D32 PolarHBondContact O-N 2.94Å; D32-M34 PolarHBondContact O-N 3.45Å; D32-A35 WeakPolarHBondContact O-CB 3.47Å; D32-A35 PolarHBondContact O-N 2.92Å; D32-F36 PolarHBondContact O-N 3.3Å; D32-R85 IonicContact OD2-NH2 2.84Å; D32-R85 PolarHBondContact OD2-NH2 3.37Å; D32-A87 WeakPolarHBondContact OD1-CA 3.49Å; D32-Q88 PolarHBondContact OD1-N 2.94Å; D32-Q88 VanDerWaalsContact OD1-N 3.1Å
33	Y	98.3	Very high	98.1	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-28.3	175.9	-73.7	-42.5	0	0	0	114.1	A29 A35 F36 F37 F54 A57 E61 A102 E106	A29-Y33 WeakPolarHBondContact O-CD2 3.29Å; A29-Y33 PolarHBondContact O-N 3.07Å; Y33-A35 VanDerWaalsContact C-N 3.26Å; Y33-A35 PolarHBondContact O-N 2.97Å; Y33-F36 HydrophobicContact CD1-CD2 4.14Å; Y33-F36 HydrophobicContact CE1-CD2 4.49Å; Y33-F36 PolarHBondContact O-N 3.18Å; Y33-F37 PolarHBondContact O-N 3.39Å; Y33-F54 AromaticContact CD1-CD1 3.54Å; Y33-F54 HydrophobicContact CD1-CD1 3.54Å; Y33-F54 AromaticContact CD1-CE1 3.99Å; Y33-F54 HydrophobicContact CD1-CE1 3.99Å; Y33-F54 AromaticContact CE1-CD1 3.9Å; Y33-F54 HydrophobicContact CE1-CD1 3.9Å; Y33-F54 AromaticContact CE1-CE1 3.9Å; Y33-F54 HydrophobicContact CE1-CE1 3.9Å; Y33-F54 HydrophobicContact CG-CD1 4.42Å; Y33-A57 HydrophobicContact CD2-CB 3.82Å; Y33-A57 HydrophobicContact CE2-CB 4.12Å; Y33-A57 HydrophobicContact CG-CB 4.07Å; Y33-E61 HydrophobicContact CD2-CG 3.91Å; Y33-E61 HydrophobicContact CE2-CG 3.97Å; Y33-A102 HydrophobicContact CE1-CB 3.79Å; Y33-E106 VanDerWaalsContact CE2-OE1 3.3Å; Y33-E106 WeakPolarHBondContact CE2-OE1 3.43Å; Y33-E106 PolarHBondContact OH-OE1 3.34Å
34	M	98.1	Very high	98	Very high	84 Å²	84	45.2 Å²	45.2	41%	0.414	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-39.1	171.1	-170.9	179.3	73	0	0	110.8	A30 Y31 D32 F36 F37 T38	A30-M34 PolarHBondContact O-N 3.19Å; Y31-M34 HydrophobicContact CD2-CE 3.59Å; Y31-M34 HydrophobicContact CE2-CE 3.49Å; Y31-M34 VanDerWaalsContact CE2-CE 3.49Å; Y31-M34 WeakPolarHBondContact O-CB 3.45Å; Y31-M34 PolarHBondContact O-N 3.47Å; D32-M34 PolarHBondContact O-N 3.45Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.35Å; M34-F37 PolarHBondContact O-N 2.71Å; M34-T38 WeakPolarHBondContact O-CG2 3.38Å; M34-T38 PolarHBondContact O-N 2.85Å; M34-T38 PolarHBondContact O-OG1 3.47Å
35	A	97.9	Very high	97.9	Very high	11 Å²	11	45.1 Å²	45.1	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-41.3	174.9	0	0	0	0	0	111.7	Y31 D32 Y33 T38 Y39 A87 T90	Y31-A35 PolarHBondContact O-N 3.05Å; D32-A35 WeakPolarHBondContact O-CB 3.47Å; D32-A35 PolarHBondContact O-N 2.92Å; Y33-A35 VanDerWaalsContact C-N 3.26Å; Y33-A35 PolarHBondContact O-N 2.97Å; A35-T38 WeakPolarHBondContact CA-OG1 3.3Å; A35-T38 PolarHBondContact O-N 3.01Å; A35-T38 PolarHBondContact O-OG1 3.2Å; A35-Y39 PolarHBondContact O-N 3.09Å; A35-A87 HydrophobicContact CB-CB 3.64Å; A35-T90 HydrophobicContact CB-CG2 4.38Å
36	F	98.1	Very high	97.7	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-45.6	178.8	-73.6	15.8	0	0	0	111.7	D32 Y33 M34 T38 Y39 F40 F54 L92 A98 I101	D32-F36 PolarHBondContact O-N 3.3Å; Y33-F36 HydrophobicContact CD1-CD2 4.14Å; Y33-F36 HydrophobicContact CE1-CD2 4.49Å; Y33-F36 PolarHBondContact O-N 3.18Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.35Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 3.01Å; F36-Y39 WeakPolarHBondContact O-CB 3.28Å; F36-Y39 PolarHBondContact O-N 3.14Å; F36-F40 WeakPolarHBondContact O-CD2 3.4Å; F36-F40 PolarHBondContact O-N 2.86Å; F36-F54 HydrophobicContact CB-CB 3.98Å; F36-F54 HydrophobicContact CB-CD1 4.09Å; F36-F54 HydrophobicContact CB-CD2 4.07Å; F36-F54 HydrophobicContact CB-CG 3.77Å; F36-F54 AromaticContact CD2-CD1 3.91Å; F36-F54 HydrophobicContact CD2-CD1 3.91Å; F36-F54 AromaticContact CD2-CE1 3.72Å; F36-F54 HydrophobicContact CD2-CE1 3.72Å; F36-F54 HydrophobicContact CD2-CE2 4.4Å; F36-F54 HydrophobicContact CD2-CG 4.33Å; F36-F54 AromaticContact CD2-CZ 3.98Å; F36-F54 HydrophobicContact CD2-CZ 3.98Å; F36-F54 HydrophobicContact CE2-CE1 4.46Å; F36-L92 HydrophobicContact CD1-CD1 3.95Å; F36-L92 HydrophobicContact CD2-CD1 4.45Å; F36-L92 HydrophobicContact CE1-CD1 4.21Å; F36-L92 HydrophobicContact CE1-CD2 4.11Å; F36-L92 HydrophobicContact CG-CD1 4.07Å; F36-L92 HydrophobicContact CZ-CD2 4.13Å; F36-A98 HydrophobicContact CD2-CB 4.35Å; F36-A98 HydrophobicContact CE2-CB 4.34Å; F36-A98 WeakPolarHBondContact CE2-O 3.44Å; F36-I101 HydrophobicContact CE2-CB 4.21Å; F36-I101 HydrophobicContact CE2-CG2 4.21Å; F36-I101 HydrophobicContact CZ-CB 3.89Å; F36-I101 HydrophobicContact CZ-CD1 4.15Å; F36-I101 HydrophobicContact CZ-CG2 3.63Å
37	F	96.7	Very high	97.6	Very high	45 Å²	45	48.3 Å²	48.3	20%	0.197	25%	0.251	C	S	.	.	H	α-helix	trans	-51.7	-53.4	172.2	152.6	-118.6	0	0	0	111.1	Y33 M34 Y39 F40 D41 A51 F54 R55	Y33-F37 PolarHBondContact O-N 3.39Å; M34-F37 PolarHBondContact O-N 2.71Å; F37-Y39 PolarHBondContact O-N 3.3Å; F37-F40 PolarHBondContact O-N 3.43Å; F37-D41 HydrophobicContact CE2-CB 4.16Å; F37-D41 PolarHBondContact O-N 3.41Å; F37-D41 VanDerWaalsContact O-N 3.12Å; F37-A51 HydrophobicContact CD2-CB 3.91Å; F37-A51 VanDerWaalsContact CD2-O 3.31Å; F37-A51 WeakPolarHBondContact CD2-O 3.45Å; F37-A51 HydrophobicContact CE2-CB 4.33Å; F37-F54 HydrophobicContact CB-CB 4.23Å; F37-R55 HydrophobicContact CB-CB 4.13Å; F37-R55 HydrophobicContact CD1-CB 4.41Å; F37-R55 HydrophobicContact CD1-CG 4.4Å; F37-R55 HydrophobicContact CD2-CB 3.81Å; F37-R55 HydrophobicContact CD2-CG 4.36Å; F37-R55 HydrophobicContact CE2-CB 4.39Å; F37-R55 HydrophobicContact CG-CB 3.83Å; F37-R55 HydrophobicContact CG-CG 4.29Å
38	T	97.6	Very high	97.5	Very high	74 Å²	74	49.7 Å²	49.7	45%	0.454	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-25.8	-177.5	55	0	0	0	0	113.6	M34 A35 F36	M34-T38 WeakPolarHBondContact O-CG2 3.38Å; M34-T38 PolarHBondContact O-N 2.85Å; M34-T38 PolarHBondContact O-OG1 3.47Å; A35-T38 WeakPolarHBondContact CA-OG1 3.3Å; A35-T38 PolarHBondContact O-N 3.01Å; A35-T38 PolarHBondContact O-OG1 3.2Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 3.01Å
39	Y	98.2	Very high	97.5	Very high	26 Å²	26	50.5 Å²	50.5	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-50.1	173.4	171.5	-93.7	0	0	0	111.1	A35 F36 F37 D41 R42 V45 T90 L92	A35-Y39 PolarHBondContact O-N 3.09Å; F36-Y39 WeakPolarHBondContact O-CB 3.28Å; F36-Y39 PolarHBondContact O-N 3.14Å; F37-Y39 PolarHBondContact O-N 3.3Å; Y39-D41 VanDerWaalsContact C-N 3.27Å; Y39-D41 PolarHBondContact O-N 3.22Å; Y39-R42 WeakPolarHBondContact O-CB 3.5Å; Y39-R42 WeakPolarHBondContact O-CD 3.26Å; Y39-R42 PolarHBondContact O-N 3.45Å; Y39-V45 HydrophobicContact CD1-CG1 4.19Å; Y39-V45 HydrophobicContact CD2-CG2 4.4Å; Y39-V45 HydrophobicContact CE1-CB 4.43Å; Y39-V45 HydrophobicContact CE1-CG1 3.63Å; Y39-V45 HydrophobicContact CE1-CG2 3.94Å; Y39-V45 HydrophobicContact CE2-CG2 3.78Å; Y39-V45 VanDerWaalsContact CZ-CG2 3.49Å; Y39-T90 WeakPolarHBondContact CD2-O 3.37Å; Y39-L92 HydrophobicContact CD1-CB 3.93Å; Y39-L92 HydrophobicContact CD1-CD1 3.6Å; Y39-L92 HydrophobicContact CD1-CG 4.18Å; Y39-L92 HydrophobicContact CE1-CB 3.61Å; Y39-L92 HydrophobicContact CE1-CD1 4.12Å; Y39-L92 HydrophobicContact CE1-CG 4.36Å; Y39-L92 HydrophobicContact CE2-CB 4.39Å; Y39-L92 HydrophobicContact CG-CB 4.47Å; Y39-L92 HydrophobicContact CG-CD1 4.08Å; Y39-L92 HydrophobicContact CG-CG 4.48Å; Y39-L92 VanDerWaalsContact CZ-O 3.29Å; Y39-L92 PolarHBondContact OH-O 2.7Å
40	F	97.5	Very high	97.5	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-70.3	-21.1	-177	-73.9	-62.8	0	0	0	114.3	F36 F37 R42 V45 F47 A50 A51 F54 L92 L95 A98	F36-F40 WeakPolarHBondContact O-CD2 3.4Å; F36-F40 PolarHBondContact O-N 2.86Å; F37-F40 PolarHBondContact O-N 3.43Å; F40-R42 VanDerWaalsContact C-N 3.31Å; F40-V45 HydrophobicContact CD1-CG1 3.77Å; F40-V45 HydrophobicContact CE1-CG1 4.41Å; F40-F47 HydrophobicContact CB-CB 4.4Å; F40-F47 HydrophobicContact CD1-CB 3.85Å; F40-F47 AromaticContact CD1-CD2 4Å; F40-F47 HydrophobicContact CD1-CD2 4Å; F40-F47 HydrophobicContact CD1-CG 4.29Å; F40-F47 HydrophobicContact CE1-CD2 4.27Å; F40-F47 HydrophobicContact CG-CB 4.47Å; F40-F47 PolarHBondContact O-N 2.98Å; F40-F47 VanDerWaalsContact O-N 3.09Å; F40-A50 HydrophobicContact CB-CB 4.29Å; F40-A50 HydrophobicContact CD1-CB 4.13Å; F40-A50 HydrophobicContact CD2-CB 4.17Å; F40-A50 HydrophobicContact CG-CB 3.94Å; F40-A51 HydrophobicContact CB-CB 3.82Å; F40-F54 AromaticContact CD2-CD2 3.64Å; F40-F54 HydrophobicContact CD2-CD2 3.64Å; F40-F54 AromaticContact CD2-CE2 3.93Å; F40-F54 HydrophobicContact CD2-CE2 3.93Å; F40-F54 AromaticContact CE2-CD2 3.63Å; F40-F54 HydrophobicContact CE2-CD2 3.63Å; F40-F54 AromaticContact CE2-CE2 3.42Å; F40-F54 HydrophobicContact CE2-CE2 3.42Å; F40-F54 VanDerWaalsContact CE2-CE2 3.42Å; F40-F54 HydrophobicContact CE2-CZ 4.49Å; F40-F54 HydrophobicContact CZ-CE2 4.32Å; F40-L92 HydrophobicContact CE2-CD1 3.87Å; F40-L92 HydrophobicContact CZ-CD1 4.03Å; F40-L95 HydrophobicContact CD1-CD2 4.22Å; F40-L95 HydrophobicContact CE1-CD2 3.52Å; F40-L95 HydrophobicContact CE1-CG 4.34Å; F40-L95 HydrophobicContact CZ-CD2 3.76Å; F40-A98 HydrophobicContact CE2-CB 3.65Å; F40-A98 HydrophobicContact CZ-CB 3.5Å
41	D	97.5	Very high	97.4	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.8	177	-160.8	48.7	0	0	0	113.8	F37 Y39 A51	F37-D41 HydrophobicContact CE2-CB 4.16Å; F37-D41 PolarHBondContact O-N 3.41Å; F37-D41 VanDerWaalsContact O-N 3.12Å; Y39-D41 VanDerWaalsContact C-N 3.27Å; Y39-D41 PolarHBondContact O-N 3.22Å; D41-A51 HydrophobicContact CB-CB 4.06Å
42	R	98.3	Very high	97.4	Very high	76 Å²	76	47.9 Å²	47.9	29%	0.287	25%	0.254	S	S	.	.	S	Bend	trans	-67.7	149.1	177.7	-70.8	162.7	53.2	174.9	-5.8	111.8	Y39 F40 D44 V45 S46 E91	Y39-R42 WeakPolarHBondContact O-CB 3.5Å; Y39-R42 WeakPolarHBondContact O-CD 3.26Å; Y39-R42 PolarHBondContact O-N 3.45Å; F40-R42 VanDerWaalsContact C-N 3.31Å; R42-D44 VanDerWaalsContact C-N 3.29Å; R42-D44 WeakPolarHBondContact CB-OD1 3.36Å; R42-D44 IonicContact CZ-OD1 3.09Å; R42-D44 IonicContact CZ-OD2 2.72Å; R42-D44 IonicContact NE-OD1 3.87Å; R42-D44 PolarHBondContact NE-OD1 3.05Å; R42-D44 IonicContact NE-OD2 2.69Å; R42-D44 IonicContact NH2-OD1 2.72Å; R42-D44 PolarHBondContact NH2-OD1 3.48Å; R42-D44 IonicContact NH2-OD2 2.55Å; R42-D44 PolarHBondContact NH2-OD2 3.01Å; R42-D44 PolarHBondContact O-N 2.92Å; R42-V45 HydrophobicContact CB-CB 4.35Å; R42-V45 HydrophobicContact CB-CG2 4.26Å; R42-V45 PolarHBondContact O-N 3.4Å; R42-S46 WeakPolarHBondContact O-CA 3.04Å; R42-S46 PolarHBondContact O-N 3.47Å; R42-E91 IonicContact CZ-OE2 2.88Å; R42-E91 IonicContact NH1-OE1 3.42Å; R42-E91 PolarHBondContact NH1-OE1 3.31Å; R42-E91 IonicContact NH1-OE2 3.68Å; R42-E91 PolarHBondContact NH1-OE2 3.48Å; R42-E91 IonicContact NH2-OE2 3.22Å
43	D	97.7	Very high	97.4	Very high	156 Å²	156	48.4 Å²	48.4	83%	0.834	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.6	179.2	64	-66.7	0	0	0	113.6	V45	D43-V45 VanDerWaalsContact C-N 3.31Å
44	D	96.3	Very high	97.4	Very high	104 Å²	104	48.2 Å²	48.2	56%	0.556	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5	178	69.1	-30.2	0	0	0	114	R42	R42-D44 VanDerWaalsContact C-N 3.29Å; R42-D44 WeakPolarHBondContact CB-OD1 3.36Å; R42-D44 IonicContact CZ-OD1 3.09Å; R42-D44 IonicContact CZ-OD2 2.72Å; R42-D44 IonicContact NE-OD1 3.87Å; R42-D44 PolarHBondContact NE-OD1 3.05Å; R42-D44 IonicContact NE-OD2 2.69Å; R42-D44 IonicContact NH2-OD1 2.72Å; R42-D44 PolarHBondContact NH2-OD1 3.48Å; R42-D44 IonicContact NH2-OD2 2.55Å; R42-D44 PolarHBondContact NH2-OD2 3.01Å; R42-D44 PolarHBondContact O-N 2.92Å
45	V	96	Very high	97.4	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.145	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-53.9	176.1	176.9	0	0	0	0	110.2	Y39 F40 R42 D43 F47	Y39-V45 HydrophobicContact CD1-CG1 4.19Å; Y39-V45 HydrophobicContact CD2-CG2 4.4Å; Y39-V45 HydrophobicContact CE1-CB 4.43Å; Y39-V45 HydrophobicContact CE1-CG1 3.63Å; Y39-V45 HydrophobicContact CE1-CG2 3.94Å; Y39-V45 HydrophobicContact CE2-CG2 3.78Å; Y39-V45 VanDerWaalsContact CZ-CG2 3.49Å; F40-V45 HydrophobicContact CD1-CG1 3.77Å; F40-V45 HydrophobicContact CE1-CG1 4.41Å; R42-V45 HydrophobicContact CB-CB 4.35Å; R42-V45 HydrophobicContact CB-CG2 4.26Å; R42-V45 PolarHBondContact O-N 3.4Å; D43-V45 VanDerWaalsContact C-N 3.31Å; V45-F47 HydrophobicContact CG1-CD2 3.74Å; V45-F47 HydrophobicContact CG1-CE2 4.38Å; V45-F47 WeakPolarHBondContact O-CD2 3.29Å
46	S	95.2	Very high	97.4	Very high	76 Å²	76	52.5 Å²	52.5	53%	0.531	27%	0.266	S	S	.	.			trans	54.6	52.6	169.1	-176.2	0	0	0	0	115.3	R42 P48	R42-S46 WeakPolarHBondContact O-CA 3.04Å; R42-S46 PolarHBondContact O-N 3.47Å; S46-P48 WeakPolarHBondContact O-CD 3.49Å
