FRIH1_SCHMA Loading...

Ferritin-1 heavy chain

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 (By similarity).

AlphaFold DB , UniProt , Accession P25319, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SCM-1, Length 173 aa.

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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	77.1	Confident	94.9	Very high	220 Å²	220	102.1 Å²	102.1	100%	1.084	51%	0.511	S	S	*	.				0	137.5	0	-170.1	175.9	-71.8	0	0	107.8
2	S	92.7	Very high	95.2	Very high	31 Å²	31	93.6 Å²	93.6	22%	0.217	47%	0.468	C	S	.	.			trans	-64.4	133.8	177.1	-175.7	0	0	0	0	110.2	C4 R5 G73	S2-C4 VanDerWaalsContact C-N 3.33Å; S2-C4 PolarHBondContact O-N 3.32Å; S2-C4 PolarHBondContact OG-SG 3.09Å; S2-R5 PolarHBondContact O-N 3.36Å; S2-G73 WeakPolarHBondContact CB-O 3.4Å; S2-G73 WeakPolarHBondContact OG-CA 3.39Å
3	L	96.1	Very high	95.5	Very high	182 Å²	182	88.9 Å²	88.9	95%	0.953	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.3	-176	-63.2	177.9	0	0	0	113.1
4	C	96.1	Very high	95.7	Very high	72 Å²	72	86.7 Å²	86.7	49%	0.486	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.9	179.1	63.3	0	0	0	0	113.7	S2 Q6 G73	S2-C4 VanDerWaalsContact C-N 3.33Å; S2-C4 PolarHBondContact O-N 3.32Å; S2-C4 PolarHBondContact OG-SG 3.09Å; C4-Q6 PolarHBondContact O-N 3.31Å; C4-Q6 VanDerWaalsContact O-N 3.09Å; C4-G73 WeakPolarHBondContact SG-CA 3.43Å
5	R	97.4	Very high	95.9	Very high	73 Å²	73	81.9 Å²	81.9	28%	0.275	43%	0.427	S	S	.	.			trans	-71.9	110.6	-173.8	-170.6	-173.5	-166.9	96.1	-5.5	110.2	S2 Y8 E13 G73	S2-R5 PolarHBondContact O-N 3.36Å; R5-Y8 PolarHBondContact NE-O 3.46Å; R5-Y8 PolarHBondContact NH2-O 3.24Å; R5-E13 IonicContact CZ-OE2 3.13Å; R5-E13 IonicContact NH1-OE2 2.65Å; R5-E13 PolarHBondContact NH1-OE2 2.87Å; R5-E13 IonicContact NH2-OE2 2.83Å; R5-E13 PolarHBondContact NH2-OE2 2.95Å; R5-G73 PolarHBondContact NH1-O 3.29Å
6	Q	95.7	Very high	96.1	Very high	160 Å²	160	76.8 Å²	76.8	75%	0.748	40%	0.4	S	S	*	.			trans	-135	129.2	175.5	-176.8	-179.6	-3.8	0	0	110	C4 Y8 R72	C4-Q6 PolarHBondContact O-N 3.31Å; C4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-Y8 PolarHBondContact O-N 3.01Å; Q6-R72 PolarHBondContact O-NH2 3.31Å
7	N	96.4	Very high	96.3	Very high	95 Å²	95	73.1 Å²	73.1	51%	0.508	38%	0.381	S	S	.	.	S	Bend	trans	48.3	32.9	178.8	-162.3	40.9	0	0	0	114.2	R72 R121 D122	N7-R72 PolarHBondContact O-NH2 3.09Å; N7-R121 PolarHBondContact ND2-O 3.36Å; N7-R121 VanDerWaalsContact ND2-O 3.13Å; N7-D122 VanDerWaalsContact O-CG 3.3Å
8	Y	97.9	Very high	96.4	Very high	9 Å²	9	75.4 Å²	75.4	4%	0.035	39%	0.388	C	S	.	.			trans	-109.3	97.2	179.8	-167	-132.2	0	0	0	108.3	R5 Q6 C12 E13 Q69 R72 F125	R5-Y8 PolarHBondContact NE-O 3.46Å; R5-Y8 PolarHBondContact NH2-O 3.24Å; Q6-Y8 PolarHBondContact O-N 3.01Å; Y8-C12 HydrophobicContact CD2-CB 3.92Å; Y8-C12 HydrophobicContact CE2-CB 3.56Å; Y8-E13 HydrophobicContact CD1-CB 4.41Å; Y8-E13 HydrophobicContact CE1-CB 3.72Å; Y8-E13 WeakPolarHBondContact OH-CA 3.41Å; Y8-Q69 PolarHBondContact OH-OE1 3.3Å; Y8-R72 HydrophobicContact CD1-CB 3.67Å; Y8-R72 HydrophobicContact CD2-CB 4.02Å; Y8-R72 HydrophobicContact CD2-CG 4.38Å; Y8-R72 HydrophobicContact CE1-CB 3.81Å; Y8-R72 HydrophobicContact CE2-CB 4.18Å; Y8-R72 HydrophobicContact CE2-CG 4.43Å; Y8-R72 HydrophobicContact CG-CB 3.8Å; Y8-F125 HydrophobicContact CD2-CD2 4.39Å; Y8-F125 AromaticContact CE2-CD2 3.74Å; Y8-F125 HydrophobicContact CE2-CD2 3.74Å; Y8-F125 AromaticContact CE2-CE2 3.89Å; Y8-F125 HydrophobicContact CE2-CE2 3.89Å
9	H	98.3	Very high	96.5	Very high	66 Å²	66	71.5 Å²	71.5	31%	0.306	37%	0.368	S	S	.	.			trans	-69.5	151	-175	-165.1	-99.4	0	0	0	111	E11 C12 E13 H120	H9-E11 IonicContact CE1-OE1 2.77Å; H9-E11 WeakPolarHBondContact ND1-CB 3.49Å; H9-E11 PolarHBondContact ND1-N 2.96Å; H9-E11 VanDerWaalsContact ND1-N 3.19Å; H9-E11 PolarHBondContact O-N 2.72Å; H9-C12 WeakPolarHBondContact O-CB 3.48Å; H9-C12 PolarHBondContact O-N 2.65Å; H9-E13 PolarHBondContact O-N 2.91Å; H9-E13 VanDerWaalsContact O-N 3.13Å; H9-H120 HydrophobicContact CB-CB 3.95Å; H9-H120 AromaticContact CD2-CE1 3.61Å; H9-H120 AromaticContact CD2-ND1 3.49Å; H9-H120 PolarHBondContact CD2-ND1 3.37Å; H9-H120 AromaticContact CE1-CE1 3.17Å; H9-H120 PolarHBondContact CE1-CE1 3.11Å; H9-H120 AromaticContact CE1-ND1 3.86Å; H9-H120 AromaticContact CE1-NE2 3.54Å; H9-H120 AromaticContact CG-CD2 3.7Å; H9-H120 AromaticContact CG-CE1 3.4Å; H9-H120 VanDerWaalsContact CG-CE1 3.4Å; H9-H120 AromaticContact CG-CG 3.58Å; H9-H120 AromaticContact CG-ND1 3.39Å; H9-H120 AromaticContact CG-NE2 3.59Å; H9-H120 AromaticContact ND1-CD2 3.61Å; H9-H120 AromaticContact ND1-CE1 3.1Å; H9-H120 PolarHBondContact ND1-CE1 2.64Å; H9-H120 AromaticContact ND1-CG 3.91Å; H9-H120 AromaticContact ND1-ND1 3.62Å; H9-H120 AromaticContact ND1-NE2 3.07Å; H9-H120 PolarHBondContact ND1-NE2 3.02Å; H9-H120 AromaticContact NE2-CE1 3.47Å; H9-H120 PolarHBondContact NE2-CE1 3.03Å; H9-H120 AromaticContact NE2-ND1 3.79Å
10	E	98	Very high	96.6	Very high	141 Å²	141	68.1 Å²	68.1	66%	0.659	35%	0.35	S	S	*	.	H	α-helix	trans	-59	-32.4	178.3	61	-176.2	-171.7	0	0	112.5	E13 A14	E10-E13 PolarHBondContact O-N 2.81Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 2.77Å
11	E	98.5	Very high	96.7	Very high	74 Å²	74	66.2 Å²	66.2	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-35.3	174.4	-65.4	-166.4	-123.6	0	0	112.9	H9 E13 A14 G15 V116 R119 H120	H9-E11 IonicContact CE1-OE1 2.77Å; H9-E11 WeakPolarHBondContact ND1-CB 3.49Å; H9-E11 PolarHBondContact ND1-N 2.96Å; H9-E11 VanDerWaalsContact ND1-N 3.19Å; H9-E11 PolarHBondContact O-N 2.72Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E11-A14 PolarHBondContact O-N 3.23Å; E11-G15 PolarHBondContact O-N 3.38Å; E11-V116 HydrophobicContact CB-CG1 3.78Å; E11-R119 IonicContact OE1-CZ 2.82Å; E11-R119 IonicContact OE1-NH1 3.47Å; E11-R119 PolarHBondContact OE1-NH1 3.15Å; E11-R119 IonicContact OE1-NH2 2.84Å; E11-R119 IonicContact OE2-CZ 3.62Å; E11-R119 IonicContact OE2-NH1 3.69Å; E11-R119 PolarHBondContact OE2-NH1 3.39Å; E11-R119 IonicContact OE2-NH2 3.52Å; E11-R119 PolarHBondContact OE2-NH2 3.17Å; E11-H120 IonicContact OE1-CE1 2.94Å; E11-H120 IonicContact OE1-NE2 3.61Å
12	C	98.7	Very high	97.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-41	173.3	-58.6	0	0	0	0	110.6	Y8 H9 G15 V16 F125	Y8-C12 HydrophobicContact CD2-CB 3.92Å; Y8-C12 HydrophobicContact CE2-CB 3.56Å; H9-C12 WeakPolarHBondContact O-CB 3.48Å; H9-C12 PolarHBondContact O-N 2.65Å; C12-G15 PolarHBondContact O-N 3.37Å; C12-V16 WeakPolarHBondContact O-CG2 3.44Å; C12-V16 PolarHBondContact O-N 3.41Å; C12-F125 HydrophobicContact CB-CD2 4.14Å; C12-F125 HydrophobicContact CB-CE2 3.84Å; C12-F125 HydrophobicContact CB-CZ 4.18Å
13	E	98.7	Very high	98	Very high	33 Å²	33	56 Å²	56	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-43.7	175.8	148.8	158.7	-149.8	0	0	112.6	R5 Y8 H9 E10 E11 N17 Q69 R75	R5-E13 IonicContact CZ-OE2 3.13Å; R5-E13 IonicContact NH1-OE2 2.65Å; R5-E13 PolarHBondContact NH1-OE2 2.87Å; R5-E13 IonicContact NH2-OE2 2.83Å; R5-E13 PolarHBondContact NH2-OE2 2.95Å; Y8-E13 HydrophobicContact CD1-CB 4.41Å; Y8-E13 HydrophobicContact CE1-CB 3.72Å; Y8-E13 WeakPolarHBondContact OH-CA 3.41Å; H9-E13 PolarHBondContact O-N 2.91Å; H9-E13 VanDerWaalsContact O-N 3.13Å; E10-E13 PolarHBondContact O-N 2.81Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E13-N17 PolarHBondContact O-N 3.47Å; E13-N17 VanDerWaalsContact O-N 3.1Å; E13-N17 PolarHBondContact O-ND2 2.77Å; E13-Q69 VanDerWaalsContact CG-NE2 3.3Å; E13-Q69 PolarHBondContact O-NE2 3.08Å; E13-R75 WeakPolarHBondContact OE1-CB 3.43Å; E13-R75 PolarHBondContact OE1-N 2.93Å
14	A	98.6	Very high	98.2	Very high	58 Å²	58	48.9 Å²	48.9	48%	0.479	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-41.4	174.4	0	0	0	0	0	111.4	E10 E11 N17 K18	E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 2.77Å; E11-A14 PolarHBondContact O-N 3.23Å; A14-N17 PolarHBondContact O-N 3.3Å; A14-K18 PolarHBondContact O-N 3.13Å
15	G	98.7	Very high	98.3	Very high	15 Å²	15	48.2 Å²	48.2	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.8	0	0	0	0	0	112.8	E11 C12 K18 Q19 L113	E11-G15 PolarHBondContact O-N 3.38Å; C12-G15 PolarHBondContact O-N 3.37Å; G15-K18 WeakPolarHBondContact O-CB 3.45Å; G15-K18 PolarHBondContact O-N 3.05Å; G15-Q19 PolarHBondContact O-N 2.98Å; G15-L113 VanDerWaalsContact CA-CD1 3.49Å
16	V	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-41.3	175.6	171.2	0	0	0	0	111.4	C12 K18 Q19 I20 L65 Q69 L113 F125	C12-V16 WeakPolarHBondContact O-CG2 3.44Å; C12-V16 PolarHBondContact O-N 3.41Å; V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 PolarHBondContact O-N 2.9Å; V16-Q19 PolarHBondContact O-N 3.36Å; V16-I20 HydrophobicContact CG1-CD1 3.87Å; V16-I20 HydrophobicContact CG1-CG1 4.29Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.66Å; V16-L65 HydrophobicContact CG1-CB 4.19Å; V16-L65 HydrophobicContact CG1-CD2 4.43Å; V16-Q69 HydrophobicContact CG1-CB 4.17Å; V16-L113 HydrophobicContact CG2-CD2 4.39Å; V16-F125 HydrophobicContact CG2-CE2 3.5Å; V16-F125 VanDerWaalsContact CG2-CE2 3.5Å; V16-F125 HydrophobicContact CG2-CZ 3.87Å
17	N	98.8	Very high	98.5	Very high	14 Å²	14	37.6 Å²	37.6	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-40.8	173.7	-79.5	-43.8	0	0	0	112.4	E13 A14 N21 R75 I76 V77	E13-N17 PolarHBondContact O-N 3.47Å; E13-N17 VanDerWaalsContact O-N 3.1Å; E13-N17 PolarHBondContact O-ND2 2.77Å; A14-N17 PolarHBondContact O-N 3.3Å; N17-N21 PolarHBondContact O-N 2.76Å; N17-R75 PolarHBondContact ND2-O 3.27Å; N17-R75 PolarHBondContact OD1-O 3.07Å; N17-I76 WeakPolarHBondContact OD1-CA 3.45Å; N17-V77 PolarHBondContact OD1-N 3.47Å
18	K	98.6	Very high	98.6	Very high	114 Å²	114	37.6 Å²	37.6	50%	0.496	19%	0.186	S	C	.	.	H	α-helix	trans	-62.3	-45.3	173.5	-177.8	-171.5	171.6	-161.8	0	111.2	A14 G15 V16 N21 M22 E112	A14-K18 PolarHBondContact O-N 3.13Å; G15-K18 WeakPolarHBondContact O-CB 3.45Å; G15-K18 PolarHBondContact O-N 3.05Å; V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 PolarHBondContact O-N 2.9Å; K18-N21 PolarHBondContact O-N 3.47Å; K18-M22 PolarHBondContact O-N 3.23Å; K18-E112 IonicContact NZ-OE2 3.93Å
19	Q	98.9	Very high	98.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-39.3	-179.8	-169.9	65.4	30.4	0	0	111.9	G15 V16 N21 M22 E23 L65 S109 L110 L113	G15-Q19 PolarHBondContact O-N 2.98Å; V16-Q19 PolarHBondContact O-N 3.36Å; Q19-N21 PolarHBondContact O-N 3.49Å; Q19-M22 WeakPolarHBondContact O-CA 3.39Å; Q19-M22 WeakPolarHBondContact O-CB 3.43Å; Q19-M22 PolarHBondContact O-N 3.1Å; Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.48Å; Q19-E23 PolarHBondContact O-N 3.19Å; Q19-L65 HydrophobicContact CB-CD1 3.9Å; Q19-L65 HydrophobicContact CG-CD1 3.52Å; Q19-S109 VanDerWaalsContact OE1-CB 3.27Å; Q19-S109 PolarHBondContact OE1-OG 3.26Å; Q19-L110 HydrophobicContact CG-CD2 3.85Å; Q19-L113 HydrophobicContact CB-CD2 3.93Å; Q19-L113 HydrophobicContact CG-CD2 4.14Å
