A0A5K4EDQ5_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 A0A5K4EDQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 aa.

						>A0A5K4EDQ5_SCHMA|A0A5K4EDQ5
MIKTSRARQNFATECENAINKQINVELQAAYDYMAFFTYFDRDDVSFPKAAEFFRKASHEEREHAEKLAKYQNKRGGRIEFMDLRAAQKTELNDLEEAFEIALSSEKSIYQVD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	85.6	Confident	241 Å²	241	128.5 Å²	128.5	100%	1.187	63%	0.63	S	S	*	*				0	116.8	0	-89.9	-179.8	-179.2	0	0	108.8	K3	M1-K3 PolarHBondContact O-N 3.26Å
2	I	65.8	Low	86.5	Confident	149 Å²	149	121.5 Å²	121.5	76%	0.764	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-65.2	119	165.7	-65.1	167.9	0	0	0	106.3	T4	I2-T4 PolarHBondContact O-N 3.2Å
3	K	77.6	Confident	87.2	Confident	186 Å²	186	118.2 Å²	118.2	81%	0.809	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-63.9	118.9	175.3	-82.6	179.6	176	174.8	0	108.5	M1 R78	M1-K3 PolarHBondContact O-N 3.26Å; K3-R78 PolarHBondContact O-NH2 2.99Å
4	T	85.3	Confident	87.9	Confident	110 Å²	110	119.6 Å²	119.6	68%	0.675	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.4	169.7	-51.3	0	0	0	0	109.2	I2 R8	I2-T4 PolarHBondContact O-N 3.2Å; T4-R8 HydrophobicContact CG2-CB 4.16Å
5	S	93.5	Very high	88.5	Confident	35 Å²	35	115.9 Å²	115.9	25%	0.245	59%	0.59	C	S	.	*	P	Polyproline II helix	trans	-64.3	140.7	176.8	-179.4	0	0	0	0	110.6	A7 R8 G76	S5-A7 PolarHBondContact O-N 3.18Å; S5-A7 PolarHBondContact OG-N 2.92Å; S5-R8 WeakPolarHBondContact O-CB 3.27Å; S5-R8 PolarHBondContact O-N 3.12Å; S5-R8 VanDerWaalsContact O-N 3.12Å; S5-G76 VanDerWaalsContact CB-O 3.27Å; S5-G76 WeakPolarHBondContact CB-O 3.37Å
6	R	93.8	Very high	89	Confident	255 Å²	255	110 Å²	110	96%	0.962	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-22.1	171	-65.9	-176.9	179.6	-179.3	-1.2	112.8	R8	R6-R8 VanDerWaalsContact C-N 3.3Å
7	A	92.9	Very high	89.5	Confident	56 Å²	56	108.6 Å²	108.6	46%	0.463	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-8.4	177.2	0	0	0	0	0	113.2	S5 Q9	S5-A7 PolarHBondContact O-N 3.18Å; S5-A7 PolarHBondContact OG-N 2.92Å; A7-Q9 PolarHBondContact O-N 2.86Å
8	R	95.6	Very high	89.9	Confident	65 Å²	65	105.6 Å²	105.6	25%	0.245	55%	0.548	C	S	.	.			trans	-78.4	106.2	-176.3	-166.7	-176.7	-174.4	90.6	-6	110.7	T4 S5 R6 F11 E16 R75	T4-R8 HydrophobicContact CG2-CB 4.16Å; S5-R8 WeakPolarHBondContact O-CB 3.27Å; S5-R8 PolarHBondContact O-N 3.12Å; S5-R8 VanDerWaalsContact O-N 3.12Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R8-F11 HydrophobicContact CG-CB 4.24Å; R8-F11 VanDerWaalsContact CZ-O 3.32Å; R8-F11 PolarHBondContact NE-O 3.27Å; R8-F11 PolarHBondContact NH2-O 3.2Å; R8-E16 IonicContact CZ-OE2 2.59Å; R8-E16 IonicContact NH1-OE1 3.98Å; R8-E16 IonicContact NH1-OE2 3.42Å; R8-E16 PolarHBondContact NH1-OE2 3.44Å; R8-E16 IonicContact NH2-OE2 3.64Å; R8-E16 PolarHBondContact NH2-OE2 3.21Å; R8-R75 WeakPolarHBondContact CA-O 3.42Å
9	Q	95.5	Very high	90.3	Very high	150 Å²	150	101.2 Å²	101.2	70%	0.701	53%	0.525	S	S	*	.	S	Bend	trans	-135.5	127.9	174.3	-172.1	-179.7	15.3	0	0	109.8	A7 F11	A7-Q9 PolarHBondContact O-N 2.86Å; Q9-F11 PolarHBondContact O-N 3.38Å; Q9-F11 VanDerWaalsContact O-N 3.13Å
10	N	95.4	Very high	90.6	Very high	152 Å²	152	96.4 Å²	96.4	81%	0.813	50%	0.5	S	S	*	.	S	Bend	trans	46.4	44.4	178.6	-59.9	-23.6	0	0	0	113.2	R75	N10-R75 PolarHBondContact O-NH2 3.43Å; N10-R75 VanDerWaalsContact O-NH2 3.09Å
11	F	95.9	Very high	90.9	Very high	14 Å²	14	96.4 Å²	96.4	6%	0.061	50%	0.496	C	S	.	.			trans	-116.3	101.7	178.6	-169.8	-139.9	0	0	0	108.6	R8 Q9 C15 E16 I19 Q72 R75	R8-F11 HydrophobicContact CG-CB 4.24Å; R8-F11 VanDerWaalsContact CZ-O 3.32Å; R8-F11 PolarHBondContact NE-O 3.27Å; R8-F11 PolarHBondContact NH2-O 3.2Å; Q9-F11 PolarHBondContact O-N 3.38Å; Q9-F11 VanDerWaalsContact O-N 3.13Å; F11-C15 HydrophobicContact CD2-CB 4.07Å; F11-C15 HydrophobicContact CE2-CB 3.62Å; F11-C15 HydrophobicContact CZ-CB 4.45Å; F11-E16 HydrophobicContact CD1-CB 4.41Å; F11-E16 HydrophobicContact CE1-CB 3.68Å; F11-E16 HydrophobicContact CZ-CB 3.84Å; F11-I19 HydrophobicContact CE2-CD1 4.07Å; F11-I19 HydrophobicContact CZ-CD1 3.86Å; F11-Q72 VanDerWaalsContact CZ-OE1 3.32Å; F11-R75 HydrophobicContact CD1-CB 3.55Å; F11-R75 WeakPolarHBondContact CD1-O 3.41Å; F11-R75 HydrophobicContact CD2-CB 4.06Å; F11-R75 HydrophobicContact CD2-CG 4.37Å; F11-R75 HydrophobicContact CE1-CB 3.57Å; F11-R75 HydrophobicContact CE2-CB 4.07Å; F11-R75 HydrophobicContact CE2-CG 4.24Å; F11-R75 HydrophobicContact CG-CB 3.82Å; F11-R75 HydrophobicContact CZ-CB 3.85Å; F11-R75 HydrophobicContact CZ-CG 4.33Å
12	A	96.4	Very high	93.2	Very high	45 Å²	45	86.7 Å²	86.7	37%	0.372	45%	0.448	S	S	.	.			trans	-65.1	144.4	-177.9	0	0	0	0	0	110.2	E14 C15 E16	A12-E14 WeakPolarHBondContact CB-OE2 3.46Å; A12-E14 PolarHBondContact O-N 2.92Å; A12-C15 PolarHBondContact O-N 3.13Å; A12-E16 PolarHBondContact O-N 3.41Å
13	T	95.7	Very high	94.7	Very high	78 Å²	78	79.7 Å²	79.7	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-34.7	179.8	-57.1	0	0	0	0	110.7	C15 E16 N17	T13-C15 VanDerWaalsContact C-N 3.34Å; T13-C15 PolarHBondContact O-N 2.73Å; T13-E16 WeakPolarHBondContact O-CB 3.42Å; T13-E16 PolarHBondContact O-N 2.61Å; T13-N17 VanDerWaalsContact O-CG 3.23Å; T13-N17 PolarHBondContact O-N 3.19Å; T13-N17 PolarHBondContact O-OD1 3.09Å
14	E	96.9	Very high	95.7	Very high	138 Å²	138	72 Å²	72	65%	0.645	38%	0.38	S	S	*	.	H	α-helix	trans	-60.2	-43	176.8	-60.8	76.5	-170.2	0	0	111.4	A12 N17 A18	A12-E14 WeakPolarHBondContact CB-OE2 3.46Å; A12-E14 PolarHBondContact O-N 2.92Å; E14-N17 PolarHBondContact O-N 3.34Å; E14-A18 WeakPolarHBondContact O-CB 3.48Å; E14-A18 PolarHBondContact O-N 3.41Å
15	C	96.6	Very high	96.2	Very high	64 Å²	64	68.4 Å²	68.4	43%	0.432	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-39.8	176.3	-61.3	0	0	0	0	112	F11 A12 T13 A18 I19	F11-C15 HydrophobicContact CD2-CB 4.07Å; F11-C15 HydrophobicContact CE2-CB 3.62Å; F11-C15 HydrophobicContact CZ-CB 4.45Å; A12-C15 PolarHBondContact O-N 3.13Å; T13-C15 VanDerWaalsContact C-N 3.34Å; T13-C15 PolarHBondContact O-N 2.73Å; C15-A18 PolarHBondContact O-N 3.3Å; C15-I19 WeakPolarHBondContact O-CD1 3.35Å; C15-I19 WeakPolarHBondContact O-CG1 3.35Å; C15-I19 PolarHBondContact O-N 3.2Å
16	E	97.1	Very high	96.4	Very high	22 Å²	22	67.5 Å²	67.5	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-44.9	175.2	149.1	157.3	-129.2	0	0	111.6	R8 F11 A12 T13 I19 N20 Q72 G77 R78	R8-E16 IonicContact CZ-OE2 2.59Å; R8-E16 IonicContact NH1-OE1 3.98Å; R8-E16 IonicContact NH1-OE2 3.42Å; R8-E16 PolarHBondContact NH1-OE2 3.44Å; R8-E16 IonicContact NH2-OE2 3.64Å; R8-E16 PolarHBondContact NH2-OE2 3.21Å; F11-E16 HydrophobicContact CD1-CB 4.41Å; F11-E16 HydrophobicContact CE1-CB 3.68Å; F11-E16 HydrophobicContact CZ-CB 3.84Å; A12-E16 PolarHBondContact O-N 3.41Å; T13-E16 WeakPolarHBondContact O-CB 3.42Å; T13-E16 PolarHBondContact O-N 2.61Å; E16-I19 PolarHBondContact O-N 2.89Å; E16-N20 PolarHBondContact O-N 2.91Å; E16-Q72 PolarHBondContact O-NE2 2.98Å; E16-Q72 PolarHBondContact OE1-NE2 3.21Å; E16-G77 WeakPolarHBondContact OE1-CA 3.32Å; E16-R78 PolarHBondContact OE1-N 3.38Å
17	N	96.9	Very high	96.6	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-42.1	177.6	-67.5	-8.9	0	0	0	111.6	T13 E14 I19 N20 K21	T13-N17 VanDerWaalsContact O-CG 3.23Å; T13-N17 PolarHBondContact O-N 3.19Å; T13-N17 PolarHBondContact O-OD1 3.09Å; E14-N17 PolarHBondContact O-N 3.34Å; N17-I19 PolarHBondContact O-N 2.96Å; N17-N20 PolarHBondContact O-N 2.71Å; N17-K21 PolarHBondContact O-N 2.98Å
18	A	96.4	Very high	96.8	Very high	54 Å²	54	55.5 Å²	55.5	45%	0.446	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-41.4	176.8	0	0	0	0	0	112	E14 C15 K21 Q22	E14-A18 WeakPolarHBondContact O-CB 3.48Å; E14-A18 PolarHBondContact O-N 3.41Å; C15-A18 PolarHBondContact O-N 3.3Å; A18-K21 WeakPolarHBondContact O-CB 3.17Å; A18-K21 PolarHBondContact O-N 3.29Å; A18-Q22 PolarHBondContact O-N 3.1Å
19	I	97.3	Very high	96.9	Very high	22 Å²	22	52.7 Å²	52.7	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-41.1	175.5	-70.3	160.7	0	0	0	111.2	F11 C15 E16 N17 K21 Q22 I23 L68 Y71 Q72	F11-I19 HydrophobicContact CE2-CD1 4.07Å; F11-I19 HydrophobicContact CZ-CD1 3.86Å; C15-I19 WeakPolarHBondContact O-CD1 3.35Å; C15-I19 WeakPolarHBondContact O-CG1 3.35Å; C15-I19 PolarHBondContact O-N 3.2Å; E16-I19 PolarHBondContact O-N 2.89Å; N17-I19 PolarHBondContact O-N 2.96Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.33Å; I19-Q22 PolarHBondContact O-N 3.48Å; I19-I23 HydrophobicContact CG2-CD1 3.9Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 2.96Å; I19-L68 HydrophobicContact CG2-CB 4.32Å; I19-Y71 HydrophobicContact CD1-CD1 3.77Å; I19-Y71 HydrophobicContact CD1-CE1 3.68Å; I19-Q72 HydrophobicContact CG2-CB 3.98Å; I19-Q72 HydrophobicContact CG2-CG 4.41Å