47	F	96.8	Very high	97.4	Very high	34 Å²	34	52.3 Å²	52.3	15%	0.149	27%	0.266	C	S	.	.			trans	-111.6	71.3	168.2	-68.7	-81.8	0	0	0	110.7	F40 V45 K49 A50 A51 L95 E163 E167	F40-F47 HydrophobicContact CB-CB 4.4Å; F40-F47 HydrophobicContact CD1-CB 3.85Å; F40-F47 AromaticContact CD1-CD2 4Å; F40-F47 HydrophobicContact CD1-CD2 4Å; F40-F47 HydrophobicContact CD1-CG 4.29Å; F40-F47 HydrophobicContact CE1-CD2 4.27Å; F40-F47 HydrophobicContact CG-CB 4.47Å; F40-F47 PolarHBondContact O-N 2.98Å; F40-F47 VanDerWaalsContact O-N 3.09Å; V45-F47 HydrophobicContact CG1-CD2 3.74Å; V45-F47 HydrophobicContact CG1-CE2 4.38Å; V45-F47 WeakPolarHBondContact O-CD2 3.29Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.08Å; F47-A50 HydrophobicContact CB-CB 3.8Å; F47-A50 WeakPolarHBondContact O-CB 3.41Å; F47-A50 PolarHBondContact O-N 3.49Å; F47-A51 PolarHBondContact O-N 2.97Å; F47-L95 HydrophobicContact CD1-CD1 4.04Å; F47-L95 HydrophobicContact CD1-CG 4.43Å; F47-L95 HydrophobicContact CE1-CD1 3.94Å; F47-L95 HydrophobicContact CE1-CG 4.42Å; F47-L95 HydrophobicContact CG-CD2 4.39Å; F47-L95 HydrophobicContact CZ-CD1 4.43Å; F47-E163 HydrophobicContact CE1-CB 3.96Å; F47-E163 HydrophobicContact CZ-CB 4Å; F47-E167 WeakPolarHBondContact CA-OE1 3.4Å; F47-E167 HydrophobicContact CD1-CB 4.08Å; F47-E167 HydrophobicContact CD1-CG 4.21Å; F47-E167 WeakPolarHBondContact CD1-OE2 3.32Å
48	P	96.8	Very high	97.5	Very high	70 Å²	70	50.8 Å²	50.8	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-56.5	-33.3	-173.9	23.9	-36.3	0	0	0	115.2	S46 A51 E52 E167	S46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-A51 WeakPolarHBondContact O-CB 3.46Å; P48-A51 PolarHBondContact O-N 3.49Å; P48-E52 PolarHBondContact O-N 2.85Å; P48-E167 WeakPolarHBondContact CD-OE1 3.5Å; P48-E167 WeakPolarHBondContact CG-OE1 3.34Å
49	K	97.9	Very high	97.5	Very high	37 Å²	37	52 Å²	52	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-77.9	-29.6	177.7	-60.9	175.2	166.3	-179.1	0	111.9	F47 F53 E167 Q168 L171	F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.08Å; K49-F53 VanDerWaalsContact O-CB 3.29Å; K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.27Å; K49-E167 HydrophobicContact CB-CG 3.72Å; K49-E167 HydrophobicContact CD-CG 4.32Å; K49-E167 WeakPolarHBondContact CD-O 3.49Å; K49-E167 HydrophobicContact CG-CG 4.34Å; K49-E167 PolarHBondContact N-OE1 3.45Å; K49-Q168 PolarHBondContact NZ-O 3.41Å; K49-L171 HydrophobicContact CB-CB 3.9Å; K49-L171 HydrophobicContact CB-CD1 4.5Å
50	A	97.5	Very high	97.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-40.3	169	0	0	0	0	0	110.7	F40 F47 F53 F54 L95 L171	F40-A50 HydrophobicContact CB-CB 4.29Å; F40-A50 HydrophobicContact CD1-CB 4.13Å; F40-A50 HydrophobicContact CD2-CB 4.17Å; F40-A50 HydrophobicContact CG-CB 3.94Å; F47-A50 HydrophobicContact CB-CB 3.8Å; F47-A50 WeakPolarHBondContact O-CB 3.41Å; F47-A50 PolarHBondContact O-N 3.49Å; A50-F53 PolarHBondContact O-N 3.02Å; A50-F54 VanDerWaalsContact O-CD2 3.24Å; A50-F54 WeakPolarHBondContact O-CD2 3.46Å; A50-F54 PolarHBondContact O-N 3.25Å; A50-L95 HydrophobicContact CB-CD2 3.69Å; A50-L171 HydrophobicContact CB-CD1 3.87Å
51	A	97.6	Very high	97.5	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-52.3	173.1	0	0	0	0	0	111	F37 F40 D41 F47 P48 F53 F54 R55	F37-A51 HydrophobicContact CD2-CB 3.91Å; F37-A51 VanDerWaalsContact CD2-O 3.31Å; F37-A51 WeakPolarHBondContact CD2-O 3.45Å; F37-A51 HydrophobicContact CE2-CB 4.33Å; F40-A51 HydrophobicContact CB-CB 3.82Å; D41-A51 HydrophobicContact CB-CB 4.06Å; F47-A51 PolarHBondContact O-N 2.97Å; P48-A51 WeakPolarHBondContact O-CB 3.46Å; P48-A51 PolarHBondContact O-N 3.49Å; A51-F53 VanDerWaalsContact C-N 3.35Å; A51-F53 PolarHBondContact O-N 3.06Å; A51-F54 PolarHBondContact O-N 3.16Å; A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 2.95Å
52	E	98	Very high	97.6	Very high	54 Å²	54	56.6 Å²	56.6	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-36.4	178.6	-174.2	58.2	-151.7	0	0	112.4	P48 R55 K56	P48-E52 PolarHBondContact O-N 2.85Å; E52-R55 PolarHBondContact O-N 3.45Å; E52-R55 WeakPolarHBondContact OE2-CD 3.37Å; E52-R55 IonicContact OE2-NH1 3.54Å; E52-R55 PolarHBondContact OE2-NH1 3.49Å; E52-R55 VanDerWaalsContact OE2-NH1 3.09Å; E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 2.91Å; E52-K56 VanDerWaalsContact OE1-CE 3.32Å; E52-K56 WeakPolarHBondContact OE1-CE 3.39Å
53	F	97.9	Very high	97.6	Very high	28 Å²	28	59 Å²	59	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-52.2	173.1	174.8	-94	0	0	0	111.8	K49 A50 A51 R55 K56 A57 F99 F143 Y150 L171	K49-F53 VanDerWaalsContact O-CB 3.29Å; K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.27Å; A50-F53 PolarHBondContact O-N 3.02Å; A51-F53 VanDerWaalsContact C-N 3.35Å; A51-F53 PolarHBondContact O-N 3.06Å; F53-R55 VanDerWaalsContact C-N 3.31Å; F53-R55 PolarHBondContact O-N 3.27Å; F53-K56 PolarHBondContact O-N 2.9Å; F53-A57 PolarHBondContact O-N 3.28Å; F53-F99 HydrophobicContact CD1-CE1 4.16Å; F53-F99 AromaticContact CD1-CZ 3.9Å; F53-F99 HydrophobicContact CD1-CZ 3.9Å; F53-F99 AromaticContact CE1-CE1 3.57Å; F53-F99 HydrophobicContact CE1-CE1 3.57Å; F53-F99 AromaticContact CE1-CZ 3.8Å; F53-F99 HydrophobicContact CE1-CZ 3.8Å; F53-F99 AromaticContact CZ-CE1 3.98Å; F53-F99 HydrophobicContact CZ-CE1 3.98Å; F53-F99 HydrophobicContact CZ-CZ 4.45Å; F53-F143 HydrophobicContact CE2-CE2 4.38Å; F53-F143 AromaticContact CZ-CE2 3.94Å; F53-F143 HydrophobicContact CZ-CE2 3.94Å; F53-F143 HydrophobicContact CZ-CZ 4.03Å; F53-Y150 HydrophobicContact CD2-CE2 4.42Å; F53-Y150 HydrophobicContact CE2-CD2 4.44Å; F53-Y150 AromaticContact CE2-CE2 3.8Å; F53-Y150 HydrophobicContact CE2-CE2 3.8Å; F53-Y150 HydrophobicContact CZ-CD2 4.41Å; F53-Y150 HydrophobicContact CZ-CE2 4.19Å; F53-L171 HydrophobicContact CD2-CD2 4.25Å; F53-L171 HydrophobicContact CG-CD2 4.33Å
54	F	97.7	Very high	97.6	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-26.7	180	-74.6	-63.8	0	0	0	112.9	Y33 F36 F37 F40 A50 A51 A57 S58 A98 F99 A102	Y33-F54 AromaticContact CD1-CD1 3.54Å; Y33-F54 HydrophobicContact CD1-CD1 3.54Å; Y33-F54 AromaticContact CD1-CE1 3.99Å; Y33-F54 HydrophobicContact CD1-CE1 3.99Å; Y33-F54 AromaticContact CE1-CD1 3.9Å; Y33-F54 HydrophobicContact CE1-CD1 3.9Å; Y33-F54 AromaticContact CE1-CE1 3.9Å; Y33-F54 HydrophobicContact CE1-CE1 3.9Å; Y33-F54 HydrophobicContact CG-CD1 4.42Å; F36-F54 HydrophobicContact CB-CB 3.98Å; F36-F54 HydrophobicContact CB-CD1 4.09Å; F36-F54 HydrophobicContact CB-CD2 4.07Å; F36-F54 HydrophobicContact CB-CG 3.77Å; F36-F54 AromaticContact CD2-CD1 3.91Å; F36-F54 HydrophobicContact CD2-CD1 3.91Å; F36-F54 AromaticContact CD2-CE1 3.72Å; F36-F54 HydrophobicContact CD2-CE1 3.72Å; F36-F54 HydrophobicContact CD2-CE2 4.4Å; F36-F54 HydrophobicContact CD2-CG 4.33Å; F36-F54 AromaticContact CD2-CZ 3.98Å; F36-F54 HydrophobicContact CD2-CZ 3.98Å; F36-F54 HydrophobicContact CE2-CE1 4.46Å; F37-F54 HydrophobicContact CB-CB 4.23Å; F40-F54 AromaticContact CD2-CD2 3.64Å; F40-F54 HydrophobicContact CD2-CD2 3.64Å; F40-F54 AromaticContact CD2-CE2 3.93Å; F40-F54 HydrophobicContact CD2-CE2 3.93Å; F40-F54 AromaticContact CE2-CD2 3.63Å; F40-F54 HydrophobicContact CE2-CD2 3.63Å; F40-F54 AromaticContact CE2-CE2 3.42Å; F40-F54 HydrophobicContact CE2-CE2 3.42Å; F40-F54 VanDerWaalsContact CE2-CE2 3.42Å; F40-F54 HydrophobicContact CE2-CZ 4.49Å; F40-F54 HydrophobicContact CZ-CE2 4.32Å; A50-F54 VanDerWaalsContact O-CD2 3.24Å; A50-F54 WeakPolarHBondContact O-CD2 3.46Å; A50-F54 PolarHBondContact O-N 3.25Å; A51-F54 PolarHBondContact O-N 3.16Å; F54-A57 PolarHBondContact O-N 3.25Å; F54-S58 WeakPolarHBondContact O-CB 3.44Å; F54-S58 PolarHBondContact O-N 2.97Å; F54-A98 HydrophobicContact CE2-CB 4.13Å; F54-A98 HydrophobicContact CZ-CB 4.06Å; F54-F99 HydrophobicContact CE2-CE2 4.13Å; F54-F99 HydrophobicContact CE2-CZ 4.28Å; F54-F99 HydrophobicContact CZ-CD2 4.33Å; F54-F99 HydrophobicContact CZ-CE1 4.31Å; F54-F99 HydrophobicContact CZ-CE2 4.11Å; F54-F99 HydrophobicContact CZ-CZ 4.09Å; F54-A102 HydrophobicContact CE1-CB 4.09Å
55	R	98.3	Very high	97.7	Very high	104 Å²	104	47.8 Å²	47.8	39%	0.392	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-45.4	171	-173.6	-170.8	177.9	-166.9	3	111.2	F37 A51 E52 F53 S58 H59	F37-R55 HydrophobicContact CB-CB 4.13Å; F37-R55 HydrophobicContact CD1-CB 4.41Å; F37-R55 HydrophobicContact CD1-CG 4.4Å; F37-R55 HydrophobicContact CD2-CB 3.81Å; F37-R55 HydrophobicContact CD2-CG 4.36Å; F37-R55 HydrophobicContact CE2-CB 4.39Å; F37-R55 HydrophobicContact CG-CB 3.83Å; F37-R55 HydrophobicContact CG-CG 4.29Å; A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 2.95Å; E52-R55 PolarHBondContact O-N 3.45Å; E52-R55 WeakPolarHBondContact OE2-CD 3.37Å; E52-R55 IonicContact OE2-NH1 3.54Å; E52-R55 PolarHBondContact OE2-NH1 3.49Å; E52-R55 VanDerWaalsContact OE2-NH1 3.09Å; F53-R55 VanDerWaalsContact C-N 3.31Å; F53-R55 PolarHBondContact O-N 3.27Å; R55-S58 WeakPolarHBondContact O-CB 3.39Å; R55-S58 PolarHBondContact O-N 3.08Å; R55-H59 PolarHBondContact O-N 3.09Å
56	K	98	Very high	97.9	Very high	81 Å²	81	50.7 Å²	50.7	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-45	175.1	-72.5	174.5	-179.3	178.6	0	111.4	E52 F53 S58 H59 E60 E173	E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 2.91Å; E52-K56 VanDerWaalsContact OE1-CE 3.32Å; E52-K56 WeakPolarHBondContact OE1-CE 3.39Å; F53-K56 PolarHBondContact O-N 2.9Å; K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 3.18Å; K56-H59 PolarHBondContact O-N 3.24Å; K56-H59 VanDerWaalsContact O-N 3.14Å; K56-E60 WeakPolarHBondContact O-CB 3.41Å; K56-E60 PolarHBondContact O-N 2.97Å; K56-E173 WeakPolarHBondContact CE-OXT 3.24Å; K56-E173 PolarHBondContact NZ-O 3.11Å; K56-E173 PolarHBondContact NZ-OXT 3.48Å
57	A	97.7	Very high	98	Very high	3 Å²	3	50.1 Å²	50.1	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-44.4	175	0	0	0	0	0	111.5	Y33 F53 F54 H59 E60 E61 F143	Y33-A57 HydrophobicContact CD2-CB 3.82Å; Y33-A57 HydrophobicContact CE2-CB 4.12Å; Y33-A57 HydrophobicContact CG-CB 4.07Å; F53-A57 PolarHBondContact O-N 3.28Å; F54-A57 PolarHBondContact O-N 3.25Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-H59 PolarHBondContact O-N 2.68Å; A57-E60 PolarHBondContact O-N 2.91Å; A57-E61 WeakPolarHBondContact O-CG 3.42Å; A57-E61 PolarHBondContact O-N 3.15Å; A57-F143 HydrophobicContact CB-CZ 4.16Å
58	S	98.3	Very high	98.1	Very high	14 Å²	14	48.6 Å²	48.6	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-43.7	175.1	179.2	0	0	0	0	112.7	A30 F54 R55 K56 R62	A30-S58 WeakPolarHBondContact CB-O 3.44Å; A30-S58 WeakPolarHBondContact O-CB 3.32Å; A30-S58 PolarHBondContact O-OG 2.88Å; F54-S58 WeakPolarHBondContact O-CB 3.44Å; F54-S58 PolarHBondContact O-N 2.97Å; R55-S58 WeakPolarHBondContact O-CB 3.39Å; R55-S58 PolarHBondContact O-N 3.08Å; K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 3.18Å; S58-R62 PolarHBondContact O-N 3.31Å
59	H	98.5	Very high	98.2	Very high	99 Å²	99	46.1 Å²	46.1	46%	0.458	21%	0.207	S	C	.	.	H	α-helix	trans	-67.3	-41.8	176.3	-69.8	179	0	0	0	112.4	R55 K56 A57 R62 E63	R55-H59 PolarHBondContact O-N 3.09Å; K56-H59 PolarHBondContact O-N 3.24Å; K56-H59 VanDerWaalsContact O-N 3.14Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-H59 PolarHBondContact O-N 2.68Å; H59-R62 WeakPolarHBondContact O-CB 3.45Å; H59-R62 PolarHBondContact O-N 3.23Å; H59-E63 PolarHBondContact O-N 3.36Å
60	E	97.7	Very high	98.2	Very high	76 Å²	76	51 Å²	51	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-43.4	179	-172.3	170.4	178.9	0	0	111.5	K56 A57 R62 E63 H64	K56-E60 WeakPolarHBondContact O-CB 3.41Å; K56-E60 PolarHBondContact O-N 2.97Å; A57-E60 PolarHBondContact O-N 2.91Å; E60-R62 VanDerWaalsContact C-N 3.29Å; E60-R62 PolarHBondContact O-N 2.96Å; E60-E63 CarbonylContact O-C 3.59Å; E60-E63 WeakPolarHBondContact O-CA 3.49Å; E60-E63 WeakPolarHBondContact O-CB 3.32Å; E60-E63 PolarHBondContact O-N 3.17Å; E60-H64 PolarHBondContact O-N 2.67Å
61	E	98.5	Very high	98.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-34.5	174.8	-63.4	-47.3	153.9	0	0	113	A29 A30 Y33 A57 E63 H64 A65 K140	A29-E61 HydrophobicContact CB-CB 4.26Å; A29-E61 HydrophobicContact CB-CG 3.93Å; A30-E61 HydrophobicContact CB-CB 3.87Å; Y33-E61 HydrophobicContact CD2-CG 3.91Å; Y33-E61 HydrophobicContact CE2-CG 3.97Å; A57-E61 WeakPolarHBondContact O-CG 3.42Å; A57-E61 PolarHBondContact O-N 3.15Å; E61-E63 VanDerWaalsContact C-N 3.35Å; E61-H64 WeakPolarHBondContact O-CB 3.41Å; E61-H64 PolarHBondContact O-N 3.38Å; E61-H64 IonicContact OE1-ND1 2.85Å; E61-H64 IonicContact OE2-CE1 3.77Å; E61-H64 IonicContact OE2-CG 2.88Å; E61-H64 IonicContact OE2-ND1 3.31Å; E61-H64 PolarHBondContact OE2-ND1 2.89Å; E61-A65 PolarHBondContact O-N 2.88Å; E61-K140 IonicContact OE1-NZ 3.83Å; E61-K140 PolarHBondContact OE1-NZ 3.04Å; E61-K140 IonicContact OE2-NZ 2.82Å; E61-K140 PolarHBondContact OE2-NZ 2.67Å
62	R	98.7	Very high	98.3	Very high	147 Å²	147	51.7 Å²	51.7	56%	0.555	23%	0.231	S	C	*	.	H	α-helix	trans	-65.8	-39.7	171.7	-178.9	177	171.1	157.9	0.8	111.6	A30 S58 H59 E60 H64 A65 E66	A30-R62 HydrophobicContact CB-CB 4.21Å; S58-R62 PolarHBondContact O-N 3.31Å; H59-R62 WeakPolarHBondContact O-CB 3.45Å; H59-R62 PolarHBondContact O-N 3.23Å; E60-R62 VanDerWaalsContact C-N 3.29Å; E60-R62 PolarHBondContact O-N 2.96Å; R62-H64 VanDerWaalsContact C-N 3.32Å; R62-A65 WeakPolarHBondContact O-CB 3.3Å; R62-A65 PolarHBondContact O-N 3.23Å; R62-E66 IonicContact NE-OE1 3.05Å; R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.32Å
63	E	98.4	Very high	98.3	Very high	127 Å²	127	53.6 Å²	53.6	59%	0.593	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-37.1	174.2	-70.8	-174.6	179.5	0	0	111.9	H59 E60 E61 E66 K67	H59-E63 PolarHBondContact O-N 3.36Å; E60-E63 CarbonylContact O-C 3.59Å; E60-E63 WeakPolarHBondContact O-CA 3.49Å; E60-E63 WeakPolarHBondContact O-CB 3.32Å; E60-E63 PolarHBondContact O-N 3.17Å; E61-E63 VanDerWaalsContact C-N 3.35Å; E63-E66 PolarHBondContact O-N 2.94Å; E63-K67 WeakPolarHBondContact O-CB 3.43Å; E63-K67 PolarHBondContact O-N 2.88Å