20	I	98.9	Very high	98.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-52	-46	171.6	-73.9	162.4	0	0	0	110.4	V16 M22 E23 L24 L65 M66 L78	V16-I20 HydrophobicContact CG1-CD1 3.87Å; V16-I20 HydrophobicContact CG1-CG1 4.29Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.66Å; I20-M22 VanDerWaalsContact C-N 3.33Å; I20-E23 PolarHBondContact O-N 3.07Å; I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 3.31Å; I20-L65 HydrophobicContact CD1-CB 4.14Å; I20-L65 HydrophobicContact CG1-CB 3.46Å; I20-L65 VanDerWaalsContact CG1-CB 3.46Å; I20-L65 HydrophobicContact CG1-CD1 4.1Å; I20-L65 HydrophobicContact CG1-CG 4.43Å; I20-M66 HydrophobicContact CD1-CB 4.46Å; I20-M66 HydrophobicContact CD1-CG 3.73Å; I20-M66 HydrophobicContact CG1-CG 4.13Å; I20-M66 HydrophobicContact CG2-CE 3.45Å; I20-M66 VanDerWaalsContact CG2-CE 3.45Å; I20-M66 HydrophobicContact CG2-CG 4.13Å; I20-L78 HydrophobicContact CG2-CD2 3.98Å
21	N	98.5	Very high	98.6	Very high	29 Å²	29	31.2 Å²	31.2	16%	0.155	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-33.9	178.1	-161	65.2	0	0	0	112.6	N17 K18 Q19 Y25 Q79 D80	N17-N21 PolarHBondContact O-N 2.76Å; K18-N21 PolarHBondContact O-N 3.47Å; Q19-N21 PolarHBondContact O-N 3.49Å; N21-Y25 WeakPolarHBondContact O-CB 3.39Å; N21-Y25 PolarHBondContact O-N 3.26Å; N21-Q79 PolarHBondContact OD1-O 2.93Å; N21-D80 PolarHBondContact ND2-O 2.92Å
22	M	98.5	Very high	98.6	Very high	37 Å²	37	29.1 Å²	29.1	18%	0.182	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-45.8	174.6	-173.1	65.8	-165.1	0	0	111.6	K18 Q19 I20 Y25 A26 L102 K105 V106	K18-M22 PolarHBondContact O-N 3.23Å; Q19-M22 WeakPolarHBondContact O-CA 3.39Å; Q19-M22 WeakPolarHBondContact O-CB 3.43Å; Q19-M22 PolarHBondContact O-N 3.1Å; I20-M22 VanDerWaalsContact C-N 3.33Å; M22-Y25 WeakPolarHBondContact O-CB 3.43Å; M22-Y25 PolarHBondContact O-N 2.85Å; M22-Y25 HydrophobicContact SD-CD1 4.48Å; M22-A26 PolarHBondContact O-N 3.48Å; M22-L102 HydrophobicContact CE-CD1 4.18Å; M22-K105 HydrophobicContact CE-CB 3.94Å; M22-V106 HydrophobicContact CE-CB 4.38Å; M22-V106 HydrophobicContact CE-CG2 3.51Å; M22-V106 HydrophobicContact CG-CG2 4.19Å
23	E	98.8	Very high	98.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-39.3	177.7	-52.2	-48.3	177.5	0	0	111.6	Q19 I20 Y25 A26 S27 H61 A62 L65 V106	Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.48Å; Q19-E23 PolarHBondContact O-N 3.19Å; I20-E23 PolarHBondContact O-N 3.07Å; E23-Y25 VanDerWaalsContact C-N 3.33Å; E23-Y25 PolarHBondContact O-N 2.88Å; E23-A26 PolarHBondContact O-N 2.87Å; E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.2Å; E23-H61 HydrophobicContact CB-CB 4.26Å; E23-H61 HydrophobicContact CG-CB 3.92Å; E23-A62 HydrophobicContact CB-CB 3.86Å; E23-L65 HydrophobicContact CG-CD1 3.77Å; E23-V106 WeakPolarHBondContact OE2-CG1 3.42Å
24	L	98.7	Very high	98.6	Very high	31 Å²	31	27.6 Å²	27.6	16%	0.162	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-38.4	174.4	-70.6	173.3	0	0	0	112.1	I20 Y28 R59 A62 M66 L78 I81	I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 3.31Å; L24-Y28 WeakPolarHBondContact O-CB 3.48Å; L24-Y28 PolarHBondContact O-N 2.89Å; L24-R59 HydrophobicContact CD2-CG 4.5Å; L24-A62 HydrophobicContact CD2-CB 3.7Å; L24-A62 HydrophobicContact CG-CB 3.74Å; L24-M66 HydrophobicContact CD1-CE 4.09Å; L24-L78 HydrophobicContact CD1-CD2 4.46Å; L24-I81 HydrophobicContact CB-CD1 3.79Å; L24-I81 HydrophobicContact CB-CG1 4.17Å; L24-I81 HydrophobicContact CD1-CD1 4.36Å
25	Y	98.6	Very high	98.6	Very high	59 Å²	59	29.8 Å²	29.8	23%	0.231	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-44.2	172.9	172.3	-100.8	0	0	0	111.7	N21 M22 E23 S27 Y28 V29 I81 S82 L102	N21-Y25 WeakPolarHBondContact O-CB 3.39Å; N21-Y25 PolarHBondContact O-N 3.26Å; M22-Y25 WeakPolarHBondContact O-CB 3.43Å; M22-Y25 PolarHBondContact O-N 2.85Å; M22-Y25 HydrophobicContact SD-CD1 4.48Å; E23-Y25 VanDerWaalsContact C-N 3.33Å; E23-Y25 PolarHBondContact O-N 2.88Å; Y25-S27 VanDerWaalsContact C-N 3.35Å; Y25-S27 PolarHBondContact O-N 3.37Å; Y25-Y28 WeakPolarHBondContact O-CB 3.35Å; Y25-Y28 PolarHBondContact O-N 3.32Å; Y25-Y28 VanDerWaalsContact O-N 3.07Å; Y25-V29 HydrophobicContact CD1-CG2 4.24Å; Y25-V29 HydrophobicContact CD2-CG2 4.39Å; Y25-V29 HydrophobicContact CE1-CG2 3.72Å; Y25-V29 HydrophobicContact CE2-CG2 3.91Å; Y25-V29 WeakPolarHBondContact O-CG2 3.37Å; Y25-V29 PolarHBondContact O-N 2.85Å; Y25-I81 HydrophobicContact CD2-CG2 4.49Å; Y25-S82 WeakPolarHBondContact CD2-O 3.39Å; Y25-L102 HydrophobicContact CD1-CD1 4.34Å; Y25-L102 HydrophobicContact CE1-CD1 4.08Å
26	A	98.6	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-46	176.3	0	0	0	0	0	111.4	M22 E23 Y28 V29 Y30 E58 L102 V106	M22-A26 PolarHBondContact O-N 3.48Å; E23-A26 PolarHBondContact O-N 2.87Å; A26-Y28 VanDerWaalsContact C-N 3.26Å; A26-Y28 PolarHBondContact O-N 2.94Å; A26-V29 PolarHBondContact O-N 2.93Å; A26-Y30 WeakPolarHBondContact O-CD2 3.46Å; A26-Y30 PolarHBondContact O-N 3.45Å; A26-E58 HydrophobicContact CB-CB 4.28Å; A26-E58 HydrophobicContact CB-CG 3.89Å; A26-L102 HydrophobicContact CB-CD1 4.21Å; A26-L102 HydrophobicContact CB-CD2 4.03Å; A26-L102 HydrophobicContact CB-CG 4.29Å; A26-V106 HydrophobicContact CB-CG2 4.14Å
27	S	98.7	Very high	98.6	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-54.1	-42	172	-178.2	0	0	0	0	112.3	E23 Y25 Y30 M31 S55	E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.2Å; Y25-S27 VanDerWaalsContact C-N 3.35Å; Y25-S27 PolarHBondContact O-N 3.37Å; S27-Y30 PolarHBondContact O-N 3.21Å; S27-M31 WeakPolarHBondContact O-CB 3.33Å; S27-M31 PolarHBondContact O-N 3.13Å; S27-S55 WeakPolarHBondContact CB-O 3.32Å; S27-S55 WeakPolarHBondContact O-CB 3.42Å; S27-S55 PolarHBondContact O-OG 3.49Å; S27-S55 PolarHBondContact OG-O 2.95Å; S27-S55 PolarHBondContact OG-OG 3Å
28	Y	98.2	Very high	98.5	Very high	96 Å²	96	32.8 Å²	32.8	38%	0.376	15%	0.154	S	C	.	.	H	α-helix	trans	-70.3	-37.2	-179.4	-157.3	-139.2	0	0	0	113.1	L24 Y25 A26 M31 T32 I81 P84	L24-Y28 WeakPolarHBondContact O-CB 3.48Å; L24-Y28 PolarHBondContact O-N 2.89Å; Y25-Y28 WeakPolarHBondContact O-CB 3.35Å; Y25-Y28 PolarHBondContact O-N 3.32Å; Y25-Y28 VanDerWaalsContact O-N 3.07Å; A26-Y28 VanDerWaalsContact C-N 3.26Å; A26-Y28 PolarHBondContact O-N 2.94Å; Y28-M31 HydrophobicContact CD2-CE 3.44Å; Y28-M31 VanDerWaalsContact CD2-CE 3.44Å; Y28-M31 HydrophobicContact CE2-CE 3.57Å; Y28-T32 PolarHBondContact O-N 3.09Å; Y28-T32 VanDerWaalsContact O-N 3.14Å; Y28-T32 PolarHBondContact O-OG1 3.32Å; Y28-I81 HydrophobicContact CD1-CG2 3.66Å; Y28-I81 HydrophobicContact CE1-CG2 4.48Å; Y28-I81 HydrophobicContact CG-CG2 4Å; Y28-P84 HydrophobicContact CD1-CG 4.17Å
29	V	98.7	Very high	98.5	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-48.2	172.5	175.7	0	0	0	0	110.3	Y25 A26 M31 T32 M33 P84 L102	Y25-V29 HydrophobicContact CD1-CG2 4.24Å; Y25-V29 HydrophobicContact CD2-CG2 4.39Å; Y25-V29 HydrophobicContact CE1-CG2 3.72Å; Y25-V29 HydrophobicContact CE2-CG2 3.91Å; Y25-V29 WeakPolarHBondContact O-CG2 3.37Å; Y25-V29 PolarHBondContact O-N 2.85Å; A26-V29 PolarHBondContact O-N 2.93Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 2.98Å; V29-T32 WeakPolarHBondContact O-CB 3.25Å; V29-T32 PolarHBondContact O-N 2.95Å; V29-T32 VanDerWaalsContact O-N 3.1Å; V29-M33 HydrophobicContact CG1-CE 3.78Å; V29-M33 HydrophobicContact CG1-SD 4.37Å; V29-M33 PolarHBondContact O-N 3.4Å; V29-P84 HydrophobicContact CB-CG 4.35Å; V29-P84 HydrophobicContact CG2-CB 3.98Å; V29-P84 HydrophobicContact CG2-CG 3.83Å; V29-L102 HydrophobicContact CB-CD2 3.94Å; V29-L102 HydrophobicContact CG1-CD2 3.89Å
30	Y	98.7	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-38.6	178.3	-82.2	-52	0	0	0	113.1	A26 S27 T32 M33 A34 F51 E54 E58 A99 L102 E103	A26-Y30 WeakPolarHBondContact O-CD2 3.46Å; A26-Y30 PolarHBondContact O-N 3.45Å; S27-Y30 PolarHBondContact O-N 3.21Å; Y30-T32 VanDerWaalsContact C-N 3.27Å; Y30-T32 PolarHBondContact O-N 3.08Å; Y30-M33 HydrophobicContact CD1-SD 3.88Å; Y30-M33 HydrophobicContact CE1-SD 4.18Å; Y30-M33 WeakPolarHBondContact O-CB 3.24Å; Y30-M33 PolarHBondContact O-N 2.98Å; Y30-A34 WeakPolarHBondContact O-CB 3.29Å; Y30-A34 PolarHBondContact O-N 3.29Å; Y30-F51 AromaticContact CD1-CD1 3.59Å; Y30-F51 HydrophobicContact CD1-CD1 3.59Å; Y30-F51 HydrophobicContact CD1-CE1 4.26Å; Y30-F51 HydrophobicContact CD1-CG 4.49Å; Y30-F51 AromaticContact CE1-CD1 3.8Å; Y30-F51 HydrophobicContact CE1-CD1 3.8Å; Y30-F51 HydrophobicContact CE1-CE1 4.08Å; Y30-E54 HydrophobicContact CD1-CB 4.02Å; Y30-E54 HydrophobicContact CD2-CB 3.98Å; Y30-E54 HydrophobicContact CE1-CB 4.08Å; Y30-E54 HydrophobicContact CE2-CB 4.05Å; Y30-E54 HydrophobicContact CG-CB 3.97Å; Y30-E58 HydrophobicContact CD2-CG 3.78Å; Y30-E58 HydrophobicContact CE2-CG 3.88Å; Y30-A99 HydrophobicContact CE1-CB 3.81Å; Y30-L102 HydrophobicContact CD2-CD2 4.27Å; Y30-L102 HydrophobicContact CE2-CD2 3.96Å; Y30-E103 WeakPolarHBondContact CE2-OE1 3.31Å; Y30-E103 VanDerWaalsContact CZ-OE1 3.24Å; Y30-E103 VanDerWaalsContact OH-CD 3.29Å; Y30-E103 WeakPolarHBondContact OH-CG 3.4Å; Y30-E103 PolarHBondContact OH-OE1 3.16Å
31	M	98.5	Very high	98.3	Very high	69 Å²	69	45.1 Å²	45.1	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-41.4	173.7	-174.6	166.3	54.9	0	0	111	S27 Y28 V29 A34 F35	S27-M31 WeakPolarHBondContact O-CB 3.33Å; S27-M31 PolarHBondContact O-N 3.13Å; Y28-M31 HydrophobicContact CD2-CE 3.44Å; Y28-M31 VanDerWaalsContact CD2-CE 3.44Å; Y28-M31 HydrophobicContact CE2-CE 3.57Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 2.98Å; M31-A34 PolarHBondContact O-N 2.98Å; M31-F35 HydrophobicContact CG-CD2 3.76Å; M31-F35 HydrophobicContact CG-CE2 3.79Å; M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.49Å; M31-F35 PolarHBondContact O-N 3.38Å; M31-F35 VanDerWaalsContact O-N 3.07Å; M31-F35 HydrophobicContact SD-CE2 4.38Å
32	T	98.4	Very high	98.2	Very high	29 Å²	29	45.7 Å²	45.7	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-42.9	176.3	-57.2	0	0	0	0	111.6	Y28 V29 Y30 H36 L87 W89	Y28-T32 PolarHBondContact O-N 3.09Å; Y28-T32 VanDerWaalsContact O-N 3.14Å; Y28-T32 PolarHBondContact O-OG1 3.32Å; V29-T32 WeakPolarHBondContact O-CB 3.25Å; V29-T32 PolarHBondContact O-N 2.95Å; V29-T32 VanDerWaalsContact O-N 3.1Å; Y30-T32 VanDerWaalsContact C-N 3.27Å; Y30-T32 PolarHBondContact O-N 3.08Å; T32-H36 PolarHBondContact O-N 3.1Å; T32-L87 HydrophobicContact CG2-CD2 3.65Å; T32-W89 HydrophobicContact CG2-CH2 4.11Å; T32-W89 HydrophobicContact CG2-CZ3 4.33Å