20	N	97.9	Very high	97	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-41.4	174.4	-77.4	-25.9	0	0	0	112.1	E16 N17 I23 N24 R78 I79 E80	E16-N20 PolarHBondContact O-N 2.91Å; N17-N20 PolarHBondContact O-N 2.71Å; N20-I23 PolarHBondContact O-N 2.99Å; N20-N24 PolarHBondContact O-N 3.43Å; N20-R78 PolarHBondContact ND2-O 2.98Å; N20-R78 PolarHBondContact OD1-O 3.46Å; N20-I79 WeakPolarHBondContact OD1-CA 3.44Å; N20-E80 PolarHBondContact OD1-N 2.88Å
21	K	96.6	Very high	97.2	Very high	96 Å²	96	43.1 Å²	43.1	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-48.3	172.7	-173.4	-177.1	177.2	-170.7	0	111.1	N17 A18 I19 I23 N24 V25 V112 D113	N17-K21 PolarHBondContact O-N 2.98Å; A18-K21 WeakPolarHBondContact O-CB 3.17Å; A18-K21 PolarHBondContact O-N 3.29Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.33Å; K21-I23 PolarHBondContact O-N 3.48Å; K21-N24 PolarHBondContact O-N 3.2Å; K21-V25 WeakPolarHBondContact O-CG2 3.1Å; K21-V25 PolarHBondContact O-N 3.01Å; K21-V112 HydrophobicContact CD-CG1 3.85Å; K21-V112 HydrophobicContact CG-CG1 4.24Å; K21-D113 PolarHBondContact NZ-O 2.67Å
22	Q	97.5	Very high	97.3	Very high	37 Å²	37	42.7 Å²	42.7	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-43.4	179.4	-167.3	66.4	18.6	0	0	111.9	A18 I19 N24 V25 E26 L68 I109	A18-Q22 PolarHBondContact O-N 3.1Å; I19-Q22 PolarHBondContact O-N 3.48Å; Q22-N24 PolarHBondContact O-N 3.43Å; Q22-V25 WeakPolarHBondContact O-CA 3.47Å; Q22-V25 WeakPolarHBondContact O-CB 3.45Å; Q22-V25 PolarHBondContact O-N 2.89Å; Q22-E26 HydrophobicContact CG-CG 4.37Å; Q22-E26 PolarHBondContact NE2-OE1 3.42Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.03Å; Q22-L68 HydrophobicContact CB-CD1 3.95Å; Q22-L68 HydrophobicContact CG-CD1 3.49Å; Q22-L68 VanDerWaalsContact CG-CD1 3.49Å; Q22-I109 PolarHBondContact NE2-O 3.23Å
23	I	98	Very high	97.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-52.6	-44.2	175.3	-71.7	163.6	0	0	0	110.7	I19 N20 K21 E26 L27 A65 L68 A69 I79 F81	I19-I23 HydrophobicContact CG2-CD1 3.9Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 2.96Å; N20-I23 PolarHBondContact O-N 2.99Å; K21-I23 PolarHBondContact O-N 3.48Å; I23-E26 PolarHBondContact O-N 3.33Å; I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 WeakPolarHBondContact O-CB 3.43Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.88Å; I23-A65 HydrophobicContact CG2-CB 4.45Å; I23-L68 HydrophobicContact CD1-CB 4.18Å; I23-L68 HydrophobicContact CG1-CB 3.54Å; I23-L68 HydrophobicContact CG1-CD1 4.33Å; I23-A69 HydrophobicContact CD1-CB 4.09Å; I23-I79 HydrophobicContact CD1-CG1 4.38Å; I23-I79 HydrophobicContact CD1-CG2 4.29Å; I23-F81 HydrophobicContact CG2-CD1 4.46Å; I23-F81 HydrophobicContact CG2-CE1 4.19Å
24	N	97.6	Very high	97.5	Very high	26 Å²	26	41 Å²	41	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-37.1	178.7	-162.6	71.5	0	0	0	113	N20 K21 Q22 L27 Q28 M82	N20-N24 PolarHBondContact O-N 3.43Å; K21-N24 PolarHBondContact O-N 3.2Å; Q22-N24 PolarHBondContact O-N 3.43Å; N24-L27 PolarHBondContact O-N 3.27Å; N24-Q28 WeakPolarHBondContact O-CB 3.34Å; N24-Q28 PolarHBondContact O-N 3.48Å; N24-M82 HydrophobicContact CB-CB 4.46Å; N24-M82 HydrophobicContact CB-CE 3.41Å; N24-M82 VanDerWaalsContact CB-CE 3.41Å; N24-M82 WeakPolarHBondContact OD1-CB 3.44Å; N24-M82 PolarHBondContact OD1-O 3.41Å
25	V	96.7	Very high	97.5	Very high	34 Å²	34	34.8 Å²	34.8	21%	0.206	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-47.1	174.9	169.9	0	0	0	0	110.7	K21 Q22 L27 Q28 A29 I109 V112	K21-V25 WeakPolarHBondContact O-CG2 3.1Å; K21-V25 PolarHBondContact O-N 3.01Å; Q22-V25 WeakPolarHBondContact O-CA 3.47Å; Q22-V25 WeakPolarHBondContact O-CB 3.45Å; Q22-V25 PolarHBondContact O-N 2.89Å; V25-L27 VanDerWaalsContact C-N 3.34Å; V25-L27 PolarHBondContact O-N 3.46Å; V25-Q28 WeakPolarHBondContact O-CB 3.27Å; V25-Q28 PolarHBondContact O-N 3.47Å; V25-A29 PolarHBondContact O-N 3.47Å; V25-I109 HydrophobicContact CG1-CB 4.09Å; V25-I109 HydrophobicContact CG1-CG1 3.65Å; V25-I109 HydrophobicContact CG1-CG2 3.94Å; V25-V112 HydrophobicContact CG1-CG2 4.06Å; V25-V112 HydrophobicContact CG2-CG2 4.05Å
26	E	97.7	Very high	97.6	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-40.2	177.1	-58	-53	170	0	0	111.8	Q22 I23 Q28 A29 A30 E61 H64 A65 L68	Q22-E26 HydrophobicContact CG-CG 4.37Å; Q22-E26 PolarHBondContact NE2-OE1 3.42Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.03Å; I23-E26 PolarHBondContact O-N 3.33Å; E26-Q28 VanDerWaalsContact C-N 3.34Å; E26-Q28 PolarHBondContact O-N 3.07Å; E26-A29 PolarHBondContact O-N 3.19Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.9Å; E26-E61 WeakPolarHBondContact O-CB 3.5Å; E26-E61 VanDerWaalsContact OE2-OE2 3.11Å; E26-H64 HydrophobicContact CB-CB 4.39Å; E26-H64 HydrophobicContact CG-CB 3.93Å; E26-A65 HydrophobicContact CB-CB 3.84Å; E26-L68 HydrophobicContact CG-CD1 3.88Å
27	L	98.2	Very high	97.6	Very high	42 Å²	42	32.9 Å²	32.9	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-36.4	175.7	-71.8	172.4	0	0	0	112.3	I23 N24 V25 A30 Y31 A65 F81 L84	I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 WeakPolarHBondContact O-CB 3.43Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.88Å; N24-L27 PolarHBondContact O-N 3.27Å; V25-L27 VanDerWaalsContact C-N 3.34Å; V25-L27 PolarHBondContact O-N 3.46Å; L27-A30 PolarHBondContact O-N 2.62Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 2.88Å; L27-A65 HydrophobicContact CD2-CB 3.76Å; L27-A65 HydrophobicContact CG-CB 3.76Å; L27-F81 HydrophobicContact CD1-CD1 3.92Å; L27-F81 HydrophobicContact CD1-CE1 4.03Å; L27-L84 HydrophobicContact CB-CD1 4.34Å; L27-L84 HydrophobicContact CB-CD2 3.99Å
28	Q	97.6	Very high	97.7	Very high	17 Å²	17	32.3 Å²	32.3	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-42.8	173.8	-176.4	62.1	54.1	0	0	111.1	N24 V25 E26 Y31 D32 L84 R85	N24-Q28 WeakPolarHBondContact O-CB 3.34Å; N24-Q28 PolarHBondContact O-N 3.48Å; V25-Q28 WeakPolarHBondContact O-CB 3.27Å; V25-Q28 PolarHBondContact O-N 3.47Å; E26-Q28 VanDerWaalsContact C-N 3.34Å; E26-Q28 PolarHBondContact O-N 3.07Å; Q28-Y31 WeakPolarHBondContact O-CB 3.47Å; Q28-Y31 PolarHBondContact O-N 3.4Å; Q28-D32 PolarHBondContact NE2-OD1 3.41Å; Q28-D32 PolarHBondContact NE2-OD2 3.42Å; Q28-D32 WeakPolarHBondContact O-CB 3.5Å; Q28-D32 PolarHBondContact O-N 2.97Å; Q28-L84 HydrophobicContact CB-CD2 4.2Å; Q28-R85 HydrophobicContact CG-CG 4.25Å; Q28-R85 PolarHBondContact NE2-O 3.15Å; Q28-R85 PolarHBondContact OE1-O 3.08Å
29	A	97.3	Very high	97.8	Very high	5 Å²	5	31 Å²	31	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-44.4	176	0	0	0	0	0	111.5	V25 E26 Y31 D32 Y33 E61 I109	V25-A29 PolarHBondContact O-N 3.47Å; E26-A29 PolarHBondContact O-N 3.19Å; A29-Y31 VanDerWaalsContact C-N 3.25Å; A29-Y31 PolarHBondContact O-N 3.49Å; A29-D32 PolarHBondContact O-N 2.82Å; A29-Y33 WeakPolarHBondContact O-CD2 3.4Å; A29-Y33 PolarHBondContact O-N 2.91Å; A29-E61 HydrophobicContact CB-CB 4.19Å; A29-E61 HydrophobicContact CB-CG 3.86Å; A29-I109 HydrophobicContact CB-CD1 3.49Å; A29-I109 VanDerWaalsContact CB-CD1 3.49Å; A29-I109 HydrophobicContact CB-CG1 4.5Å
30	A	98.1	Very high	97.8	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-41.1	173.5	0	0	0	0	0	112.1	E26 L27 M34 S58 E61 R62	E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.9Å; L27-A30 PolarHBondContact O-N 2.62Å; A30-M34 WeakPolarHBondContact O-CB 3.39Å; A30-M34 PolarHBondContact O-N 3.03Å; A30-S58 WeakPolarHBondContact CB-O 3.4Å; A30-S58 WeakPolarHBondContact O-CB 3.25Å; A30-S58 PolarHBondContact O-OG 2.86Å; A30-E61 HydrophobicContact CB-CB 3.94Å; A30-R62 HydrophobicContact CB-CB 4.19Å
31	Y	98.1	Very high	97.8	Very high	94 Å²	94	34.6 Å²	34.6	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-70.1	-43.2	178.4	-175	-128.1	0	0	0	112.5	L27 Q28 A29 M34 A35 R85 A87	L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 2.88Å; Q28-Y31 WeakPolarHBondContact O-CB 3.47Å; Q28-Y31 PolarHBondContact O-N 3.4Å; A29-Y31 VanDerWaalsContact C-N 3.25Å; A29-Y31 PolarHBondContact O-N 3.49Å; Y31-M34 HydrophobicContact CD2-CE 3.72Å; Y31-M34 HydrophobicContact CE2-CE 3.83Å; Y31-M34 WeakPolarHBondContact O-CB 3.44Å; Y31-M34 PolarHBondContact O-N 2.9Å; Y31-A35 PolarHBondContact O-N 3.39Å; Y31-A35 VanDerWaalsContact O-N 3.17Å; Y31-R85 WeakPolarHBondContact CD1-O 3.41Å; Y31-R85 VanDerWaalsContact CE1-O 3.31Å; Y31-R85 WeakPolarHBondContact CE1-O 3.49Å; Y31-A87 HydrophobicContact CD1-CB 4.36Å; Y31-A87 HydrophobicContact CE1-CB 4.07Å
32	D	98	Very high	97.9	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-45.4	176.2	-72	-25.8	0	0	0	110.7	Q28 A29 M34 A35 F36 R85 A87 Q88	Q28-D32 PolarHBondContact NE2-OD1 3.41Å; Q28-D32 PolarHBondContact NE2-OD2 3.42Å; Q28-D32 WeakPolarHBondContact O-CB 3.5Å; Q28-D32 PolarHBondContact O-N 2.97Å; A29-D32 PolarHBondContact O-N 2.82Å; D32-M34 VanDerWaalsContact C-N 3.34Å; D32-M34 PolarHBondContact O-N 3.13Å; D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 2.97Å; D32-F36 PolarHBondContact O-N 3.41Å; D32-R85 IonicContact OD2-NH2 3.86Å; D32-R85 PolarHBondContact OD2-NH2 3.48Å; D32-A87 VanDerWaalsContact OD1-CA 3.24Å; D32-A87 WeakPolarHBondContact OD1-CA 3.33Å; D32-Q88 PolarHBondContact OD1-N 2.9Å