64	H	98.3	Very high	98.4	Very high	22 Å²	22	59.8 Å²	59.8	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-47.6	171.6	-63.8	154.2	0	0	0	111.8	E26 E60 E61 R62 E66 K67 L68	E26-H64 HydrophobicContact CB-CB 4.35Å; E26-H64 HydrophobicContact CG-CB 4.01Å; E60-H64 PolarHBondContact O-N 2.67Å; E61-H64 WeakPolarHBondContact O-CB 3.41Å; E61-H64 PolarHBondContact O-N 3.38Å; E61-H64 IonicContact OE1-ND1 2.85Å; E61-H64 IonicContact OE2-CE1 3.77Å; E61-H64 IonicContact OE2-CG 2.88Å; E61-H64 IonicContact OE2-ND1 3.31Å; E61-H64 PolarHBondContact OE2-ND1 2.89Å; R62-H64 VanDerWaalsContact C-N 3.32Å; H64-E66 VanDerWaalsContact C-N 3.31Å; H64-E66 PolarHBondContact O-N 3.47Å; H64-K67 PolarHBondContact O-N 2.98Å; H64-L68 PolarHBondContact O-N 3.32Å
65	A	98.7	Very high	98.4	Very high	3 Å²	3	61.3 Å²	61.3	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175	0	0	0	0	0	112	I23 E26 L27 E61 R62 L68 A69	I23-A65 HydrophobicContact CG2-CB 4.46Å; E26-A65 HydrophobicContact CB-CB 3.87Å; L27-A65 HydrophobicContact CD2-CB 3.76Å; L27-A65 HydrophobicContact CG-CB 3.77Å; E61-A65 PolarHBondContact O-N 2.88Å; R62-A65 WeakPolarHBondContact O-CB 3.3Å; R62-A65 PolarHBondContact O-N 3.23Å; A65-L68 PolarHBondContact O-N 3.2Å; A65-A69 WeakPolarHBondContact O-CB 3.46Å; A65-A69 PolarHBondContact O-N 3.12Å
66	E	98.6	Very high	98.4	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-37.8	177.3	-72.7	-177.6	-167.3	0	0	112.4	R62 E63 H64 A69 K70	R62-E66 IonicContact NE-OE1 3.05Å; R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.32Å; E63-E66 PolarHBondContact O-N 2.94Å; H64-E66 VanDerWaalsContact C-N 3.31Å; H64-E66 PolarHBondContact O-N 3.47Å; E66-A69 PolarHBondContact O-N 3.29Å; E66-K70 WeakPolarHBondContact O-CB 3.45Å; E66-K70 WeakPolarHBondContact O-CG 3.21Å; E66-K70 PolarHBondContact O-N 2.95Å
67	K	98.4	Very high	98.3	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-45.5	176.3	-164.8	-174.7	-68.6	-177.6	0	110.9	E63 H64 K70 Y71 F131 E135	E63-K67 WeakPolarHBondContact O-CB 3.43Å; E63-K67 PolarHBondContact O-N 2.88Å; H64-K67 PolarHBondContact O-N 2.98Å; K67-K70 PolarHBondContact O-N 3.3Å; K67-Y71 PolarHBondContact O-N 2.86Å; K67-F131 HydrophobicContact CD-CE2 4.2Å; K67-F131 HydrophobicContact CD-CZ 4.35Å; K67-F131 HydrophobicContact CG-CE2 4.11Å; K67-F131 HydrophobicContact CG-CZ 4.11Å; K67-E135 HydrophobicContact CD-CB 3.83Å; K67-E135 HydrophobicContact CD-CG 4.28Å; K67-E135 WeakPolarHBondContact CD-OE2 3.45Å; K67-E135 WeakPolarHBondContact CE-OE2 3.36Å; K67-E135 IonicContact NZ-OE2 2.66Å; K67-E135 PolarHBondContact NZ-OE2 2.98Å
68	L	98.7	Very high	98.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-44.5	174	-74.5	161	0	0	0	112	I19 Q22 I23 E26 H64 A65 K70 Y71 Q72 L116 F131	I19-L68 HydrophobicContact CG2-CB 4.35Å; I19-L68 HydrophobicContact CG2-CD2 4.37Å; Q22-L68 HydrophobicContact CB-CD1 4.15Å; Q22-L68 HydrophobicContact CG-CD1 3.61Å; Q22-L68 HydrophobicContact CG-CD2 4.41Å; I23-L68 HydrophobicContact CD1-CB 4.26Å; I23-L68 HydrophobicContact CG1-CB 3.54Å; I23-L68 HydrophobicContact CG1-CD1 4.43Å; E26-L68 HydrophobicContact CG-CD1 3.72Å; H64-L68 PolarHBondContact O-N 3.32Å; A65-L68 PolarHBondContact O-N 3.2Å; L68-K70 PolarHBondContact O-N 3Å; L68-Y71 PolarHBondContact O-N 3.19Å; L68-Q72 WeakPolarHBondContact O-CB 3.44Å; L68-Q72 PolarHBondContact O-N 3.26Å; L68-L116 HydrophobicContact CD2-CD2 4.49Å; L68-F131 HydrophobicContact CD2-CE1 3.8Å; L68-F131 HydrophobicContact CD2-CZ 4.42Å
69	A	98.7	Very high	98.3	Very high	18 Å²	18	58.8 Å²	58.8	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-39.3	177.1	0	0	0	0	0	112.6	I23 A65 E66 Q72 N73 I79	I23-A69 HydrophobicContact CD1-CB 4.02Å; A65-A69 WeakPolarHBondContact O-CB 3.46Å; A65-A69 PolarHBondContact O-N 3.12Å; E66-A69 PolarHBondContact O-N 3.29Å; A69-Q72 WeakPolarHBondContact O-CB 3.48Å; A69-Q72 PolarHBondContact O-N 3.44Å; A69-N73 PolarHBondContact O-N 3.04Å; A69-N73 VanDerWaalsContact O-N 3.1Å; A69-I79 HydrophobicContact CB-CG1 4.12Å
70	K	98.6	Very high	98.3	Very high	141 Å²	141	60.1 Å²	60.1	61%	0.613	27%	0.271	S	S	*	.	H	α-helix	trans	-63.2	-42.8	172.5	-76.4	170.8	-177.1	164.2	0	111.1	E66 K67 L68 N73 K74	E66-K70 WeakPolarHBondContact O-CB 3.45Å; E66-K70 WeakPolarHBondContact O-CG 3.21Å; E66-K70 PolarHBondContact O-N 2.95Å; K67-K70 PolarHBondContact O-N 3.3Å; L68-K70 PolarHBondContact O-N 3Å; K70-N73 PolarHBondContact O-N 3.31Å; K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.03Å
71	Y	98.6	Very high	98.2	Very high	15 Å²	15	63.5 Å²	63.5	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-43.5	176.5	-170.2	-84.7	0	0	0	112.3	I19 K67 L68 N73 K74 R75 G127 L128 F131	I19-Y71 HydrophobicContact CD1-CD1 3.95Å; I19-Y71 HydrophobicContact CD1-CE1 4.28Å; K67-Y71 PolarHBondContact O-N 2.86Å; L68-Y71 PolarHBondContact O-N 3.19Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 3.48Å; Y71-K74 WeakPolarHBondContact O-CB 3.48Å; Y71-K74 PolarHBondContact O-N 2.91Å; Y71-K74 VanDerWaalsContact O-N 3.13Å; Y71-R75 HydrophobicContact CD1-CG 4.03Å; Y71-R75 HydrophobicContact CE1-CG 3.44Å; Y71-R75 VanDerWaalsContact CE1-CG 3.44Å; Y71-R75 PolarHBondContact O-N 3.34Å; Y71-R75 PolarHBondContact OH-NH1 3.26Å; Y71-G127 PolarHBondContact OH-O 3.31Å; Y71-L128 HydrophobicContact CD1-CD1 4.21Å; Y71-L128 HydrophobicContact CE1-CB 4.41Å; Y71-L128 HydrophobicContact CE1-CD1 3.65Å; Y71-L128 VanDerWaalsContact OH-CA 3.3Å; Y71-L128 WeakPolarHBondContact OH-CA 3.5Å; Y71-L128 PolarHBondContact OH-N 3.42Å; Y71-F131 HydrophobicContact CD1-CD1 4.17Å; Y71-F131 HydrophobicContact CD1-CE1 4.38Å; Y71-F131 HydrophobicContact CD1-CG 4.48Å; Y71-F131 HydrophobicContact CD2-CB 3.95Å; Y71-F131 AromaticContact CD2-CD1 3.79Å; Y71-F131 HydrophobicContact CD2-CD1 3.79Å; Y71-F131 AromaticContact CD2-CD2 3.27Å; Y71-F131 HydrophobicContact CD2-CD2 3.27Å; Y71-F131 HydrophobicContact CD2-CE1 4.13Å; Y71-F131 AromaticContact CD2-CE2 3.64Å; Y71-F131 HydrophobicContact CD2-CE2 3.64Å; Y71-F131 AromaticContact CD2-CG 3.35Å; Y71-F131 HydrophobicContact CD2-CG 3.35Å; Y71-F131 HydrophobicContact CD2-CZ 4.05Å; Y71-F131 HydrophobicContact CE1-CD1 4.43Å; Y71-F131 HydrophobicContact CE2-CB 3.44Å; Y71-F131 VanDerWaalsContact CE2-CB 3.44Å; Y71-F131 HydrophobicContact CE2-CD1 4.06Å; Y71-F131 AromaticContact CE2-CD2 3.69Å; Y71-F131 HydrophobicContact CE2-CD2 3.69Å; Y71-F131 HydrophobicContact CE2-CE2 4.48Å; Y71-F131 AromaticContact CE2-CG 3.43Å; Y71-F131 HydrophobicContact CE2-CG 3.43Å; Y71-F131 VanDerWaalsContact CE2-CG 3.43Å; Y71-F131 AromaticContact CG-CD1 3.85Å; Y71-F131 HydrophobicContact CG-CD1 3.85Å; Y71-F131 HydrophobicContact CG-CD2 4.02Å; Y71-F131 AromaticContact CG-CE1 3.89Å; Y71-F131 HydrophobicContact CG-CE1 3.89Å; Y71-F131 HydrophobicContact CG-CE2 4.03Å; Y71-F131 AromaticContact CG-CG 3.92Å; Y71-F131 HydrophobicContact CG-CG 3.92Å; Y71-F131 AromaticContact CG-CZ 3.97Å; Y71-F131 HydrophobicContact CG-CZ 3.97Å
72	Q	98.6	Very high	98.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-52.7	-51.2	173.7	-174.8	75.9	-81.9	0	0	111	E16 I19 N20 L68 A69 R75 G76 G77 I79	E16-Q72 PolarHBondContact O-NE2 3.46Å; I19-Q72 HydrophobicContact CG2-CB 4.09Å; N20-Q72 PolarHBondContact OD1-NE2 3.48Å; L68-Q72 WeakPolarHBondContact O-CB 3.44Å; L68-Q72 PolarHBondContact O-N 3.26Å; A69-Q72 WeakPolarHBondContact O-CB 3.48Å; A69-Q72 PolarHBondContact O-N 3.44Å; Q72-R75 PolarHBondContact O-N 3.21Å; Q72-G76 PolarHBondContact O-N 2.78Å; Q72-G77 WeakPolarHBondContact O-CA 3.45Å; Q72-G77 PolarHBondContact O-N 3.2Å; Q72-I79 HydrophobicContact CB-CD1 4.1Å; Q72-I79 HydrophobicContact CB-CG1 4.26Å; Q72-I79 HydrophobicContact CG-CD1 3.89Å; Q72-I79 HydrophobicContact CG-CG1 4.04Å
73	N	98.1	Very high	98.1	Very high	95 Å²	95	68.4 Å²	68.4	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-41	176.9	-80.9	-34.8	0	0	0	112.6	A69 K70 Y71 R75 G76 I79	A69-N73 PolarHBondContact O-N 3.04Å; A69-N73 VanDerWaalsContact O-N 3.1Å; K70-N73 PolarHBondContact O-N 3.31Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 3.48Å; N73-R75 VanDerWaalsContact C-N 3.28Å; N73-R75 PolarHBondContact O-N 2.88Å; N73-G76 PolarHBondContact O-N 2.72Å; N73-I79 HydrophobicContact CB-CD1 4.5Å; N73-I79 WeakPolarHBondContact ND2-CD1 3.35Å; N73-I79 WeakPolarHBondContact OD1-CD1 3.48Å
74	K	98.1	Very high	98.1	Very high	157 Å²	157	66 Å²	66	68%	0.683	31%	0.31	S	S	*	.	H	α-helix	trans	-56.4	-41.8	177.2	179.4	-174.5	175.7	-174.5	0	111.6	K70 Y71 G76	K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.03Å; Y71-K74 WeakPolarHBondContact O-CB 3.48Å; Y71-K74 PolarHBondContact O-N 2.91Å; Y71-K74 VanDerWaalsContact O-N 3.13Å; K74-G76 PolarHBondContact O-N 3.22Å
75	R	98.1	Very high	98	Very high	34 Å²	34	70.7 Å²	70.7	13%	0.128	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	2.9	178.2	-64.5	-61.3	-61.2	-76.9	-5.2	114	R8 Q9 N10 F11 Y71 Q72 N73 G77 D125	R8-R75 WeakPolarHBondContact CA-O 3.44Å; Q9-R75 PolarHBondContact O-NH2 3Å; Q9-R75 VanDerWaalsContact O-NH2 3.16Å; N10-R75 PolarHBondContact O-NH2 3.43Å; F11-R75 HydrophobicContact CB-CB 4.49Å; F11-R75 HydrophobicContact CD1-CB 3.87Å; F11-R75 HydrophobicContact CD2-CB 3.86Å; F11-R75 HydrophobicContact CD2-CG 4.25Å; F11-R75 HydrophobicContact CE1-CB 4Å; F11-R75 HydrophobicContact CE2-CB 3.99Å; F11-R75 HydrophobicContact CE2-CG 4.3Å; F11-R75 HydrophobicContact CG-CB 3.81Å; F11-R75 HydrophobicContact CZ-CB 4.07Å; Y71-R75 HydrophobicContact CD1-CG 4.03Å; Y71-R75 HydrophobicContact CE1-CG 3.44Å; Y71-R75 VanDerWaalsContact CE1-CG 3.44Å; Y71-R75 PolarHBondContact O-N 3.34Å; Y71-R75 PolarHBondContact OH-NH1 3.26Å; Q72-R75 PolarHBondContact O-N 3.21Å; N73-R75 VanDerWaalsContact C-N 3.28Å; N73-R75 PolarHBondContact O-N 2.88Å; R75-G77 VanDerWaalsContact C-N 3.32Å; R75-D125 IonicContact CZ-OD1 3.52Å; R75-D125 IonicContact CZ-OD2 2.73Å; R75-D125 VanDerWaalsContact CZ-OD2 3.3Å; R75-D125 VanDerWaalsContact NH1-CG 3.28Å; R75-D125 IonicContact NH1-OD1 3.48Å; R75-D125 PolarHBondContact NH1-OD1 2.69Å; R75-D125 IonicContact NH1-OD2 3.3Å; R75-D125 PolarHBondContact NH1-OD2 3.24Å; R75-D125 IonicContact NH2-OD1 2.85Å; R75-D125 PolarHBondContact NH2-OD1 2.89Å; R75-D125 IonicContact NH2-OD2 3.88Å; R75-D125 PolarHBondContact NH2-OD2 3.05Å
76	G	98.1	Very high	97.9	Very high	2 Å²	2	74.3 Å²	74.3	2%	0.021	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	15.2	178.7	0	0	0	0	0	114.3	S5 Q72 N73 K74 R78	S5-G76 WeakPolarHBondContact CB-O 3.4Å; S5-G76 WeakPolarHBondContact OG-CA 3.16Å; Q72-G76 PolarHBondContact O-N 2.78Å; N73-G76 PolarHBondContact O-N 2.72Å; K74-G76 PolarHBondContact O-N 3.22Å; G76-R78 PolarHBondContact O-NH1 2.87Å
77	G	97.8	Very high	97.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.347	C	S	.	.			trans	-72.5	179.7	171.4	0	0	0	0	0	113.4	E16 Q72 R75	E16-G77 VanDerWaalsContact OE1-C 3.28Å; E16-G77 WeakPolarHBondContact OE1-CA 3.43Å; Q72-G77 WeakPolarHBondContact O-CA 3.45Å; Q72-G77 PolarHBondContact O-N 3.2Å; R75-G77 VanDerWaalsContact C-N 3.32Å
78	R	97.7	Very high	96.9	Very high	104 Å²	104	74.2 Å²	74.2	39%	0.392	36%	0.361	S	S	.	.			trans	-125.9	130.6	177.4	-62.2	-64.1	176.5	-90.2	-2.9	108.9	E16 N20 G76	E16-R78 PolarHBondContact OE1-N 3.05Å; N20-R78 PolarHBondContact ND2-O 3.27Å; N20-R78 PolarHBondContact OD1-O 3.1Å; G76-R78 PolarHBondContact O-NH1 2.87Å
79	I	98	Very high	96.5	Very high	43 Å²	43	77.3 Å²	77.3	22%	0.221	38%	0.375	C	S	.	.			trans	-78	129.9	176.3	-63.1	76.6	0	0	0	107.9	N20 I23 A69 Q72 N73 F81	N20-I79 WeakPolarHBondContact OD1-CA 3.3Å; I23-I79 HydrophobicContact CD1-CG1 4.45Å; I23-I79 HydrophobicContact CD1-CG2 4.45Å; A69-I79 HydrophobicContact CB-CG1 4.12Å; Q72-I79 HydrophobicContact CB-CD1 4.1Å; Q72-I79 HydrophobicContact CB-CG1 4.26Å; Q72-I79 HydrophobicContact CG-CD1 3.89Å; Q72-I79 HydrophobicContact CG-CG1 4.04Å; N73-I79 HydrophobicContact CB-CD1 4.5Å; N73-I79 WeakPolarHBondContact ND2-CD1 3.35Å; N73-I79 WeakPolarHBondContact OD1-CD1 3.48Å; I79-F81 HydrophobicContact CG2-CD1 4.13Å; I79-F81 HydrophobicContact CG2-CD2 4.09Å; I79-F81 HydrophobicContact CG2-CE1 3.78Å; I79-F81 HydrophobicContact CG2-CE2 3.74Å; I79-F81 HydrophobicContact CG2-CG 4.28Å; I79-F81 HydrophobicContact CG2-CZ 3.58Å
80	E	97.4	Very high	96.3	Very high	126 Å²	126	80.4 Å²	80.4	59%	0.589	39%	0.392	S	S	*	.			trans	-123.6	108.2	170.7	-64.4	-175.4	171.8	0	0	107.9	N20	N20-E80 PolarHBondContact ND2-N 3.22Å; N20-E80 PolarHBondContact OD1-N 2.99Å
81	F	96.5	Very high	96.3	Very high	148 Å²	148	78.8 Å²	78.8	65%	0.649	39%	0.387	S	S	*	.			trans	-77.8	144.4	176	-64.6	-68.9	0	0	0	110.3	I23 L27 I79	I23-F81 HydrophobicContact CG2-CD1 4.37Å; I23-F81 HydrophobicContact CG2-CE1 4.08Å; L27-F81 HydrophobicContact CD1-CD1 3.97Å; L27-F81 HydrophobicContact CD1-CE1 4.07Å; I79-F81 HydrophobicContact CG2-CD1 4.13Å; I79-F81 HydrophobicContact CG2-CD2 4.09Å; I79-F81 HydrophobicContact CG2-CE1 3.78Å; I79-F81 HydrophobicContact CG2-CE2 3.74Å; I79-F81 HydrophobicContact CG2-CG 4.28Å; I79-F81 HydrophobicContact CG2-CZ 3.58Å
82	M	97	Very high	96.1	Very high	93 Å²	93	78.5 Å²	78.5	46%	0.458	39%	0.386	S	S	.	.			trans	-113.8	168.1	175.9	-68.7	171.8	-82.2	0	0	109.8	N20 N24	N20-M82 WeakPolarHBondContact O-CE 3.45Å; N24-M82 HydrophobicContact CB-CB 4.41Å; N24-M82 HydrophobicContact CB-CE 3.47Å; N24-M82 VanDerWaalsContact CB-CE 3.47Å; N24-M82 PolarHBondContact OD1-O 3.15Å