33	M	98.7	Very high	98.1	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-48.4	174.3	-69.5	174.3	174.6	0	0	111.2	V29 Y30 F35 H36 F37 F51 W89 D98 A99	V29-M33 HydrophobicContact CG1-CE 3.78Å; V29-M33 HydrophobicContact CG1-SD 4.37Å; V29-M33 PolarHBondContact O-N 3.4Å; Y30-M33 HydrophobicContact CD1-SD 3.88Å; Y30-M33 HydrophobicContact CE1-SD 4.18Å; Y30-M33 WeakPolarHBondContact O-CB 3.24Å; Y30-M33 PolarHBondContact O-N 2.98Å; M33-F35 PolarHBondContact O-N 3.17Å; M33-H36 WeakPolarHBondContact O-CB 3.33Å; M33-H36 PolarHBondContact O-N 3.24Å; M33-F37 VanDerWaalsContact O-CD2 3.22Å; M33-F37 WeakPolarHBondContact O-CD2 3.38Å; M33-F37 PolarHBondContact O-N 2.95Å; M33-F51 HydrophobicContact CB-CB 4.05Å; M33-F51 HydrophobicContact CB-CD1 4.12Å; M33-F51 HydrophobicContact CB-CD2 3.89Å; M33-F51 HydrophobicContact CB-CE2 4.33Å; M33-F51 HydrophobicContact CB-CG 3.76Å; M33-F51 HydrophobicContact SD-CD1 4.02Å; M33-F51 HydrophobicContact SD-CE1 3.84Å; M33-F51 HydrophobicContact SD-CZ 4.3Å; M33-W89 HydrophobicContact CB-CH2 4.22Å; M33-W89 HydrophobicContact CB-CZ3 4.32Å; M33-W89 HydrophobicContact CE-CZ2 3.73Å; M33-W89 HydrophobicContact CG-CE3 4.46Å; M33-W89 HydrophobicContact CG-CH2 3.39Å; M33-W89 HydrophobicContact CG-CZ2 3.48Å; M33-W89 VanDerWaalsContact CG-CZ2 3.48Å; M33-W89 HydrophobicContact CG-CZ3 3.92Å; M33-W89 HydrophobicContact SD-CZ2 4.47Å; M33-D98 HydrophobicContact CE-CB 3.69Å; M33-A99 HydrophobicContact CE-CB 4.5Å; M33-A99 HydrophobicContact SD-CB 4.37Å
34	A	98.5	Very high	98	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.6	-54.3	179.7	0	0	0	0	0	111.4	Y30 M31 H36 F37 N38 Y48 F51 L52	Y30-A34 WeakPolarHBondContact O-CB 3.29Å; Y30-A34 PolarHBondContact O-N 3.29Å; M31-A34 PolarHBondContact O-N 2.98Å; A34-H36 VanDerWaalsContact C-N 3.26Å; A34-H36 PolarHBondContact O-N 3.24Å; A34-F37 PolarHBondContact O-N 3.21Å; A34-F37 VanDerWaalsContact O-N 3.11Å; A34-N38 PolarHBondContact O-N 3.2Å; A34-N38 VanDerWaalsContact O-N 3.14Å; A34-Y48 HydrophobicContact CB-CD2 3.91Å; A34-Y48 HydrophobicContact CB-CE2 4.27Å; A34-Y48 VanDerWaalsContact O-CD2 3.29Å; A34-Y48 WeakPolarHBondContact O-CD2 3.5Å; A34-F51 HydrophobicContact CB-CB 3.83Å; A34-L52 HydrophobicContact CB-CB 4.02Å
35	F	98.2	Very high	98	Very high	104 Å²	104	48.5 Å²	48.5	46%	0.456	25%	0.245	S	C	.	.	H	α-helix	trans	-72.6	-16.7	-177.1	-76.1	-73.7	0	0	0	114	M31 M33 Y48 L52	M31-F35 HydrophobicContact CG-CD2 3.76Å; M31-F35 HydrophobicContact CG-CE2 3.79Å; M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.49Å; M31-F35 PolarHBondContact O-N 3.38Å; M31-F35 VanDerWaalsContact O-N 3.07Å; M31-F35 HydrophobicContact SD-CE2 4.38Å; M33-F35 PolarHBondContact O-N 3.17Å; F35-Y48 HydrophobicContact CD1-CE2 4.39Å; F35-Y48 HydrophobicContact CE1-CE2 4.22Å; F35-Y48 HydrophobicContact CZ-CE2 4.48Å; F35-L52 HydrophobicContact CE2-CD1 4.49Å
36	H	98.6	Very high	98	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-48.9	165.1	169.7	73.4	0	0	0	111.5	T32 M33 A34 N38 R39 W89	T32-H36 PolarHBondContact O-N 3.1Å; M33-H36 WeakPolarHBondContact O-CB 3.33Å; M33-H36 PolarHBondContact O-N 3.24Å; A34-H36 VanDerWaalsContact C-N 3.26Å; A34-H36 PolarHBondContact O-N 3.24Å; H36-N38 PolarHBondContact O-N 3.42Å; H36-R39 WeakPolarHBondContact O-CD 3.29Å; H36-R39 WeakPolarHBondContact O-CG 3.14Å; H36-R39 PolarHBondContact O-N 3.29Å; H36-W89 HydrophobicContact CB-CE3 3.77Å; H36-W89 HydrophobicContact CB-CZ3 3.78Å; H36-W89 AromaticContact CD2-CE3 3.58Å; H36-W89 PolarHBondContact CE1-N 3.28Å; H36-W89 PolarHBondContact CE1-O 3.27Å; H36-W89 AromaticContact CG-CE3 3.6Å; H36-W89 PolarHBondContact NE2-N 3.21Å; H36-W89 PolarHBondContact NE2-O 2.82Å
37	F	98.2	Very high	98	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-71	-17.5	-178.6	-74.8	-74.4	0	0	0	114.2	M33 A34 V42 L44 F47 F51 W89 A95	M33-F37 VanDerWaalsContact O-CD2 3.22Å; M33-F37 WeakPolarHBondContact O-CD2 3.38Å; M33-F37 PolarHBondContact O-N 2.95Å; A34-F37 PolarHBondContact O-N 3.21Å; A34-F37 VanDerWaalsContact O-N 3.11Å; F37-V42 HydrophobicContact CD1-CG1 3.66Å; F37-V42 HydrophobicContact CE1-CG1 4.25Å; F37-V42 HydrophobicContact CG-CG1 4.48Å; F37-L44 HydrophobicContact CD1-CB 3.96Å; F37-L44 HydrophobicContact CD1-CD1 3.89Å; F37-L44 HydrophobicContact CD1-CG 4.48Å; F37-L44 HydrophobicContact CE1-CD1 3.99Å; F37-L44 PolarHBondContact O-N 3.4Å; F37-L44 VanDerWaalsContact O-N 3.15Å; F37-F47 HydrophobicContact CB-CB 3.85Å; F37-F47 HydrophobicContact CD1-CB 3.72Å; F37-F47 HydrophobicContact CD1-CG 4.12Å; F37-F47 HydrophobicContact CD2-CB 3.92Å; F37-F47 HydrophobicContact CE1-CB 4.27Å; F37-F47 HydrophobicContact CE1-CD1 4.46Å; F37-F47 HydrophobicContact CE1-CG 4.21Å; F37-F47 HydrophobicContact CE2-CB 4.48Å; F37-F47 HydrophobicContact CG-CB 3.54Å; F37-F47 HydrophobicContact CG-CG 4.34Å; F37-F47 HydrophobicContact CZ-CD1 4.39Å; F37-F51 AromaticContact CD2-CD2 3.67Å; F37-F51 HydrophobicContact CD2-CD2 3.67Å; F37-F51 AromaticContact CD2-CE2 3.64Å; F37-F51 HydrophobicContact CD2-CE2 3.64Å; F37-F51 AromaticContact CE2-CD2 3.92Å; F37-F51 HydrophobicContact CE2-CD2 3.92Å; F37-F51 AromaticContact CE2-CE2 3.4Å; F37-F51 HydrophobicContact CE2-CE2 3.4Å; F37-F51 HydrophobicContact CE2-CZ 4.4Å; F37-F51 HydrophobicContact CZ-CE2 4.3Å; F37-W89 HydrophobicContact CZ-CB 4.39Å; F37-A95 HydrophobicContact CE2-CB 3.42Å; F37-A95 VanDerWaalsContact CE2-CB 3.42Å; F37-A95 HydrophobicContact CZ-CB 3.47Å; F37-A95 VanDerWaalsContact CZ-CB 3.47Å
38	N	97.4	Very high	98	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.2	176.8	-164.1	-120.1	0	0	0	114.7	A34 H36 Y48	A34-N38 PolarHBondContact O-N 3.2Å; A34-N38 VanDerWaalsContact O-N 3.14Å; H36-N38 PolarHBondContact O-N 3.42Å; N38-Y48 HydrophobicContact CB-CD1 4.36Å; N38-Y48 HydrophobicContact CB-CD2 3.62Å; N38-Y48 HydrophobicContact CB-CE2 4.02Å; N38-Y48 HydrophobicContact CB-CG 3.77Å; N38-Y48 VanDerWaalsContact ND2-CD1 3.34Å; N38-Y48 WeakPolarHBondContact ND2-CD1 3.48Å
39	R	98	Very high	98	Very high	123 Å²	123	45.6 Å²	45.6	46%	0.464	23%	0.234	S	C	.	.	S	Bend	trans	-66.1	151.3	177.7	-63.3	164.6	53.5	132.1	-2.8	111.3	H36 D41 V42 A43	H36-R39 WeakPolarHBondContact O-CD 3.29Å; H36-R39 WeakPolarHBondContact O-CG 3.14Å; H36-R39 PolarHBondContact O-N 3.29Å; R39-D41 VanDerWaalsContact C-N 3.26Å; R39-D41 WeakPolarHBondContact CB-OD1 3.44Å; R39-D41 IonicContact CZ-OD1 3.49Å; R39-D41 IonicContact CZ-OD2 2.65Å; R39-D41 IonicContact NE-OD1 3.75Å; R39-D41 PolarHBondContact NE-OD1 2.88Å; R39-D41 IonicContact NE-OD2 2.78Å; R39-D41 IonicContact NH2-OD1 3.93Å; R39-D41 PolarHBondContact NH2-OD1 2.61Å; R39-D41 IonicContact NH2-OD2 3.35Å; R39-D41 PolarHBondContact NH2-OD2 2.78Å; R39-D41 PolarHBondContact O-N 2.94Å; R39-V42 HydrophobicContact CB-CG2 4.38Å; R39-V42 PolarHBondContact O-N 3.32Å; R39-V42 VanDerWaalsContact O-N 3.16Å; R39-A43 WeakPolarHBondContact O-CA 3.39Å; R39-A43 PolarHBondContact O-N 2.94Å
40	D	97	Very high	98	Very high	153 Å²	153	45.7 Å²	45.7	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-27.9	179.4	65.3	-68.1	0	0	0	113.3	V42	D40-V42 VanDerWaalsContact C-N 3.29Å; D40-V42 PolarHBondContact O-N 2.85Å
41	D	96.5	Very high	98	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.2	176.7	65.6	-22.2	0	0	0	114.1	R39	R39-D41 VanDerWaalsContact C-N 3.26Å; R39-D41 WeakPolarHBondContact CB-OD1 3.44Å; R39-D41 IonicContact CZ-OD1 3.49Å; R39-D41 IonicContact CZ-OD2 2.65Å; R39-D41 IonicContact NE-OD1 3.75Å; R39-D41 PolarHBondContact NE-OD1 2.88Å; R39-D41 IonicContact NE-OD2 2.78Å; R39-D41 IonicContact NH2-OD1 3.93Å; R39-D41 PolarHBondContact NH2-OD1 2.61Å; R39-D41 IonicContact NH2-OD2 3.35Å; R39-D41 PolarHBondContact NH2-OD2 2.78Å; R39-D41 PolarHBondContact O-N 2.94Å
42	V	96.8	Very high	98	Very high	41 Å²	41	44.5 Å²	44.5	25%	0.248	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-52.3	172.9	-175.7	0	0	0	0	110.6	F37 R39 D40 L44	F37-V42 HydrophobicContact CD1-CG1 3.66Å; F37-V42 HydrophobicContact CE1-CG1 4.25Å; F37-V42 HydrophobicContact CG-CG1 4.48Å; R39-V42 HydrophobicContact CB-CG2 4.38Å; R39-V42 PolarHBondContact O-N 3.32Å; R39-V42 VanDerWaalsContact O-N 3.16Å; D40-V42 VanDerWaalsContact C-N 3.29Å; D40-V42 PolarHBondContact O-N 2.85Å; V42-L44 HydrophobicContact CG1-CB 4.47Å; V42-L44 HydrophobicContact CG1-CD1 4.17Å; V42-L44 HydrophobicContact CG1-CG 4.24Å; V42-L44 PolarHBondContact O-N 3.5Å
43	A	96.2	Very high	98	Very high	64 Å²	64	47.7 Å²	47.7	53%	0.529	24%	0.244	S	C	.	.			trans	55.9	41.1	170.4	0	0	0	0	0	115.8	R39	R39-A43 WeakPolarHBondContact O-CA 3.39Å; R39-A43 PolarHBondContact O-N 2.94Å
44	L	97.7	Very high	98	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	24%	0.244	C	C	.	.			trans	-109.9	90.2	178.4	-66.2	175.9	0	0	0	110.6	F37 V42 F47 Y48 E160 D164	F37-L44 HydrophobicContact CD1-CB 3.96Å; F37-L44 HydrophobicContact CD1-CD1 3.89Å; F37-L44 HydrophobicContact CD1-CG 4.48Å; F37-L44 HydrophobicContact CE1-CD1 3.99Å; F37-L44 PolarHBondContact O-N 3.4Å; F37-L44 VanDerWaalsContact O-N 3.15Å; V42-L44 HydrophobicContact CG1-CB 4.47Å; V42-L44 HydrophobicContact CG1-CD1 4.17Å; V42-L44 HydrophobicContact CG1-CG 4.24Å; V42-L44 PolarHBondContact O-N 3.5Å; L44-F47 HydrophobicContact CB-CB 4.29Å; L44-F47 HydrophobicContact CB-CD2 3.97Å; L44-F47 HydrophobicContact CD1-CD2 4.04Å; L44-F47 HydrophobicContact CD1-CE2 4.33Å; L44-F47 PolarHBondContact O-N 3.35Å; L44-Y48 PolarHBondContact O-N 3.14Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; L44-E160 HydrophobicContact CD1-CG 3.99Å; L44-D164 VanDerWaalsContact C-OD1 3.28Å; L44-D164 HydrophobicContact CD2-CB 3.95Å
45	N	97.7	Very high	98	Very high	53 Å²	53	47.8 Å²	47.8	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-73.3	-29.5	-169.1	-172.6	53	0	0	0	113.8	Y48 K49 D164 G170	N45-Y48 PolarHBondContact O-N 3.41Å; N45-K49 WeakPolarHBondContact ND2-CE 3.48Å; N45-K49 WeakPolarHBondContact O-CG 3.31Å; N45-K49 PolarHBondContact O-N 3.34Å; N45-D164 PolarHBondContact N-OD2 2.61Å; N45-G170 PolarHBondContact ND2-O 2.96Å
46	G	98.4	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-46.3	173.9	0	0	0	0	0	111.4	Y48 K49 F50 D164 G170	G46-Y48 PolarHBondContact O-N 3.38Å; G46-K49 PolarHBondContact O-N 3.27Å; G46-F50 VanDerWaalsContact O-CB 3.25Å; G46-F50 WeakPolarHBondContact O-CB 3.34Å; G46-F50 PolarHBondContact O-N 2.9Å; G46-D164 WeakPolarHBondContact CA-OD1 3.41Å; G46-D164 VanDerWaalsContact N-CG 3.32Å; G46-D164 PolarHBondContact N-OD1 2.96Å; G46-D164 PolarHBondContact N-OD2 3.38Å; G46-G170 VanDerWaalsContact N-CA 3.33Å