33	Y	98.3	Very high	97.9	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-29.3	175.9	-66.6	-30.1	0	0	0	113.8	A29 A35 F36 F37 F54 A57 E61 A102 E106	A29-Y33 WeakPolarHBondContact O-CD2 3.4Å; A29-Y33 PolarHBondContact O-N 2.91Å; Y33-A35 VanDerWaalsContact C-N 3.3Å; Y33-A35 PolarHBondContact O-N 3.42Å; Y33-F36 HydrophobicContact CD1-CD2 4.18Å; Y33-F36 HydrophobicContact CD1-CE2 4.48Å; Y33-F36 PolarHBondContact O-N 3.22Å; Y33-F37 PolarHBondContact O-N 3.49Å; Y33-F54 AromaticContact CD1-CD1 3.78Å; Y33-F54 HydrophobicContact CD1-CD1 3.78Å; Y33-F54 HydrophobicContact CD1-CE1 4.05Å; Y33-F54 HydrophobicContact CE1-CD1 4.38Å; Y33-F54 HydrophobicContact CE1-CE1 4.25Å; Y33-F54 HydrophobicContact CG-CD1 4.34Å; Y33-A57 HydrophobicContact CD2-CB 3.65Å; Y33-A57 HydrophobicContact CE2-CB 4.06Å; Y33-A57 HydrophobicContact CG-CB 4.06Å; Y33-E61 HydrophobicContact CD2-CG 3.86Å; Y33-E61 HydrophobicContact CE2-CG 3.8Å; Y33-A102 HydrophobicContact CE1-CB 3.71Å; Y33-E106 PolarHBondContact OH-OE1 3.38Å
34	M	98.3	Very high	97.8	Very high	79 Å²	79	44.1 Å²	44.1	39%	0.389	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-40.8	172.1	-171.3	174.6	72.6	0	0	110.8	A30 Y31 D32 F36 F37 T38	A30-M34 WeakPolarHBondContact O-CB 3.39Å; A30-M34 PolarHBondContact O-N 3.03Å; Y31-M34 HydrophobicContact CD2-CE 3.72Å; Y31-M34 HydrophobicContact CE2-CE 3.83Å; Y31-M34 WeakPolarHBondContact O-CB 3.44Å; Y31-M34 PolarHBondContact O-N 2.9Å; D32-M34 VanDerWaalsContact C-N 3.34Å; D32-M34 PolarHBondContact O-N 3.13Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.19Å; M34-F37 PolarHBondContact O-N 2.86Å; M34-T38 WeakPolarHBondContact O-CG2 3.37Å; M34-T38 PolarHBondContact O-N 2.9Å; M34-T38 PolarHBondContact O-OG1 3.26Å
35	A	98	Very high	97.7	Very high	8 Å²	8	44.1 Å²	44.1	7%	0.066	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-42.9	176	0	0	0	0	0	111.7	Y31 D32 Y33 T38 Y39 A87 T90	Y31-A35 PolarHBondContact O-N 3.39Å; Y31-A35 VanDerWaalsContact O-N 3.17Å; D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 2.97Å; Y33-A35 VanDerWaalsContact C-N 3.3Å; Y33-A35 PolarHBondContact O-N 3.42Å; A35-T38 WeakPolarHBondContact CA-OG1 3.44Å; A35-T38 PolarHBondContact O-N 3.01Å; A35-T38 PolarHBondContact O-OG1 3.44Å; A35-Y39 PolarHBondContact O-N 3.05Å; A35-A87 HydrophobicContact CB-CB 3.58Å; A35-T90 HydrophobicContact CB-CG2 4.39Å
36	F	98.3	Very high	97.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-43.7	178.4	-65.1	-2.2	0	0	0	112.1	D32 Y33 M34 T38 Y39 F40 F54 K89 L92 A98 I101	D32-F36 PolarHBondContact O-N 3.41Å; Y33-F36 HydrophobicContact CD1-CD2 4.18Å; Y33-F36 HydrophobicContact CD1-CE2 4.48Å; Y33-F36 PolarHBondContact O-N 3.22Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.19Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 2.9Å; F36-Y39 PolarHBondContact O-N 2.81Å; F36-F40 HydrophobicContact CB-CE2 4.44Å; F36-F40 WeakPolarHBondContact O-CD2 3.43Å; F36-F40 PolarHBondContact O-N 3.28Å; F36-F54 HydrophobicContact CB-CB 4.01Å; F36-F54 HydrophobicContact CB-CD1 3.92Å; F36-F54 HydrophobicContact CB-CD2 3.95Å; F36-F54 HydrophobicContact CB-CE1 4.42Å; F36-F54 HydrophobicContact CB-CE2 4.43Å; F36-F54 HydrophobicContact CB-CG 3.67Å; F36-F54 AromaticContact CD2-CD1 3.78Å; F36-F54 HydrophobicContact CD2-CD1 3.78Å; F36-F54 AromaticContact CD2-CE1 3.56Å; F36-F54 HydrophobicContact CD2-CE1 3.56Å; F36-F54 HydrophobicContact CD2-CE2 4.45Å; F36-F54 HydrophobicContact CD2-CG 4.33Å; F36-F54 AromaticContact CD2-CZ 3.91Å; F36-F54 HydrophobicContact CD2-CZ 3.91Å; F36-F54 HydrophobicContact CE2-CE1 4.34Å; F36-F54 HydrophobicContact CG-CD1 4.38Å; F36-F54 HydrophobicContact CG-CE1 4.49Å; F36-K89 HydrophobicContact CE1-CB 4.23Å; F36-L92 HydrophobicContact CB-CD1 4.43Å; F36-L92 HydrophobicContact CD1-CD1 3.82Å; F36-L92 HydrophobicContact CD1-CD2 4.46Å; F36-L92 HydrophobicContact CE1-CD1 4.28Å; F36-L92 HydrophobicContact CE1-CD2 4.09Å; F36-L92 HydrophobicContact CG-CD1 4.12Å; F36-L92 HydrophobicContact CZ-CD2 4.42Å; F36-A98 HydrophobicContact CD2-CB 4.47Å; F36-I101 HydrophobicContact CE2-CB 4.27Å; F36-I101 HydrophobicContact CE2-CG2 4.09Å; F36-I101 HydrophobicContact CZ-CB 4.04Å; F36-I101 HydrophobicContact CZ-CD1 4.3Å; F36-I101 HydrophobicContact CZ-CG2 3.63Å
37	F	97.3	Very high	97.6	Very high	43 Å²	43	50.3 Å²	50.3	19%	0.189	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-51.4	172.4	149	-117.8	0	0	0	111	Y33 M34 Y39 F40 D41 A51 F54 R55	Y33-F37 PolarHBondContact O-N 3.49Å; M34-F37 PolarHBondContact O-N 2.86Å; F37-Y39 VanDerWaalsContact C-N 3.27Å; F37-Y39 PolarHBondContact O-N 3.44Å; F37-F40 PolarHBondContact O-N 3.46Å; F37-D41 HydrophobicContact CD2-CB 4.33Å; F37-D41 HydrophobicContact CE2-CB 3.95Å; F37-D41 WeakPolarHBondContact O-CB 3.3Å; F37-D41 PolarHBondContact O-N 3.49Å; F37-A51 HydrophobicContact CD2-CB 3.97Å; F37-A51 WeakPolarHBondContact CD2-O 3.26Å; F37-A51 HydrophobicContact CE2-CB 4.48Å; F37-F54 HydrophobicContact CB-CB 4.05Å; F37-R55 HydrophobicContact CB-CB 4.11Å; F37-R55 HydrophobicContact CD1-CB 4.3Å; F37-R55 HydrophobicContact CD1-CG 4.32Å; F37-R55 HydrophobicContact CD2-CB 3.81Å; F37-R55 HydrophobicContact CD2-CG 4.37Å; F37-R55 HydrophobicContact CE1-CG 4.48Å; F37-R55 HydrophobicContact CE2-CB 4.39Å; F37-R55 HydrophobicContact CG-CB 3.77Å; F37-R55 HydrophobicContact CG-CG 4.27Å
38	T	97.9	Very high	97.6	Very high	75 Å²	75	52.6 Å²	52.6	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-29.7	-177.9	54.2	0	0	0	0	113.2	M34 A35 F36 R42	M34-T38 WeakPolarHBondContact O-CG2 3.37Å; M34-T38 PolarHBondContact O-N 2.9Å; M34-T38 PolarHBondContact O-OG1 3.26Å; A35-T38 WeakPolarHBondContact CA-OG1 3.44Å; A35-T38 PolarHBondContact O-N 3.01Å; A35-T38 PolarHBondContact O-OG1 3.44Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 2.9Å; T38-R42 WeakPolarHBondContact O-CG 3.47Å
39	Y	98.2	Very high	97.6	Very high	27 Å²	27	59.1 Å²	59.1	11%	0.106	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-51.3	173.6	173	-98.2	0	0	0	111.3	A35 F36 F37 D41 R42 V45 T90 E91 L92	A35-Y39 PolarHBondContact O-N 3.05Å; F36-Y39 PolarHBondContact O-N 2.81Å; F37-Y39 VanDerWaalsContact C-N 3.27Å; F37-Y39 PolarHBondContact O-N 3.44Å; Y39-D41 VanDerWaalsContact C-N 3.26Å; Y39-D41 PolarHBondContact O-N 2.91Å; Y39-R42 WeakPolarHBondContact O-CB 3.46Å; Y39-R42 WeakPolarHBondContact O-CD 3.43Å; Y39-R42 WeakPolarHBondContact O-CG 3.48Å; Y39-R42 PolarHBondContact O-N 3.5Å; Y39-V45 HydrophobicContact CD1-CG1 4.28Å; Y39-V45 HydrophobicContact CD2-CG2 4.36Å; Y39-V45 HydrophobicContact CE1-CG1 3.78Å; Y39-V45 HydrophobicContact CE1-CG2 4.04Å; Y39-V45 HydrophobicContact CE2-CG2 3.78Å; Y39-T90 WeakPolarHBondContact CD2-O 3.29Å; Y39-E91 WeakPolarHBondContact CE2-OE2 3.46Å; Y39-L92 HydrophobicContact CD1-CB 3.93Å; Y39-L92 HydrophobicContact CD1-CD1 3.58Å; Y39-L92 HydrophobicContact CD1-CG 4.14Å; Y39-L92 HydrophobicContact CE1-CB 3.6Å; Y39-L92 HydrophobicContact CE1-CD1 4.11Å; Y39-L92 HydrophobicContact CE1-CG 4.33Å; Y39-L92 HydrophobicContact CG-CD1 4.14Å; Y39-L92 VanDerWaalsContact CZ-O 3.23Å; Y39-L92 PolarHBondContact OH-O 2.89Å
40	F	98.1	Very high	97.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-70.2	-19.8	-177.2	-71.6	-58.7	0	0	0	114.3	F36 F37 R42 V45 F47 A50 A51 F54 L92 L95 A98	F36-F40 HydrophobicContact CB-CE2 4.44Å; F36-F40 WeakPolarHBondContact O-CD2 3.43Å; F36-F40 PolarHBondContact O-N 3.28Å; F37-F40 PolarHBondContact O-N 3.46Å; F40-R42 VanDerWaalsContact C-N 3.33Å; F40-V45 HydrophobicContact CD1-CG1 3.85Å; F40-F47 HydrophobicContact CB-CB 4.2Å; F40-F47 HydrophobicContact CD1-CB 3.75Å; F40-F47 HydrophobicContact CD1-CD2 4.41Å; F40-F47 HydrophobicContact CD1-CG 4.25Å; F40-F47 HydrophobicContact CG-CB 4.3Å; F40-F47 PolarHBondContact O-N 3.02Å; F40-F47 VanDerWaalsContact O-N 3.09Å; F40-A50 HydrophobicContact CB-CB 4.13Å; F40-A50 HydrophobicContact CD1-CB 4.04Å; F40-A50 HydrophobicContact CD2-CB 3.8Å; F40-A50 HydrophobicContact CE1-CB 4.39Å; F40-A50 HydrophobicContact CE2-CB 4.2Å; F40-A50 HydrophobicContact CG-CB 3.72Å; F40-A50 HydrophobicContact CZ-CB 4.47Å; F40-A51 HydrophobicContact CB-CB 3.89Å; F40-F54 AromaticContact CD2-CD2 3.71Å; F40-F54 HydrophobicContact CD2-CD2 3.71Å; F40-F54 HydrophobicContact CD2-CE2 4.05Å; F40-F54 AromaticContact CE2-CD2 3.66Å; F40-F54 HydrophobicContact CE2-CD2 3.66Å; F40-F54 AromaticContact CE2-CE2 3.5Å; F40-F54 HydrophobicContact CE2-CE2 3.5Å; F40-F54 VanDerWaalsContact CE2-CE2 3.5Å; F40-F54 HydrophobicContact CZ-CE2 4.45Å; F40-L92 HydrophobicContact CE2-CD1 3.86Å; F40-L92 HydrophobicContact CZ-CD1 3.88Å; F40-L95 HydrophobicContact CE1-CD1 4Å; F40-L95 HydrophobicContact CE2-CD1 4.19Å; F40-L95 HydrophobicContact CZ-CD1 3.66Å; F40-A98 HydrophobicContact CE2-CB 3.66Å; F40-A98 HydrophobicContact CZ-CB 3.54Å