83	D	98	Very high	95.9	Very high	158 Å²	158	84.4 Å²	84.4	85%	0.845	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-65.6	140.7	175.8	-65.1	-33.8	0	0	0	110.7
84	L	97.7	Very high	95.6	Very high	76 Å²	76	81 Å²	81	40%	0.398	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-89.7	134.1	167.5	-59.7	-177.5	0	0	0	109	L27 Q28	L27-L84 HydrophobicContact CB-CD1 4.41Å; L27-L84 HydrophobicContact CB-CD2 3.91Å; Q28-L84 HydrophobicContact CB-CD2 4.25Å
85	R	96.8	Very high	95.6	Very high	121 Å²	121	73.6 Å²	73.6	46%	0.457	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-74.3	157.9	171.6	56.8	167.4	-171.9	147	8.6	109.4	Q28 Y31 D32 Q88	Q28-R85 HydrophobicContact CG-CG 4.24Å; Q28-R85 PolarHBondContact NE2-O 3.05Å; Q28-R85 PolarHBondContact OE1-O 3.14Å; Y31-R85 WeakPolarHBondContact CD1-O 3.44Å; Y31-R85 WeakPolarHBondContact CE1-O 3.5Å; D32-R85 IonicContact OD2-NH2 2.84Å; D32-R85 PolarHBondContact OD2-NH2 3.37Å; R85-Q88 VanDerWaalsContact NH1-OE1 3.09Å
86	A	95.7	Very high	95.5	Very high	80 Å²	80	74.4 Å²	74.4	66%	0.661	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-52.4	146.1	167.1	0	0	0	0	0	110.3	Q88	A86-Q88 PolarHBondContact O-N 2.65Å
87	A	93.2	Very high	95.4	Very high	20 Å²	20	75.9 Å²	75.9	17%	0.165	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-55.1	134.3	-179.9	0	0	0	0	0	109.9	Y31 D32 A35 K89 T90	Y31-A87 HydrophobicContact CE1-CB 4.42Å; D32-A87 WeakPolarHBondContact OD1-CA 3.49Å; A35-A87 HydrophobicContact CB-CB 3.64Å; A87-K89 PolarHBondContact O-N 2.91Å; A87-K89 VanDerWaalsContact O-N 3.16Å; A87-T90 HydrophobicContact CB-CG2 4.3Å
88	Q	82.9	Confident	95.4	Very high	126 Å²	126	75.9 Å²	75.9	59%	0.589	38%	0.379	S	S	*	.	S	Bend	trans	-60.1	-32.3	-171.5	-178.6	166.2	-22.1	0	0	112.8	D32 R85 A86	D32-Q88 PolarHBondContact OD1-N 2.94Å; D32-Q88 VanDerWaalsContact OD1-N 3.1Å; R85-Q88 VanDerWaalsContact NH1-OE1 3.09Å; A86-Q88 PolarHBondContact O-N 2.65Å
89	K	91.6	Very high	95.4	Very high	66 Å²	66	70.9 Å²	70.9	29%	0.287	36%	0.36	S	S	.	.			trans	-152.1	132.3	-179.3	-166.8	157.6	-178.3	163	0	110.4	A87 E91 L92 E97 I101	A87-K89 PolarHBondContact O-N 2.91Å; A87-K89 VanDerWaalsContact O-N 3.16Å; K89-E91 WeakPolarHBondContact CE-O 3.43Å; K89-E91 WeakPolarHBondContact CG-O 3.32Å; K89-L92 HydrophobicContact CD-CD2 4.09Å; K89-L92 HydrophobicContact CG-CD2 4.2Å; K89-E97 WeakPolarHBondContact CE-OE2 3.49Å; K89-E97 IonicContact NZ-OE1 3.7Å; K89-E97 PolarHBondContact NZ-OE1 2.95Å; K89-E97 IonicContact NZ-OE2 2.62Å; K89-E97 PolarHBondContact NZ-OE2 3.16Å; K89-E97 VanDerWaalsContact NZ-OE2 3.09Å; K89-I101 HydrophobicContact CD-CD1 3.71Å
90	T	94.4	Very high	95.4	Very high	84 Å²	84	73.2 Å²	73.2	52%	0.515	37%	0.37	S	S	.	.	S	Bend	trans	-118.6	-15	179.9	57.8	0	0	0	0	113	A35 Y39 A87	A35-T90 HydrophobicContact CB-CG2 4.38Å; Y39-T90 WeakPolarHBondContact CD2-O 3.37Å; A87-T90 HydrophobicContact CB-CG2 4.3Å
91	E	97.2	Very high	95.4	Very high	106 Å²	106	69 Å²	69	50%	0.495	35%	0.351	S	S	.	.			trans	-118.6	122.1	175	-65.2	-62.2	153.2	0	0	107.4	R42 K89	R42-E91 IonicContact CZ-OE2 2.88Å; R42-E91 IonicContact NH1-OE1 3.42Å; R42-E91 PolarHBondContact NH1-OE1 3.31Å; R42-E91 IonicContact NH1-OE2 3.68Å; R42-E91 PolarHBondContact NH1-OE2 3.48Å; R42-E91 IonicContact NH2-OE2 3.22Å; K89-E91 WeakPolarHBondContact CE-O 3.43Å; K89-E91 WeakPolarHBondContact CG-O 3.32Å
92	L	95.5	Very high	95.5	Very high	9 Å²	9	61.9 Å²	61.9	5%	0.047	32%	0.32	C	S	.	.			trans	-111.7	154.7	179.7	-63.5	157.8	0	0	0	109	F36 Y39 F40 K89 E97 A98 I101	F36-L92 HydrophobicContact CD1-CD1 3.95Å; F36-L92 HydrophobicContact CD2-CD1 4.45Å; F36-L92 HydrophobicContact CE1-CD1 4.21Å; F36-L92 HydrophobicContact CE1-CD2 4.11Å; F36-L92 HydrophobicContact CG-CD1 4.07Å; F36-L92 HydrophobicContact CZ-CD2 4.13Å; Y39-L92 HydrophobicContact CD1-CB 3.93Å; Y39-L92 HydrophobicContact CD1-CD1 3.6Å; Y39-L92 HydrophobicContact CD1-CG 4.18Å; Y39-L92 HydrophobicContact CE1-CB 3.61Å; Y39-L92 HydrophobicContact CE1-CD1 4.12Å; Y39-L92 HydrophobicContact CE1-CG 4.36Å; Y39-L92 HydrophobicContact CE2-CB 4.39Å; Y39-L92 HydrophobicContact CG-CB 4.47Å; Y39-L92 HydrophobicContact CG-CD1 4.08Å; Y39-L92 HydrophobicContact CG-CG 4.48Å; Y39-L92 VanDerWaalsContact CZ-O 3.29Å; Y39-L92 PolarHBondContact OH-O 2.7Å; F40-L92 HydrophobicContact CE2-CD1 3.87Å; F40-L92 HydrophobicContact CZ-CD1 4.03Å; K89-L92 HydrophobicContact CD-CD2 4.09Å; K89-L92 HydrophobicContact CG-CD2 4.2Å; L92-E97 WeakPolarHBondContact CA-OE2 3.42Å; L92-E97 HydrophobicContact CD2-CG 4.15Å; L92-A98 HydrophobicContact CD1-CB 3.82Å; L92-A98 HydrophobicContact CD2-CB 4.29Å; L92-I101 HydrophobicContact CD2-CD1 3.83Å
93	N	93.3	Very high	95.6	Very high	124 Å²	124	58.5 Å²	58.5	66%	0.663	30%	0.304	S	S	*	.	S	Bend	trans	-84	-39.3	178.8	-68.5	-59.9	0	0	0	112	E97	N93-E97 PolarHBondContact N-OE2 3.35Å; N93-E97 VanDerWaalsContact ND2-CD 3.3Å; N93-E97 PolarHBondContact ND2-OE1 2.84Å; N93-E97 VanDerWaalsContact ND2-OE1 3.12Å; N93-E97 PolarHBondContact ND2-OE2 3.36Å
94	D	93.5	Very high	95.6	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.134	29%	0.29	C	S	.	.	S	Bend	trans	-164.5	179	-173.3	47.9	37	0	0	0	111	E96 E97 K159 E163	D94-E96 VanDerWaalsContact C-N 3.27Å; D94-E96 PolarHBondContact O-N 2.9Å; D94-E96 WeakPolarHBondContact OD1-CB 3.31Å; D94-E96 PolarHBondContact OD1-N 2.95Å; D94-E97 PolarHBondContact OD1-N 3.26Å; D94-K159 IonicContact OD2-NZ 3.22Å; D94-K159 PolarHBondContact OD2-NZ 3.07Å; D94-E163 VanDerWaalsContact CB-OE1 3.27Å; D94-E163 WeakPolarHBondContact CB-OE1 3.46Å
95	L	96.1	Very high	95.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-36.5	175.3	-75.4	175.1	0	0	0	111.6	F40 F47 A50 E97 A98 F99 I154 E163 F166	F40-L95 HydrophobicContact CD1-CD2 4.22Å; F40-L95 HydrophobicContact CE1-CD2 3.52Å; F40-L95 HydrophobicContact CE1-CG 4.34Å; F40-L95 HydrophobicContact CZ-CD2 3.76Å; F47-L95 HydrophobicContact CD1-CD1 4.04Å; F47-L95 HydrophobicContact CD1-CG 4.43Å; F47-L95 HydrophobicContact CE1-CD1 3.94Å; F47-L95 HydrophobicContact CE1-CG 4.42Å; F47-L95 HydrophobicContact CG-CD2 4.39Å; F47-L95 HydrophobicContact CZ-CD1 4.43Å; A50-L95 HydrophobicContact CB-CD2 3.69Å; L95-E97 PolarHBondContact O-N 3.09Å; L95-A98 PolarHBondContact O-N 3.35Å; L95-F99 HydrophobicContact CD2-CE2 4.44Å; L95-F99 VanDerWaalsContact O-CD2 3.31Å; L95-F99 WeakPolarHBondContact O-CD2 3.35Å; L95-F99 PolarHBondContact O-N 3Å; L95-F99 VanDerWaalsContact O-N 3.08Å; L95-I154 HydrophobicContact CB-CD1 4.2Å; L95-I154 HydrophobicContact CB-CG2 4.41Å; L95-E163 HydrophobicContact CB-CG 4.47Å; L95-E163 HydrophobicContact CD1-CB 3.76Å; L95-E163 HydrophobicContact CD1-CG 4.12Å; L95-E163 PolarHBondContact N-OE1 3.26Å; L95-E163 VanDerWaalsContact N-OE1 3.12Å; L95-F166 HydrophobicContact CD1-CD1 4.03Å
96	E	97.2	Very high	95.6	Very high	51 Å²	51	46.8 Å²	46.8	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-50.9	-178.1	-172	174.2	177.6	0	0	110.8	D94 A98 F99 E100 L151 I154 Q155	D94-E96 VanDerWaalsContact C-N 3.27Å; D94-E96 PolarHBondContact O-N 2.9Å; D94-E96 WeakPolarHBondContact OD1-CB 3.31Å; D94-E96 PolarHBondContact OD1-N 2.95Å; E96-A98 VanDerWaalsContact C-N 3.3Å; E96-A98 PolarHBondContact O-N 2.97Å; E96-F99 PolarHBondContact O-N 3.4Å; E96-E100 HydrophobicContact CG-CG 4.48Å; E96-E100 WeakPolarHBondContact O-CG 3.48Å; E96-E100 PolarHBondContact O-N 3.14Å; E96-L151 HydrophobicContact CG-CD1 3.83Å; E96-I154 HydrophobicContact CB-CG2 3.86Å; E96-I154 HydrophobicContact CG-CG2 4.48Å; E96-Q155 HydrophobicContact CG-CG 4.26Å; E96-Q155 WeakPolarHBondContact OE1-CG 3.38Å; E96-Q155 PolarHBondContact OE1-NE2 3.24Å
97	E	96.7	Very high	95.7	Very high	33 Å²	33	48.4 Å²	48.4	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-40.4	178.9	179.6	170.8	-122.3	0	0	112.7	K89 L92 N93 D94 L95 E100 I101	K89-E97 WeakPolarHBondContact CE-OE2 3.49Å; K89-E97 IonicContact NZ-OE1 3.7Å; K89-E97 PolarHBondContact NZ-OE1 2.95Å; K89-E97 IonicContact NZ-OE2 2.62Å; K89-E97 PolarHBondContact NZ-OE2 3.16Å; K89-E97 VanDerWaalsContact NZ-OE2 3.09Å; L92-E97 WeakPolarHBondContact CA-OE2 3.42Å; L92-E97 HydrophobicContact CD2-CG 4.15Å; N93-E97 PolarHBondContact N-OE2 3.35Å; N93-E97 VanDerWaalsContact ND2-CD 3.3Å; N93-E97 PolarHBondContact ND2-OE1 2.84Å; N93-E97 VanDerWaalsContact ND2-OE1 3.12Å; N93-E97 PolarHBondContact ND2-OE2 3.36Å; D94-E97 PolarHBondContact OD1-N 3.26Å; L95-E97 PolarHBondContact O-N 3.09Å; E97-E100 PolarHBondContact O-N 3.34Å; E97-I101 HydrophobicContact CG-CD1 3.84Å; E97-I101 HydrophobicContact CG-CG1 4.47Å; E97-I101 VanDerWaalsContact O-CG1 3.28Å; E97-I101 WeakPolarHBondContact O-CG1 3.37Å; E97-I101 PolarHBondContact O-N 2.96Å
98	A	96.9	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-44.7	178.7	0	0	0	0	0	111.9	F36 F40 F54 L92 L95 E96 I101 A102	F36-A98 HydrophobicContact CD2-CB 4.35Å; F36-A98 HydrophobicContact CE2-CB 4.34Å; F36-A98 WeakPolarHBondContact CE2-O 3.44Å; F40-A98 HydrophobicContact CE2-CB 3.65Å; F40-A98 HydrophobicContact CZ-CB 3.5Å; F54-A98 HydrophobicContact CE2-CB 4.13Å; F54-A98 HydrophobicContact CZ-CB 4.06Å; L92-A98 HydrophobicContact CD1-CB 3.82Å; L92-A98 HydrophobicContact CD2-CB 4.29Å; L95-A98 PolarHBondContact O-N 3.35Å; E96-A98 VanDerWaalsContact C-N 3.3Å; E96-A98 PolarHBondContact O-N 2.97Å; A98-I101 PolarHBondContact O-N 3.28Å; A98-A102 WeakPolarHBondContact O-CB 3.19Å; A98-A102 PolarHBondContact O-N 3.27Å
99	F	97.6	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.1	-30	178.6	-82	-83	0	0	0	112.6	F53 F54 L95 E96 L103 I147 Y150 L151 I154 F166 L171	F53-F99 HydrophobicContact CD1-CE1 4.16Å; F53-F99 AromaticContact CD1-CZ 3.9Å; F53-F99 HydrophobicContact CD1-CZ 3.9Å; F53-F99 AromaticContact CE1-CE1 3.57Å; F53-F99 HydrophobicContact CE1-CE1 3.57Å; F53-F99 AromaticContact CE1-CZ 3.8Å; F53-F99 HydrophobicContact CE1-CZ 3.8Å; F53-F99 AromaticContact CZ-CE1 3.98Å; F53-F99 HydrophobicContact CZ-CE1 3.98Å; F53-F99 HydrophobicContact CZ-CZ 4.45Å; F54-F99 HydrophobicContact CE2-CE2 4.13Å; F54-F99 HydrophobicContact CE2-CZ 4.28Å; F54-F99 HydrophobicContact CZ-CD2 4.33Å; F54-F99 HydrophobicContact CZ-CE1 4.31Å; F54-F99 HydrophobicContact CZ-CE2 4.11Å; F54-F99 HydrophobicContact CZ-CZ 4.09Å; L95-F99 HydrophobicContact CD2-CE2 4.44Å; L95-F99 VanDerWaalsContact O-CD2 3.31Å; L95-F99 WeakPolarHBondContact O-CD2 3.35Å; L95-F99 PolarHBondContact O-N 3Å; L95-F99 VanDerWaalsContact O-N 3.08Å; E96-F99 PolarHBondContact O-N 3.4Å; F99-L103 VanDerWaalsContact O-CB 3.3Å; F99-L103 WeakPolarHBondContact O-CB 3.45Å; F99-L103 PolarHBondContact O-N 2.88Å; F99-I147 HydrophobicContact CD1-CG2 4.17Å; F99-I147 WeakPolarHBondContact O-CG2 3.28Å; F99-Y150 HydrophobicContact CD1-CD2 4.37Å; F99-Y150 AromaticContact CE1-CD2 3.61Å; F99-Y150 HydrophobicContact CE1-CD2 3.61Å; F99-Y150 HydrophobicContact CE1-CG 4.33Å; F99-Y150 HydrophobicContact CZ-CD2 4.14Å; F99-L151 HydrophobicContact CB-CD1 4.15Å; F99-I154 HydrophobicContact CB-CD1 4.09Å; F99-I154 HydrophobicContact CD2-CD1 3.32Å; F99-I154 HydrophobicContact CE2-CD1 3.91Å; F99-I154 HydrophobicContact CG-CD1 3.76Å; F99-F166 HydrophobicContact CE2-CE1 4.11Å; F99-F166 HydrophobicContact CZ-CE1 4.36Å; F99-L171 HydrophobicContact CZ-CD2 4.22Å
100	E	98.1	Very high	97.1	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-46.3	170.8	-74	-173.1	153	0	0	112	E96 E97 L103 S104 L151	E96-E100 HydrophobicContact CG-CG 4.48Å; E96-E100 WeakPolarHBondContact O-CG 3.48Å; E96-E100 PolarHBondContact O-N 3.14Å; E97-E100 PolarHBondContact O-N 3.34Å; E100-L103 PolarHBondContact O-N 2.85Å; E100-S104 WeakPolarHBondContact O-CB 3.22Å; E100-S104 PolarHBondContact O-N 3.27Å; E100-L151 HydrophobicContact CG-CD1 3.66Å; E100-L151 HydrophobicContact CG-CD2 3.9Å; E100-L151 HydrophobicContact CG-CG 4.44Å
101	I	97.9	Very high	97.3	Very high	36 Å²	36	45.9 Å²	45.9	19%	0.185	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-45.2	177.8	-64.4	164.5	0	0	0	109.9	F36 K89 L92 E97 A98 L103 S104 S105	F36-I101 HydrophobicContact CE2-CB 4.21Å; F36-I101 HydrophobicContact CE2-CG2 4.21Å; F36-I101 HydrophobicContact CZ-CB 3.89Å; F36-I101 HydrophobicContact CZ-CD1 4.15Å; F36-I101 HydrophobicContact CZ-CG2 3.63Å; K89-I101 HydrophobicContact CD-CD1 3.71Å; L92-I101 HydrophobicContact CD2-CD1 3.83Å; E97-I101 HydrophobicContact CG-CD1 3.84Å; E97-I101 HydrophobicContact CG-CG1 4.47Å; E97-I101 VanDerWaalsContact O-CG1 3.28Å; E97-I101 WeakPolarHBondContact O-CG1 3.37Å; E97-I101 PolarHBondContact O-N 2.96Å; A98-I101 PolarHBondContact O-N 3.28Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.12Å; I101-S104 PolarHBondContact O-N 3.33Å; I101-S105 WeakPolarHBondContact O-CB 3.3Å; I101-S105 PolarHBondContact O-N 3.24Å; I101-S105 PolarHBondContact O-OG 3.12Å
102	A	97.7	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.7	-47	175.8	0	0	0	0	0	111.4	Y33 F54 A98 S104 S105 E106 I147	Y33-A102 HydrophobicContact CE1-CB 3.79Å; F54-A102 HydrophobicContact CE1-CB 4.09Å; A98-A102 WeakPolarHBondContact O-CB 3.19Å; A98-A102 PolarHBondContact O-N 3.27Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.32Å; A102-S105 PolarHBondContact O-N 2.88Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 3.45Å; A102-I147 HydrophobicContact CB-CD1 4.01Å; A102-I147 HydrophobicContact CB-CG2 4.47Å