47	F	98.6	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-43	172.9	-78.6	-83.3	0	0	0	112.3	F37 L44 F50 F51 M96 L151 E160 F163 D164 L168	F37-F47 HydrophobicContact CB-CB 3.85Å; F37-F47 HydrophobicContact CD1-CB 3.72Å; F37-F47 HydrophobicContact CD1-CG 4.12Å; F37-F47 HydrophobicContact CD2-CB 3.92Å; F37-F47 HydrophobicContact CE1-CB 4.27Å; F37-F47 HydrophobicContact CE1-CD1 4.46Å; F37-F47 HydrophobicContact CE1-CG 4.21Å; F37-F47 HydrophobicContact CE2-CB 4.48Å; F37-F47 HydrophobicContact CG-CB 3.54Å; F37-F47 HydrophobicContact CG-CG 4.34Å; F37-F47 HydrophobicContact CZ-CD1 4.39Å; L44-F47 HydrophobicContact CB-CB 4.29Å; L44-F47 HydrophobicContact CB-CD2 3.97Å; L44-F47 HydrophobicContact CD1-CD2 4.04Å; L44-F47 HydrophobicContact CD1-CE2 4.33Å; L44-F47 PolarHBondContact O-N 3.35Å; F47-F50 PolarHBondContact O-N 3.29Å; F47-F51 HydrophobicContact CB-CD2 4.38Å; F47-F51 HydrophobicContact CB-CE2 4.33Å; F47-F51 AromaticContact CD1-CE2 3.73Å; F47-F51 HydrophobicContact CD1-CE2 3.73Å; F47-F51 HydrophobicContact CD1-CZ 4.35Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 3.37Å; F47-M96 HydrophobicContact CD1-CE 3.68Å; F47-M96 HydrophobicContact CE1-CE 3.4Å; F47-M96 VanDerWaalsContact CE1-CE 3.4Å; F47-M96 HydrophobicContact CE1-CG 4.02Å; F47-M96 HydrophobicContact CZ-CE 4.47Å; F47-L151 HydrophobicContact CE1-CD1 4.27Å; F47-L151 HydrophobicContact CZ-CD1 4.02Å; F47-L151 HydrophobicContact CZ-CD2 3.96Å; F47-E160 HydrophobicContact CE2-CG 4.29Å; F47-F163 HydrophobicContact CE1-CE1 4.28Å; F47-F163 AromaticContact CE2-CD1 3.9Å; F47-F163 HydrophobicContact CE2-CD1 3.9Å; F47-F163 HydrophobicContact CE2-CE1 4.38Å; F47-F163 AromaticContact CZ-CD1 3.65Å; F47-F163 HydrophobicContact CZ-CD1 3.65Å; F47-F163 AromaticContact CZ-CE1 3.79Å; F47-F163 HydrophobicContact CZ-CE1 3.79Å; F47-D164 HydrophobicContact CD2-CB 3.99Å; F47-D164 VanDerWaalsContact CD2-OD1 3.29Å; F47-D164 WeakPolarHBondContact CD2-OD1 3.38Å; F47-D164 HydrophobicContact CE2-CB 4.11Å; F47-D164 PolarHBondContact N-OD1 3.13Å; F47-L168 HydrophobicContact CB-CD1 4.23Å; F47-L168 HydrophobicContact CD1-CD1 3.58Å; F47-L168 HydrophobicContact CD2-CD1 3.78Å; F47-L168 HydrophobicContact CE1-CD1 3.82Å; F47-L168 HydrophobicContact CE2-CD1 4Å; F47-L168 HydrophobicContact CG-CD1 3.58Å; F47-L168 HydrophobicContact CZ-CD1 4.02Å
48	Y	98.4	Very high	98	Very high	46 Å²	46	49.9 Å²	49.9	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-55	-55.1	174.3	164.9	-122	0	0	0	111.8	A34 F35 N38 L44 N45 G46 F50 F51 L52	A34-Y48 HydrophobicContact CB-CD2 3.91Å; A34-Y48 HydrophobicContact CB-CE2 4.27Å; A34-Y48 VanDerWaalsContact O-CD2 3.29Å; A34-Y48 WeakPolarHBondContact O-CD2 3.5Å; F35-Y48 HydrophobicContact CD1-CE2 4.39Å; F35-Y48 HydrophobicContact CE1-CE2 4.22Å; F35-Y48 HydrophobicContact CZ-CE2 4.48Å; N38-Y48 HydrophobicContact CB-CD1 4.36Å; N38-Y48 HydrophobicContact CB-CD2 3.62Å; N38-Y48 HydrophobicContact CB-CE2 4.02Å; N38-Y48 HydrophobicContact CB-CG 3.77Å; N38-Y48 VanDerWaalsContact ND2-CD1 3.34Å; N38-Y48 WeakPolarHBondContact ND2-CD1 3.48Å; L44-Y48 PolarHBondContact O-N 3.14Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; N45-Y48 PolarHBondContact O-N 3.41Å; G46-Y48 PolarHBondContact O-N 3.38Å; Y48-F50 VanDerWaalsContact C-N 3.34Å; Y48-F50 PolarHBondContact O-N 3.1Å; Y48-F51 PolarHBondContact O-N 3.24Å; Y48-L52 HydrophobicContact CE2-CB 4.41Å; Y48-L52 HydrophobicContact CE2-CD2 4.09Å; Y48-L52 VanDerWaalsContact O-CB 3.26Å; Y48-L52 WeakPolarHBondContact O-CB 3.27Å; Y48-L52 PolarHBondContact O-N 3.43Å
49	K	98.3	Very high	98.1	Very high	56 Å²	56	50.2 Å²	50.2	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-43.4	-179.7	-73	175.1	175.7	-179.9	0	112	N45 G46 L52 N53 S172	N45-K49 WeakPolarHBondContact ND2-CE 3.48Å; N45-K49 WeakPolarHBondContact O-CG 3.31Å; N45-K49 PolarHBondContact O-N 3.34Å; G46-K49 PolarHBondContact O-N 3.27Å; K49-L52 PolarHBondContact O-N 3.4Å; K49-N53 WeakPolarHBondContact O-CB 3.49Å; K49-N53 VanDerWaalsContact O-CG 3.27Å; K49-N53 PolarHBondContact O-N 2.56Å; K49-N53 PolarHBondContact O-OD1 3.49Å; K49-S172 PolarHBondContact NZ-O 3.43Å; K49-S172 PolarHBondContact NZ-OG 3.05Å
50	F	98.6	Very high	98.1	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-59.1	177.7	172.5	-101.3	0	0	0	110.9	G46 F47 Y48 L52 N53 E54 M96 L144 Y147 L168	G46-F50 VanDerWaalsContact O-CB 3.25Å; G46-F50 WeakPolarHBondContact O-CB 3.34Å; G46-F50 PolarHBondContact O-N 2.9Å; F47-F50 PolarHBondContact O-N 3.29Å; Y48-F50 VanDerWaalsContact C-N 3.34Å; Y48-F50 PolarHBondContact O-N 3.1Å; F50-L52 VanDerWaalsContact C-N 3.28Å; F50-L52 PolarHBondContact O-N 3.49Å; F50-N53 WeakPolarHBondContact O-CB 3.49Å; F50-N53 PolarHBondContact O-N 2.65Å; F50-N53 VanDerWaalsContact O-N 3.11Å; F50-E54 HydrophobicContact CD1-CG 4.43Å; F50-E54 HydrophobicContact CD2-CG 4.32Å; F50-E54 HydrophobicContact CE1-CG 4Å; F50-E54 HydrophobicContact CE2-CG 3.88Å; F50-E54 WeakPolarHBondContact CE2-OE1 3.44Å; F50-E54 HydrophobicContact CZ-CG 3.7Å; F50-E54 WeakPolarHBondContact O-CG 3.29Å; F50-E54 PolarHBondContact O-N 3.09Å; F50-M96 HydrophobicContact CD1-CE 3.56Å; F50-M96 HydrophobicContact CD1-SD 4.46Å; F50-M96 HydrophobicContact CE1-CE 3.48Å; F50-M96 VanDerWaalsContact CE1-CE 3.48Å; F50-M96 HydrophobicContact CE1-SD 3.82Å; F50-M96 HydrophobicContact CG-CE 4.35Å; F50-M96 HydrophobicContact CZ-CE 4.22Å; F50-M96 HydrophobicContact CZ-SD 4.4Å; F50-L144 HydrophobicContact CE1-CD2 4.17Å; F50-L144 HydrophobicContact CZ-CD2 3.87Å; F50-Y147 HydrophobicContact CD2-CE2 4.28Å; F50-Y147 HydrophobicContact CE2-CD2 4.47Å; F50-Y147 AromaticContact CE2-CE2 3.72Å; F50-Y147 HydrophobicContact CE2-CE2 3.72Å; F50-Y147 HydrophobicContact CZ-CD2 4.33Å; F50-Y147 HydrophobicContact CZ-CE2 4.01Å; F50-L168 HydrophobicContact CB-CD1 4.23Å; F50-L168 HydrophobicContact CB-CD2 4.24Å; F50-L168 HydrophobicContact CD2-CD2 4.14Å; F50-L168 HydrophobicContact CG-CD2 4.16Å
51	F	98.7	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-28.2	-177.9	-69.2	-55.4	0	0	0	113.2	Y30 M33 A34 F37 F47 Y48 S55 A95 M96 A99	Y30-F51 AromaticContact CD1-CD1 3.59Å; Y30-F51 HydrophobicContact CD1-CD1 3.59Å; Y30-F51 HydrophobicContact CD1-CE1 4.26Å; Y30-F51 HydrophobicContact CD1-CG 4.49Å; Y30-F51 AromaticContact CE1-CD1 3.8Å; Y30-F51 HydrophobicContact CE1-CD1 3.8Å; Y30-F51 HydrophobicContact CE1-CE1 4.08Å; M33-F51 HydrophobicContact CB-CB 4.05Å; M33-F51 HydrophobicContact CB-CD1 4.12Å; M33-F51 HydrophobicContact CB-CD2 3.89Å; M33-F51 HydrophobicContact CB-CE2 4.33Å; M33-F51 HydrophobicContact CB-CG 3.76Å; M33-F51 HydrophobicContact SD-CD1 4.02Å; M33-F51 HydrophobicContact SD-CE1 3.84Å; M33-F51 HydrophobicContact SD-CZ 4.3Å; A34-F51 HydrophobicContact CB-CB 3.83Å; F37-F51 AromaticContact CD2-CD2 3.67Å; F37-F51 HydrophobicContact CD2-CD2 3.67Å; F37-F51 AromaticContact CD2-CE2 3.64Å; F37-F51 HydrophobicContact CD2-CE2 3.64Å; F37-F51 AromaticContact CE2-CD2 3.92Å; F37-F51 HydrophobicContact CE2-CD2 3.92Å; F37-F51 AromaticContact CE2-CE2 3.4Å; F37-F51 HydrophobicContact CE2-CE2 3.4Å; F37-F51 HydrophobicContact CE2-CZ 4.4Å; F37-F51 HydrophobicContact CZ-CE2 4.3Å; F47-F51 HydrophobicContact CB-CD2 4.38Å; F47-F51 HydrophobicContact CB-CE2 4.33Å; F47-F51 AromaticContact CD1-CE2 3.73Å; F47-F51 HydrophobicContact CD1-CE2 3.73Å; F47-F51 HydrophobicContact CD1-CZ 4.35Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 3.37Å; Y48-F51 PolarHBondContact O-N 3.24Å; F51-S55 WeakPolarHBondContact O-CB 3.38Å; F51-S55 PolarHBondContact O-N 2.78Å; F51-A95 HydrophobicContact CE2-CB 4Å; F51-A95 HydrophobicContact CZ-CB 3.85Å; F51-M96 HydrophobicContact CE1-SD 4.35Å; F51-M96 HydrophobicContact CZ-CE 4.04Å; F51-M96 HydrophobicContact CZ-CG 4.48Å; F51-M96 HydrophobicContact CZ-SD 4.07Å; F51-A99 HydrophobicContact CE1-CB 4.05Å
52	L	98.6	Very high	98.3	Very high	44 Å²	44	38.5 Å²	38.5	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-43.3	172.5	-172.3	65	0	0	0	110.7	A34 F35 Y48 K49 F50 S55 E56	A34-L52 HydrophobicContact CB-CB 4.02Å; F35-L52 HydrophobicContact CE2-CD1 4.49Å; Y48-L52 HydrophobicContact CE2-CB 4.41Å; Y48-L52 HydrophobicContact CE2-CD2 4.09Å; Y48-L52 VanDerWaalsContact O-CB 3.26Å; Y48-L52 WeakPolarHBondContact O-CB 3.27Å; Y48-L52 PolarHBondContact O-N 3.43Å; K49-L52 PolarHBondContact O-N 3.4Å; F50-L52 VanDerWaalsContact C-N 3.28Å; F50-L52 PolarHBondContact O-N 3.49Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.24Å; L52-E56 WeakPolarHBondContact O-CG 3.39Å; L52-E56 PolarHBondContact O-N 3.4Å
53	N	98.5	Very high	98.4	Very high	95 Å²	95	39.9 Å²	39.9	51%	0.508	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-44.1	176.1	-72.7	-1.4	0	0	0	111.8	K49 F50 S55 E56 E57	K49-N53 WeakPolarHBondContact O-CB 3.49Å; K49-N53 VanDerWaalsContact O-CG 3.27Å; K49-N53 PolarHBondContact O-N 2.56Å; K49-N53 PolarHBondContact O-OD1 3.49Å; F50-N53 WeakPolarHBondContact O-CB 3.49Å; F50-N53 PolarHBondContact O-N 2.65Å; F50-N53 VanDerWaalsContact O-N 3.11Å; N53-S55 VanDerWaalsContact C-N 3.28Å; N53-S55 PolarHBondContact O-N 3Å; N53-E56 WeakPolarHBondContact O-CA 3.44Å; N53-E56 WeakPolarHBondContact O-CB 3.5Å; N53-E56 PolarHBondContact O-N 3.22Å; N53-E56 VanDerWaalsContact O-N 3.08Å; N53-E57 WeakPolarHBondContact O-CG 3.39Å; N53-E57 PolarHBondContact O-N 3.24Å
54	E	98.6	Very high	98.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-36.9	177	-56.2	-76.1	150.8	0	0	110.4	Y30 F50 E56 E57 E58 K143	Y30-E54 HydrophobicContact CD1-CB 4.02Å; Y30-E54 HydrophobicContact CD2-CB 3.98Å; Y30-E54 HydrophobicContact CE1-CB 4.08Å; Y30-E54 HydrophobicContact CE2-CB 4.05Å; Y30-E54 HydrophobicContact CG-CB 3.97Å; F50-E54 HydrophobicContact CD1-CG 4.43Å; F50-E54 HydrophobicContact CD2-CG 4.32Å; F50-E54 HydrophobicContact CE1-CG 4Å; F50-E54 HydrophobicContact CE2-CG 3.88Å; F50-E54 WeakPolarHBondContact CE2-OE1 3.44Å; F50-E54 HydrophobicContact CZ-CG 3.7Å; F50-E54 WeakPolarHBondContact O-CG 3.29Å; F50-E54 PolarHBondContact O-N 3.09Å; E54-E56 VanDerWaalsContact C-N 3.33Å; E54-E56 PolarHBondContact O-N 3.26Å; E54-E57 PolarHBondContact O-N 3.04Å; E54-E58 WeakPolarHBondContact O-CG 3.39Å; E54-E58 PolarHBondContact O-N 3.26Å; E54-K143 IonicContact OE1-NZ 3.75Å; E54-K143 PolarHBondContact OE1-NZ 2.95Å
55	S	98.8	Very high	98.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-40.4	171.6	-177.5	0	0	0	0	113.3	S27 F51 L52 N53 R59	S27-S55 WeakPolarHBondContact CB-O 3.32Å; S27-S55 WeakPolarHBondContact O-CB 3.42Å; S27-S55 PolarHBondContact O-OG 3.49Å; S27-S55 PolarHBondContact OG-O 2.95Å; S27-S55 PolarHBondContact OG-OG 3Å; F51-S55 WeakPolarHBondContact O-CB 3.38Å; F51-S55 PolarHBondContact O-N 2.78Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.24Å; N53-S55 VanDerWaalsContact C-N 3.28Å; N53-S55 PolarHBondContact O-N 3Å; S55-R59 PolarHBondContact O-N 2.9Å
56	E	98.7	Very high	98.6	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-66	-45.1	174.9	-68.7	-62.1	130.3	0	0	111.8	L52 N53 E54 R59 Q60	L52-E56 WeakPolarHBondContact O-CG 3.39Å; L52-E56 PolarHBondContact O-N 3.4Å; N53-E56 WeakPolarHBondContact O-CA 3.44Å; N53-E56 WeakPolarHBondContact O-CB 3.5Å; N53-E56 PolarHBondContact O-N 3.22Å; N53-E56 VanDerWaalsContact O-N 3.08Å; E54-E56 VanDerWaalsContact C-N 3.33Å; E54-E56 PolarHBondContact O-N 3.26Å; E56-R59 VanDerWaalsContact CD-CZ 3.46Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.43Å; E56-R59 PolarHBondContact O-N 3.45Å; E56-R59 IonicContact OE1-CZ 3.6Å; E56-R59 IonicContact OE1-NH1 3.74Å; E56-R59 PolarHBondContact OE1-NH1 3.48Å; E56-R59 IonicContact OE1-NH2 2.61Å; E56-R59 PolarHBondContact OE1-NH2 2.95Å; E56-R59 IonicContact OE2-CZ 3.89Å; E56-R59 IonicContact OE2-NH1 2.78Å; E56-R59 PolarHBondContact OE2-NH1 2.9Å; E56-R59 IonicContact OE2-NH2 3.1Å; E56-R59 PolarHBondContact OE2-NH2 3.4Å; E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 3.23Å