41	D	97.7	Very high	97.6	Very high	101 Å²	101	59.1 Å²	59.1	54%	0.54	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.1	177.7	-158	51	0	0	0	113.6	F37 Y39 A51	F37-D41 HydrophobicContact CD2-CB 4.33Å; F37-D41 HydrophobicContact CE2-CB 3.95Å; F37-D41 WeakPolarHBondContact O-CB 3.3Å; F37-D41 PolarHBondContact O-N 3.49Å; Y39-D41 VanDerWaalsContact C-N 3.26Å; Y39-D41 PolarHBondContact O-N 2.91Å; D41-A51 HydrophobicContact CB-CB 4.02Å
42	R	98	Very high	97.7	Very high	88 Å²	88	58.3 Å²	58.3	33%	0.332	30%	0.302	S	S	.	.	S	Bend	trans	-67.4	148.8	176.5	-62.6	167	56.6	160.2	-2.9	111.2	T38 Y39 F40 D44 V45 S46 E91	T38-R42 WeakPolarHBondContact O-CG 3.47Å; Y39-R42 WeakPolarHBondContact O-CB 3.46Å; Y39-R42 WeakPolarHBondContact O-CD 3.43Å; Y39-R42 WeakPolarHBondContact O-CG 3.48Å; Y39-R42 PolarHBondContact O-N 3.5Å; F40-R42 VanDerWaalsContact C-N 3.33Å; R42-D44 VanDerWaalsContact C-N 3.32Å; R42-D44 WeakPolarHBondContact CB-OD1 3.31Å; R42-D44 IonicContact CZ-OD1 3.82Å; R42-D44 IonicContact CZ-OD2 3.52Å; R42-D44 IonicContact NE-OD1 3.8Å; R42-D44 PolarHBondContact NE-OD1 3.17Å; R42-D44 IonicContact NE-OD2 2.83Å; R42-D44 IonicContact NH2-OD1 2.75Å; R42-D44 IonicContact NH2-OD2 2.92Å; R42-D44 PolarHBondContact NH2-OD2 3.35Å; R42-D44 PolarHBondContact O-N 3.01Å; R42-V45 HydrophobicContact CB-CB 4.39Å; R42-V45 HydrophobicContact CB-CG2 4.28Å; R42-V45 PolarHBondContact O-N 3.39Å; R42-S46 PolarHBondContact O-N 3.41Å; R42-E91 IonicContact CZ-OE1 3.67Å; R42-E91 IonicContact NH1-OE1 3.6Å; R42-E91 PolarHBondContact NH1-OE1 2.96Å; R42-E91 IonicContact NH1-OE2 2.75Å; R42-E91 PolarHBondContact NH1-OE2 2.61Å
43	D	97.5	Very high	97.7	Very high	143 Å²	143	62.9 Å²	62.9	77%	0.765	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.5	179.8	62.6	-60.7	0	0	0	113	V45 S46	D43-V45 VanDerWaalsContact C-N 3.33Å; D43-S46 PolarHBondContact O-OG 3.4Å
44	D	96.9	Very high	97.7	Very high	104 Å²	104	62.5 Å²	62.5	56%	0.556	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.6	176.8	63	-21.1	0	0	0	114.1	R42	R42-D44 VanDerWaalsContact C-N 3.32Å; R42-D44 WeakPolarHBondContact CB-OD1 3.31Å; R42-D44 IonicContact CZ-OD1 3.82Å; R42-D44 IonicContact CZ-OD2 3.52Å; R42-D44 IonicContact NE-OD1 3.8Å; R42-D44 PolarHBondContact NE-OD1 3.17Å; R42-D44 IonicContact NE-OD2 2.83Å; R42-D44 IonicContact NH2-OD1 2.75Å; R42-D44 IonicContact NH2-OD2 2.92Å; R42-D44 PolarHBondContact NH2-OD2 3.35Å; R42-D44 PolarHBondContact O-N 3.01Å
45	V	96.4	Very high	97.7	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.152	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-50.1	175.6	177.7	0	0	0	0	110.6	Y39 F40 R42 D43 F47	Y39-V45 HydrophobicContact CD1-CG1 4.28Å; Y39-V45 HydrophobicContact CD2-CG2 4.36Å; Y39-V45 HydrophobicContact CE1-CG1 3.78Å; Y39-V45 HydrophobicContact CE1-CG2 4.04Å; Y39-V45 HydrophobicContact CE2-CG2 3.78Å; F40-V45 HydrophobicContact CD1-CG1 3.85Å; R42-V45 HydrophobicContact CB-CB 4.39Å; R42-V45 HydrophobicContact CB-CG2 4.28Å; R42-V45 PolarHBondContact O-N 3.39Å; D43-V45 VanDerWaalsContact C-N 3.33Å; V45-F47 HydrophobicContact CG1-CD2 3.72Å; V45-F47 HydrophobicContact CG1-CE2 4.45Å; V45-F47 WeakPolarHBondContact O-CD2 3.43Å; V45-F47 WeakPolarHBondContact O-CE2 3.24Å; V45-F47 PolarHBondContact O-N 2.95Å
46	S	94.7	Very high	97.8	Very high	79 Å²	79	69 Å²	69	55%	0.552	34%	0.342	S	S	*	.			trans	56.5	47.1	171.8	-77.6	0	0	0	0	115.4	R42 D43 P48	R42-S46 PolarHBondContact O-N 3.41Å; D43-S46 PolarHBondContact O-OG 3.4Å; S46-P48 WeakPolarHBondContact O-CD 3.47Å
47	F	97.3	Very high	97.8	Very high	102 Å²	102	69.4 Å²	69.4	45%	0.447	35%	0.346	S	S	.	.			trans	-109.1	69.8	171.9	-77.1	-98.1	0	0	0	111.7	F40 V45 K49 A50 A51	F40-F47 HydrophobicContact CB-CB 4.2Å; F40-F47 HydrophobicContact CD1-CB 3.75Å; F40-F47 HydrophobicContact CD1-CD2 4.41Å; F40-F47 HydrophobicContact CD1-CG 4.25Å; F40-F47 HydrophobicContact CG-CB 4.3Å; F40-F47 PolarHBondContact O-N 3.02Å; F40-F47 VanDerWaalsContact O-N 3.09Å; V45-F47 HydrophobicContact CG1-CD2 3.72Å; V45-F47 HydrophobicContact CG1-CE2 4.45Å; V45-F47 WeakPolarHBondContact O-CD2 3.43Å; V45-F47 WeakPolarHBondContact O-CE2 3.24Å; V45-F47 PolarHBondContact O-N 2.95Å; F47-K49 PolarHBondContact O-N 3.41Å; F47-K49 VanDerWaalsContact O-N 3.08Å; F47-A50 HydrophobicContact CB-CB 3.94Å; F47-A50 PolarHBondContact O-N 2.94Å; F47-A51 PolarHBondContact O-N 3.16Å
48	P	97.2	Very high	97.8	Very high	89 Å²	89	67.5 Å²	67.5	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-27.1	-170.5	24.8	-35.7	0	0	0	114	S46 E52	S46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-E52 WeakPolarHBondContact O-CB 3.5Å; P48-E52 PolarHBondContact O-N 2.98Å
49	K	98.3	Very high	97.8	Very high	155 Å²	155	67.3 Å²	67.3	67%	0.674	33%	0.332	S	S	*	.	H	α-helix	trans	-77.5	-33.3	176.4	-67.7	-60.1	178.7	-173.1	0	113.4	F47 E52 F53	F47-K49 PolarHBondContact O-N 3.41Å; F47-K49 VanDerWaalsContact O-N 3.08Å; K49-E52 IonicContact NZ-OE2 2.68Å; K49-E52 PolarHBondContact NZ-OE2 2.93Å; K49-F53 WeakPolarHBondContact O-CB 3.44Å; K49-F53 PolarHBondContact O-N 3.31Å
50	A	97.9	Very high	97.8	Very high	11 Å²	11	71 Å²	71	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-69	-42	169.5	0	0	0	0	0	110.4	F40 F47 E52 F53 F54 L95	F40-A50 HydrophobicContact CB-CB 4.13Å; F40-A50 HydrophobicContact CD1-CB 4.04Å; F40-A50 HydrophobicContact CD2-CB 3.8Å; F40-A50 HydrophobicContact CE1-CB 4.39Å; F40-A50 HydrophobicContact CE2-CB 4.2Å; F40-A50 HydrophobicContact CG-CB 3.72Å; F40-A50 HydrophobicContact CZ-CB 4.47Å; F47-A50 HydrophobicContact CB-CB 3.94Å; F47-A50 PolarHBondContact O-N 2.94Å; A50-E52 PolarHBondContact O-N 3.06Å; A50-F53 WeakPolarHBondContact O-CB 3.4Å; A50-F53 PolarHBondContact O-N 3.18Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.49Å; A50-L95 HydrophobicContact CB-CD1 3.55Å
51	A	98.4	Very high	97.8	Very high	2 Å²	2	71.5 Å²	71.5	2%	0.017	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-49.2	173.5	0	0	0	0	0	111.6	F37 F40 D41 F47 F53 F54 R55	F37-A51 HydrophobicContact CD2-CB 3.97Å; F37-A51 WeakPolarHBondContact CD2-O 3.26Å; F37-A51 HydrophobicContact CE2-CB 4.48Å; F40-A51 HydrophobicContact CB-CB 3.89Å; D41-A51 HydrophobicContact CB-CB 4.02Å; F47-A51 PolarHBondContact O-N 3.16Å; A51-F53 VanDerWaalsContact C-N 3.35Å; A51-F53 PolarHBondContact O-N 2.85Å; A51-F54 PolarHBondContact O-N 3.33Å; A51-R55 VanDerWaalsContact O-CB 3.25Å; A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 2.89Å
52	E	98.6	Very high	97.9	Very high	76 Å²	76	71.3 Å²	71.3	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176.5	-168.5	-169.6	154.7	0	0	112.4	P48 K49 A50 K56	P48-E52 WeakPolarHBondContact O-CB 3.5Å; P48-E52 PolarHBondContact O-N 2.98Å; K49-E52 IonicContact NZ-OE2 2.68Å; K49-E52 PolarHBondContact NZ-OE2 2.93Å; A50-E52 PolarHBondContact O-N 3.06Å; E52-K56 HydrophobicContact CG-CD 4.49Å; E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 3.46Å; E52-K56 VanDerWaalsContact O-N 3.1Å; E52-K56 WeakPolarHBondContact OE1-CE 3.39Å; E52-K56 IonicContact OE1-NZ 3.56Å; E52-K56 PolarHBondContact OE1-NZ 2.95Å
53	F	98.6	Very high	97.9	Very high	102 Å²	102	72 Å²	72	45%	0.447	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-55.7	177.6	176.4	-89.8	0	0	0	111.6	K49 A50 A51 R55 K56 A57 F99	K49-F53 WeakPolarHBondContact O-CB 3.44Å; K49-F53 PolarHBondContact O-N 3.31Å; A50-F53 WeakPolarHBondContact O-CB 3.4Å; A50-F53 PolarHBondContact O-N 3.18Å; A51-F53 VanDerWaalsContact C-N 3.35Å; A51-F53 PolarHBondContact O-N 2.85Å; F53-R55 VanDerWaalsContact C-N 3.27Å; F53-R55 PolarHBondContact O-N 3.24Å; F53-K56 WeakPolarHBondContact O-CB 3.24Å; F53-K56 PolarHBondContact O-N 3.2Å; F53-K56 VanDerWaalsContact O-N 3.11Å; F53-A57 PolarHBondContact O-N 3.11Å; F53-F99 HydrophobicContact CD1-CE1 4.02Å; F53-F99 HydrophobicContact CD1-CZ 4.1Å; F53-F99 HydrophobicContact CE1-CD1 4.46Å; F53-F99 AromaticContact CE1-CE1 3.52Å; F53-F99 HydrophobicContact CE1-CE1 3.52Å; F53-F99 HydrophobicContact CE1-CZ 4.08Å; F53-F99 AromaticContact CZ-CE1 3.81Å; F53-F99 HydrophobicContact CZ-CE1 3.81Å; F53-F99 HydrophobicContact CZ-CZ 4.5Å