103	L	98.4	Very high	97.5	Very high	22 Å²	22	41 Å²	41	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-41	178.3	-173.4	57.5	0	0	0	112.4	F99 E100 I101 K107 I144 I147 A148 L151	F99-L103 VanDerWaalsContact O-CB 3.3Å; F99-L103 WeakPolarHBondContact O-CB 3.45Å; F99-L103 PolarHBondContact O-N 2.88Å; E100-L103 PolarHBondContact O-N 2.85Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.12Å; L103-K107 WeakPolarHBondContact O-CG 3.35Å; L103-K107 PolarHBondContact O-N 3.45Å; L103-I144 HydrophobicContact CD1-CG2 4.01Å; L103-I147 HydrophobicContact CB-CG2 3.6Å; L103-I147 HydrophobicContact CD1-CB 4.3Å; L103-I147 HydrophobicContact CD1-CG2 3.95Å; L103-I147 HydrophobicContact CG-CG2 4.28Å; L103-A148 HydrophobicContact CD1-CB 4.31Å; L103-A148 HydrophobicContact CD2-CB 4.46Å; L103-L151 HydrophobicContact CD2-CD2 3.97Å
104	S	98.2	Very high	97.7	Very high	80 Å²	80	37.4 Å²	37.4	56%	0.559	20%	0.197	S	C	*	.	H	α-helix	trans	-66	-44.1	177.2	-174	0	0	0	0	111.4	E100 I101 A102 K107 S108	E100-S104 WeakPolarHBondContact O-CB 3.22Å; E100-S104 PolarHBondContact O-N 3.27Å; I101-S104 PolarHBondContact O-N 3.33Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.32Å; S104-K107 PolarHBondContact O-N 2.98Å; S104-S108 PolarHBondContact O-N 3.4Å
105	S	97.3	Very high	98	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-50.6	176.4	-67.9	0	0	0	0	111.4	I101 A102 K107 S108 I109	I101-S105 WeakPolarHBondContact O-CB 3.3Å; I101-S105 PolarHBondContact O-N 3.24Å; I101-S105 PolarHBondContact O-OG 3.12Å; A102-S105 PolarHBondContact O-N 2.88Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 3.46Å; S105-S108 CarbonylContact O-C 3.56Å; S105-S108 WeakPolarHBondContact O-CA 3.29Å; S105-S108 WeakPolarHBondContact O-CB 3.38Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-I109 WeakPolarHBondContact O-CG1 3.34Å; S105-I109 PolarHBondContact O-N 3.12Å
106	E	98.3	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-39.4	-179.5	-68.7	-47.7	136	0	0	112.9	Y33 A102 S108 I109 Y110 K140 F143 I144 I147	Y33-E106 VanDerWaalsContact CE2-OE1 3.3Å; Y33-E106 WeakPolarHBondContact CE2-OE1 3.43Å; Y33-E106 PolarHBondContact OH-OE1 3.34Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 3.45Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.39Å; E106-I109 PolarHBondContact O-N 3.18Å; E106-Y110 WeakPolarHBondContact O-CB 3.33Å; E106-Y110 PolarHBondContact O-N 2.98Å; E106-K140 VanDerWaalsContact OE2-CD 3.29Å; E106-K140 WeakPolarHBondContact OE2-CD 3.19Å; E106-K140 IonicContact OE2-NZ 3.6Å; E106-K140 PolarHBondContact OE2-NZ 2.86Å; E106-F143 HydrophobicContact CG-CD1 3.64Å; E106-F143 HydrophobicContact CG-CE1 3.89Å; E106-I144 HydrophobicContact CB-CD1 4.37Å; E106-I144 HydrophobicContact CB-CG1 3.62Å; E106-I147 HydrophobicContact CG-CD1 3.78Å
107	K	98.6	Very high	98.2	Very high	115 Å²	115	39.5 Å²	39.5	50%	0.5	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-37	173.6	-74.8	176.8	177.3	177.9	0	112.1	L103 S104 S105 Q111 I144	L103-K107 WeakPolarHBondContact O-CG 3.35Å; L103-K107 PolarHBondContact O-N 3.45Å; S104-K107 PolarHBondContact O-N 2.98Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 3.46Å; K107-Q111 PolarHBondContact O-N 3.34Å; K107-I144 HydrophobicContact CG-CD1 4.24Å; K107-I144 HydrophobicContact CG-CG2 4.38Å
108	S	98.4	Very high	98.3	Very high	83 Å²	83	42.2 Å²	42.2	58%	0.58	22%	0.222	S	C	*	.	H	α-helix	trans	-68.1	-40.7	175.7	-170.3	0	0	0	0	112	S104 S105 E106 Q111 S112	S104-S108 PolarHBondContact O-N 3.4Å; S105-S108 CarbonylContact O-C 3.56Å; S105-S108 WeakPolarHBondContact O-CA 3.29Å; S105-S108 WeakPolarHBondContact O-CB 3.38Å; S105-S108 PolarHBondContact O-N 2.98Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.39Å; S108-Q111 PolarHBondContact O-N 2.9Å; S108-S112 PolarHBondContact O-N 2.85Å
109	I	98.5	Very high	98.4	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-45.2	176.1	-63.4	164.9	0	0	0	109.8	V25 E26 A29 S105 E106 Q111 S112 L113 K140	V25-I109 HydrophobicContact CG1-CB 4.41Å; V25-I109 HydrophobicContact CG1-CG1 3.85Å; V25-I109 HydrophobicContact CG1-CG2 4.28Å; E26-I109 WeakPolarHBondContact OE2-CG2 3.31Å; A29-I109 HydrophobicContact CB-CD1 3.58Å; S105-I109 WeakPolarHBondContact O-CG1 3.34Å; S105-I109 PolarHBondContact O-N 3.12Å; E106-I109 PolarHBondContact O-N 3.18Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.06Å; I109-S112 WeakPolarHBondContact O-CA 3.47Å; I109-S112 WeakPolarHBondContact O-CB 3.49Å; I109-S112 PolarHBondContact O-N 3.21Å; I109-S112 VanDerWaalsContact O-N 3.07Å; I109-L113 HydrophobicContact CG2-CD1 4.42Å; I109-L113 PolarHBondContact O-N 2.84Å; I109-K140 HydrophobicContact CG2-CD 4.34Å
110	Y	98.6	Very high	98.4	Very high	54 Å²	54	43.5 Å²	43.5	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-45	175	-176.6	-99.2	0	0	0	112	E106 S112 L113 L114 L137 K140 E141 I144	E106-Y110 WeakPolarHBondContact O-CB 3.33Å; E106-Y110 PolarHBondContact O-N 2.98Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.3Å; Y110-L113 WeakPolarHBondContact O-CB 3.22Å; Y110-L113 PolarHBondContact O-N 2.88Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; Y110-L114 HydrophobicContact CD1-CD1 4.07Å; Y110-L114 HydrophobicContact CD1-CG 4.33Å; Y110-L114 HydrophobicContact CE1-CD1 3.63Å; Y110-L114 HydrophobicContact CE1-CD2 4.29Å; Y110-L114 HydrophobicContact CE1-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.47Å; Y110-L114 PolarHBondContact O-N 3.41Å; Y110-L137 HydrophobicContact CD2-CD2 3.79Å; Y110-L137 HydrophobicContact CE2-CB 4.2Å; Y110-L137 HydrophobicContact CE2-CD2 3.47Å; Y110-L137 VanDerWaalsContact CE2-CD2 3.47Å; Y110-L137 HydrophobicContact CE2-CG 4.38Å; Y110-K140 HydrophobicContact CD2-CB 3.95Å; Y110-E141 HydrophobicContact CD2-CG 4.46Å; Y110-E141 HydrophobicContact CE2-CG 3.68Å; Y110-E141 PolarHBondContact OH-OE1 3.05Å; Y110-E141 VanDerWaalsContact OH-OE1 3.14Å; Y110-I144 HydrophobicContact CD2-CD1 4.48Å; Y110-I144 HydrophobicContact CG-CD1 4.16Å
111	Q	98.7	Very high	98.4	Very high	99 Å²	99	44.1 Å²	44.1	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-38.3	175.2	-171.7	58.2	64.1	0	0	112.4	K107 S108 I109 L113 L114 E115	K107-Q111 PolarHBondContact O-N 3.34Å; S108-Q111 PolarHBondContact O-N 2.9Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.06Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L114 PolarHBondContact O-N 2.95Å; Q111-E115 WeakPolarHBondContact O-CG 3.34Å; Q111-E115 PolarHBondContact O-N 2.87Å
112	S	98.6	Very high	98.5	Very high	13 Å²	13	48.6 Å²	48.6	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-36.4	174.2	-172.6	0	0	0	0	112.3	Q22 S108 I109 Y110 E115 L116	Q22-S112 VanDerWaalsContact OE1-CB 3.31Å; Q22-S112 PolarHBondContact OE1-OG 2.82Å; S108-S112 PolarHBondContact O-N 2.85Å; I109-S112 WeakPolarHBondContact O-CA 3.47Å; I109-S112 WeakPolarHBondContact O-CB 3.49Å; I109-S112 PolarHBondContact O-N 3.21Å; I109-S112 VanDerWaalsContact O-N 3.07Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.3Å; S112-E115 WeakPolarHBondContact O-CB 3.19Å; S112-E115 PolarHBondContact O-N 2.61Å; S112-L116 PolarHBondContact O-N 2.66Å
113	L	98.7	Very high	98.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-38.7	173.3	-70.9	168	0	0	0	112.1	Q22 I109 Y110 Q111 E115 L116 H117 I132 C136 L137 K140	Q22-L113 HydrophobicContact CG-CD2 3.78Å; I109-L113 HydrophobicContact CG2-CD1 4.42Å; I109-L113 PolarHBondContact O-N 2.84Å; Y110-L113 WeakPolarHBondContact O-CB 3.22Å; Y110-L113 PolarHBondContact O-N 2.88Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; L113-L116 WeakPolarHBondContact O-CB 3.49Å; L113-L116 PolarHBondContact O-N 3.31Å; L113-H117 WeakPolarHBondContact O-CB 3.42Å; L113-H117 PolarHBondContact O-N 3.43Å; L113-I132 HydrophobicContact CB-CG2 4.49Å; L113-C136 HydrophobicContact CD1-CB 3.87Å; L113-C136 HydrophobicContact CD2-CB 3.8Å; L113-C136 HydrophobicContact CG-CB 4.46Å; L113-L137 HydrophobicContact CB-CD2 3.57Å; L113-L137 HydrophobicContact CD1-CD2 4.24Å; L113-K140 HydrophobicContact CD1-CG 3.73Å
114	L	98.6	Very high	98.5	Very high	48 Å²	48	56.5 Å²	56.5	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-39.1	172.5	-65.6	-179.7	0	0	0	111.8	Y110 Q111 H117 N118 L137	Y110-L114 HydrophobicContact CD1-CD1 4.07Å; Y110-L114 HydrophobicContact CD1-CG 4.33Å; Y110-L114 HydrophobicContact CE1-CD1 3.63Å; Y110-L114 HydrophobicContact CE1-CD2 4.29Å; Y110-L114 HydrophobicContact CE1-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.47Å; Y110-L114 PolarHBondContact O-N 3.41Å; Q111-L114 PolarHBondContact O-N 2.95Å; L114-H117 PolarHBondContact O-N 3.04Å; L114-N118 VanDerWaalsContact O-CG 3.29Å; L114-N118 PolarHBondContact O-N 3.14Å; L114-N118 PolarHBondContact O-ND2 3.34Å; L114-L137 HydrophobicContact CD2-CD1 4.14Å; L114-L137 HydrophobicContact CD2-CD2 4.04Å
115	E	98.7	Very high	98.5	Very high	93 Å²	93	52.9 Å²	52.9	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-44.8	172.6	-71	174.4	-170.5	0	0	111.6	K21 Q111 S112 L113 H117 N118 V119	K21-E115 IonicContact NZ-OE2 3.26Å; K21-E115 PolarHBondContact NZ-OE2 3.18Å; Q111-E115 WeakPolarHBondContact O-CG 3.34Å; Q111-E115 PolarHBondContact O-N 2.87Å; S112-E115 WeakPolarHBondContact O-CB 3.19Å; S112-E115 PolarHBondContact O-N 2.61Å; L113-E115 VanDerWaalsContact C-N 3.33Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 3.39Å; E115-N118 PolarHBondContact O-N 3Å; E115-V119 WeakPolarHBondContact O-CG2 3.03Å; E115-V119 PolarHBondContact O-N 2.87Å; E115-V119 VanDerWaalsContact O-N 3.09Å
116	L	98.8	Very high	98.6	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-41.7	175.5	172.8	61	0	0	0	111.6	A18 I19 Q22 L68 S112 L113 V119 A120 I132	A18-L116 HydrophobicContact CB-CD1 3.41Å; A18-L116 VanDerWaalsContact CB-CD1 3.41Å; I19-L116 HydrophobicContact CG1-CD1 3.95Å; I19-L116 HydrophobicContact CG1-CD2 4.4Å; Q22-L116 HydrophobicContact CB-CD2 4.01Å; Q22-L116 HydrophobicContact CG-CD2 4.15Å; L68-L116 HydrophobicContact CD2-CD2 4.49Å; S112-L116 PolarHBondContact O-N 2.66Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; L113-L116 WeakPolarHBondContact O-CB 3.49Å; L113-L116 PolarHBondContact O-N 3.31Å; L116-V119 WeakPolarHBondContact O-CB 3.42Å; L116-V119 PolarHBondContact O-N 3.03Å; L116-A120 PolarHBondContact O-N 3.38Å; L116-A120 VanDerWaalsContact O-N 3.08Å; L116-I132 HydrophobicContact CB-CD1 4.49Å; L116-I132 HydrophobicContact CD2-CD1 4.06Å; L116-I132 HydrophobicContact CD2-CG1 4.1Å; L116-I132 HydrophobicContact CG-CD1 3.65Å; L116-I132 HydrophobicContact CG-CG1 4.26Å
117	H	98.7	Very high	98.5	Very high	22 Å²	22	57.4 Å²	57.4	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-46.2	176.3	-177	-81.9	0	0	0	111.8	L113 L114 E115 V119 A120 E121 I132 E133	L113-H117 WeakPolarHBondContact O-CB 3.42Å; L113-H117 PolarHBondContact O-N 3.43Å; L114-H117 PolarHBondContact O-N 3.04Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 3.39Å; H117-V119 VanDerWaalsContact C-N 3.27Å; H117-V119 PolarHBondContact O-N 3.4Å; H117-A120 WeakPolarHBondContact O-CA 3.44Å; H117-A120 VanDerWaalsContact O-CB 3.29Å; H117-A120 WeakPolarHBondContact O-CB 3.24Å; H117-A120 PolarHBondContact O-N 2.6Å; H117-E121 VanDerWaalsContact CE1-CD 3.45Å; H117-E121 IonicContact CE1-OE1 3.82Å; H117-E121 PolarHBondContact CE1-OE1 3.07Å; H117-E121 VanDerWaalsContact CE1-OE1 3.22Å; H117-E121 IonicContact ND1-OE1 2.88Å; H117-E121 PolarHBondContact O-N 3.2Å; H117-I132 HydrophobicContact CB-CD1 4.19Å; H117-I132 HydrophobicContact CB-CG2 4.09Å; H117-E133 IonicContact CD2-OE1 3.84Å; H117-E133 IonicContact CE1-OE1 2.68Å; H117-E133 IonicContact NE2-OE1 3.09Å; H117-E133 PolarHBondContact NE2-OE1 3.29Å
118	N	98.7	Very high	98.5	Very high	91 Å²	91	51.9 Å²	51.9	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-36.6	175.1	-73.4	-49.9	0	0	0	112.6	L114 E115 A120 E121 K122	L114-N118 VanDerWaalsContact O-CG 3.29Å; L114-N118 PolarHBondContact O-N 3.14Å; L114-N118 PolarHBondContact O-ND2 3.34Å; E115-N118 PolarHBondContact O-N 3Å; N118-A120 VanDerWaalsContact C-N 3.35Å; N118-E121 PolarHBondContact O-N 3.43Å; N118-K122 VanDerWaalsContact O-CB 3.3Å; N118-K122 WeakPolarHBondContact O-CB 3.29Å; N118-K122 PolarHBondContact O-N 2.95Å
119	V	98.8	Very high	98.6	Very high	26 Å²	26	48.6 Å²	48.6	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-41.3	174	172.7	0	0	0	0	110.7	E14 A18 E115 L116 H117 H123	E14-V119 HydrophobicContact CB-CG1 4.23Å; E14-V119 HydrophobicContact CG-CG1 3.86Å; A18-V119 HydrophobicContact CB-CB 4.48Å; A18-V119 HydrophobicContact CB-CG1 4.23Å; E115-V119 WeakPolarHBondContact O-CG2 3.03Å; E115-V119 PolarHBondContact O-N 2.87Å; E115-V119 VanDerWaalsContact O-N 3.09Å; L116-V119 WeakPolarHBondContact O-CB 3.42Å; L116-V119 PolarHBondContact O-N 3.03Å; H117-V119 VanDerWaalsContact C-N 3.27Å; H117-V119 PolarHBondContact O-N 3.4Å; V119-H123 PolarHBondContact O-CD2 2.98Å; V119-H123 VanDerWaalsContact O-CD2 3.28Å; V119-H123 PolarHBondContact O-N 3Å
120	A	98.7	Very high	98.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.4	0	0	0	0	0	112.1	L116 H117 N118 H123 N124 D125 L128 C129 I132	L116-A120 PolarHBondContact O-N 3.38Å; L116-A120 VanDerWaalsContact O-N 3.08Å; H117-A120 WeakPolarHBondContact O-CA 3.44Å; H117-A120 VanDerWaalsContact O-CB 3.29Å; H117-A120 WeakPolarHBondContact O-CB 3.24Å; H117-A120 PolarHBondContact O-N 2.6Å; N118-A120 VanDerWaalsContact C-N 3.35Å; A120-H123 CarbonylContact O-C 3.59Å; A120-H123 PolarHBondContact O-N 2.97Å; A120-N124 PolarHBondContact O-N 2.81Å; A120-D125 PolarHBondContact O-N 2.76Å; A120-L128 HydrophobicContact CB-CB 3.95Å; A120-L128 HydrophobicContact CB-CD2 3.64Å; A120-L128 HydrophobicContact CB-CG 3.63Å; A120-C129 VanDerWaalsContact CB-SG 3.57Å; A120-I132 HydrophobicContact CB-CD1 4.32Å