57	E	98.5	Very high	98.6	Very high	89 Å²	89	43 Å²	43	42%	0.416	21%	0.206	S	C	.	.	H	α-helix	trans	-59.5	-48.7	178.3	-72.7	-178.7	-173.4	0	0	111.3	N53 E54 R59 Q60 H61	N53-E57 WeakPolarHBondContact O-CG 3.39Å; N53-E57 PolarHBondContact O-N 3.24Å; E54-E57 PolarHBondContact O-N 3.04Å; E57-R59 VanDerWaalsContact C-N 3.25Å; E57-R59 PolarHBondContact O-N 3.23Å; E57-Q60 CarbonylContact O-C 3.6Å; E57-Q60 WeakPolarHBondContact O-CA 3.49Å; E57-Q60 WeakPolarHBondContact O-CB 3.33Å; E57-Q60 PolarHBondContact O-N 3.21Å; E57-H61 PolarHBondContact O-CD2 3.29Å; E57-H61 PolarHBondContact O-N 3.05Å
58	E	98.7	Very high	98.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-34	177.2	-66.3	-48.4	149.3	0	0	113	A26 Y30 E54 Q60 H61 A62	A26-E58 HydrophobicContact CB-CB 4.28Å; A26-E58 HydrophobicContact CB-CG 3.89Å; Y30-E58 HydrophobicContact CD2-CG 3.78Å; Y30-E58 HydrophobicContact CE2-CG 3.88Å; E54-E58 WeakPolarHBondContact O-CG 3.39Å; E54-E58 PolarHBondContact O-N 3.26Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.07Å; E58-H61 WeakPolarHBondContact O-CB 3.48Å; E58-H61 PolarHBondContact O-N 3.05Å; E58-H61 IonicContact OE1-CE1 2.61Å; E58-H61 IonicContact OE1-ND1 3.13Å; E58-H61 IonicContact OE2-CE1 2.94Å; E58-H61 IonicContact OE2-CG 2.56Å; E58-H61 IonicContact OE2-ND1 3.22Å; E58-H61 PolarHBondContact OE2-ND1 3.47Å; E58-A62 PolarHBondContact O-N 2.88Å
59	R	98.7	Very high	98.7	Very high	82 Å²	82	41 Å²	41	31%	0.309	20%	0.198	S	C	.	.	H	α-helix	trans	-67.9	-35.8	173.7	-165.7	166.8	65.5	-110.3	16.7	111.9	L24 S55 E56 E57 H61 A62 I63	L24-R59 HydrophobicContact CD2-CG 4.5Å; S55-R59 PolarHBondContact O-N 2.9Å; E56-R59 VanDerWaalsContact CD-CZ 3.46Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.43Å; E56-R59 PolarHBondContact O-N 3.45Å; E56-R59 IonicContact OE1-CZ 3.6Å; E56-R59 IonicContact OE1-NH1 3.74Å; E56-R59 PolarHBondContact OE1-NH1 3.48Å; E56-R59 IonicContact OE1-NH2 2.61Å; E56-R59 PolarHBondContact OE1-NH2 2.95Å; E56-R59 IonicContact OE2-CZ 3.89Å; E56-R59 IonicContact OE2-NH1 2.78Å; E56-R59 PolarHBondContact OE2-NH1 2.9Å; E56-R59 IonicContact OE2-NH2 3.1Å; E56-R59 PolarHBondContact OE2-NH2 3.4Å; E57-R59 VanDerWaalsContact C-N 3.25Å; E57-R59 PolarHBondContact O-N 3.23Å; R59-H61 VanDerWaalsContact C-N 3.35Å; R59-A62 WeakPolarHBondContact O-CB 3.47Å; R59-A62 PolarHBondContact O-N 3.16Å; R59-I63 HydrophobicContact CG-CD1 4.42Å; R59-I63 VanDerWaalsContact O-CG1 3.31Å; R59-I63 WeakPolarHBondContact O-CG1 3.43Å; R59-I63 PolarHBondContact O-N 2.92Å; R59-I63 VanDerWaalsContact O-N 3.09Å
60	Q	98.7	Very high	98.7	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-67.8	-35.1	172.8	-63.7	-52.9	-40	0	0	111.9	E56 E57 E58 I63 K64	E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 3.23Å; E57-Q60 CarbonylContact O-C 3.6Å; E57-Q60 WeakPolarHBondContact O-CA 3.49Å; E57-Q60 WeakPolarHBondContact O-CB 3.33Å; E57-Q60 PolarHBondContact O-N 3.21Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.07Å; Q60-I63 PolarHBondContact O-N 3.23Å; Q60-K64 WeakPolarHBondContact O-CB 3.47Å; Q60-K64 PolarHBondContact O-N 3.06Å
61	H	98.6	Very high	98.6	Very high	30 Å²	30	47 Å²	47	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-47.8	171.5	-61.4	161	0	0	0	111.1	E23 E57 E58 R59 I63 K64 L65 Y133	E23-H61 HydrophobicContact CB-CB 4.26Å; E23-H61 HydrophobicContact CG-CB 3.92Å; E57-H61 PolarHBondContact O-CD2 3.29Å; E57-H61 PolarHBondContact O-N 3.05Å; E58-H61 WeakPolarHBondContact O-CB 3.48Å; E58-H61 PolarHBondContact O-N 3.05Å; E58-H61 IonicContact OE1-CE1 2.61Å; E58-H61 IonicContact OE1-ND1 3.13Å; E58-H61 IonicContact OE2-CE1 2.94Å; E58-H61 IonicContact OE2-CG 2.56Å; E58-H61 IonicContact OE2-ND1 3.22Å; E58-H61 PolarHBondContact OE2-ND1 3.47Å; R59-H61 VanDerWaalsContact C-N 3.35Å; H61-I63 VanDerWaalsContact C-N 3.35Å; H61-I63 PolarHBondContact O-N 2.86Å; H61-K64 WeakPolarHBondContact O-CB 3.33Å; H61-K64 PolarHBondContact O-N 2.66Å; H61-L65 PolarHBondContact O-N 2.99Å; H61-Y133 HydrophobicContact CB-CE1 4.02Å; H61-Y133 PolarHBondContact O-OH 3.15Å
62	A	98.8	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-46.2	174.7	0	0	0	0	0	112.5	E23 L24 E58 R59 K64 L65 M66	E23-A62 HydrophobicContact CB-CB 3.86Å; L24-A62 HydrophobicContact CD2-CB 3.7Å; L24-A62 HydrophobicContact CG-CB 3.74Å; E58-A62 PolarHBondContact O-N 2.88Å; R59-A62 WeakPolarHBondContact O-CB 3.47Å; R59-A62 PolarHBondContact O-N 3.16Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 2.9Å; A62-L65 PolarHBondContact O-N 3.47Å; A62-M66 HydrophobicContact CB-CE 4.4Å; A62-M66 WeakPolarHBondContact O-CG 3.44Å; A62-M66 PolarHBondContact O-N 3.44Å
63	I	98.8	Very high	98.6	Very high	71 Å²	71	46.2 Å²	46.2	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-38.7	179.1	-68.8	164.6	0	0	0	111.4	R59 Q60 H61 M66 T67	R59-I63 HydrophobicContact CG-CD1 4.42Å; R59-I63 VanDerWaalsContact O-CG1 3.31Å; R59-I63 WeakPolarHBondContact O-CG1 3.43Å; R59-I63 PolarHBondContact O-N 2.92Å; R59-I63 VanDerWaalsContact O-N 3.09Å; Q60-I63 PolarHBondContact O-N 3.23Å; H61-I63 VanDerWaalsContact C-N 3.35Å; H61-I63 PolarHBondContact O-N 2.86Å; I63-M66 PolarHBondContact O-N 3.25Å; I63-T67 WeakPolarHBondContact O-CB 3.34Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 3.18Å
64	K	98.8	Very high	98.6	Very high	63 Å²	63	41.7 Å²	41.7	27%	0.274	20%	0.203	S	C	.	.	H	α-helix	trans	-65.1	-41.2	177.1	-172.4	-179.1	-175.9	-179.5	0	111.2	Q60 H61 A62 T67 Y68 F128 E132 Y133	Q60-K64 WeakPolarHBondContact O-CB 3.47Å; Q60-K64 PolarHBondContact O-N 3.06Å; H61-K64 WeakPolarHBondContact O-CB 3.33Å; H61-K64 PolarHBondContact O-N 2.66Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 2.9Å; K64-T67 PolarHBondContact O-N 3.46Å; K64-Y68 WeakPolarHBondContact O-CB 3.48Å; K64-Y68 PolarHBondContact O-N 2.89Å; K64-F128 HydrophobicContact CG-CZ 4.44Å; K64-E132 WeakPolarHBondContact CE-OE2 3.27Å; K64-E132 PolarHBondContact NZ-O 2.96Å; K64-E132 IonicContact NZ-OE2 3.08Å; K64-E132 PolarHBondContact NZ-OE2 3.02Å; K64-Y133 VanDerWaalsContact CB-OH 3.31Å; K64-Y133 WeakPolarHBondContact CB-OH 3.13Å; K64-Y133 HydrophobicContact CD-CE2 4.42Å; K64-Y133 WeakPolarHBondContact CD-OH 3.43Å; K64-Y133 VanDerWaalsContact CG-OH 3.29Å; K64-Y133 WeakPolarHBondContact CG-OH 3.49Å
65	L	98.9	Very high	98.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-42.6	171.9	-70.7	173.2	0	0	0	112.4	V16 Q19 I20 E23 H61 A62 T67 Y68 Q69 F128 I129 Y133	V16-L65 HydrophobicContact CG1-CB 4.19Å; V16-L65 HydrophobicContact CG1-CD2 4.43Å; Q19-L65 HydrophobicContact CB-CD1 3.9Å; Q19-L65 HydrophobicContact CG-CD1 3.52Å; I20-L65 HydrophobicContact CD1-CB 4.14Å; I20-L65 HydrophobicContact CG1-CB 3.46Å; I20-L65 VanDerWaalsContact CG1-CB 3.46Å; I20-L65 HydrophobicContact CG1-CD1 4.1Å; I20-L65 HydrophobicContact CG1-CG 4.43Å; E23-L65 HydrophobicContact CG-CD1 3.77Å; H61-L65 PolarHBondContact O-N 2.99Å; A62-L65 PolarHBondContact O-N 3.47Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.11Å; L65-Y68 WeakPolarHBondContact O-CB 3.27Å; L65-Y68 PolarHBondContact O-N 3.17Å; L65-Q69 WeakPolarHBondContact O-CB 3.43Å; L65-Q69 PolarHBondContact O-N 3.03Å; L65-F128 HydrophobicContact CD2-CE1 4.15Å; L65-I129 HydrophobicContact CD2-CD1 4.13Å; L65-Y133 HydrophobicContact CD1-CE1 4.25Å; L65-Y133 HydrophobicContact CD2-CE1 3.99Å; L65-Y133 HydrophobicContact CD2-CE2 3.98Å; L65-Y133 WeakPolarHBondContact CD2-OH 3.08Å; L65-Y133 HydrophobicContact CG-CE1 3.85Å; L65-Y133 VanDerWaalsContact CG-OH 3.27Å; L65-Y133 WeakPolarHBondContact CG-OH 3.25Å; L65-Y133 PolarHBondContact N-OH 3.16Å
66	M	98.8	Very high	98.6	Very high	38 Å²	38	50.8 Å²	50.8	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-42.2	175.1	-71.2	179	-157.1	0	0	112	I20 L24 A62 I63 Y68 Q69 N70 I76 L78	I20-M66 HydrophobicContact CD1-CB 4.46Å; I20-M66 HydrophobicContact CD1-CG 3.73Å; I20-M66 HydrophobicContact CG1-CG 4.13Å; I20-M66 HydrophobicContact CG2-CE 3.45Å; I20-M66 VanDerWaalsContact CG2-CE 3.45Å; I20-M66 HydrophobicContact CG2-CG 4.13Å; L24-M66 HydrophobicContact CD1-CE 4.09Å; A62-M66 HydrophobicContact CB-CE 4.4Å; A62-M66 WeakPolarHBondContact O-CG 3.44Å; A62-M66 PolarHBondContact O-N 3.44Å; I63-M66 PolarHBondContact O-N 3.25Å; M66-Y68 VanDerWaalsContact C-N 3.35Å; M66-Q69 WeakPolarHBondContact O-CB 3.44Å; M66-Q69 PolarHBondContact O-N 3.4Å; M66-N70 PolarHBondContact O-N 2.96Å; M66-N70 VanDerWaalsContact O-N 3.17Å; M66-I76 HydrophobicContact CB-CD1 3.72Å; M66-I76 HydrophobicContact CB-CG1 4.4Å; M66-I76 HydrophobicContact CG-CD1 4.04Å; M66-I76 HydrophobicContact CG-CG1 4.44Å; M66-I76 HydrophobicContact CG-CG2 4.31Å; M66-L78 HydrophobicContact CE-CD2 3.69Å
67	T	98.8	Very high	98.6	Very high	91 Å²	91	51.4 Å²	51.4	56%	0.558	25%	0.249	S	C	*	.	H	α-helix	trans	-62.6	-45.2	176.2	-58	0	0	0	0	110.5	I63 K64 L65 N70 M71	I63-T67 WeakPolarHBondContact O-CB 3.34Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 3.18Å; K64-T67 PolarHBondContact O-N 3.46Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.11Å; T67-N70 PolarHBondContact O-N 3.28Å; T67-M71 WeakPolarHBondContact O-CB 3.5Å; T67-M71 PolarHBondContact O-N 3.38Å
68	Y	98.7	Very high	98.5	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-43.8	176.1	179.5	-98.2	0	0	0	113	K64 L65 M66 N70 M71 R72 H124 F125 F128	K64-Y68 WeakPolarHBondContact O-CB 3.48Å; K64-Y68 PolarHBondContact O-N 2.89Å; L65-Y68 WeakPolarHBondContact O-CB 3.27Å; L65-Y68 PolarHBondContact O-N 3.17Å; M66-Y68 VanDerWaalsContact C-N 3.35Å; Y68-N70 VanDerWaalsContact C-N 3.32Å; Y68-N70 PolarHBondContact O-N 2.87Å; Y68-M71 HydrophobicContact CD2-CE 3.41Å; Y68-M71 VanDerWaalsContact CD2-CE 3.41Å; Y68-M71 HydrophobicContact CE2-CE 3.55Å; Y68-M71 HydrophobicContact CG-CE 4.47Å; Y68-M71 WeakPolarHBondContact O-CB 3.37Å; Y68-M71 PolarHBondContact O-N 2.94Å; Y68-M71 VanDerWaalsContact O-N 3.15Å; Y68-R72 HydrophobicContact CD1-CG 4.3Å; Y68-R72 HydrophobicContact CD2-CG 4.37Å; Y68-R72 HydrophobicContact CE1-CG 3.79Å; Y68-R72 HydrophobicContact CE2-CG 3.84Å; Y68-R72 PolarHBondContact O-N 2.77Å; Y68-R72 PolarHBondContact OH-NH1 2.92Å; Y68-H124 AromaticContact CE2-CE1 3.85Å; Y68-H124 AromaticContact CE2-ND1 3.94Å; Y68-F125 AromaticContact CE1-CD2 3.74Å; Y68-F125 HydrophobicContact CE1-CD2 3.74Å; Y68-F125 HydrophobicContact CE1-CE2 4.03Å; Y68-F125 VanDerWaalsContact OH-CA 3.24Å; Y68-F125 WeakPolarHBondContact OH-CA 3.37Å; Y68-F125 WeakPolarHBondContact OH-CD2 3.31Å; Y68-F128 AromaticContact CD1-CD1 3.89Å; Y68-F128 HydrophobicContact CD1-CD1 3.89Å; Y68-F128 AromaticContact CD1-CE1 3.63Å; Y68-F128 HydrophobicContact CD1-CE1 3.63Å; Y68-F128 HydrophobicContact CD1-CZ 4.28Å; Y68-F128 HydrophobicContact CD2-CB 4.49Å; Y68-F128 AromaticContact CD2-CD1 3.58Å; Y68-F128 HydrophobicContact CD2-CD1 3.58Å; Y68-F128 AromaticContact CD2-CD2 3.69Å; Y68-F128 HydrophobicContact CD2-CD2 3.69Å; Y68-F128 AromaticContact CD2-CE1 3.54Å; Y68-F128 HydrophobicContact CD2-CE1 3.54Å; Y68-F128 AromaticContact CD2-CE2 3.65Å; Y68-F128 HydrophobicContact CD2-CE2 3.65Å; Y68-F128 AromaticContact CD2-CG 3.64Å; Y68-F128 HydrophobicContact CD2-CG 3.64Å; Y68-F128 AromaticContact CD2-CZ 3.57Å; Y68-F128 HydrophobicContact CD2-CZ 3.57Å; Y68-F128 AromaticContact CE1-CD1 3.86Å; Y68-F128 HydrophobicContact CE1-CD1 3.86Å; Y68-F128 HydrophobicContact CE1-CE1 4.1Å; Y68-F128 HydrophobicContact CE2-CB 3.86Å; Y68-F128 AromaticContact CE2-CD1 3.57Å; Y68-F128 HydrophobicContact CE2-CD1 3.57Å; Y68-F128 AromaticContact CE2-CD2 3.89Å; Y68-F128 HydrophobicContact CE2-CD2 3.89Å; Y68-F128 HydrophobicContact CE2-CE1 4.04Å; Y68-F128 HydrophobicContact CE2-CE2 4.32Å; Y68-F128 AromaticContact CE2-CG 3.48Å; Y68-F128 HydrophobicContact CE2-CG 3.48Å; Y68-F128 VanDerWaalsContact CE2-CG 3.48Å; Y68-F128 HydrophobicContact CE2-CZ 4.38Å; Y68-F128 AromaticContact CG-CD1 3.75Å; Y68-F128 HydrophobicContact CG-CD1 3.75Å; Y68-F128 HydrophobicContact CG-CD2 4.45Å; Y68-F128 AromaticContact CG-CE1 3.33Å; Y68-F128 HydrophobicContact CG-CE1 3.33Å; Y68-F128 HydrophobicContact CG-CE2 4.1Å; Y68-F128 HydrophobicContact CG-CG 4.29Å; Y68-F128 AromaticContact CG-CZ 3.52Å; Y68-F128 HydrophobicContact CG-CZ 3.52Å; Y68-F128 AromaticContact CZ-CD1 3.71Å; Y68-F128 AromaticContact CZ-CG 3.98Å