54	F	98.4	Very high	97.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-27.8	-178.5	-76.7	-66.3	0	0	0	112.8	Y33 F36 F37 F40 A50 A51 A57 S58 A98 F99 A102	Y33-F54 AromaticContact CD1-CD1 3.78Å; Y33-F54 HydrophobicContact CD1-CD1 3.78Å; Y33-F54 HydrophobicContact CD1-CE1 4.05Å; Y33-F54 HydrophobicContact CE1-CD1 4.38Å; Y33-F54 HydrophobicContact CE1-CE1 4.25Å; Y33-F54 HydrophobicContact CG-CD1 4.34Å; F36-F54 HydrophobicContact CB-CB 4.01Å; F36-F54 HydrophobicContact CB-CD1 3.92Å; F36-F54 HydrophobicContact CB-CD2 3.95Å; F36-F54 HydrophobicContact CB-CE1 4.42Å; F36-F54 HydrophobicContact CB-CE2 4.43Å; F36-F54 HydrophobicContact CB-CG 3.67Å; F36-F54 AromaticContact CD2-CD1 3.78Å; F36-F54 HydrophobicContact CD2-CD1 3.78Å; F36-F54 AromaticContact CD2-CE1 3.56Å; F36-F54 HydrophobicContact CD2-CE1 3.56Å; F36-F54 HydrophobicContact CD2-CE2 4.45Å; F36-F54 HydrophobicContact CD2-CG 4.33Å; F36-F54 AromaticContact CD2-CZ 3.91Å; F36-F54 HydrophobicContact CD2-CZ 3.91Å; F36-F54 HydrophobicContact CE2-CE1 4.34Å; F36-F54 HydrophobicContact CG-CD1 4.38Å; F36-F54 HydrophobicContact CG-CE1 4.49Å; F37-F54 HydrophobicContact CB-CB 4.05Å; F40-F54 AromaticContact CD2-CD2 3.71Å; F40-F54 HydrophobicContact CD2-CD2 3.71Å; F40-F54 HydrophobicContact CD2-CE2 4.05Å; F40-F54 AromaticContact CE2-CD2 3.66Å; F40-F54 HydrophobicContact CE2-CD2 3.66Å; F40-F54 AromaticContact CE2-CE2 3.5Å; F40-F54 HydrophobicContact CE2-CE2 3.5Å; F40-F54 VanDerWaalsContact CE2-CE2 3.5Å; F40-F54 HydrophobicContact CZ-CE2 4.45Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.49Å; A51-F54 PolarHBondContact O-N 3.33Å; F54-A57 PolarHBondContact O-N 3.45Å; F54-S58 WeakPolarHBondContact O-CB 3.49Å; F54-S58 PolarHBondContact O-N 3.16Å; F54-A98 HydrophobicContact CE2-CB 4Å; F54-A98 HydrophobicContact CZ-CB 3.95Å; F54-F99 HydrophobicContact CZ-CD1 4.45Å; F54-F99 HydrophobicContact CZ-CE1 4.4Å; F54-A102 HydrophobicContact CE1-CB 3.99Å; F54-A102 HydrophobicContact CZ-CB 4.47Å
55	R	98.7	Very high	98	Very high	117 Å²	117	63.6 Å²	63.6	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-43.5	171.6	-173.1	-179.3	179.5	-79	1.2	111.2	F37 A51 F53 H59	F37-R55 HydrophobicContact CB-CB 4.11Å; F37-R55 HydrophobicContact CD1-CB 4.3Å; F37-R55 HydrophobicContact CD1-CG 4.32Å; F37-R55 HydrophobicContact CD2-CB 3.81Å; F37-R55 HydrophobicContact CD2-CG 4.37Å; F37-R55 HydrophobicContact CE1-CG 4.48Å; F37-R55 HydrophobicContact CE2-CB 4.39Å; F37-R55 HydrophobicContact CG-CB 3.77Å; F37-R55 HydrophobicContact CG-CG 4.27Å; A51-R55 VanDerWaalsContact O-CB 3.25Å; A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 2.89Å; F53-R55 VanDerWaalsContact C-N 3.27Å; F53-R55 PolarHBondContact O-N 3.24Å; R55-H59 PolarHBondContact O-CD2 2.86Å; R55-H59 PolarHBondContact O-N 2.83Å; R55-H59 VanDerWaalsContact O-N 3.15Å
56	K	98.7	Very high	98.1	Very high	105 Å²	105	66.9 Å²	66.9	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-47.2	176	-74.7	168.6	172.1	170.7	0	110.8	E52 F53 S58 H59 E60	E52-K56 HydrophobicContact CG-CD 4.49Å; E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 3.46Å; E52-K56 VanDerWaalsContact O-N 3.1Å; E52-K56 WeakPolarHBondContact OE1-CE 3.39Å; E52-K56 IonicContact OE1-NZ 3.56Å; E52-K56 PolarHBondContact OE1-NZ 2.95Å; F53-K56 WeakPolarHBondContact O-CB 3.24Å; F53-K56 PolarHBondContact O-N 3.2Å; F53-K56 VanDerWaalsContact O-N 3.11Å; K56-S58 PolarHBondContact O-N 3.24Å; K56-H59 WeakPolarHBondContact O-CB 3.32Å; K56-H59 PolarHBondContact O-N 3.34Å; K56-E60 WeakPolarHBondContact O-CG 3.07Å; K56-E60 PolarHBondContact O-N 3.05Å
57	A	98.3	Very high	98.3	Very high	11 Å²	11	68.6 Å²	68.6	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-47.3	176.2	0	0	0	0	0	111.9	Y33 F53 F54 H59 E60 E61	Y33-A57 HydrophobicContact CD2-CB 3.65Å; Y33-A57 HydrophobicContact CE2-CB 4.06Å; Y33-A57 HydrophobicContact CG-CB 4.06Å; F53-A57 PolarHBondContact O-N 3.11Å; F54-A57 PolarHBondContact O-N 3.45Å; A57-H59 PolarHBondContact O-N 3.18Å; A57-E60 PolarHBondContact O-N 3.1Å; A57-E60 VanDerWaalsContact O-N 3.1Å; A57-E61 PolarHBondContact O-N 2.85Å
58	S	98.5	Very high	98.3	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.028	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-38	175.4	176.4	0	0	0	0	112.9	A30 F54 K56 R62	A30-S58 WeakPolarHBondContact CB-O 3.4Å; A30-S58 WeakPolarHBondContact O-CB 3.25Å; A30-S58 PolarHBondContact O-OG 2.86Å; F54-S58 WeakPolarHBondContact O-CB 3.49Å; F54-S58 PolarHBondContact O-N 3.16Å; K56-S58 PolarHBondContact O-N 3.24Å; S58-R62 PolarHBondContact O-N 3.36Å
59	H	98.7	Very high	98.4	Very high	71 Å²	71	62.4 Å²	62.4	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-72.2	-40.9	177	-73.6	-148.7	0	0	0	112	R55 K56 A57 R62 E63	R55-H59 PolarHBondContact O-CD2 2.86Å; R55-H59 PolarHBondContact O-N 2.83Å; R55-H59 VanDerWaalsContact O-N 3.15Å; K56-H59 WeakPolarHBondContact O-CB 3.32Å; K56-H59 PolarHBondContact O-N 3.34Å; A57-H59 PolarHBondContact O-N 3.18Å; H59-R62 PolarHBondContact CD2-NH2 3.04Å; H59-R62 PolarHBondContact NE2-NH2 3.48Å; H59-R62 PolarHBondContact O-N 3.33Å; H59-E63 WeakPolarHBondContact O-CG 3.34Å; H59-E63 PolarHBondContact O-N 3Å
60	E	98.3	Very high	98.4	Very high	105 Å²	105	61.6 Å²	61.6	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-45.4	177.7	-73.3	174.8	-177.2	0	0	111.7	K56 A57 R62 E63 H64	K56-E60 WeakPolarHBondContact O-CG 3.07Å; K56-E60 PolarHBondContact O-N 3.05Å; A57-E60 PolarHBondContact O-N 3.1Å; A57-E60 VanDerWaalsContact O-N 3.1Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 3.39Å; E60-E63 CarbonylContact O-C 3.59Å; E60-E63 WeakPolarHBondContact O-CA 3.37Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.43Å; E60-H64 PolarHBondContact O-N 3.27Å
61	E	97.9	Very high	98.4	Very high	12 Å²	12	66 Å²	66	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-66.2	-35.6	178.1	-56	-45.1	150.1	0	0	112.9	E26 A29 A30 Y33 A57 E63 H64 A65	E26-E61 WeakPolarHBondContact O-CB 3.5Å; E26-E61 VanDerWaalsContact OE2-OE2 3.11Å; A29-E61 HydrophobicContact CB-CB 4.19Å; A29-E61 HydrophobicContact CB-CG 3.86Å; A30-E61 HydrophobicContact CB-CB 3.94Å; Y33-E61 HydrophobicContact CD2-CG 3.86Å; Y33-E61 HydrophobicContact CE2-CG 3.8Å; A57-E61 PolarHBondContact O-N 2.85Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 2.9Å; E61-H64 WeakPolarHBondContact O-CB 3.45Å; E61-H64 PolarHBondContact O-N 3.12Å; E61-H64 VanDerWaalsContact O-N 3.15Å; E61-H64 IonicContact OE2-CE1 2.77Å; E61-H64 IonicContact OE2-CG 2.73Å; E61-H64 IonicContact OE2-ND1 3.07Å; E61-H64 PolarHBondContact OE2-ND1 3.19Å; E61-A65 PolarHBondContact O-N 3.43Å
62	R	98.5	Very high	98.4	Very high	97 Å²	97	65.9 Å²	65.9	37%	0.366	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-37.6	171.6	176.3	167.2	43.2	-144.6	-11.7	111.7	A30 S58 H59 E60 H64 A65 E66	A30-R62 HydrophobicContact CB-CB 4.19Å; S58-R62 PolarHBondContact O-N 3.36Å; H59-R62 PolarHBondContact CD2-NH2 3.04Å; H59-R62 PolarHBondContact NE2-NH2 3.48Å; H59-R62 PolarHBondContact O-N 3.33Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 3.39Å; R62-H64 VanDerWaalsContact C-N 3.33Å; R62-A65 PolarHBondContact O-N 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.26Å
63	E	98.6	Very high	98.4	Very high	103 Å²	103	66.8 Å²	66.8	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-36.2	172.4	-70.3	-172.9	-178.3	0	0	112.4	H59 E60 E61 E66 K67	H59-E63 WeakPolarHBondContact O-CG 3.34Å; H59-E63 PolarHBondContact O-N 3Å; E60-E63 CarbonylContact O-C 3.59Å; E60-E63 WeakPolarHBondContact O-CA 3.37Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.43Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 2.9Å; E63-E66 PolarHBondContact O-N 3.3Å; E63-K67 WeakPolarHBondContact O-CB 3.42Å; E63-K67 WeakPolarHBondContact O-CD 3.22Å; E63-K67 WeakPolarHBondContact O-CG 3.48Å; E63-K67 PolarHBondContact O-N 3.15Å; E63-K67 IonicContact OE2-NZ 3.57Å
64	H	98.1	Very high	98.3	Very high	65 Å²	65	69.8 Å²	69.8	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-49.1	173	-62.4	156.6	0	0	0	111.2	E26 E60 E61 R62 E66 K67 L68	E26-H64 HydrophobicContact CB-CB 4.39Å; E26-H64 HydrophobicContact CG-CB 3.93Å; E60-H64 PolarHBondContact O-N 3.27Å; E61-H64 WeakPolarHBondContact O-CB 3.45Å; E61-H64 PolarHBondContact O-N 3.12Å; E61-H64 VanDerWaalsContact O-N 3.15Å; E61-H64 IonicContact OE2-CE1 2.77Å; E61-H64 IonicContact OE2-CG 2.73Å; E61-H64 IonicContact OE2-ND1 3.07Å; E61-H64 PolarHBondContact OE2-ND1 3.19Å; R62-H64 VanDerWaalsContact C-N 3.33Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 3.03Å; H64-K67 PolarHBondContact O-N 3.02Å; H64-L68 WeakPolarHBondContact O-CG 3.46Å; H64-L68 PolarHBondContact O-N 2.75Å
65	A	98.4	Very high	98.3	Very high	4 Å²	4	73 Å²	73	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-45.6	174.6	0	0	0	0	0	112.1	I23 E26 L27 E61 R62 L68 A69	I23-A65 HydrophobicContact CG2-CB 4.45Å; E26-A65 HydrophobicContact CB-CB 3.84Å; L27-A65 HydrophobicContact CD2-CB 3.76Å; L27-A65 HydrophobicContact CG-CB 3.76Å; E61-A65 PolarHBondContact O-N 3.43Å; R62-A65 PolarHBondContact O-N 3.26Å; A65-L68 PolarHBondContact O-N 3.17Å; A65-A69 WeakPolarHBondContact O-CB 3.27Å; A65-A69 PolarHBondContact O-N 2.93Å
66	E	98.6	Very high	98.2	Very high	94 Å²	94	67.5 Å²	67.5	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-40.7	177.6	-76.4	-174.6	-157	0	0	113.2	R62 E63 H64 L68 A69 K70	R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.26Å; E63-E66 PolarHBondContact O-N 3.3Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 3.03Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-A69 PolarHBondContact O-N 2.6Å; E66-K70 WeakPolarHBondContact O-CB 3.49Å; E66-K70 VanDerWaalsContact O-CG 3.3Å; E66-K70 WeakPolarHBondContact O-CG 3.41Å; E66-K70 PolarHBondContact O-N 3.17Å; E66-K70 IonicContact OE2-NZ 3.97Å