121	E	98.5	Very high	98.5	Very high	106 Å²	106	52.6 Å²	52.6	50%	0.495	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-47.3	176.4	-72.2	-166	145.9	0	0	111.9	H117 N118 H123 N124	H117-E121 VanDerWaalsContact CE1-CD 3.45Å; H117-E121 IonicContact CE1-OE1 3.82Å; H117-E121 PolarHBondContact CE1-OE1 3.07Å; H117-E121 VanDerWaalsContact CE1-OE1 3.22Å; H117-E121 IonicContact ND1-OE1 2.88Å; H117-E121 PolarHBondContact O-N 3.2Å; N118-E121 PolarHBondContact O-N 3.43Å; E121-H123 PolarHBondContact O-N 3.32Å; E121-H123 VanDerWaalsContact O-N 3.15Å; E121-N124 PolarHBondContact O-N 3.09Å
122	K	98.6	Very high	98.5	Very high	130 Å²	130	47.9 Å²	47.9	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-54	-35.6	177.1	177.7	-170.2	173.6	-162.1	0	112.3	E14 N118	E14-K122 VanDerWaalsContact CD-NZ 3.29Å; E14-K122 IonicContact OE1-NZ 2.71Å; E14-K122 PolarHBondContact OE1-NZ 2.93Å; E14-K122 IonicContact OE2-NZ 3.86Å; E14-K122 PolarHBondContact OE2-NZ 2.9Å; N118-K122 VanDerWaalsContact O-CB 3.3Å; N118-K122 WeakPolarHBondContact O-CB 3.29Å; N118-K122 PolarHBondContact O-N 2.95Å
123	H	98.5	Very high	98.5	Very high	59 Å²	59	51.5 Å²	51.5	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7	179	-75.6	-70.2	0	0	0	114.1	A12 E14 V119 A120 E121 D125	A12-H123 HydrophobicContact CB-CB 4.01Å; A12-H123 WeakPolarHBondContact CB-ND1 3.11Å; E14-H123 WeakPolarHBondContact CB-NE2 3.46Å; E14-H123 IonicContact OE2-CD2 2.81Å; E14-H123 IonicContact OE2-CE1 2.8Å; E14-H123 IonicContact OE2-NE2 2.94Å; E14-H123 PolarHBondContact OE2-NE2 3.43Å; V119-H123 PolarHBondContact O-CD2 2.98Å; V119-H123 VanDerWaalsContact O-CD2 3.28Å; V119-H123 PolarHBondContact O-N 3Å; A120-H123 CarbonylContact O-C 3.59Å; A120-H123 PolarHBondContact O-N 2.97Å; E121-H123 PolarHBondContact O-N 3.32Å; E121-H123 VanDerWaalsContact O-N 3.15Å; H123-D125 VanDerWaalsContact C-N 3.3Å; H123-D125 PolarHBondContact O-N 3.21Å
124	N	98.1	Very high	98.4	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	49	-176.3	-55.5	-81.8	0	0	0	111.7	N10 A120 E121 P126	N10-N124 PolarHBondContact ND2-O 3.32Å; N10-N124 VanDerWaalsContact ND2-O 3.12Å; A120-N124 PolarHBondContact O-N 2.81Å; E121-N124 PolarHBondContact O-N 3.09Å; N124-P126 VanDerWaalsContact C-CD 3.43Å; N124-P126 WeakPolarHBondContact O-CD 3.35Å
125	D	98.6	Very high	98.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.291	C	S	.	.			trans	-104.2	79.5	176.5	-165.9	-20.8	0	0	0	111.1	R75 A120 H123 G127 L128 C129	R75-D125 IonicContact CZ-OD1 3.52Å; R75-D125 IonicContact CZ-OD2 2.73Å; R75-D125 VanDerWaalsContact CZ-OD2 3.3Å; R75-D125 VanDerWaalsContact NH1-CG 3.28Å; R75-D125 IonicContact NH1-OD1 3.48Å; R75-D125 PolarHBondContact NH1-OD1 2.69Å; R75-D125 IonicContact NH1-OD2 3.3Å; R75-D125 PolarHBondContact NH1-OD2 3.24Å; R75-D125 IonicContact NH2-OD1 2.85Å; R75-D125 PolarHBondContact NH2-OD1 2.89Å; R75-D125 IonicContact NH2-OD2 3.88Å; R75-D125 PolarHBondContact NH2-OD2 3.05Å; A120-D125 PolarHBondContact O-N 2.76Å; H123-D125 VanDerWaalsContact C-N 3.3Å; H123-D125 PolarHBondContact O-N 3.21Å; D125-G127 PolarHBondContact O-N 3.32Å; D125-G127 PolarHBondContact OD1-N 3.01Å; D125-L128 HydrophobicContact CB-CB 4.12Å; D125-L128 PolarHBondContact O-N 3.14Å; D125-L128 VanDerWaalsContact O-N 3.09Å; D125-L128 PolarHBondContact OD1-N 3.45Å; D125-L128 VanDerWaalsContact OD1-N 3.14Å; D125-C129 PolarHBondContact O-N 3.22Å; D125-C129 VanDerWaalsContact O-N 3.08Å; D125-C129 PolarHBondContact O-SG 3.37Å
126	P	98.2	Very high	98.2	Very high	93 Å²	93	52.3 Å²	52.3	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-30.3	-176	25.7	-35.5	0	0	0	112.6	N124 L128 C129 E130	N124-P126 VanDerWaalsContact C-CD 3.43Å; N124-P126 WeakPolarHBondContact O-CD 3.35Å; P126-L128 VanDerWaalsContact C-N 3.3Å; P126-L128 PolarHBondContact O-N 3.41Å; P126-C129 PolarHBondContact O-N 2.93Å; P126-E130 WeakPolarHBondContact O-CB 3.49Å; P126-E130 PolarHBondContact O-N 3.13Å
127	G	98	Very high	98.2	Very high	29 Å²	29	52.9 Å²	52.9	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-71.3	-27	179	0	0	0	0	0	112.8	Y71 D125 F131	Y71-G127 PolarHBondContact OH-O 3.31Å; D125-G127 PolarHBondContact O-N 3.32Å; D125-G127 PolarHBondContact OD1-N 3.01Å; G127-F131 WeakPolarHBondContact O-CB 3.38Å; G127-F131 PolarHBondContact O-N 3.11Å
128	L	98.6	Very high	98	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-79.8	-41.1	171.8	177.1	57.6	0	0	0	110.8	F11 C15 I19 Y71 A120 D125 P126 F131 I132	F11-L128 HydrophobicContact CE2-CD2 4.48Å; C15-L128 HydrophobicContact CB-CD2 3.73Å; I19-L128 HydrophobicContact CD1-CD1 3.75Å; I19-L128 HydrophobicContact CD1-CD2 4.24Å; I19-L128 HydrophobicContact CG1-CD1 4.28Å; Y71-L128 HydrophobicContact CD1-CD1 4.21Å; Y71-L128 HydrophobicContact CE1-CB 4.41Å; Y71-L128 HydrophobicContact CE1-CD1 3.65Å; Y71-L128 VanDerWaalsContact OH-CA 3.3Å; Y71-L128 WeakPolarHBondContact OH-CA 3.5Å; Y71-L128 PolarHBondContact OH-N 3.42Å; A120-L128 HydrophobicContact CB-CB 3.95Å; A120-L128 HydrophobicContact CB-CD2 3.64Å; A120-L128 HydrophobicContact CB-CG 3.63Å; D125-L128 HydrophobicContact CB-CB 4.12Å; D125-L128 PolarHBondContact O-N 3.14Å; D125-L128 VanDerWaalsContact O-N 3.09Å; D125-L128 PolarHBondContact OD1-N 3.45Å; D125-L128 VanDerWaalsContact OD1-N 3.14Å; P126-L128 VanDerWaalsContact C-N 3.3Å; P126-L128 PolarHBondContact O-N 3.41Å; L128-F131 HydrophobicContact CD1-CD1 4.25Å; L128-F131 PolarHBondContact O-N 3.14Å; L128-I132 HydrophobicContact CD1-CD1 3.78Å; L128-I132 HydrophobicContact CD1-CG1 3.97Å; L128-I132 HydrophobicContact CG-CD1 3.73Å; L128-I132 HydrophobicContact CG-CG1 4.42Å; L128-I132 WeakPolarHBondContact O-CD1 3.49Å; L128-I132 VanDerWaalsContact O-CG1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.45Å; L128-I132 PolarHBondContact O-N 2.76Å
129	C	98.7	Very high	97.8	Very high	13 Å²	13	56.4 Å²	56.4	9%	0.088	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-53.4	173.1	-64.7	0	0	0	0	111.4	A120 D125 P126 F131 I132 E133	A120-C129 VanDerWaalsContact CB-SG 3.57Å; D125-C129 PolarHBondContact O-N 3.22Å; D125-C129 VanDerWaalsContact O-N 3.08Å; D125-C129 PolarHBondContact O-SG 3.37Å; P126-C129 PolarHBondContact O-N 2.93Å; C129-F131 VanDerWaalsContact C-N 3.29Å; C129-F131 PolarHBondContact O-N 2.72Å; C129-I132 PolarHBondContact O-N 2.93Å; C129-I132 VanDerWaalsContact O-N 3.12Å; C129-E133 VanDerWaalsContact O-CG 3.32Å; C129-E133 WeakPolarHBondContact O-CG 3.21Å; C129-E133 PolarHBondContact O-N 3.21Å
130	E	98.3	Very high	97.7	Very high	124 Å²	124	55.4 Å²	55.4	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-42.6	178.9	-179.1	-176.8	-171.6	0	0	111.8	P126 E133 T134	P126-E130 WeakPolarHBondContact O-CB 3.49Å; P126-E130 PolarHBondContact O-N 3.13Å; E130-E133 PolarHBondContact O-N 3.41Å; E130-T134 HydrophobicContact CG-CG2 4.45Å; E130-T134 WeakPolarHBondContact O-CB 3.39Å; E130-T134 WeakPolarHBondContact O-CG2 3.48Å; E130-T134 PolarHBondContact O-N 2.89Å; E130-T134 PolarHBondContact O-OG1 3.44Å
131	F	98.4	Very high	97.6	Very high	21 Å²	21	60.4 Å²	60.4	9%	0.092	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.4	170.9	-98.6	0	0	0	112	K67 L68 Y71 G127 L128 C129 E135	K67-F131 HydrophobicContact CD-CE2 4.2Å; K67-F131 HydrophobicContact CD-CZ 4.35Å; K67-F131 HydrophobicContact CG-CE2 4.11Å; K67-F131 HydrophobicContact CG-CZ 4.11Å; L68-F131 HydrophobicContact CD2-CE1 3.8Å; L68-F131 HydrophobicContact CD2-CZ 4.42Å; Y71-F131 HydrophobicContact CD1-CD1 4.17Å; Y71-F131 HydrophobicContact CD1-CE1 4.38Å; Y71-F131 HydrophobicContact CD1-CG 4.48Å; Y71-F131 HydrophobicContact CD2-CB 3.95Å; Y71-F131 AromaticContact CD2-CD1 3.79Å; Y71-F131 HydrophobicContact CD2-CD1 3.79Å; Y71-F131 AromaticContact CD2-CD2 3.27Å; Y71-F131 HydrophobicContact CD2-CD2 3.27Å; Y71-F131 HydrophobicContact CD2-CE1 4.13Å; Y71-F131 AromaticContact CD2-CE2 3.64Å; Y71-F131 HydrophobicContact CD2-CE2 3.64Å; Y71-F131 AromaticContact CD2-CG 3.35Å; Y71-F131 HydrophobicContact CD2-CG 3.35Å; Y71-F131 HydrophobicContact CD2-CZ 4.05Å; Y71-F131 HydrophobicContact CE1-CD1 4.43Å; Y71-F131 HydrophobicContact CE2-CB 3.44Å; Y71-F131 VanDerWaalsContact CE2-CB 3.44Å; Y71-F131 HydrophobicContact CE2-CD1 4.06Å; Y71-F131 AromaticContact CE2-CD2 3.69Å; Y71-F131 HydrophobicContact CE2-CD2 3.69Å; Y71-F131 HydrophobicContact CE2-CE2 4.48Å; Y71-F131 AromaticContact CE2-CG 3.43Å; Y71-F131 HydrophobicContact CE2-CG 3.43Å; Y71-F131 VanDerWaalsContact CE2-CG 3.43Å; Y71-F131 AromaticContact CG-CD1 3.85Å; Y71-F131 HydrophobicContact CG-CD1 3.85Å; Y71-F131 HydrophobicContact CG-CD2 4.02Å; Y71-F131 AromaticContact CG-CE1 3.89Å; Y71-F131 HydrophobicContact CG-CE1 3.89Å; Y71-F131 HydrophobicContact CG-CE2 4.03Å; Y71-F131 AromaticContact CG-CG 3.92Å; Y71-F131 HydrophobicContact CG-CG 3.92Å; Y71-F131 AromaticContact CG-CZ 3.97Å; Y71-F131 HydrophobicContact CG-CZ 3.97Å; G127-F131 WeakPolarHBondContact O-CB 3.38Å; G127-F131 PolarHBondContact O-N 3.11Å; L128-F131 HydrophobicContact CD1-CD1 4.25Å; L128-F131 PolarHBondContact O-N 3.14Å; C129-F131 VanDerWaalsContact C-N 3.29Å; C129-F131 PolarHBondContact O-N 2.72Å; F131-E135 HydrophobicContact CD2-CB 3.99Å; F131-E135 HydrophobicContact CD2-CG 3.71Å; F131-E135 HydrophobicContact CE2-CB 3.81Å; F131-E135 HydrophobicContact CE2-CG 3.81Å; F131-E135 HydrophobicContact CZ-CB 4.33Å; F131-E135 VanDerWaalsContact O-CB 3.24Å; F131-E135 WeakPolarHBondContact O-CB 3.5Å; F131-E135 PolarHBondContact O-N 3Å
132	I	98.6	Very high	97.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-43.6	-179.9	-63.9	156.6	0	0	0	110.5	L113 L116 H117 A120 L128 C129 C136 L137	L113-I132 HydrophobicContact CB-CG2 4.49Å; L116-I132 HydrophobicContact CB-CD1 4.49Å; L116-I132 HydrophobicContact CD2-CD1 4.06Å; L116-I132 HydrophobicContact CD2-CG1 4.1Å; L116-I132 HydrophobicContact CG-CD1 3.65Å; L116-I132 HydrophobicContact CG-CG1 4.26Å; H117-I132 HydrophobicContact CB-CD1 4.19Å; H117-I132 HydrophobicContact CB-CG2 4.09Å; A120-I132 HydrophobicContact CB-CD1 4.32Å; L128-I132 HydrophobicContact CD1-CD1 3.78Å; L128-I132 HydrophobicContact CD1-CG1 3.97Å; L128-I132 HydrophobicContact CG-CD1 3.73Å; L128-I132 HydrophobicContact CG-CG1 4.42Å; L128-I132 WeakPolarHBondContact O-CD1 3.49Å; L128-I132 VanDerWaalsContact O-CG1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.45Å; L128-I132 PolarHBondContact O-N 2.76Å; C129-I132 PolarHBondContact O-N 2.93Å; C129-I132 VanDerWaalsContact O-N 3.12Å; I132-C136 WeakPolarHBondContact O-CA 2.8Å; I132-C136 VanDerWaalsContact O-CB 3.3Å; I132-C136 WeakPolarHBondContact O-CB 3.35Å; I132-C136 PolarHBondContact O-N 3.36Å; I132-L137 HydrophobicContact CG2-CD1 4.08Å; I132-L137 HydrophobicContact CG2-CD2 4.49Å; I132-L137 HydrophobicContact CG2-CG 3.93Å; I132-L137 PolarHBondContact O-N 2.87Å
133	E	98.2	Very high	97.5	Very high	90 Å²	90	56.2 Å²	56.2	42%	0.421	29%	0.292	S	S	.	.	I	π-helix	trans	-60.9	-52.3	179.5	-71.2	164.9	-159.6	0	0	111.8	H117 C129 E130 L137 E138	H117-E133 IonicContact CD2-OE1 3.84Å; H117-E133 IonicContact CE1-OE1 2.68Å; H117-E133 IonicContact NE2-OE1 3.09Å; H117-E133 PolarHBondContact NE2-OE1 3.29Å; C129-E133 VanDerWaalsContact O-CG 3.32Å; C129-E133 WeakPolarHBondContact O-CG 3.21Å; C129-E133 PolarHBondContact O-N 3.21Å; E130-E133 PolarHBondContact O-N 3.41Å; E133-L137 HydrophobicContact CG-CD1 4.39Å; E133-E138 PolarHBondContact O-N 3.24Å
134	T	96.6	Very high	97.5	Very high	68 Å²	68	54.8 Å²	54.8	42%	0.417	29%	0.286	S	S	.	.	I	π-helix	trans	-82.4	-37.2	-171.1	55.5	0	0	0	0	113.7	E130	E130-T134 HydrophobicContact CG-CG2 4.45Å; E130-T134 WeakPolarHBondContact O-CB 3.39Å; E130-T134 WeakPolarHBondContact O-CG2 3.48Å; E130-T134 PolarHBondContact O-N 2.89Å; E130-T134 PolarHBondContact O-OG1 3.44Å
135	E	95.6	Very high	97.5	Very high	77 Å²	77	53.7 Å²	53.7	36%	0.36	28%	0.275	S	S	.	.	I	π-helix	trans	-99.9	-15.7	-171.5	-62.8	-71.5	165.7	0	0	113.5	K67 F131 N139	K67-E135 HydrophobicContact CD-CB 3.83Å; K67-E135 HydrophobicContact CD-CG 4.28Å; K67-E135 WeakPolarHBondContact CD-OE2 3.45Å; K67-E135 WeakPolarHBondContact CE-OE2 3.36Å; K67-E135 IonicContact NZ-OE2 2.66Å; K67-E135 PolarHBondContact NZ-OE2 2.98Å; F131-E135 HydrophobicContact CD2-CB 3.99Å; F131-E135 HydrophobicContact CD2-CG 3.71Å; F131-E135 HydrophobicContact CE2-CB 3.81Å; F131-E135 HydrophobicContact CE2-CG 3.81Å; F131-E135 HydrophobicContact CZ-CB 4.33Å; F131-E135 VanDerWaalsContact O-CB 3.24Å; F131-E135 WeakPolarHBondContact O-CB 3.5Å; F131-E135 PolarHBondContact O-N 3Å; E135-N139 PolarHBondContact O-ND2 2.92Å
136	C	97.3	Very high	97.5	Very high	13 Å²	13	55.1 Å²	55.1	9%	0.088	28%	0.284	C	S	.	.	I	π-helix	trans	-123.4	-60	-174.3	-52.5	0	0	0	0	112.7	L113 I132 N139 K140	L113-C136 HydrophobicContact CD1-CB 3.87Å; L113-C136 HydrophobicContact CD2-CB 3.8Å; L113-C136 HydrophobicContact CG-CB 4.46Å; I132-C136 WeakPolarHBondContact O-CA 2.8Å; I132-C136 VanDerWaalsContact O-CB 3.3Å; I132-C136 WeakPolarHBondContact O-CB 3.35Å; I132-C136 PolarHBondContact O-N 3.36Å; C136-N139 PolarHBondContact O-N 3.45Å; C136-K140 WeakPolarHBondContact O-CG 3.19Å; C136-K140 PolarHBondContact O-N 3.09Å; C136-K140 VanDerWaalsContact O-N 3.12Å