69	Q	98.7	Very high	98.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-53.5	-49.1	175.9	-173.8	73.9	0.9	0	0	111.2	Y8 E13 V16 L65 M66 R72 G73 G74 R75 I76	Y8-Q69 PolarHBondContact OH-OE1 3.3Å; E13-Q69 VanDerWaalsContact CG-NE2 3.3Å; E13-Q69 PolarHBondContact O-NE2 3.08Å; V16-Q69 HydrophobicContact CG1-CB 4.17Å; L65-Q69 WeakPolarHBondContact O-CB 3.43Å; L65-Q69 PolarHBondContact O-N 3.03Å; M66-Q69 WeakPolarHBondContact O-CB 3.44Å; M66-Q69 PolarHBondContact O-N 3.4Å; Q69-R72 PolarHBondContact O-N 3.34Å; Q69-G73 PolarHBondContact O-N 3.13Å; Q69-G74 WeakPolarHBondContact O-CA 3.37Å; Q69-G74 PolarHBondContact O-N 3.42Å; Q69-R75 PolarHBondContact NE2-O 3.45Å; Q69-I76 HydrophobicContact CB-CG1 4.14Å; Q69-I76 HydrophobicContact CG-CG1 3.9Å
70	N	98.3	Very high	98.4	Very high	94 Å²	94	61 Å²	61	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-42.1	177.9	-76.7	-23.5	0	0	0	111.8	M66 T67 Y68 R72 G73	M66-N70 PolarHBondContact O-N 2.96Å; M66-N70 VanDerWaalsContact O-N 3.17Å; T67-N70 PolarHBondContact O-N 3.28Å; Y68-N70 VanDerWaalsContact C-N 3.32Å; Y68-N70 PolarHBondContact O-N 2.87Å; N70-R72 VanDerWaalsContact C-N 3.3Å; N70-R72 PolarHBondContact O-N 2.67Å; N70-G73 PolarHBondContact O-N 3.5Å
71	M	98.1	Very high	98.4	Very high	104 Å²	104	59.5 Å²	59.5	51%	0.512	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-42.5	177	-176.7	-173.8	74.7	0	0	111.9	T67 Y68 G73	T67-M71 WeakPolarHBondContact O-CB 3.5Å; T67-M71 PolarHBondContact O-N 3.38Å; Y68-M71 HydrophobicContact CD2-CE 3.41Å; Y68-M71 VanDerWaalsContact CD2-CE 3.41Å; Y68-M71 HydrophobicContact CE2-CE 3.55Å; Y68-M71 HydrophobicContact CG-CE 4.47Å; Y68-M71 WeakPolarHBondContact O-CB 3.37Å; Y68-M71 PolarHBondContact O-N 2.94Å; Y68-M71 VanDerWaalsContact O-N 3.15Å; M71-G73 PolarHBondContact O-N 2.83Å
72	R	98.1	Very high	98.2	Very high	25 Å²	25	61.9 Å²	61.9	9%	0.094	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.2	177.6	-63.2	-59.6	-56.7	-80.7	-3.3	114.1	Q6 N7 Y8 Y68 Q69 N70 D122	Q6-R72 PolarHBondContact O-NH2 3.31Å; N7-R72 PolarHBondContact O-NH2 3.09Å; Y8-R72 HydrophobicContact CD1-CB 3.67Å; Y8-R72 HydrophobicContact CD2-CB 4.02Å; Y8-R72 HydrophobicContact CD2-CG 4.38Å; Y8-R72 HydrophobicContact CE1-CB 3.81Å; Y8-R72 HydrophobicContact CE2-CB 4.18Å; Y8-R72 HydrophobicContact CE2-CG 4.43Å; Y8-R72 HydrophobicContact CG-CB 3.8Å; Y68-R72 HydrophobicContact CD1-CG 4.3Å; Y68-R72 HydrophobicContact CD2-CG 4.37Å; Y68-R72 HydrophobicContact CE1-CG 3.79Å; Y68-R72 HydrophobicContact CE2-CG 3.84Å; Y68-R72 PolarHBondContact O-N 2.77Å; Y68-R72 PolarHBondContact OH-NH1 2.92Å; Q69-R72 PolarHBondContact O-N 3.34Å; N70-R72 VanDerWaalsContact C-N 3.3Å; N70-R72 PolarHBondContact O-N 2.67Å; R72-D122 IonicContact CZ-OD1 3.82Å; R72-D122 IonicContact CZ-OD2 3.65Å; R72-D122 VanDerWaalsContact CZ-OD2 3.3Å; R72-D122 IonicContact NH1-OD1 3.3Å; R72-D122 PolarHBondContact NH1-OD1 3.45Å; R72-D122 VanDerWaalsContact NH1-OD1 3.08Å; R72-D122 IonicContact NH1-OD2 3.79Å; R72-D122 PolarHBondContact NH1-OD2 3.25Å; R72-D122 IonicContact NH2-OD1 3.23Å; R72-D122 PolarHBondContact NH2-OD1 3.32Å; R72-D122 IonicContact NH2-OD2 2.77Å; R72-D122 PolarHBondContact NH2-OD2 2.94Å
73	G	98.3	Very high	98.1	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	20.3	178	0	0	0	0	0	114.7	S2 C4 R5 Q69 N70 M71 R75	S2-G73 WeakPolarHBondContact CB-O 3.4Å; S2-G73 WeakPolarHBondContact OG-CA 3.39Å; C4-G73 WeakPolarHBondContact SG-CA 3.43Å; R5-G73 PolarHBondContact NH1-O 3.29Å; Q69-G73 PolarHBondContact O-N 3.13Å; N70-G73 PolarHBondContact O-N 3.5Å; M71-G73 PolarHBondContact O-N 2.83Å; G73-R75 PolarHBondContact O-NH1 2.7Å
74	G	98.3	Very high	97.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.01	34%	0.335	C	S	.	.			trans	-77.6	-177.3	170.8	0	0	0	0	0	113.2	Q69	Q69-G74 WeakPolarHBondContact O-CA 3.37Å; Q69-G74 PolarHBondContact O-N 3.42Å
75	R	98.3	Very high	97.5	Very high	139 Å²	139	65.1 Å²	65.1	53%	0.525	36%	0.358	S	S	.	.			trans	-121.3	136.3	173.2	-62	-64.1	175.8	-89.7	3.9	109.1	E13 N17 Q69 G73	E13-R75 WeakPolarHBondContact OE1-CB 3.43Å; E13-R75 PolarHBondContact OE1-N 2.93Å; N17-R75 PolarHBondContact ND2-O 3.27Å; N17-R75 PolarHBondContact OD1-O 3.07Å; Q69-R75 PolarHBondContact NE2-O 3.45Å; G73-R75 PolarHBondContact O-NH1 2.7Å
76	I	98.6	Very high	97.4	Very high	57 Å²	57	68.9 Å²	68.9	29%	0.292	38%	0.375	S	S	.	.			trans	-82.3	127.7	174.1	-60.8	162.9	0	0	0	107.7	N17 M66 Q69 L78	N17-I76 WeakPolarHBondContact OD1-CA 3.45Å; M66-I76 HydrophobicContact CB-CD1 3.72Å; M66-I76 HydrophobicContact CB-CG1 4.4Å; M66-I76 HydrophobicContact CG-CD1 4.04Å; M66-I76 HydrophobicContact CG-CG1 4.44Å; M66-I76 HydrophobicContact CG-CG2 4.31Å; Q69-I76 HydrophobicContact CB-CG1 4.14Å; Q69-I76 HydrophobicContact CG-CG1 3.9Å; I76-L78 HydrophobicContact CG2-CD2 3.73Å; I76-L78 HydrophobicContact CG2-CG 4.08Å
77	V	98.3	Very high	97.2	Very high	85 Å²	85	72.4 Å²	72.4	52%	0.515	40%	0.395	S	S	.	.			trans	-128.8	98.4	173.8	-176.6	0	0	0	0	107.4	N17	N17-V77 PolarHBondContact OD1-N 3.47Å
78	L	97.9	Very high	97.1	Very high	109 Å²	109	71 Å²	71	57%	0.571	39%	0.388	S	S	*	.			trans	-73.1	150.9	178.2	-57.5	179.9	0	0	0	110.6	I20 L24 M66 I76	I20-L78 HydrophobicContact CG2-CD2 3.98Å; L24-L78 HydrophobicContact CD1-CD2 4.46Å; M66-L78 HydrophobicContact CE-CD2 3.69Å; I76-L78 HydrophobicContact CG2-CD2 3.73Å; I76-L78 HydrophobicContact CG2-CG 4.08Å
79	Q	97.2	Very high	97	Very high	117 Å²	117	71.3 Å²	71.3	55%	0.547	39%	0.389	S	S	.	.			trans	-122.4	170.7	177.7	-63.1	-176.7	-12.2	0	0	110	N21	N21-Q79 PolarHBondContact OD1-O 2.93Å
80	D	98.1	Very high	96.9	Very high	149 Å²	149	78.6 Å²	78.6	80%	0.797	43%	0.428	S	S	*	.			trans	-64.1	137.2	172.8	-65.5	-23.6	0	0	0	110.2	N21	N21-D80 PolarHBondContact ND2-O 2.92Å
81	I	98.1	Very high	96.8	Very high	70 Å²	70	74.9 Å²	74.9	36%	0.359	41%	0.409	S	S	.	.			trans	-92.3	109.6	172.9	-54.3	169.5	0	0	0	107.4	L24 Y25 Y28	L24-I81 HydrophobicContact CB-CD1 3.79Å; L24-I81 HydrophobicContact CB-CG1 4.17Å; L24-I81 HydrophobicContact CD1-CD1 4.36Å; Y25-I81 HydrophobicContact CD2-CG2 4.49Å; Y28-I81 HydrophobicContact CD1-CG2 3.66Å; Y28-I81 HydrophobicContact CE1-CG2 4.48Å; Y28-I81 HydrophobicContact CG-CG2 4Å
82	S	94.7	Very high	96.8	Very high	80 Å²	80	69.9 Å²	69.9	56%	0.559	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-60.9	140.5	177.5	-64.7	0	0	0	0	111.4	Y25	Y25-S82 WeakPolarHBondContact CD2-O 3.39Å
83	A	95.5	Very high	96.8	Very high	76 Å²	76	70.2 Å²	70.2	63%	0.628	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-60.8	136.2	171.8	0	0	0	0	0	110.6
84	P	94.7	Very high	96.8	Very high	10 Å²	10	73 Å²	73	7%	0.065	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-58.3	134.8	173.2	-27	38	0	0	0	110.6	Y28 V29 Q86	Y28-P84 HydrophobicContact CD1-CG 4.17Å; V29-P84 HydrophobicContact CB-CG 4.35Å; V29-P84 HydrophobicContact CG2-CB 3.98Å; V29-P84 HydrophobicContact CG2-CG 3.83Å; P84-Q86 VanDerWaalsContact C-N 3.3Å; P84-Q86 PolarHBondContact O-N 3.19Å
85	P	92.1	Very high	96.9	Very high	116 Å²	116	73 Å²	73	75%	0.753	40%	0.4	S	S	*	.	S	Bend	trans	-71.2	-27.6	-178.8	28.1	-34.7	0	0	0	112.7
86	Q	95.2	Very high	96.9	Very high	78 Å²	78	66.3 Å²	66.3	36%	0.364	38%	0.375	S	S	.	.			trans	-104.3	127.2	-179.6	-168.5	66	29.2	0	0	109.7	P84 S88 W89	P84-Q86 VanDerWaalsContact C-N 3.3Å; P84-Q86 PolarHBondContact O-N 3.19Å; Q86-S88 PolarHBondContact NE2-O 2.91Å; Q86-W89 HydrophobicContact CB-CZ2 4.02Å; Q86-W89 HydrophobicContact CG-CD2 4.45Å; Q86-W89 HydrophobicContact CG-CH2 4.46Å; Q86-W89 HydrophobicContact CG-CZ2 3.74Å; Q86-W89 WeakPolarHBondContact O-CH2 3.47Å
87	L	95.2	Very high	96.9	Very high	113 Å²	113	67.2 Å²	67.2	59%	0.592	38%	0.378	S	S	*	.			trans	-120.2	-3.4	-176.6	-56.8	-178.9	0	0	0	113.8	T32	T32-L87 HydrophobicContact CG2-CD2 3.65Å
88	S	96.3	Very high	96.9	Very high	60 Å²	60	65.3 Å²	65.3	42%	0.42	37%	0.365	S	S	.	.			trans	-152.2	144.4	-176.6	59.7	0	0	0	0	111.8	Q86	Q86-S88 PolarHBondContact NE2-O 2.91Å
89	W	97.7	Very high	96.9	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.045	34%	0.338	C	S	.	.			trans	-124.6	145.2	179.1	-66.2	-95.2	0	0	0	110.4	T32 M33 H36 F37 Q86 S91 H94 A95 D98	T32-W89 HydrophobicContact CG2-CH2 4.11Å; T32-W89 HydrophobicContact CG2-CZ3 4.33Å; M33-W89 HydrophobicContact CB-CH2 4.22Å; M33-W89 HydrophobicContact CB-CZ3 4.32Å; M33-W89 HydrophobicContact CE-CZ2 3.73Å; M33-W89 HydrophobicContact CG-CE3 4.46Å; M33-W89 HydrophobicContact CG-CH2 3.39Å; M33-W89 HydrophobicContact CG-CZ2 3.48Å; M33-W89 VanDerWaalsContact CG-CZ2 3.48Å; M33-W89 HydrophobicContact CG-CZ3 3.92Å; M33-W89 HydrophobicContact SD-CZ2 4.47Å; H36-W89 HydrophobicContact CB-CE3 3.77Å; H36-W89 HydrophobicContact CB-CZ3 3.78Å; H36-W89 AromaticContact CD2-CE3 3.58Å; H36-W89 PolarHBondContact CE1-N 3.28Å; H36-W89 PolarHBondContact CE1-O 3.27Å; H36-W89 AromaticContact CG-CE3 3.6Å; H36-W89 PolarHBondContact NE2-N 3.21Å; H36-W89 PolarHBondContact NE2-O 2.82Å; F37-W89 HydrophobicContact CZ-CB 4.39Å; Q86-W89 HydrophobicContact CB-CZ2 4.02Å; Q86-W89 HydrophobicContact CG-CD2 4.45Å; Q86-W89 HydrophobicContact CG-CH2 4.46Å; Q86-W89 HydrophobicContact CG-CZ2 3.74Å; Q86-W89 WeakPolarHBondContact O-CH2 3.47Å; W89-S91 VanDerWaalsContact C-N 3.3Å; W89-H94 AromaticContact CD1-CG 3.88Å; W89-H94 AromaticContact CD1-ND1 3.57Å; W89-A95 HydrophobicContact CB-CB 4.11Å; W89-A95 HydrophobicContact CD2-CB 4.24Å; W89-A95 HydrophobicContact CG-CB 3.75Å; W89-D98 PolarHBondContact NE1-OD2 2.94Å
90	N	95.1	Very high	97	Very high	154 Å²	154	55.2 Å²	55.2	82%	0.824	32%	0.315	S	S	*	.	S	Bend	trans	-81.9	-15.1	178.3	-66.2	-26.7	0	0	0	112.4