67	K	98.6	Very high	98.1	Very high	115 Å²	115	62.5 Å²	62.5	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-44.3	176.6	-75.6	164.4	-172	158.5	0	110.4	E63 H64 K70 Y71	E63-K67 WeakPolarHBondContact O-CB 3.42Å; E63-K67 WeakPolarHBondContact O-CD 3.22Å; E63-K67 WeakPolarHBondContact O-CG 3.48Å; E63-K67 PolarHBondContact O-N 3.15Å; E63-K67 IonicContact OE2-NZ 3.57Å; H64-K67 PolarHBondContact O-N 3.02Å; K67-K70 PolarHBondContact O-N 2.96Å; K67-Y71 PolarHBondContact O-N 3.41Å
68	L	98.4	Very high	98	Very high	44 Å²	44	66.2 Å²	66.2	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-44.9	175.7	-70.8	170.4	0	0	0	111.9	I19 Q22 I23 E26 H64 A65 E66 K70 Y71 Q72	I19-L68 HydrophobicContact CG2-CB 4.32Å; Q22-L68 HydrophobicContact CB-CD1 3.95Å; Q22-L68 HydrophobicContact CG-CD1 3.49Å; Q22-L68 VanDerWaalsContact CG-CD1 3.49Å; I23-L68 HydrophobicContact CD1-CB 4.18Å; I23-L68 HydrophobicContact CG1-CB 3.54Å; I23-L68 HydrophobicContact CG1-CD1 4.33Å; E26-L68 HydrophobicContact CG-CD1 3.88Å; H64-L68 WeakPolarHBondContact O-CG 3.46Å; H64-L68 PolarHBondContact O-N 2.75Å; A65-L68 PolarHBondContact O-N 3.17Å; E66-L68 VanDerWaalsContact C-N 3.34Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.44Å; L68-Y71 WeakPolarHBondContact O-CB 3.46Å; L68-Y71 PolarHBondContact O-N 2.96Å; L68-Y71 VanDerWaalsContact O-N 3.13Å; L68-Q72 WeakPolarHBondContact O-CB 3.44Å; L68-Q72 PolarHBondContact O-N 2.87Å
69	A	98.5	Very high	98	Very high	18 Å²	18	67.8 Å²	67.8	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-41.4	176.1	0	0	0	0	0	112.3	I23 A65 E66 Q72 N73 I79	I23-A69 HydrophobicContact CD1-CB 4.09Å; A65-A69 WeakPolarHBondContact O-CB 3.27Å; A65-A69 PolarHBondContact O-N 2.93Å; E66-A69 PolarHBondContact O-N 2.6Å; A69-Q72 PolarHBondContact O-N 2.59Å; A69-N73 PolarHBondContact O-N 2.88Å; A69-I79 HydrophobicContact CB-CG1 4.03Å
70	K	98.5	Very high	97.8	Very high	138 Å²	138	70.3 Å²	70.3	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-62.8	-42.2	173.7	-74	170.2	-172.6	163.3	0	111.4	E66 K67 L68 N73 K74	E66-K70 WeakPolarHBondContact O-CB 3.49Å; E66-K70 VanDerWaalsContact O-CG 3.3Å; E66-K70 WeakPolarHBondContact O-CG 3.41Å; E66-K70 PolarHBondContact O-N 3.17Å; E66-K70 IonicContact OE2-NZ 3.97Å; K67-K70 PolarHBondContact O-N 2.96Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.44Å; K70-N73 PolarHBondContact O-N 3.48Å; K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 3.17Å
71	Y	98.3	Very high	97.8	Very high	103 Å²	103	72.3 Å²	72.3	40%	0.404	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-44.5	176.3	179.2	-107.9	0	0	0	112.3	I19 K67 L68 N73 K74 R75	I19-Y71 HydrophobicContact CD1-CD1 3.77Å; I19-Y71 HydrophobicContact CD1-CE1 3.68Å; K67-Y71 PolarHBondContact O-N 3.41Å; L68-Y71 WeakPolarHBondContact O-CB 3.46Å; L68-Y71 PolarHBondContact O-N 2.96Å; L68-Y71 VanDerWaalsContact O-N 3.13Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 2.83Å; Y71-K74 WeakPolarHBondContact O-CA 3.42Å; Y71-K74 WeakPolarHBondContact O-CB 3.43Å; Y71-K74 PolarHBondContact O-N 3.31Å; Y71-K74 VanDerWaalsContact O-N 3.08Å; Y71-R75 HydrophobicContact CD1-CG 4.33Å; Y71-R75 HydrophobicContact CD2-CG 4.33Å; Y71-R75 HydrophobicContact CE1-CG 3.9Å; Y71-R75 HydrophobicContact CE2-CG 3.88Å; Y71-R75 WeakPolarHBondContact O-CG 3.34Å; Y71-R75 PolarHBondContact O-N 3.03Å; Y71-R75 PolarHBondContact OH-NH1 3.02Å
72	Q	98.1	Very high	97.6	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-54.2	-49.3	175	-175.2	67.9	0.9	0	0	111.6	F11 E16 I19 L68 A69 K74 R75 G76 G77 R78 I79	F11-Q72 VanDerWaalsContact CZ-OE1 3.32Å; E16-Q72 PolarHBondContact O-NE2 2.98Å; E16-Q72 PolarHBondContact OE1-NE2 3.21Å; I19-Q72 HydrophobicContact CG2-CB 3.98Å; I19-Q72 HydrophobicContact CG2-CG 4.41Å; L68-Q72 WeakPolarHBondContact O-CB 3.44Å; L68-Q72 PolarHBondContact O-N 2.87Å; A69-Q72 PolarHBondContact O-N 2.59Å; Q72-K74 PolarHBondContact O-N 2.7Å; Q72-R75 PolarHBondContact O-N 3.35Å; Q72-G76 PolarHBondContact O-N 3.42Å; Q72-G77 PolarHBondContact O-N 3.31Å; Q72-R78 PolarHBondContact NE2-O 3.32Å; Q72-R78 VanDerWaalsContact NE2-O 3.1Å; Q72-I79 HydrophobicContact CB-CD1 4.16Å; Q72-I79 HydrophobicContact CB-CG1 4.24Å; Q72-I79 HydrophobicContact CG-CD1 4.01Å; Q72-I79 HydrophobicContact CG-CG1 4.06Å
73	N	97.2	Very high	97.6	Very high	94 Å²	94	79 Å²	79	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-43.4	174.9	-83.4	-30.7	0	0	0	112.3	A69 K70 Y71 R75 G76 I79	A69-N73 PolarHBondContact O-N 2.88Å; K70-N73 PolarHBondContact O-N 3.48Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 2.83Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; N73-G76 PolarHBondContact O-N 2.77Å; N73-I79 HydrophobicContact CB-CD1 4.48Å; N73-I79 VanDerWaalsContact CG-CD1 3.4Å; N73-I79 WeakPolarHBondContact ND2-CD1 3.5Å; N73-I79 WeakPolarHBondContact OD1-CD1 3.42Å
74	K	97.3	Very high	97.5	Very high	165 Å²	165	77.7 Å²	77.7	72%	0.717	36%	0.361	S	S	*	.	H	α-helix	trans	-59.5	-35.9	177.2	-174.9	-178.1	178.4	-179.9	0	112.2	K70 Y71 Q72 G76	K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 3.17Å; Y71-K74 WeakPolarHBondContact O-CA 3.42Å; Y71-K74 WeakPolarHBondContact O-CB 3.43Å; Y71-K74 PolarHBondContact O-N 3.31Å; Y71-K74 VanDerWaalsContact O-N 3.08Å; Q72-K74 PolarHBondContact O-N 2.7Å; K74-G76 PolarHBondContact O-N 2.95Å
75	R	97.4	Very high	97.5	Very high	67 Å²	67	81.3 Å²	81.3	25%	0.253	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.3	176.3	-62.1	-57.2	-57.2	-77.9	-2.4	113.8	R8 N10 F11 Y71 Q72 N73 G77	R8-R75 WeakPolarHBondContact CA-O 3.42Å; N10-R75 PolarHBondContact O-NH2 3.43Å; N10-R75 VanDerWaalsContact O-NH2 3.09Å; F11-R75 HydrophobicContact CD1-CB 3.55Å; F11-R75 WeakPolarHBondContact CD1-O 3.41Å; F11-R75 HydrophobicContact CD2-CB 4.06Å; F11-R75 HydrophobicContact CD2-CG 4.37Å; F11-R75 HydrophobicContact CE1-CB 3.57Å; F11-R75 HydrophobicContact CE2-CB 4.07Å; F11-R75 HydrophobicContact CE2-CG 4.24Å; F11-R75 HydrophobicContact CG-CB 3.82Å; F11-R75 HydrophobicContact CZ-CB 3.85Å; F11-R75 HydrophobicContact CZ-CG 4.33Å; Y71-R75 HydrophobicContact CD1-CG 4.33Å; Y71-R75 HydrophobicContact CD2-CG 4.33Å; Y71-R75 HydrophobicContact CE1-CG 3.9Å; Y71-R75 HydrophobicContact CE2-CG 3.88Å; Y71-R75 WeakPolarHBondContact O-CG 3.34Å; Y71-R75 PolarHBondContact O-N 3.03Å; Y71-R75 PolarHBondContact OH-NH1 3.02Å; Q72-R75 PolarHBondContact O-N 3.35Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; R75-G77 VanDerWaalsContact C-N 3.29Å
76	G	97.3	Very high	97.4	Very high	2 Å²	2	84.9 Å²	84.9	2%	0.021	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	10	-179.5	0	0	0	0	0	114.7	S5 Q72 N73 K74 R78	S5-G76 VanDerWaalsContact CB-O 3.27Å; S5-G76 WeakPolarHBondContact CB-O 3.37Å; Q72-G76 PolarHBondContact O-N 3.42Å; N73-G76 PolarHBondContact O-N 2.77Å; K74-G76 PolarHBondContact O-N 2.95Å; G76-R78 PolarHBondContact O-NH1 3.49Å
77	G	96.9	Very high	97.1	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	39%	0.388	C	S	.	.			trans	-72.4	179.9	172.6	0	0	0	0	0	113	E16 Q72 R75	E16-G77 WeakPolarHBondContact OE1-CA 3.32Å; Q72-G77 PolarHBondContact O-N 3.31Å; R75-G77 VanDerWaalsContact C-N 3.29Å
78	R	96.4	Very high	96.6	Very high	90 Å²	90	79.9 Å²	79.9	34%	0.34	38%	0.383	S	S	.	.			trans	-118.4	141.3	173.6	-60.8	-63.8	173.7	-86.4	-7.2	108.6	K3 E16 N20 Q72 G76	K3-R78 PolarHBondContact O-NH2 2.99Å; E16-R78 PolarHBondContact OE1-N 3.38Å; N20-R78 PolarHBondContact ND2-O 2.98Å; N20-R78 PolarHBondContact OD1-O 3.46Å; Q72-R78 PolarHBondContact NE2-O 3.32Å; Q72-R78 VanDerWaalsContact NE2-O 3.1Å; G76-R78 PolarHBondContact O-NH1 3.49Å
79	I	97.6	Very high	96.4	Very high	37 Å²	37	81.3 Å²	81.3	19%	0.19	39%	0.388	C	S	.	.			trans	-86.7	128.1	173	-61.9	78.1	0	0	0	106.8	N20 I23 A69 Q72 N73 F81	N20-I79 WeakPolarHBondContact OD1-CA 3.44Å; I23-I79 HydrophobicContact CD1-CG1 4.38Å; I23-I79 HydrophobicContact CD1-CG2 4.29Å; A69-I79 HydrophobicContact CB-CG1 4.03Å; Q72-I79 HydrophobicContact CB-CD1 4.16Å; Q72-I79 HydrophobicContact CB-CG1 4.24Å; Q72-I79 HydrophobicContact CG-CD1 4.01Å; Q72-I79 HydrophobicContact CG-CG1 4.06Å; N73-I79 HydrophobicContact CB-CD1 4.48Å; N73-I79 VanDerWaalsContact CG-CD1 3.4Å; N73-I79 WeakPolarHBondContact ND2-CD1 3.5Å; N73-I79 WeakPolarHBondContact OD1-CD1 3.42Å; I79-F81 HydrophobicContact CG2-CD1 4.2Å; I79-F81 HydrophobicContact CG2-CD2 4.13Å; I79-F81 HydrophobicContact CG2-CE1 3.84Å; I79-F81 HydrophobicContact CG2-CE2 3.77Å; I79-F81 HydrophobicContact CG2-CG 4.33Å; I79-F81 HydrophobicContact CG2-CZ 3.63Å
80	E	96.1	Very high	96.2	Very high	124 Å²	124	84.7 Å²	84.7	58%	0.579	41%	0.407	S	S	*	.			trans	-118.3	104.3	172.7	-65.4	-176.7	176	0	0	107.8	N20	N20-E80 PolarHBondContact OD1-N 2.88Å