137	L	98	Very high	97.5	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.084	26%	0.255	C	S	.	.	I	π-helix	trans	-63.2	-47.7	-171.3	-67.5	177.1	0	0	0	112.2	Y110 L113 L114 I132 E133 N139 K140 E141	Y110-L137 HydrophobicContact CD2-CD2 3.79Å; Y110-L137 HydrophobicContact CE2-CB 4.2Å; Y110-L137 HydrophobicContact CE2-CD2 3.47Å; Y110-L137 VanDerWaalsContact CE2-CD2 3.47Å; Y110-L137 HydrophobicContact CE2-CG 4.38Å; L113-L137 HydrophobicContact CB-CD2 3.57Å; L113-L137 HydrophobicContact CD1-CD2 4.24Å; L114-L137 HydrophobicContact CD2-CD1 4.14Å; L114-L137 HydrophobicContact CD2-CD2 4.04Å; I132-L137 HydrophobicContact CG2-CD1 4.08Å; I132-L137 HydrophobicContact CG2-CD2 4.49Å; I132-L137 HydrophobicContact CG2-CG 3.93Å; I132-L137 PolarHBondContact O-N 2.87Å; E133-L137 HydrophobicContact CG-CD1 4.39Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-K140 PolarHBondContact O-N 2.97Å; L137-K140 VanDerWaalsContact O-N 3.12Å; L137-E141 WeakPolarHBondContact O-CG 3.14Å; L137-E141 PolarHBondContact O-N 2.9Å
138	E	95.5	Very high	97.5	Very high	124 Å²	124	50.8 Å²	50.8	58%	0.579	25%	0.253	S	S	*	.	H	α-helix	trans	-57.3	-44.4	179.7	-174.3	175.5	178.8	0	0	112.3	E133 K140 E141 Q142	E133-E138 PolarHBondContact O-N 3.24Å; E138-K140 PolarHBondContact O-N 2.55Å; E138-E141 PolarHBondContact O-N 3.43Å; E138-Q142 PolarHBondContact O-N 3Å; E138-Q142 VanDerWaalsContact O-N 3.14Å
139	N	94	Very high	97.5	Very high	63 Å²	63	53.9 Å²	53.9	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-43.5	177.7	-67.7	-33.3	0	0	0	111.4	E135 C136 L137 Q142 F143	E135-N139 PolarHBondContact O-ND2 2.92Å; C136-N139 PolarHBondContact O-N 3.45Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.37Å; N139-Q142 PolarHBondContact O-N 3.18Å; N139-F143 WeakPolarHBondContact O-CB 3.43Å; N139-F143 PolarHBondContact O-N 3.06Å
140	K	96.2	Very high	97.5	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-40	179.6	-68.3	-63.6	-177.3	173.8	0	112.6	E26 E61 E106 I109 Y110 L113 C136 L137 E138 Q142 F143 I144	E26-K140 IonicContact OE2-NZ 3.77Å; E61-K140 IonicContact OE1-NZ 3.83Å; E61-K140 PolarHBondContact OE1-NZ 3.04Å; E61-K140 IonicContact OE2-NZ 2.82Å; E61-K140 PolarHBondContact OE2-NZ 2.67Å; E106-K140 VanDerWaalsContact OE2-CD 3.29Å; E106-K140 WeakPolarHBondContact OE2-CD 3.19Å; E106-K140 IonicContact OE2-NZ 3.6Å; E106-K140 PolarHBondContact OE2-NZ 2.86Å; I109-K140 HydrophobicContact CG2-CD 4.34Å; Y110-K140 HydrophobicContact CD2-CB 3.95Å; L113-K140 HydrophobicContact CD1-CG 3.73Å; C136-K140 WeakPolarHBondContact O-CG 3.19Å; C136-K140 PolarHBondContact O-N 3.09Å; C136-K140 VanDerWaalsContact O-N 3.12Å; L137-K140 PolarHBondContact O-N 2.97Å; L137-K140 VanDerWaalsContact O-N 3.12Å; E138-K140 PolarHBondContact O-N 2.55Å; K140-Q142 VanDerWaalsContact C-N 3.33Å; K140-Q142 PolarHBondContact O-N 3.22Å; K140-F143 PolarHBondContact O-N 2.99Å; K140-I144 WeakPolarHBondContact O-CB 3.4Å; K140-I144 WeakPolarHBondContact O-CD1 3.5Å; K140-I144 WeakPolarHBondContact O-CG1 3.31Å; K140-I144 PolarHBondContact O-N 3.26Å
141	E	97.5	Very high	97.4	Very high	105 Å²	105	50.2 Å²	50.2	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-58.6	-46.1	174.8	-71.6	176.4	167.2	0	0	111.5	Y110 L137 E138 K145	Y110-E141 HydrophobicContact CD2-CG 4.46Å; Y110-E141 HydrophobicContact CE2-CG 3.68Å; Y110-E141 PolarHBondContact OH-OE1 3.05Å; Y110-E141 VanDerWaalsContact OH-OE1 3.14Å; L137-E141 WeakPolarHBondContact O-CG 3.14Å; L137-E141 PolarHBondContact O-N 2.9Å; E138-E141 PolarHBondContact O-N 3.43Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 VanDerWaalsContact O-N 3.11Å
142	Q	97.1	Very high	97.4	Very high	123 Å²	123	52.5 Å²	52.5	58%	0.575	27%	0.266	S	S	*	.	H	α-helix	trans	-64.9	-40.8	178.5	-176.5	56.4	67.1	0	0	111.9	E138 N139 K140 K145 T146	E138-Q142 PolarHBondContact O-N 3Å; E138-Q142 VanDerWaalsContact O-N 3.14Å; N139-Q142 PolarHBondContact O-N 3.18Å; K140-Q142 VanDerWaalsContact C-N 3.33Å; K140-Q142 PolarHBondContact O-N 3.22Å; Q142-K145 PolarHBondContact O-N 3.42Å; Q142-T146 PolarHBondContact O-N 3.19Å; Q142-T146 PolarHBondContact O-OG1 2.76Å; Q142-T146 VanDerWaalsContact O-OG1 3.05Å
143	F	97.6	Very high	97.4	Very high	25 Å²	25	55.3 Å²	55.3	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-41.7	-179.6	-165.8	-125.8	0	0	0	112.5	F53 A57 E106 N139 K140 K145 T146 I147	F53-F143 HydrophobicContact CE2-CE2 4.38Å; F53-F143 AromaticContact CZ-CE2 3.94Å; F53-F143 HydrophobicContact CZ-CE2 3.94Å; F53-F143 HydrophobicContact CZ-CZ 4.03Å; A57-F143 HydrophobicContact CB-CZ 4.16Å; E106-F143 HydrophobicContact CG-CD1 3.64Å; E106-F143 HydrophobicContact CG-CE1 3.89Å; N139-F143 WeakPolarHBondContact O-CB 3.43Å; N139-F143 PolarHBondContact O-N 3.06Å; K140-F143 PolarHBondContact O-N 2.99Å; F143-K145 VanDerWaalsContact C-N 3.26Å; F143-K145 PolarHBondContact O-N 3.3Å; F143-T146 WeakPolarHBondContact O-CB 3.49Å; F143-T146 PolarHBondContact O-N 3.44Å; F143-T146 VanDerWaalsContact O-N 3.13Å; F143-I147 HydrophobicContact CD1-CD1 3.84Å; F143-I147 HydrophobicContact CE1-CD1 3.49Å; F143-I147 VanDerWaalsContact CE1-CD1 3.49Å; F143-I147 HydrophobicContact CE1-CG1 4.34Å; F143-I147 HydrophobicContact CE2-CD1 4.41Å; F143-I147 HydrophobicContact CE2-CG1 4.42Å; F143-I147 HydrophobicContact CG-CD1 4.43Å; F143-I147 HydrophobicContact CZ-CD1 3.8Å; F143-I147 HydrophobicContact CZ-CG1 4.25Å; F143-I147 PolarHBondContact O-N 3.12Å
144	I	98.7	Very high	97.3	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-44.5	172.3	-73	166.8	0	0	0	110.7	L103 E106 K107 Y110 K140 A148	L103-I144 HydrophobicContact CD1-CG2 4.01Å; E106-I144 HydrophobicContact CB-CD1 4.37Å; E106-I144 HydrophobicContact CB-CG1 3.62Å; K107-I144 HydrophobicContact CG-CD1 4.24Å; K107-I144 HydrophobicContact CG-CG2 4.38Å; Y110-I144 HydrophobicContact CD2-CD1 4.48Å; Y110-I144 HydrophobicContact CG-CD1 4.16Å; K140-I144 WeakPolarHBondContact O-CB 3.4Å; K140-I144 WeakPolarHBondContact O-CD1 3.5Å; K140-I144 WeakPolarHBondContact O-CG1 3.31Å; K140-I144 PolarHBondContact O-N 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.5Å; I144-A148 PolarHBondContact O-N 2.92Å
145	K	98.5	Very high	97.3	Very high	107 Å²	107	52.6 Å²	52.6	47%	0.465	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-46	177.3	178.2	59.5	170.6	72.5	0	111.9	E141 Q142 F143 A148 D149	E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 VanDerWaalsContact O-N 3.11Å; Q142-K145 PolarHBondContact O-N 3.42Å; F143-K145 VanDerWaalsContact C-N 3.26Å; F143-K145 PolarHBondContact O-N 3.3Å; K145-A148 PolarHBondContact O-N 3.47Å; K145-D149 IonicContact NZ-OD1 2.65Å; K145-D149 PolarHBondContact NZ-OD1 2.88Å; K145-D149 IonicContact NZ-OD2 2.66Å; K145-D149 PolarHBondContact NZ-OD2 3.12Å; K145-D149 PolarHBondContact O-N 3.08Å
146	T	97.9	Very high	97.4	Very high	33 Å²	33	58.3 Å²	58.3	20%	0.202	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-48.9	177.5	-61.7	0	0	0	0	111.8	Q142 F143 A148 D149 Y150	Q142-T146 PolarHBondContact O-N 3.19Å; Q142-T146 PolarHBondContact O-OG1 2.76Å; Q142-T146 VanDerWaalsContact O-OG1 3.05Å; F143-T146 WeakPolarHBondContact O-CB 3.49Å; F143-T146 PolarHBondContact O-N 3.44Å; F143-T146 VanDerWaalsContact O-N 3.13Å; T146-A148 VanDerWaalsContact C-N 3.32Å; T146-A148 PolarHBondContact O-N 3Å; T146-D149 WeakPolarHBondContact O-CB 3.47Å; T146-D149 PolarHBondContact O-N 3.43Å; T146-Y150 HydrophobicContact CG2-CD2 4.15Å; T146-Y150 HydrophobicContact CG2-CE1 4.17Å; T146-Y150 HydrophobicContact CG2-CE2 3.66Å; T146-Y150 PolarHBondContact O-N 2.87Å
147	I	98	Very high	97.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-41.7	178.8	-69.6	177.6	0	0	0	110.8	F99 A102 L103 E106 F143 D149 Y150 L151	F99-I147 HydrophobicContact CD1-CG2 4.17Å; F99-I147 WeakPolarHBondContact O-CG2 3.28Å; A102-I147 HydrophobicContact CB-CD1 4.01Å; A102-I147 HydrophobicContact CB-CG2 4.47Å; L103-I147 HydrophobicContact CB-CG2 3.6Å; L103-I147 HydrophobicContact CD1-CB 4.3Å; L103-I147 HydrophobicContact CD1-CG2 3.95Å; L103-I147 HydrophobicContact CG-CG2 4.28Å; E106-I147 HydrophobicContact CG-CD1 3.78Å; F143-I147 HydrophobicContact CD1-CD1 3.84Å; F143-I147 HydrophobicContact CE1-CD1 3.49Å; F143-I147 VanDerWaalsContact CE1-CD1 3.49Å; F143-I147 HydrophobicContact CE1-CG1 4.34Å; F143-I147 HydrophobicContact CE2-CD1 4.41Å; F143-I147 HydrophobicContact CE2-CG1 4.42Å; F143-I147 HydrophobicContact CG-CD1 4.43Å; F143-I147 HydrophobicContact CZ-CD1 3.8Å; F143-I147 HydrophobicContact CZ-CG1 4.25Å; F143-I147 PolarHBondContact O-N 3.12Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 3.3Å; I147-Y150 PolarHBondContact O-N 2.94Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 PolarHBondContact O-N 3.39Å
148	A	98.6	Very high	97	Very high	31 Å²	31	62 Å²	62	26%	0.256	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-37.6	177.5	0	0	0	0	0	112.6	L103 I144 K145 T146 T152	L103-A148 HydrophobicContact CD1-CB 4.31Å; L103-A148 HydrophobicContact CD2-CB 4.46Å; I144-A148 WeakPolarHBondContact O-CB 3.5Å; I144-A148 PolarHBondContact O-N 2.92Å; K145-A148 PolarHBondContact O-N 3.47Å; T146-A148 VanDerWaalsContact C-N 3.32Å; T146-A148 PolarHBondContact O-N 3Å; A148-T152 PolarHBondContact O-N 2.89Å; A148-T152 VanDerWaalsContact O-N 3.07Å; A148-T152 PolarHBondContact O-OG1 3.03Å
149	D	98.4	Very high	96.9	Very high	65 Å²	65	62.3 Å²	62.3	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-40.1	174.1	-71.9	-19.2	0	0	0	111.9	K145 T146 I147 T152 Q153	K145-D149 IonicContact NZ-OD1 2.65Å; K145-D149 PolarHBondContact NZ-OD1 2.88Å; K145-D149 IonicContact NZ-OD2 2.66Å; K145-D149 PolarHBondContact NZ-OD2 3.12Å; K145-D149 PolarHBondContact O-N 3.08Å; T146-D149 WeakPolarHBondContact O-CB 3.47Å; T146-D149 PolarHBondContact O-N 3.43Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 3.3Å; D149-T152 PolarHBondContact O-N 3.37Å; D149-Q153 WeakPolarHBondContact O-CG 3.38Å; D149-Q153 PolarHBondContact O-N 3.47Å; D149-Q153 PolarHBondContact O-NE2 3.43Å
150	Y	98	Very high	96.8	Very high	42 Å²	42	67 Å²	67	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-46.3	177	-72.4	-5	0	0	0	111.8	F53 F99 T146 I147 T152 Q153 I154 F166 T170 L171	F53-Y150 HydrophobicContact CD2-CE2 4.42Å; F53-Y150 HydrophobicContact CE2-CD2 4.44Å; F53-Y150 AromaticContact CE2-CE2 3.8Å; F53-Y150 HydrophobicContact CE2-CE2 3.8Å; F53-Y150 HydrophobicContact CZ-CD2 4.41Å; F53-Y150 HydrophobicContact CZ-CE2 4.19Å; F99-Y150 HydrophobicContact CD1-CD2 4.37Å; F99-Y150 AromaticContact CE1-CD2 3.61Å; F99-Y150 HydrophobicContact CE1-CD2 3.61Å; F99-Y150 HydrophobicContact CE1-CG 4.33Å; F99-Y150 HydrophobicContact CZ-CD2 4.14Å; T146-Y150 HydrophobicContact CG2-CD2 4.15Å; T146-Y150 HydrophobicContact CG2-CE1 4.17Å; T146-Y150 HydrophobicContact CG2-CE2 3.66Å; T146-Y150 PolarHBondContact O-N 2.87Å; I147-Y150 PolarHBondContact O-N 2.94Å; Y150-T152 VanDerWaalsContact C-N 3.28Å; Y150-T152 PolarHBondContact O-N 2.9Å; Y150-Q153 WeakPolarHBondContact O-CB 3.38Å; Y150-Q153 PolarHBondContact O-N 3.41Å; Y150-I154 WeakPolarHBondContact O-CG1 3.23Å; Y150-I154 PolarHBondContact O-N 3.44Å; Y150-F166 HydrophobicContact CD1-CE2 4.17Å; Y150-F166 HydrophobicContact CD1-CZ 4.2Å; Y150-F166 HydrophobicContact CD2-CZ 4.24Å; Y150-F166 HydrophobicContact CG-CE2 4.17Å; Y150-F166 AromaticContact CG-CZ 3.8Å; Y150-F166 HydrophobicContact CG-CZ 3.8Å; Y150-T170 HydrophobicContact CD1-CG2 3.81Å; Y150-T170 HydrophobicContact CE1-CG2 3.51Å; Y150-L171 HydrophobicContact CD2-CD2 4.11Å; Y150-L171 HydrophobicContact CE2-CD2 3.81Å
151	L	97.5	Very high	96.8	Very high	19 Å²	19	72.6 Å²	72.6	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-43.3	175.9	-174.5	62.3	0	0	0	111.4	E96 F99 E100 L103 I147 Q153 I154 Q155	E96-L151 HydrophobicContact CG-CD1 3.83Å; F99-L151 HydrophobicContact CB-CD1 4.15Å; E100-L151 HydrophobicContact CG-CD1 3.66Å; E100-L151 HydrophobicContact CG-CD2 3.9Å; E100-L151 HydrophobicContact CG-CG 4.44Å; L103-L151 HydrophobicContact CD2-CD2 3.97Å; I147-L151 WeakPolarHBondContact O-CB 3.38Å; I147-L151 PolarHBondContact O-N 3.39Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.39Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-Q155 WeakPolarHBondContact O-CB 3.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.23Å; L151-Q155 PolarHBondContact O-N 3.44Å
152	T	98.3	Very high	96.7	Very high	68 Å²	68	67.9 Å²	67.9	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-37.9	175.5	-57.6	0	0	0	0	112.4	A148 D149 Y150 R156	A148-T152 PolarHBondContact O-N 2.89Å; A148-T152 VanDerWaalsContact O-N 3.07Å; A148-T152 PolarHBondContact O-OG1 3.03Å; D149-T152 PolarHBondContact O-N 3.37Å; Y150-T152 VanDerWaalsContact C-N 3.28Å; Y150-T152 PolarHBondContact O-N 2.9Å; T152-R156 WeakPolarHBondContact O-CB 3.24Å; T152-R156 PolarHBondContact O-N 3.16Å; T152-R156 VanDerWaalsContact O-N 3.11Å
153	Q	97.6	Very high	96.7	Very high	60 Å²	60	62.8 Å²	62.8	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-70.9	-43.6	177.5	-75.6	174.5	69	0	0	112.3	D149 Y150 L151 Q155 R156 N157 F166 T170	D149-Q153 WeakPolarHBondContact O-CG 3.38Å; D149-Q153 PolarHBondContact O-N 3.47Å; D149-Q153 PolarHBondContact O-NE2 3.43Å; Y150-Q153 WeakPolarHBondContact O-CB 3.38Å; Y150-Q153 PolarHBondContact O-N 3.41Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.39Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q153-Q155 PolarHBondContact O-N 2.87Å; Q153-R156 PolarHBondContact O-N 3.33Å; Q153-N157 WeakPolarHBondContact O-CB 3.45Å; Q153-N157 PolarHBondContact O-N 3.24Å; Q153-N157 PolarHBondContact O-ND2 3.35Å; Q153-F166 HydrophobicContact CB-CD2 3.88Å; Q153-F166 HydrophobicContact CB-CE2 3.94Å; Q153-T170 PolarHBondContact OE1-OG1 2.9Å