91	S	97.6	Very high	97	Very high	15 Å²	15	51.8 Å²	51.8	11%	0.105	30%	0.297	C	S	.	.	S	Bend	trans	-163.3	157.7	179.4	62	0	0	0	0	110.3	W89 L93 H94 A95 E160	W89-S91 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 2.94Å; S91-H94 PolarHBondContact O-N 3.27Å; S91-H94 PolarHBondContact OG-N 3.42Å; S91-A95 PolarHBondContact O-N 3.5Å; S91-A95 VanDerWaalsContact O-N 3.15Å; S91-E160 VanDerWaalsContact CA-OE1 3.31Å; S91-E160 WeakPolarHBondContact CA-OE1 3.34Å; S91-E160 VanDerWaalsContact CB-OE1 3.26Å; S91-E160 WeakPolarHBondContact CB-OE1 3.08Å
92	G	98.1	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-31.5	165.5	0	0	0	0	0	112.6	A95 M96 E160	G92-A95 PolarHBondContact O-N 3.12Å; G92-M96 WeakPolarHBondContact O-CB 3.48Å; G92-M96 WeakPolarHBondContact O-CG 3.47Å; G92-M96 PolarHBondContact O-N 2.99Å; G92-E160 PolarHBondContact N-OE1 3.21Å
93	L	98.6	Very high	97.2	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-48.2	173.4	176.2	58.8	0	0	0	111.6	S91 A95 M96 Q97 I148 L151 I152	S91-L93 PolarHBondContact O-N 2.94Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-M96 PolarHBondContact O-N 2.94Å; L93-Q97 HydrophobicContact CD1-CG 4.37Å; L93-Q97 WeakPolarHBondContact O-CG 3.39Å; L93-Q97 PolarHBondContact O-N 3.14Å; L93-I148 HydrophobicContact CD1-CB 4.37Å; L93-I148 HydrophobicContact CD1-CG2 3.79Å; L93-L151 HydrophobicContact CB-CB 4.13Å; L93-L151 HydrophobicContact CD1-CB 3.98Å; L93-I152 HydrophobicContact CD1-CD1 4.42Å; L93-I152 HydrophobicContact CD1-CG1 3.82Å; L93-I152 HydrophobicContact CD2-CG1 3.86Å
94	H	98.1	Very high	97.4	Very high	61 Å²	61	46.2 Å²	46.2	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-42.2	178.9	-175.3	-149	0	0	0	111	W89 S91 M96 Q97 D98	W89-H94 AromaticContact CD1-CG 3.88Å; W89-H94 AromaticContact CD1-ND1 3.57Å; S91-H94 PolarHBondContact O-N 3.27Å; S91-H94 PolarHBondContact OG-N 3.42Å; H94-M96 PolarHBondContact O-N 3.1Å; H94-Q97 PolarHBondContact O-N 3.34Å; H94-D98 IonicContact NE2-OD1 3.64Å; H94-D98 IonicContact NE2-OD2 3.95Å; H94-D98 PolarHBondContact O-N 3.07Å
95	A	98.5	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-40.8	176.9	0	0	0	0	0	113	F37 F51 W89 S91 G92 L93 Q97 D98 A99	F37-A95 HydrophobicContact CE2-CB 3.42Å; F37-A95 VanDerWaalsContact CE2-CB 3.42Å; F37-A95 HydrophobicContact CZ-CB 3.47Å; F37-A95 VanDerWaalsContact CZ-CB 3.47Å; F51-A95 HydrophobicContact CE2-CB 4Å; F51-A95 HydrophobicContact CZ-CB 3.85Å; W89-A95 HydrophobicContact CB-CB 4.11Å; W89-A95 HydrophobicContact CD2-CB 4.24Å; W89-A95 HydrophobicContact CG-CB 3.75Å; S91-A95 PolarHBondContact O-N 3.5Å; S91-A95 VanDerWaalsContact O-N 3.15Å; G92-A95 PolarHBondContact O-N 3.12Å; L93-A95 VanDerWaalsContact C-N 3.34Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; A95-Q97 PolarHBondContact O-N 3.5Å; A95-D98 PolarHBondContact O-N 2.98Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.35Å
96	M	98.6	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-32.7	177	-70.8	-72.4	179.6	0	0	112.4	F47 F50 F51 G92 L93 H94 L100 L144 Y147 I148 L151 L168	F47-M96 HydrophobicContact CD1-CE 3.68Å; F47-M96 HydrophobicContact CE1-CE 3.4Å; F47-M96 VanDerWaalsContact CE1-CE 3.4Å; F47-M96 HydrophobicContact CE1-CG 4.02Å; F47-M96 HydrophobicContact CZ-CE 4.47Å; F50-M96 HydrophobicContact CD1-CE 3.56Å; F50-M96 HydrophobicContact CD1-SD 4.46Å; F50-M96 HydrophobicContact CE1-CE 3.48Å; F50-M96 VanDerWaalsContact CE1-CE 3.48Å; F50-M96 HydrophobicContact CE1-SD 3.82Å; F50-M96 HydrophobicContact CG-CE 4.35Å; F50-M96 HydrophobicContact CZ-CE 4.22Å; F50-M96 HydrophobicContact CZ-SD 4.4Å; F51-M96 HydrophobicContact CE1-SD 4.35Å; F51-M96 HydrophobicContact CZ-CE 4.04Å; F51-M96 HydrophobicContact CZ-CG 4.48Å; F51-M96 HydrophobicContact CZ-SD 4.07Å; G92-M96 WeakPolarHBondContact O-CB 3.48Å; G92-M96 WeakPolarHBondContact O-CG 3.47Å; G92-M96 PolarHBondContact O-N 2.99Å; L93-M96 PolarHBondContact O-N 2.94Å; H94-M96 PolarHBondContact O-N 3.1Å; M96-L100 WeakPolarHBondContact O-CB 3.43Å; M96-L100 PolarHBondContact O-N 3.4Å; M96-L144 HydrophobicContact SD-CD2 3.72Å; M96-Y147 HydrophobicContact CE-CD2 3.89Å; M96-Y147 HydrophobicContact SD-CD2 3.96Å; M96-I148 HydrophobicContact CB-CG1 3.73Å; M96-L151 HydrophobicContact CB-CD1 4.22Å; M96-L151 HydrophobicContact CG-CD1 3.69Å; M96-L168 HydrophobicContact CE-CD1 4.04Å
97	Q	98.7	Very high	98	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-46.3	172.7	-73.4	170.5	-14.6	0	0	111.4	L93 H94 A95 A99 L100 D101 I148	L93-Q97 HydrophobicContact CD1-CG 4.37Å; L93-Q97 WeakPolarHBondContact O-CG 3.39Å; L93-Q97 PolarHBondContact O-N 3.14Å; H94-Q97 PolarHBondContact O-N 3.34Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; A95-Q97 PolarHBondContact O-N 3.5Å; Q97-A99 VanDerWaalsContact C-N 3.32Å; Q97-A99 PolarHBondContact O-N 3.46Å; Q97-L100 PolarHBondContact O-N 2.99Å; Q97-D101 PolarHBondContact O-N 3.31Å; Q97-I148 HydrophobicContact CG-CD1 4.04Å; Q97-I148 HydrophobicContact CG-CG1 4.22Å; Q97-I148 HydrophobicContact CG-CG2 4.23Å
98	D	98.5	Very high	98.2	Very high	45 Å²	45	43 Å²	43	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-39.7	175.7	-80.3	-6.9	0	0	0	111.9	M33 W89 H94 A95 D101 L102	M33-D98 HydrophobicContact CE-CB 3.69Å; W89-D98 PolarHBondContact NE1-OD2 2.94Å; H94-D98 IonicContact NE2-OD1 3.64Å; H94-D98 IonicContact NE2-OD2 3.95Å; H94-D98 PolarHBondContact O-N 3.07Å; A95-D98 PolarHBondContact O-N 2.98Å; D98-D101 PolarHBondContact O-N 2.88Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 PolarHBondContact O-N 3.09Å
99	A	98.7	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-48	173.1	0	0	0	0	0	111.2	Y30 M33 F51 A95 Q97 D101 L102 E103 L144	Y30-A99 HydrophobicContact CE1-CB 3.81Å; M33-A99 HydrophobicContact CE-CB 4.5Å; M33-A99 HydrophobicContact SD-CB 4.37Å; F51-A99 HydrophobicContact CE1-CB 4.05Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.35Å; Q97-A99 VanDerWaalsContact C-N 3.32Å; Q97-A99 PolarHBondContact O-N 3.46Å; A99-D101 VanDerWaalsContact C-N 3.28Å; A99-D101 PolarHBondContact O-N 3.44Å; A99-L102 WeakPolarHBondContact O-CB 3.33Å; A99-L102 PolarHBondContact O-N 2.83Å; A99-L102 VanDerWaalsContact O-N 3.15Å; A99-E103 WeakPolarHBondContact O-CG 3.36Å; A99-E103 PolarHBondContact O-N 3.44Å; A99-L144 HydrophobicContact CB-CD1 4.2Å; A99-L144 HydrophobicContact CB-CD2 4.05Å
100	L	98.8	Very high	98.3	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-38	177.3	178.3	61.7	0	0	0	112.3	M96 Q97 E103 K104 M141 L144 I148	M96-L100 WeakPolarHBondContact O-CB 3.43Å; M96-L100 PolarHBondContact O-N 3.4Å; Q97-L100 PolarHBondContact O-N 2.99Å; L100-E103 PolarHBondContact O-N 3.3Å; L100-K104 HydrophobicContact CG-CD 4.48Å; L100-K104 VanDerWaalsContact O-CG 3.32Å; L100-K104 WeakPolarHBondContact O-CG 3.44Å; L100-K104 PolarHBondContact O-N 3.02Å; L100-M141 HydrophobicContact CD1-CB 3.96Å; L100-M141 HydrophobicContact CD1-CG 4.08Å; L100-L144 HydrophobicContact CB-CB 4.25Å; L100-L144 HydrophobicContact CB-CD1 4.43Å; L100-L144 HydrophobicContact CD1-CB 4.23Å; L100-I148 HydrophobicContact CB-CD1 3.85Å; L100-I148 HydrophobicContact CD2-CD1 3.53Å; L100-I148 HydrophobicContact CG-CD1 4.33Å
101	D	98.5	Very high	98.5	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	18%	0.178	S	C	.	.	H	α-helix	trans	-73.1	-30.2	177.6	-77.6	-9	0	0	0	112.8	Q97 D98 A99 K104 K105	Q97-D101 PolarHBondContact O-N 3.31Å; D98-D101 PolarHBondContact O-N 2.88Å; A99-D101 VanDerWaalsContact C-N 3.28Å; A99-D101 PolarHBondContact O-N 3.44Å; D101-K104 IonicContact OD1-NZ 2.73Å; D101-K104 PolarHBondContact OD1-NZ 3.32Å; D101-K105 WeakPolarHBondContact O-CD 3.3Å; D101-K105 VanDerWaalsContact O-CG 3.3Å; D101-K105 WeakPolarHBondContact O-CG 3.43Å; D101-K105 PolarHBondContact O-N 2.95Å
102	L	98.4	Very high	98.6	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-52.3	167.5	175.3	65.1	0	0	0	110.5	M22 Y25 A26 V29 Y30 D98 A99 K104 K105 V106	M22-L102 HydrophobicContact CE-CD1 4.18Å; Y25-L102 HydrophobicContact CD1-CD1 4.34Å; Y25-L102 HydrophobicContact CE1-CD1 4.08Å; A26-L102 HydrophobicContact CB-CD1 4.21Å; A26-L102 HydrophobicContact CB-CD2 4.03Å; A26-L102 HydrophobicContact CB-CG 4.29Å; V29-L102 HydrophobicContact CB-CD2 3.94Å; V29-L102 HydrophobicContact CG1-CD2 3.89Å; Y30-L102 HydrophobicContact CD2-CD2 4.27Å; Y30-L102 HydrophobicContact CE2-CD2 3.96Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 PolarHBondContact O-N 3.09Å; A99-L102 WeakPolarHBondContact O-CB 3.33Å; A99-L102 PolarHBondContact O-N 2.83Å; A99-L102 VanDerWaalsContact O-N 3.15Å; L102-K104 VanDerWaalsContact C-N 3.29Å; L102-K104 PolarHBondContact O-N 3.11Å; L102-K105 WeakPolarHBondContact O-CA 3.39Å; L102-K105 WeakPolarHBondContact O-CB 3.29Å; L102-K105 PolarHBondContact O-N 3.32Å; L102-V106 HydrophobicContact CD1-CG2 4.48Å; L102-V106 PolarHBondContact O-N 3.43Å
103	E	98.7	Very high	98.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-39.4	179.9	-70.1	-41.4	120.6	0	0	112.5	Y30 A99 L100 K105 V106 N107 Q137 M141 L144	Y30-E103 WeakPolarHBondContact CE2-OE1 3.31Å; Y30-E103 VanDerWaalsContact CZ-OE1 3.24Å; Y30-E103 VanDerWaalsContact OH-CD 3.29Å; Y30-E103 WeakPolarHBondContact OH-CG 3.4Å; Y30-E103 PolarHBondContact OH-OE1 3.16Å; A99-E103 WeakPolarHBondContact O-CG 3.36Å; A99-E103 PolarHBondContact O-N 3.44Å; L100-E103 PolarHBondContact O-N 3.3Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 2.98Å; E103-V106 PolarHBondContact O-N 2.64Å; E103-N107 VanDerWaalsContact O-CB 3.31Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.91Å; E103-Q137 PolarHBondContact O-NE2 3.47Å; E103-Q137 PolarHBondContact OE2-NE2 3.37Å; E103-M141 HydrophobicContact CB-CG 3.85Å; E103-L144 HydrophobicContact CB-CD1 4.26Å; E103-L144 HydrophobicContact CG-CD1 3.42Å; E103-L144 VanDerWaalsContact CG-CD1 3.42Å
104	K	98.7	Very high	98.6	Very high	98 Å²	98	39.7 Å²	39.7	43%	0.426	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-36.1	173.9	-75.4	169.9	-174.7	161.4	0	112.7	L100 D101 L102 Q108 M141	L100-K104 HydrophobicContact CG-CD 4.48Å; L100-K104 VanDerWaalsContact O-CG 3.32Å; L100-K104 WeakPolarHBondContact O-CG 3.44Å; L100-K104 PolarHBondContact O-N 3.02Å; D101-K104 IonicContact OD1-NZ 2.73Å; D101-K104 PolarHBondContact OD1-NZ 3.32Å; L102-K104 VanDerWaalsContact C-N 3.29Å; L102-K104 PolarHBondContact O-N 3.11Å; K104-Q108 WeakPolarHBondContact O-CB 3.26Å; K104-Q108 PolarHBondContact O-N 3.48Å; K104-M141 HydrophobicContact CG-SD 3.76Å
105	K	98.5	Very high	98.6	Very high	134 Å²	134	39.1 Å²	39.1	58%	0.583	20%	0.196	S	C	*	.	H	α-helix	trans	-71	-41.9	176.7	-69.1	164.3	-172.4	165.6	0	111	M22 D101 L102 E103 Q108 S109	M22-K105 HydrophobicContact CE-CB 3.94Å; D101-K105 WeakPolarHBondContact O-CD 3.3Å; D101-K105 VanDerWaalsContact O-CG 3.3Å; D101-K105 WeakPolarHBondContact O-CG 3.43Å; D101-K105 PolarHBondContact O-N 2.95Å; L102-K105 WeakPolarHBondContact O-CA 3.39Å; L102-K105 WeakPolarHBondContact O-CB 3.29Å; L102-K105 PolarHBondContact O-N 3.32Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 2.98Å; K105-Q108 PolarHBondContact O-N 2.96Å; K105-S109 WeakPolarHBondContact O-CB 3.36Å; K105-S109 PolarHBondContact O-N 2.86Å