81	F	96.3	Very high	96.1	Very high	147 Å²	147	83.3 Å²	83.3	65%	0.645	40%	0.402	S	S	*	.			trans	-74.5	135	174.4	-64.1	-72	0	0	0	109.4	I23 L27 I79	I23-F81 HydrophobicContact CG2-CD1 4.46Å; I23-F81 HydrophobicContact CG2-CE1 4.19Å; L27-F81 HydrophobicContact CD1-CD1 3.92Å; L27-F81 HydrophobicContact CD1-CE1 4.03Å; I79-F81 HydrophobicContact CG2-CD1 4.2Å; I79-F81 HydrophobicContact CG2-CD2 4.13Å; I79-F81 HydrophobicContact CG2-CE1 3.84Å; I79-F81 HydrophobicContact CG2-CE2 3.77Å; I79-F81 HydrophobicContact CG2-CG 4.33Å; I79-F81 HydrophobicContact CG2-CZ 3.63Å
82	M	95.7	Very high	96	Very high	93 Å²	93	78.8 Å²	78.8	46%	0.458	39%	0.385	S	S	.	.			trans	-108.1	167.5	176.8	-65.9	174.9	-78.7	0	0	109.6	N24	N24-M82 HydrophobicContact CB-CB 4.46Å; N24-M82 HydrophobicContact CB-CE 3.41Å; N24-M82 VanDerWaalsContact CB-CE 3.41Å; N24-M82 WeakPolarHBondContact OD1-CB 3.44Å; N24-M82 PolarHBondContact OD1-O 3.41Å
83	D	97.5	Very high	95.8	Very high	157 Å²	157	85 Å²	85	84%	0.84	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.6	139.2	175	-65.6	-32	0	0	0	110.4
84	L	97.5	Very high	95.5	Very high	74 Å²	74	84.2 Å²	84.2	39%	0.387	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-89.2	137.4	167	-59.3	-177.2	0	0	0	108.7	L27 Q28	L27-L84 HydrophobicContact CB-CD1 4.34Å; L27-L84 HydrophobicContact CB-CD2 3.99Å; Q28-L84 HydrophobicContact CB-CD2 4.2Å
85	R	96.2	Very high	95.4	Very high	142 Å²	142	79.1 Å²	79.1	54%	0.536	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-73.3	160.5	170.3	57.4	170.9	-170.2	171.4	5.3	109.1	Q28 Y31 D32	Q28-R85 HydrophobicContact CG-CG 4.25Å; Q28-R85 PolarHBondContact NE2-O 3.15Å; Q28-R85 PolarHBondContact OE1-O 3.08Å; Y31-R85 WeakPolarHBondContact CD1-O 3.41Å; Y31-R85 VanDerWaalsContact CE1-O 3.31Å; Y31-R85 WeakPolarHBondContact CE1-O 3.49Å; D32-R85 IonicContact OD2-NH2 3.86Å; D32-R85 PolarHBondContact OD2-NH2 3.48Å
86	A	96.4	Very high	95.4	Very high	79 Å²	79	82.3 Å²	82.3	65%	0.653	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-51.9	147.6	168.2	0	0	0	0	0	110.5	Q88	A86-Q88 PolarHBondContact O-N 3.22Å
87	A	94	Very high	95.4	Very high	18 Å²	18	83.7 Å²	83.7	15%	0.149	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-55.4	137.6	179.3	0	0	0	0	0	110.1	Y31 D32 A35 K89 T90	Y31-A87 HydrophobicContact CD1-CB 4.36Å; Y31-A87 HydrophobicContact CE1-CB 4.07Å; D32-A87 VanDerWaalsContact OD1-CA 3.24Å; D32-A87 WeakPolarHBondContact OD1-CA 3.33Å; A35-A87 HydrophobicContact CB-CB 3.58Å; A87-K89 PolarHBondContact O-N 3.1Å; A87-K89 VanDerWaalsContact O-N 3.16Å; A87-T90 HydrophobicContact CB-CG2 4.37Å
88	Q	87.3	Confident	95.3	Very high	85 Å²	85	83.7 Å²	83.7	40%	0.397	42%	0.418	S	S	.	.	S	Bend	trans	-54.4	-40.1	-172.5	-177.7	176.7	14.2	0	0	112.9	D32 A86	D32-Q88 PolarHBondContact OD1-N 2.9Å; A86-Q88 PolarHBondContact O-N 3.22Å
89	K	93.8	Very high	95.4	Very high	74 Å²	74	83.5 Å²	83.5	32%	0.322	42%	0.42	S	S	.	.			trans	-147.4	144.1	172.1	-71.1	-159.9	176.7	-163	0	110.7	F36 A87 L92 E97 I101	F36-K89 HydrophobicContact CE1-CB 4.23Å; A87-K89 PolarHBondContact O-N 3.1Å; A87-K89 VanDerWaalsContact O-N 3.16Å; K89-L92 HydrophobicContact CB-CD2 4.26Å; K89-L92 HydrophobicContact CD-CD2 4.22Å; K89-E97 IonicContact NZ-OE1 3.24Å; K89-E97 PolarHBondContact NZ-OE1 3.05Å; K89-E97 IonicContact NZ-OE2 2.61Å; K89-I101 HydrophobicContact CD-CD1 3.7Å; K89-I101 HydrophobicContact CG-CD1 4.24Å
90	T	94.7	Very high	95.4	Very high	89 Å²	89	87.5 Å²	87.5	55%	0.546	44%	0.438	S	S	.	.	S	Bend	trans	-117.2	-11.2	172.1	56.6	0	0	0	0	112.8	A35 Y39 A87	A35-T90 HydrophobicContact CB-CG2 4.39Å; Y39-T90 WeakPolarHBondContact CD2-O 3.29Å; A87-T90 HydrophobicContact CB-CG2 4.37Å
91	E	96.8	Very high	95.4	Very high	109 Å²	109	82.5 Å²	82.5	51%	0.509	42%	0.415	S	S	.	.	S	Bend	trans	-126.8	127.7	174.7	-63.6	-67	162.8	0	0	107.2	Y39 R42	Y39-E91 WeakPolarHBondContact CE2-OE2 3.46Å; R42-E91 IonicContact CZ-OE1 3.67Å; R42-E91 IonicContact NH1-OE1 3.6Å; R42-E91 PolarHBondContact NH1-OE1 2.96Å; R42-E91 IonicContact NH1-OE2 2.75Å; R42-E91 PolarHBondContact NH1-OE2 2.61Å
92	L	95.2	Very high	95.4	Very high	8 Å²	8	75.9 Å²	75.9	4%	0.042	39%	0.387	C	S	.	.			trans	-120.2	146.3	-177	-64.2	157.4	0	0	0	109.3	F36 Y39 F40 K89 E97 A98 I101	F36-L92 HydrophobicContact CB-CD1 4.43Å; F36-L92 HydrophobicContact CD1-CD1 3.82Å; F36-L92 HydrophobicContact CD1-CD2 4.46Å; F36-L92 HydrophobicContact CE1-CD1 4.28Å; F36-L92 HydrophobicContact CE1-CD2 4.09Å; F36-L92 HydrophobicContact CG-CD1 4.12Å; F36-L92 HydrophobicContact CZ-CD2 4.42Å; Y39-L92 HydrophobicContact CD1-CB 3.93Å; Y39-L92 HydrophobicContact CD1-CD1 3.58Å; Y39-L92 HydrophobicContact CD1-CG 4.14Å; Y39-L92 HydrophobicContact CE1-CB 3.6Å; Y39-L92 HydrophobicContact CE1-CD1 4.11Å; Y39-L92 HydrophobicContact CE1-CG 4.33Å; Y39-L92 HydrophobicContact CG-CD1 4.14Å; Y39-L92 VanDerWaalsContact CZ-O 3.23Å; Y39-L92 PolarHBondContact OH-O 2.89Å; F40-L92 HydrophobicContact CE2-CD1 3.86Å; F40-L92 HydrophobicContact CZ-CD1 3.88Å; K89-L92 HydrophobicContact CB-CD2 4.26Å; K89-L92 HydrophobicContact CD-CD2 4.22Å; L92-E97 WeakPolarHBondContact CA-OE2 3.39Å; L92-E97 HydrophobicContact CD2-CG 4.22Å; L92-A98 HydrophobicContact CD1-CB 3.82Å; L92-A98 HydrophobicContact CD2-CB 4.26Å; L92-I101 HydrophobicContact CD2-CD1 4.01Å
93	N	93.6	Very high	95.4	Very high	130 Å²	130	76.2 Å²	76.2	70%	0.695	39%	0.39	S	S	*	.	S	Bend	trans	-74.2	-40.7	178.9	-64.2	-62.5	0	0	0	111.4	E97	N93-E97 WeakPolarHBondContact CB-OE2 3.36Å; N93-E97 PolarHBondContact N-OE2 2.74Å; N93-E97 VanDerWaalsContact ND2-CD 3.3Å; N93-E97 PolarHBondContact ND2-OE1 3.27Å; N93-E97 VanDerWaalsContact ND2-OE1 3.17Å; N93-E97 PolarHBondContact ND2-OE2 3.41Å
94	D	92	Very high	95.3	Very high	78 Å²	78	71.9 Å²	71.9	42%	0.417	37%	0.372	S	S	.	.			trans	-162.2	-175.6	-179.7	55	46.2	0	0	0	111	E96 E97	D94-E96 WeakPolarHBondContact OD1-CA 3.49Å; D94-E96 WeakPolarHBondContact OD1-CB 3.38Å; D94-E96 PolarHBondContact OD1-N 3.24Å; D94-E97 PolarHBondContact OD1-N 3.1Å
95	L	95.3	Very high	95.1	Very high	58 Å²	58	69.1 Å²	69.1	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-70.4	-31.4	178.5	-172.5	60.1	0	0	0	112.7	F40 A50 A98 F99	F40-L95 HydrophobicContact CE1-CD1 4Å; F40-L95 HydrophobicContact CE2-CD1 4.19Å; F40-L95 HydrophobicContact CZ-CD1 3.66Å; A50-L95 HydrophobicContact CB-CD1 3.55Å; L95-A98 PolarHBondContact O-N 3.34Å; L95-F99 HydrophobicContact CD1-CD2 3.95Å; L95-F99 HydrophobicContact CD1-CE2 3.54Å; L95-F99 HydrophobicContact CD2-CE2 4.16Å; L95-F99 HydrophobicContact CG-CD2 3.86Å; L95-F99 HydrophobicContact CG-CE2 3.68Å; L95-F99 VanDerWaalsContact O-CD2 3.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.48Å; L95-F99 PolarHBondContact O-N 2.9Å
96	E	97.4	Very high	95	Very high	134 Å²	134	64.3 Å²	64.3	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-48.1	-178.5	-178.4	171.8	-172.8	0	0	110.1	D94 A98 F99 E100	D94-E96 WeakPolarHBondContact OD1-CA 3.49Å; D94-E96 WeakPolarHBondContact OD1-CB 3.38Å; D94-E96 PolarHBondContact OD1-N 3.24Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.89Å; E96-F99 PolarHBondContact O-N 2.75Å; E96-F99 VanDerWaalsContact O-N 3.1Å; E96-E100 WeakPolarHBondContact O-CG 3.12Å; E96-E100 PolarHBondContact O-N 3.31Å
97	E	96.4	Very high	94.9	Very high	31 Å²	31	66.1 Å²	66.1	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-42.3	175.9	177.7	175.1	-134.9	0	0	112.2	K89 L92 N93 D94 F99 E100 I101	K89-E97 IonicContact NZ-OE1 3.24Å; K89-E97 PolarHBondContact NZ-OE1 3.05Å; K89-E97 IonicContact NZ-OE2 2.61Å; L92-E97 WeakPolarHBondContact CA-OE2 3.39Å; L92-E97 HydrophobicContact CD2-CG 4.22Å; N93-E97 WeakPolarHBondContact CB-OE2 3.36Å; N93-E97 PolarHBondContact N-OE2 2.74Å; N93-E97 VanDerWaalsContact ND2-CD 3.3Å; N93-E97 PolarHBondContact ND2-OE1 3.27Å; N93-E97 VanDerWaalsContact ND2-OE1 3.17Å; N93-E97 PolarHBondContact ND2-OE2 3.41Å; D94-E97 PolarHBondContact OD1-N 3.1Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 2.92Å; E97-E100 PolarHBondContact O-N 3.37Å; E97-I101 HydrophobicContact CG-CD1 3.78Å; E97-I101 HydrophobicContact CG-CG1 4.39Å; E97-I101 VanDerWaalsContact O-CG1 3.27Å; E97-I101 WeakPolarHBondContact O-CG1 3.45Å; E97-I101 PolarHBondContact O-N 3.06Å
98	A	96.4	Very high	94.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-40.6	179.3	0	0	0	0	0	112.2	F36 F40 F54 L92 L95 E96 A102	F36-A98 HydrophobicContact CD2-CB 4.47Å; F40-A98 HydrophobicContact CE2-CB 3.66Å; F40-A98 HydrophobicContact CZ-CB 3.54Å; F54-A98 HydrophobicContact CE2-CB 4Å; F54-A98 HydrophobicContact CZ-CB 3.95Å; L92-A98 HydrophobicContact CD1-CB 3.82Å; L92-A98 HydrophobicContact CD2-CB 4.26Å; L95-A98 PolarHBondContact O-N 3.34Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.89Å; A98-A102 WeakPolarHBondContact O-CB 3.47Å; A98-A102 PolarHBondContact O-N 3.28Å