154	I	97.2	Very high	96.6	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-51	176.4	-68.1	162.2	0	0	0	109.6	L95 E96 F99 Y150 L151 R156 N157 G158 F166	L95-I154 HydrophobicContact CB-CD1 4.2Å; L95-I154 HydrophobicContact CB-CG2 4.41Å; E96-I154 HydrophobicContact CB-CG2 3.86Å; E96-I154 HydrophobicContact CG-CG2 4.48Å; F99-I154 HydrophobicContact CB-CD1 4.09Å; F99-I154 HydrophobicContact CD2-CD1 3.32Å; F99-I154 HydrophobicContact CE2-CD1 3.91Å; F99-I154 HydrophobicContact CG-CD1 3.76Å; Y150-I154 WeakPolarHBondContact O-CG1 3.23Å; Y150-I154 PolarHBondContact O-N 3.44Å; L151-I154 PolarHBondContact O-N 2.91Å; I154-R156 VanDerWaalsContact C-N 3.29Å; I154-R156 PolarHBondContact O-N 2.93Å; I154-N157 PolarHBondContact O-N 2.89Å; I154-G158 PolarHBondContact O-N 3.22Å; I154-F166 HydrophobicContact CD1-CD1 4.17Å; I154-F166 HydrophobicContact CD1-CE1 3.77Å; I154-F166 HydrophobicContact CD1-CE2 4.39Å; I154-F166 HydrophobicContact CD1-CZ 3.9Å; I154-F166 HydrophobicContact CG1-CD1 3.71Å; I154-F166 HydrophobicContact CG1-CD2 3.84Å; I154-F166 HydrophobicContact CG1-CE1 3.76Å; I154-F166 HydrophobicContact CG1-CE2 3.88Å; I154-F166 HydrophobicContact CG1-CG 3.76Å; I154-F166 HydrophobicContact CG1-CZ 3.86Å
155	Q	96.6	Very high	96.5	Very high	96 Å²	96	69.7 Å²	69.7	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-38.1	178.1	-74.6	175.9	-16.3	0	0	112.8	E96 L151 Q153	E96-Q155 HydrophobicContact CG-CG 4.26Å; E96-Q155 WeakPolarHBondContact OE1-CG 3.38Å; E96-Q155 PolarHBondContact OE1-NE2 3.24Å; L151-Q155 WeakPolarHBondContact O-CB 3.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.23Å; L151-Q155 PolarHBondContact O-N 3.44Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q153-Q155 PolarHBondContact O-N 2.87Å
156	R	97	Very high	96.4	Very high	197 Å²	197	64.6 Å²	64.6	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-71.4	-36.6	178.7	-173.2	-179.7	-61.5	174.3	3	112.8	T152 Q153 I154	T152-R156 WeakPolarHBondContact O-CB 3.24Å; T152-R156 PolarHBondContact O-N 3.16Å; T152-R156 VanDerWaalsContact O-N 3.11Å; Q153-R156 PolarHBondContact O-N 3.33Å; I154-R156 VanDerWaalsContact C-N 3.29Å; I154-R156 PolarHBondContact O-N 2.93Å
157	N	94.3	Very high	96.3	Very high	74 Å²	74	63.1 Å²	63.1	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-77.8	-25.9	-177.7	-69.2	-12.1	0	0	0	112.1	Q153 I154 G162	Q153-N157 WeakPolarHBondContact O-CB 3.45Å; Q153-N157 PolarHBondContact O-N 3.24Å; Q153-N157 PolarHBondContact O-ND2 3.35Å; I154-N157 PolarHBondContact O-N 2.89Å; N157-G162 WeakPolarHBondContact O-CA 3.5Å
158	G	92.6	Very high	96.2	Very high	32 Å²	32	66.1 Å²	66.1	33%	0.33	32%	0.323	S	S	.	.			trans	77.1	-174.4	-177.3	0	0	0	0	0	113	I154 G162 E163	I154-G158 PolarHBondContact O-N 3.22Å; G158-G162 CarbonylContact O-C 3.47Å; G158-G162 WeakPolarHBondContact O-CA 3.4Å; G158-E163 PolarHBondContact O-N 2.87Å
159	K	92.6	Very high	96.1	Very high	132 Å²	132	71.2 Å²	71.2	57%	0.574	35%	0.345	S	S	*	.	S	Bend	trans	-79.4	167.3	-172.1	-56.5	-151	177.8	-150.5	0	113.6	D94 L161 G162	D94-K159 IonicContact OD2-NZ 3.22Å; D94-K159 PolarHBondContact OD2-NZ 3.07Å; K159-L161 PolarHBondContact O-N 2.62Å; K159-G162 PolarHBondContact O-N 2.66Å
160	Q	92.2	Very high	96	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-100.3	173.5	-57.8	175.2	22.8	0	0	112.6	G162 E163 Y164	Q160-G162 PolarHBondContact O-N 3.48Å; Q160-E163 PolarHBondContact N-OE2 3.07Å; Q160-E163 WeakPolarHBondContact O-CB 3.3Å; Q160-E163 PolarHBondContact O-N 3.36Å; Q160-E163 VanDerWaalsContact O-N 3.16Å; Q160-Y164 PolarHBondContact O-N 3.02Å
161	L	95.9	Very high	95.9	Very high	120 Å²	120	67.8 Å²	67.8	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-59	-35.4	179	-179.1	61.2	0	0	0	111.4	K159 Y164 L165	K159-L161 PolarHBondContact O-N 2.62Å; L161-Y164 HydrophobicContact CD1-CD1 4.31Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.19Å; L161-L165 HydrophobicContact CG-CD1 4.06Å; L161-L165 HydrophobicContact CG-CG 4.39Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.02Å
162	G	96.5	Very high	95.2	Very high	6 Å²	6	75.1 Å²	75.1	6%	0.062	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-40.9	177.6	0	0	0	0	0	113.3	N157 G158 K159 Q160 L165 F166	N157-G162 WeakPolarHBondContact O-CA 3.5Å; G158-G162 CarbonylContact O-C 3.47Å; G158-G162 WeakPolarHBondContact O-CA 3.4Å; K159-G162 PolarHBondContact O-N 2.66Å; Q160-G162 PolarHBondContact O-N 3.48Å; G162-L165 PolarHBondContact O-N 2.86Å; G162-F166 WeakPolarHBondContact O-CB 3.36Å; G162-F166 PolarHBondContact O-N 2.82Å
163	E	96	Very high	93.4	Very high	17 Å²	17	80.7 Å²	80.7	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-45.8	175.1	-70.1	176.1	113.4	0	0	111.5	F47 D94 L95 G158 Q160 L165 F166 E167	F47-E163 HydrophobicContact CE1-CB 3.96Å; F47-E163 HydrophobicContact CZ-CB 4Å; D94-E163 VanDerWaalsContact CB-OE1 3.27Å; D94-E163 WeakPolarHBondContact CB-OE1 3.46Å; L95-E163 HydrophobicContact CB-CG 4.47Å; L95-E163 HydrophobicContact CD1-CB 3.76Å; L95-E163 HydrophobicContact CD1-CG 4.12Å; L95-E163 PolarHBondContact N-OE1 3.26Å; L95-E163 VanDerWaalsContact N-OE1 3.12Å; G158-E163 PolarHBondContact O-N 2.87Å; Q160-E163 PolarHBondContact N-OE2 3.07Å; Q160-E163 WeakPolarHBondContact O-CB 3.3Å; Q160-E163 PolarHBondContact O-N 3.36Å; Q160-E163 VanDerWaalsContact O-N 3.16Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.65Å; E163-F166 PolarHBondContact O-N 2.87Å; E163-E167 WeakPolarHBondContact O-CB 3.21Å; E163-E167 PolarHBondContact O-N 3.33Å
164	Y	96	Very high	93.2	Very high	125 Å²	125	81.8 Å²	81.8	49%	0.49	39%	0.388	S	S	.	.	H	α-helix	trans	-57.5	-46.5	174.3	175.4	-100.3	0	0	0	111.3	Q160 L161 E167 Q168	Q160-Y164 PolarHBondContact O-N 3.02Å; L161-Y164 HydrophobicContact CD1-CD1 4.31Å; Y164-E167 PolarHBondContact O-N 3.38Å; Y164-Q168 HydrophobicContact CD1-CG 4.42Å; Y164-Q168 HydrophobicContact CD2-CG 4.18Å; Y164-Q168 HydrophobicContact CE1-CG 4.05Å; Y164-Q168 HydrophobicContact CE2-CG 3.79Å; Y164-Q168 HydrophobicContact CG-CG 4.48Å; Y164-Q168 WeakPolarHBondContact O-CB 3.42Å; Y164-Q168 VanDerWaalsContact O-CG 3.23Å; Y164-Q168 WeakPolarHBondContact O-CG 3.4Å; Y164-Q168 PolarHBondContact O-N 3.25Å
165	L	96.7	Very high	93	Very high	73 Å²	73	85.8 Å²	85.8	38%	0.382	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.9	-71.1	173.4	0	0	0	112.3	L161 G162 E163 Q168 L169	L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.19Å; L161-L165 HydrophobicContact CG-CD1 4.06Å; L161-L165 HydrophobicContact CG-CG 4.39Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.02Å; G162-L165 PolarHBondContact O-N 2.86Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.65Å; L165-Q168 PolarHBondContact O-N 3.49Å; L165-L169 HydrophobicContact CB-CD1 4.45Å; L165-L169 HydrophobicContact CD2-CD1 4.2Å; L165-L169 VanDerWaalsContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CB 3.33Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.05Å
166	F	97.1	Very high	92.8	Very high	0 Å²	0	85.3 Å²	85.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-59.4	-50.7	174.9	171	-95	0	0	0	111	L95 F99 Y150 Q153 I154 G162 E163 Q168 T170 L171	L95-F166 HydrophobicContact CD1-CD1 4.03Å; F99-F166 HydrophobicContact CE2-CE1 4.11Å; F99-F166 HydrophobicContact CZ-CE1 4.36Å; Y150-F166 HydrophobicContact CD1-CE2 4.17Å; Y150-F166 HydrophobicContact CD1-CZ 4.2Å; Y150-F166 HydrophobicContact CD2-CZ 4.24Å; Y150-F166 HydrophobicContact CG-CE2 4.17Å; Y150-F166 AromaticContact CG-CZ 3.8Å; Y150-F166 HydrophobicContact CG-CZ 3.8Å; Q153-F166 HydrophobicContact CB-CD2 3.88Å; Q153-F166 HydrophobicContact CB-CE2 3.94Å; I154-F166 HydrophobicContact CD1-CD1 4.17Å; I154-F166 HydrophobicContact CD1-CE1 3.77Å; I154-F166 HydrophobicContact CD1-CE2 4.39Å; I154-F166 HydrophobicContact CD1-CZ 3.9Å; I154-F166 HydrophobicContact CG1-CD1 3.71Å; I154-F166 HydrophobicContact CG1-CD2 3.84Å; I154-F166 HydrophobicContact CG1-CE1 3.76Å; I154-F166 HydrophobicContact CG1-CE2 3.88Å; I154-F166 HydrophobicContact CG1-CG 3.76Å; I154-F166 HydrophobicContact CG1-CZ 3.86Å; G162-F166 WeakPolarHBondContact O-CB 3.36Å; G162-F166 PolarHBondContact O-N 2.82Å; E163-F166 PolarHBondContact O-N 2.87Å; F166-Q168 VanDerWaalsContact C-N 3.32Å; F166-Q168 PolarHBondContact O-N 3.01Å; F166-T170 HydrophobicContact CD2-CG2 4.19Å; F166-T170 HydrophobicContact CE2-CG2 3.66Å; F166-T170 HydrophobicContact CZ-CG2 4.22Å; F166-T170 WeakPolarHBondContact O-CA 3.47Å; F166-T170 VanDerWaalsContact O-CB 3.24Å; F166-T170 WeakPolarHBondContact O-CB 3.22Å; F166-T170 PolarHBondContact O-N 3.21Å; F166-L171 HydrophobicContact CD1-CD1 4.5Å; F166-L171 HydrophobicContact CD1-CG 4.37Å; F166-L171 HydrophobicContact CE1-CD1 3.93Å; F166-L171 HydrophobicContact CE1-CD2 3.86Å; F166-L171 HydrophobicContact CE1-CG 3.73Å; F166-L171 HydrophobicContact CZ-CD2 3.91Å; F166-L171 HydrophobicContact CZ-CG 4.19Å; F166-L171 PolarHBondContact O-N 3.31Å
167	E	95.8	Very high	92.6	Very high	3 Å²	3	78.7 Å²	78.7	1%	0.014	39%	0.386	C	S	.	.	H	α-helix	trans	-56.9	-49.1	177.5	-175.6	-160.1	-176.1	0	0	110.5	F47 P48 K49 E163 Y164 L171	F47-E167 WeakPolarHBondContact CA-OE1 3.4Å; F47-E167 HydrophobicContact CD1-CB 4.08Å; F47-E167 HydrophobicContact CD1-CG 4.21Å; F47-E167 WeakPolarHBondContact CD1-OE2 3.32Å; P48-E167 WeakPolarHBondContact CD-OE1 3.5Å; P48-E167 WeakPolarHBondContact CG-OE1 3.34Å; K49-E167 HydrophobicContact CB-CG 3.72Å; K49-E167 HydrophobicContact CD-CG 4.32Å; K49-E167 WeakPolarHBondContact CD-O 3.49Å; K49-E167 HydrophobicContact CG-CG 4.34Å; K49-E167 PolarHBondContact N-OE1 3.45Å; E163-E167 WeakPolarHBondContact O-CB 3.21Å; E163-E167 PolarHBondContact O-N 3.33Å; Y164-E167 PolarHBondContact O-N 3.38Å; E167-L171 HydrophobicContact CG-CD1 4.4Å
168	Q	95.6	Very high	92.5	Very high	63 Å²	63	79 Å²	79	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-70.9	-36.4	-173.7	-69.4	-53.5	-40.5	0	0	113.8	K49 Y164 L165 F166	K49-Q168 PolarHBondContact NZ-O 3.41Å; Y164-Q168 HydrophobicContact CD1-CG 4.42Å; Y164-Q168 HydrophobicContact CD2-CG 4.18Å; Y164-Q168 HydrophobicContact CE1-CG 4.05Å; Y164-Q168 HydrophobicContact CE2-CG 3.79Å; Y164-Q168 HydrophobicContact CG-CG 4.48Å; Y164-Q168 WeakPolarHBondContact O-CB 3.42Å; Y164-Q168 VanDerWaalsContact O-CG 3.23Å; Y164-Q168 WeakPolarHBondContact O-CG 3.4Å; Y164-Q168 PolarHBondContact O-N 3.25Å; L165-Q168 PolarHBondContact O-N 3.49Å; F166-Q168 VanDerWaalsContact C-N 3.32Å; F166-Q168 PolarHBondContact O-N 3.01Å
169	L	96.1	Very high	92.5	Very high	138 Å²	138	82.1 Å²	82.1	72%	0.723	39%	0.389	S	S	*	.	H	α-helix	trans	-102.9	-24.2	-169.5	-57.2	178.6	0	0	0	113.8	L165	L165-L169 HydrophobicContact CB-CD1 4.45Å; L165-L169 HydrophobicContact CD2-CD1 4.2Å; L165-L169 VanDerWaalsContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CB 3.33Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.05Å
170	T	96.4	Very high	92.5	Very high	30 Å²	30	78.6 Å²	78.6	18%	0.184	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-47.3	-175.3	-58.1	0	0	0	0	112.3	Y150 Q153 F166 K172	Y150-T170 HydrophobicContact CD1-CG2 3.81Å; Y150-T170 HydrophobicContact CE1-CG2 3.51Å; Q153-T170 PolarHBondContact OE1-OG1 2.9Å; F166-T170 HydrophobicContact CD2-CG2 4.19Å; F166-T170 HydrophobicContact CE2-CG2 3.66Å; F166-T170 HydrophobicContact CZ-CG2 4.22Å; F166-T170 WeakPolarHBondContact O-CA 3.47Å; F166-T170 VanDerWaalsContact O-CB 3.24Å; F166-T170 WeakPolarHBondContact O-CB 3.22Å; F166-T170 PolarHBondContact O-N 3.21Å; T170-K172 PolarHBondContact O-N 3.2Å
171	L	95.9	Very high	92.5	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.021	35%	0.346	C	S	.	.	S	Bend	trans	-72.6	128.2	179.4	-60.4	-176.7	0	0	0	110.2	K49 A50 F53 F99 Y150 F166 E167	K49-L171 HydrophobicContact CB-CB 3.9Å; K49-L171 HydrophobicContact CB-CD1 4.5Å; A50-L171 HydrophobicContact CB-CD1 3.87Å; F53-L171 HydrophobicContact CD2-CD2 4.25Å; F53-L171 HydrophobicContact CG-CD2 4.33Å; F99-L171 HydrophobicContact CZ-CD2 4.22Å; Y150-L171 HydrophobicContact CD2-CD2 4.11Å; Y150-L171 HydrophobicContact CE2-CD2 3.81Å; F166-L171 HydrophobicContact CD1-CD1 4.5Å; F166-L171 HydrophobicContact CD1-CG 4.37Å; F166-L171 HydrophobicContact CE1-CD1 3.93Å; F166-L171 HydrophobicContact CE1-CD2 3.86Å; F166-L171 HydrophobicContact CE1-CG 3.73Å; F166-L171 HydrophobicContact CZ-CD2 3.91Å; F166-L171 HydrophobicContact CZ-CG 4.19Å; F166-L171 PolarHBondContact O-N 3.31Å; E167-L171 HydrophobicContact CG-CD1 4.4Å
172	K	83.8	Confident	92.2	Very high	173 Å²	173	68.2 Å²	68.2	75%	0.752	32%	0.323	S	S	*	.			trans	-99.1	141.5	-179.7	-63.5	-177.8	-178.6	176.1	0	110.3	T170	T170-K172 PolarHBondContact O-N 3.2Å
173	E	60.8	Low	91.8	Very high	186 Å²	186	73.8 Å²	73.8	87%	0.869	35%	0.346	S	S	*	.			trans	-63.6	0	168.4	-72.2	178.5	-171.5	0	0	113.4	K56	K56-E173 WeakPolarHBondContact CE-OXT 3.24Å; K56-E173 PolarHBondContact NZ-O 3.11Å; K56-E173 PolarHBondContact NZ-OXT 3.48Å

Retrieved 173 of 173 residues in 256.3 ms (Link to these results)

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