99	F	97.4	Very high	95	Very high	86 Å²	86	65.3 Å²	65.3	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-74.3	-34.3	177.3	-81.6	-71	0	0	0	113	F53 F54 L95 E96 E97 A102 L103	F53-F99 HydrophobicContact CD1-CE1 4.02Å; F53-F99 HydrophobicContact CD1-CZ 4.1Å; F53-F99 HydrophobicContact CE1-CD1 4.46Å; F53-F99 AromaticContact CE1-CE1 3.52Å; F53-F99 HydrophobicContact CE1-CE1 3.52Å; F53-F99 HydrophobicContact CE1-CZ 4.08Å; F53-F99 AromaticContact CZ-CE1 3.81Å; F53-F99 HydrophobicContact CZ-CE1 3.81Å; F53-F99 HydrophobicContact CZ-CZ 4.5Å; F54-F99 HydrophobicContact CZ-CD1 4.45Å; F54-F99 HydrophobicContact CZ-CE1 4.4Å; L95-F99 HydrophobicContact CD1-CD2 3.95Å; L95-F99 HydrophobicContact CD1-CE2 3.54Å; L95-F99 HydrophobicContact CD2-CE2 4.16Å; L95-F99 HydrophobicContact CG-CD2 3.86Å; L95-F99 HydrophobicContact CG-CE2 3.68Å; L95-F99 VanDerWaalsContact O-CD2 3.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.48Å; L95-F99 PolarHBondContact O-N 2.9Å; E96-F99 PolarHBondContact O-N 2.75Å; E96-F99 VanDerWaalsContact O-N 3.1Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 2.92Å; F99-A102 PolarHBondContact O-N 3.34Å; F99-L103 VanDerWaalsContact O-CB 3.29Å; F99-L103 WeakPolarHBondContact O-CB 3.09Å; F99-L103 PolarHBondContact O-N 3.26Å
100	E	97.3	Very high	94.5	Very high	122 Å²	122	70.5 Å²	70.5	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-44.3	172.9	-72.1	-172	147.4	0	0	111.4	E96 E97 L103 S104	E96-E100 WeakPolarHBondContact O-CG 3.12Å; E96-E100 PolarHBondContact O-N 3.31Å; E97-E100 PolarHBondContact O-N 3.37Å; E100-L103 PolarHBondContact O-N 2.94Å; E100-S104 WeakPolarHBondContact O-CB 3.34Å; E100-S104 PolarHBondContact O-N 3.44Å
101	I	96	Very high	93.8	Very high	19 Å²	19	72.8 Å²	72.8	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-47.8	175.9	-65.7	166.9	0	0	0	110.2	F36 K89 L92 E97 L103 S104 S105	F36-I101 HydrophobicContact CE2-CB 4.27Å; F36-I101 HydrophobicContact CE2-CG2 4.09Å; F36-I101 HydrophobicContact CZ-CB 4.04Å; F36-I101 HydrophobicContact CZ-CD1 4.3Å; F36-I101 HydrophobicContact CZ-CG2 3.63Å; K89-I101 HydrophobicContact CD-CD1 3.7Å; K89-I101 HydrophobicContact CG-CD1 4.24Å; L92-I101 HydrophobicContact CD2-CD1 4.01Å; E97-I101 HydrophobicContact CG-CD1 3.78Å; E97-I101 HydrophobicContact CG-CG1 4.39Å; E97-I101 VanDerWaalsContact O-CG1 3.27Å; E97-I101 WeakPolarHBondContact O-CG1 3.45Å; E97-I101 PolarHBondContact O-N 3.06Å; I101-L103 PolarHBondContact O-N 3.3Å; I101-S104 WeakPolarHBondContact O-CB 3.25Å; I101-S104 PolarHBondContact O-N 3.03Å; I101-S104 VanDerWaalsContact O-N 3.17Å; I101-S105 PolarHBondContact O-N 3.11Å; I101-S105 PolarHBondContact O-OG 3.1Å
102	A	96.1	Very high	92.2	Very high	8 Å²	8	69.7 Å²	69.7	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-48.2	177.5	0	0	0	0	0	111.7	Y33 F54 A98 F99 S104 S105 E106	Y33-A102 HydrophobicContact CE1-CB 3.71Å; F54-A102 HydrophobicContact CE1-CB 3.99Å; F54-A102 HydrophobicContact CZ-CB 4.47Å; A98-A102 WeakPolarHBondContact O-CB 3.47Å; A98-A102 PolarHBondContact O-N 3.28Å; F99-A102 PolarHBondContact O-N 3.34Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.33Å; A102-S105 WeakPolarHBondContact O-CB 3.47Å; A102-S105 PolarHBondContact O-N 3.43Å; A102-E106 WeakPolarHBondContact O-CG 3.39Å; A102-E106 PolarHBondContact O-N 3.49Å
103	L	96.5	Very high	90.3	Very high	99 Å²	99	78.9 Å²	78.9	52%	0.518	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-38.2	177.8	-179.8	61.8	0	0	0	112.6	F99 E100 I101 K107	F99-L103 VanDerWaalsContact O-CB 3.29Å; F99-L103 WeakPolarHBondContact O-CB 3.09Å; F99-L103 PolarHBondContact O-N 3.26Å; E100-L103 PolarHBondContact O-N 2.94Å; I101-L103 PolarHBondContact O-N 3.3Å; L103-K107 VanDerWaalsContact O-CG 3.32Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å; L103-K107 PolarHBondContact O-N 2.93Å; L103-K107 VanDerWaalsContact O-N 3.12Å
104	S	95.2	Very high	90.1	Very high	66 Å²	66	76.3 Å²	76.3	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-42.6	175.5	-174.5	0	0	0	0	111.9	E100 I101 A102 K107 S108	E100-S104 WeakPolarHBondContact O-CB 3.34Å; E100-S104 PolarHBondContact O-N 3.44Å; I101-S104 WeakPolarHBondContact O-CB 3.25Å; I101-S104 PolarHBondContact O-N 3.03Å; I101-S104 VanDerWaalsContact O-N 3.17Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.33Å; S104-K107 PolarHBondContact O-N 2.93Å; S104-S108 PolarHBondContact O-N 3.28Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.09Å
105	S	93.7	Very high	90	Very high	17 Å²	17	76.2 Å²	76.2	12%	0.119	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-50.9	175.1	-68.8	0	0	0	0	111.2	I101 A102 K107 S108 I109	I101-S105 PolarHBondContact O-N 3.11Å; I101-S105 PolarHBondContact O-OG 3.1Å; A102-S105 WeakPolarHBondContact O-CB 3.47Å; A102-S105 PolarHBondContact O-N 3.43Å; S105-K107 PolarHBondContact O-N 3.04Å; S105-S108 CarbonylContact O-C 3.57Å; S105-S108 WeakPolarHBondContact O-CA 3.38Å; S105-S108 WeakPolarHBondContact O-CB 3.47Å; S105-S108 PolarHBondContact O-N 3.44Å; S105-I109 VanDerWaalsContact O-CG1 3.24Å; S105-I109 WeakPolarHBondContact O-CG1 3.49Å; S105-I109 PolarHBondContact O-N 3.2Å
106	E	94.2	Very high	89.7	Confident	40 Å²	40	77.2 Å²	77.2	19%	0.187	39%	0.386	C	S	.	.	H	α-helix	trans	-52.2	-52	176	-73.2	-55.2	128.4	0	0	111.8	Y33 A102 S108 I109 Y110	Y33-E106 PolarHBondContact OH-OE1 3.38Å; A102-E106 WeakPolarHBondContact O-CG 3.39Å; A102-E106 PolarHBondContact O-N 3.49Å; E106-S108 PolarHBondContact O-N 2.79Å; E106-S108 VanDerWaalsContact O-N 3.16Å; E106-I109 PolarHBondContact O-N 2.93Å; E106-I109 VanDerWaalsContact O-N 3.1Å; E106-Y110 HydrophobicContact CB-CE2 4.45Å; E106-Y110 WeakPolarHBondContact O-CD2 3.14Å; E106-Y110 PolarHBondContact O-N 2.83Å; E106-Y110 WeakPolarHBondContact OE2-CE2 3.41Å
107	K	94.5	Very high	89.3	Confident	117 Å²	117	73.9 Å²	73.9	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-57	-34.8	177.9	-75.4	174.2	-179.5	175.4	0	112.7	L103 S104 S105 Q111	L103-K107 VanDerWaalsContact O-CG 3.32Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å; L103-K107 PolarHBondContact O-N 2.93Å; L103-K107 VanDerWaalsContact O-N 3.12Å; S104-K107 PolarHBondContact O-N 2.93Å; S105-K107 PolarHBondContact O-N 3.04Å; K107-Q111 WeakPolarHBondContact O-CB 3.27Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.45Å; K107-Q111 PolarHBondContact O-NE2 2.96Å
108	S	91.3	Very high	88.8	Confident	73 Å²	73	76.6 Å²	76.6	51%	0.51	39%	0.386	S	S	.	.	H	α-helix	trans	-75.8	-37.7	179	-54	0	0	0	0	111.8	S104 S105 E106 Q111 V112	S104-S108 PolarHBondContact O-N 3.28Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.09Å; S105-S108 CarbonylContact O-C 3.57Å; S105-S108 WeakPolarHBondContact O-CA 3.38Å; S105-S108 WeakPolarHBondContact O-CB 3.47Å; S105-S108 PolarHBondContact O-N 3.44Å; E106-S108 PolarHBondContact O-N 2.79Å; E106-S108 VanDerWaalsContact O-N 3.16Å; S108-Q111 PolarHBondContact O-N 2.68Å; S108-V112 PolarHBondContact O-N 3.02Å
109	I	90.5	Very high	88.3	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.072	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-39.2	177.1	-64.7	160.6	0	0	0	111	Q22 V25 A29 S105 E106 Q111 V112	Q22-I109 PolarHBondContact NE2-O 3.23Å; V25-I109 HydrophobicContact CG1-CB 4.09Å; V25-I109 HydrophobicContact CG1-CG1 3.65Å; V25-I109 HydrophobicContact CG1-CG2 3.94Å; A29-I109 HydrophobicContact CB-CD1 3.49Å; A29-I109 VanDerWaalsContact CB-CD1 3.49Å; A29-I109 HydrophobicContact CB-CG1 4.5Å; S105-I109 VanDerWaalsContact O-CG1 3.24Å; S105-I109 WeakPolarHBondContact O-CG1 3.49Å; S105-I109 PolarHBondContact O-N 3.2Å; E106-I109 PolarHBondContact O-N 2.93Å; E106-I109 VanDerWaalsContact O-N 3.1Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.48Å; I109-V112 VanDerWaalsContact O-CG2 3.26Å; I109-V112 WeakPolarHBondContact O-CG2 3.08Å
110	Y	83.6	Confident	87.7	Confident	182 Å²	182	81.4 Å²	81.4	71%	0.714	42%	0.415	S	S	*	.	H	α-helix	trans	-74.7	-20	177.2	-72.7	-68.6	0	0	0	114.4	E106	E106-Y110 HydrophobicContact CB-CE2 4.45Å; E106-Y110 WeakPolarHBondContact O-CD2 3.14Å; E106-Y110 PolarHBondContact O-N 2.83Å; E106-Y110 WeakPolarHBondContact OE2-CE2 3.41Å
111	Q	80.3	Confident	86.9	Confident	138 Å²	138	78.2 Å²	78.2	65%	0.645	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	23.6	-177.5	-71.1	174.3	78.8	0	0	112.2	K107 S108 I109 D113	K107-Q111 WeakPolarHBondContact O-CB 3.27Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.45Å; K107-Q111 PolarHBondContact O-NE2 2.96Å; S108-Q111 PolarHBondContact O-N 2.68Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.48Å; Q111-D113 PolarHBondContact O-N 3.08Å
112	V	63.7	Low	86.2	Confident	43 Å²	43	83.2 Å²	83.2	26%	0.261	43%	0.428	S	S	.	.			trans	-65.4	101.6	176.9	178.8	0	0	0	0	108.9	K21 V25 S108 I109	K21-V112 HydrophobicContact CD-CG1 3.85Å; K21-V112 HydrophobicContact CG-CG1 4.24Å; V25-V112 HydrophobicContact CG1-CG2 4.06Å; V25-V112 HydrophobicContact CG2-CG2 4.05Å; S108-V112 PolarHBondContact O-N 3.02Å; I109-V112 VanDerWaalsContact O-CG2 3.26Å; I109-V112 WeakPolarHBondContact O-CG2 3.08Å
113	D	54.9	Low	85.3	Confident	201 Å²	201	90 Å²	90	100%	1.075	46%	0.461	S	S	*	.			trans	-64.2	0	171.2	-67	-35	0	0	0	112.5	K21 Q111	K21-D113 PolarHBondContact NZ-O 2.67Å; Q111-D113 PolarHBondContact O-N 3.08Å

Retrieved 113 of 113 residues in 97.5 ms (Link to these results)

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