106	V	98.6	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-50.7	173.4	177.8	0	0	0	0	109.5	M22 E23 A26 L102 E103 Q108 S109 L110 Q137	M22-V106 HydrophobicContact CE-CB 4.38Å; M22-V106 HydrophobicContact CE-CG2 3.51Å; M22-V106 HydrophobicContact CG-CG2 4.19Å; E23-V106 WeakPolarHBondContact OE2-CG1 3.42Å; A26-V106 HydrophobicContact CB-CG2 4.14Å; L102-V106 HydrophobicContact CD1-CG2 4.48Å; L102-V106 PolarHBondContact O-N 3.43Å; E103-V106 PolarHBondContact O-N 2.64Å; V106-Q108 VanDerWaalsContact C-N 3.35Å; V106-Q108 PolarHBondContact O-N 3.38Å; V106-S109 WeakPolarHBondContact O-CB 3.48Å; V106-S109 PolarHBondContact O-N 3.2Å; V106-S109 VanDerWaalsContact O-N 3.12Å; V106-L110 HydrophobicContact CG1-CD1 4.07Å; V106-L110 WeakPolarHBondContact O-CG 3.47Å; V106-L110 PolarHBondContact O-N 3.33Å; V106-Q137 VanDerWaalsContact CG1-OE1 3.26Å
107	N	98.6	Very high	98.6	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-45	176.6	-168	65.8	0	0	0	113	E103 S109 L110 M111 L134 Q137 M141	E103-N107 VanDerWaalsContact O-CB 3.31Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.91Å; N107-S109 VanDerWaalsContact C-N 3.35Å; N107-S109 PolarHBondContact O-N 3.38Å; N107-L110 PolarHBondContact O-N 2.96Å; N107-M111 WeakPolarHBondContact ND2-CE 3.39Å; N107-M111 WeakPolarHBondContact O-CG 3.35Å; N107-M111 PolarHBondContact O-N 3.3Å; N107-L134 VanDerWaalsContact OD1-CD2 3.3Å; N107-L134 WeakPolarHBondContact OD1-CD2 3.36Å; N107-Q137 HydrophobicContact CB-CG 3.38Å; N107-Q137 WeakPolarHBondContact OD1-CG 3.32Å; N107-M141 HydrophobicContact CB-CE 4.15Å; N107-M141 HydrophobicContact CB-SD 4.27Å
108	Q	98.7	Very high	98.6	Very high	95 Å²	95	42.8 Å²	42.8	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-41.4	177.8	-174.6	58.5	58.4	0	0	111.8	K104 K105 V106 L110 M111 E112	K104-Q108 WeakPolarHBondContact O-CB 3.26Å; K104-Q108 PolarHBondContact O-N 3.48Å; K105-Q108 PolarHBondContact O-N 2.96Å; V106-Q108 VanDerWaalsContact C-N 3.35Å; V106-Q108 PolarHBondContact O-N 3.38Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 3.38Å; Q108-M111 HydrophobicContact CB-CE 4.38Å; Q108-M111 PolarHBondContact O-N 3Å; Q108-M111 VanDerWaalsContact OE1-CE 3.22Å; Q108-E112 WeakPolarHBondContact O-CG 3.08Å; Q108-E112 PolarHBondContact O-N 3.36Å
109	S	98.6	Very high	98.6	Very high	14 Å²	14	47 Å²	47	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-38.4	175	-173.5	0	0	0	0	112	Q19 K105 V106 N107 E112 L113	Q19-S109 VanDerWaalsContact OE1-CB 3.27Å; Q19-S109 PolarHBondContact OE1-OG 3.26Å; K105-S109 WeakPolarHBondContact O-CB 3.36Å; K105-S109 PolarHBondContact O-N 2.86Å; V106-S109 WeakPolarHBondContact O-CB 3.48Å; V106-S109 PolarHBondContact O-N 3.2Å; V106-S109 VanDerWaalsContact O-N 3.12Å; N107-S109 VanDerWaalsContact C-N 3.35Å; N107-S109 PolarHBondContact O-N 3.38Å; S109-E112 PolarHBondContact O-N 2.54Å; S109-L113 WeakPolarHBondContact O-CB 3.5Å; S109-L113 PolarHBondContact O-N 2.83Å
110	L	98.8	Very high	98.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-41.9	174.2	-71.1	166.3	0	0	0	112.3	Q19 V106 N107 Q108 E112 L113 V114 I129 Y133 L134 Q137	Q19-L110 HydrophobicContact CG-CD2 3.85Å; V106-L110 HydrophobicContact CG1-CD1 4.07Å; V106-L110 WeakPolarHBondContact O-CG 3.47Å; V106-L110 PolarHBondContact O-N 3.33Å; N107-L110 PolarHBondContact O-N 2.96Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 3.38Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 2.94Å; L110-L113 WeakPolarHBondContact O-CA 3.3Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.41Å; L110-L113 PolarHBondContact O-N 3.33Å; L110-L113 VanDerWaalsContact O-N 3.13Å; L110-V114 WeakPolarHBondContact O-CG2 3.29Å; L110-V114 PolarHBondContact O-N 3.31Å; L110-I129 HydrophobicContact CB-CG2 4.46Å; L110-I129 HydrophobicContact CD2-CG2 4.03Å; L110-Y133 HydrophobicContact CD2-CD1 4.19Å; L110-Y133 HydrophobicContact CD2-CG 4.11Å; L110-L134 HydrophobicContact CB-CD2 3.59Å; L110-L134 HydrophobicContact CB-CG 4.23Å; L110-L134 HydrophobicContact CD1-CD2 4.28Å; L110-Q137 HydrophobicContact CD1-CG 4.45Å
111	M	98.6	Very high	98.6	Very high	78 Å²	78	58 Å²	58	38%	0.384	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-40.3	175.4	-70.6	-173.3	-64.8	0	0	111.9	N107 Q108 L113 V114 A115 L134	N107-M111 WeakPolarHBondContact ND2-CE 3.39Å; N107-M111 WeakPolarHBondContact O-CG 3.35Å; N107-M111 PolarHBondContact O-N 3.3Å; Q108-M111 HydrophobicContact CB-CE 4.38Å; Q108-M111 PolarHBondContact O-N 3Å; Q108-M111 VanDerWaalsContact OE1-CE 3.22Å; M111-L113 VanDerWaalsContact C-N 3.28Å; M111-L113 PolarHBondContact O-N 3.47Å; M111-V114 PolarHBondContact O-N 3.31Å; M111-A115 PolarHBondContact O-N 2.9Å; M111-A115 VanDerWaalsContact O-N 3.09Å; M111-L134 HydrophobicContact CG-CD1 4.4Å; M111-L134 HydrophobicContact CG-CD2 3.94Å
112	E	98.7	Very high	98.6	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-39.9	171.6	-72.3	170.5	-165.5	0	0	111.4	K18 Q108 S109 L110 A115 V116	K18-E112 IonicContact NZ-OE2 3.93Å; Q108-E112 WeakPolarHBondContact O-CG 3.08Å; Q108-E112 PolarHBondContact O-N 3.36Å; S109-E112 PolarHBondContact O-N 2.54Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 2.94Å; E112-A115 WeakPolarHBondContact O-CB 3.14Å; E112-A115 PolarHBondContact O-N 3.18Å; E112-V116 PolarHBondContact O-N 3.41Å
113	L	98.7	Very high	98.6	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-43.2	177.1	-172.2	60.7	0	0	0	111.8	G15 V16 Q19 S109 L110 M111 A115 V116 G117 F125 I129	G15-L113 VanDerWaalsContact CA-CD1 3.49Å; V16-L113 HydrophobicContact CG2-CD2 4.39Å; Q19-L113 HydrophobicContact CB-CD2 3.93Å; Q19-L113 HydrophobicContact CG-CD2 4.14Å; S109-L113 WeakPolarHBondContact O-CB 3.5Å; S109-L113 PolarHBondContact O-N 2.83Å; L110-L113 WeakPolarHBondContact O-CA 3.3Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.41Å; L110-L113 PolarHBondContact O-N 3.33Å; L110-L113 VanDerWaalsContact O-N 3.13Å; M111-L113 VanDerWaalsContact C-N 3.28Å; M111-L113 PolarHBondContact O-N 3.47Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.95Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.33Å; L113-V116 VanDerWaalsContact O-N 3.16Å; L113-G117 PolarHBondContact O-N 3.14Å; L113-F125 HydrophobicContact CD1-CE1 4.2Å; L113-F125 HydrophobicContact CD1-CZ 3.65Å; L113-F125 HydrophobicContact CD2-CZ 4.16Å; L113-F125 HydrophobicContact CG-CE1 3.91Å; L113-F125 HydrophobicContact CG-CZ 3.65Å; L113-F125 WeakPolarHBondContact O-CE1 3.36Å; L113-I129 HydrophobicContact CD2-CD1 3.78Å; L113-I129 HydrophobicContact CD2-CG1 4.19Å
114	V	98.7	Very high	98.5	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-44.1	173.8	173.1	0	0	0	0	111.1	L110 M111 V116 G117 E118 C126 I129 N130 L134	L110-V114 WeakPolarHBondContact O-CG2 3.29Å; L110-V114 PolarHBondContact O-N 3.31Å; M111-V114 PolarHBondContact O-N 3.31Å; V114-V116 PolarHBondContact O-N 3.11Å; V114-G117 WeakPolarHBondContact O-CA 3.48Å; V114-G117 PolarHBondContact O-N 2.96Å; V114-E118 HydrophobicContact CG1-CG 4.23Å; V114-E118 PolarHBondContact O-N 2.82Å; V114-C126 HydrophobicContact CG1-CB 4.44Å; V114-I129 HydrophobicContact CG2-CB 3.85Å; V114-I129 HydrophobicContact CG2-CG2 3.51Å; V114-N130 WeakPolarHBondContact CG2-OD1 3.48Å; V114-L134 HydrophobicContact CG2-CD1 3.82Å
115	A	98.7	Very high	98.5	Very high	49 Å²	49	58.8 Å²	58.8	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-31.5	177.9	0	0	0	0	0	112.9	M111 E112 L113 R119	M111-A115 PolarHBondContact O-N 2.9Å; M111-A115 VanDerWaalsContact O-N 3.09Å; E112-A115 WeakPolarHBondContact O-CB 3.14Å; E112-A115 PolarHBondContact O-N 3.18Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.95Å; A115-R119 WeakPolarHBondContact O-CB 3.47Å; A115-R119 PolarHBondContact O-N 3.06Å
116	V	98.7	Very high	98.5	Very high	24 Å²	24	53 Å²	53	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-46.2	170.8	179.3	0	0	0	0	110.8	E11 E112 L113 V114 E118 R119 H120	E11-V116 HydrophobicContact CB-CG1 3.78Å; E112-V116 PolarHBondContact O-N 3.41Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.33Å; L113-V116 VanDerWaalsContact O-N 3.16Å; V114-V116 PolarHBondContact O-N 3.11Å; V116-E118 PolarHBondContact O-N 2.96Å; V116-R119 PolarHBondContact O-N 3.2Å; V116-H120 PolarHBondContact O-CD2 2.72Å; V116-H120 PolarHBondContact O-N 3.15Å
117	G	98.7	Very high	98.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-45.2	175.8	0	0	0	0	0	112.9	L113 V114 H120 R121 D122	L113-G117 PolarHBondContact O-N 3.14Å; V114-G117 WeakPolarHBondContact O-CA 3.48Å; V114-G117 PolarHBondContact O-N 2.96Å; G117-H120 CarbonylContact O-C 3.56Å; G117-H120 PolarHBondContact O-N 2.9Å; G117-R121 PolarHBondContact O-N 3.03Å; G117-D122 PolarHBondContact O-N 3.44Å
118	E	98.5	Very high	98.5	Very high	127 Å²	127	57.8 Å²	57.8	59%	0.593	28%	0.279	S	S	*	.	H	α-helix	trans	-62	-45.9	178.5	-69.5	-177.3	148.7	0	0	111.8	V114 V116 H120 R121 C126	V114-E118 HydrophobicContact CG1-CG 4.23Å; V114-E118 PolarHBondContact O-N 2.82Å; V116-E118 PolarHBondContact O-N 2.96Å; E118-H120 PolarHBondContact O-N 3.03Å; E118-R121 PolarHBondContact O-N 2.84Å; E118-C126 PolarHBondContact N-SG 3.47Å; E118-C126 VanDerWaalsContact N-SG 3.37Å
119	R	98.6	Very high	98.5	Very high	135 Å²	135	53.2 Å²	53.2	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-35.5	177.2	175.4	168.5	48.4	129.5	0.8	112.6	E11 A115 V116	E11-R119 IonicContact OE1-CZ 2.82Å; E11-R119 IonicContact OE1-NH1 3.47Å; E11-R119 PolarHBondContact OE1-NH1 3.15Å; E11-R119 IonicContact OE1-NH2 2.84Å; E11-R119 IonicContact OE2-CZ 3.62Å; E11-R119 IonicContact OE2-NH1 3.69Å; E11-R119 PolarHBondContact OE2-NH1 3.39Å; E11-R119 IonicContact OE2-NH2 3.52Å; E11-R119 PolarHBondContact OE2-NH2 3.17Å; A115-R119 WeakPolarHBondContact O-CB 3.47Å; A115-R119 PolarHBondContact O-N 3.06Å; V116-R119 PolarHBondContact O-N 3.2Å
120	H	98.4	Very high	98.5	Very high	38 Å²	38	55.3 Å²	55.3	18%	0.176	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.6	177.6	-64.4	-62.9	0	0	0	114.1	H9 E11 V116 G117 E118 D122	H9-H120 HydrophobicContact CB-CB 3.95Å; H9-H120 AromaticContact CD2-CE1 3.61Å; H9-H120 AromaticContact CD2-ND1 3.49Å; H9-H120 PolarHBondContact CD2-ND1 3.37Å; H9-H120 AromaticContact CE1-CE1 3.17Å; H9-H120 PolarHBondContact CE1-CE1 3.11Å; H9-H120 AromaticContact CE1-ND1 3.86Å; H9-H120 AromaticContact CE1-NE2 3.54Å; H9-H120 AromaticContact CG-CD2 3.7Å; H9-H120 AromaticContact CG-CE1 3.4Å; H9-H120 VanDerWaalsContact CG-CE1 3.4Å; H9-H120 AromaticContact CG-CG 3.58Å; H9-H120 AromaticContact CG-ND1 3.39Å; H9-H120 AromaticContact CG-NE2 3.59Å; H9-H120 AromaticContact ND1-CD2 3.61Å; H9-H120 AromaticContact ND1-CE1 3.1Å; H9-H120 PolarHBondContact ND1-CE1 2.64Å; H9-H120 AromaticContact ND1-CG 3.91Å; H9-H120 AromaticContact ND1-ND1 3.62Å; H9-H120 AromaticContact ND1-NE2 3.07Å; H9-H120 PolarHBondContact ND1-NE2 3.02Å; H9-H120 AromaticContact NE2-CE1 3.47Å; H9-H120 PolarHBondContact NE2-CE1 3.03Å; H9-H120 AromaticContact NE2-ND1 3.79Å; E11-H120 IonicContact OE1-CE1 2.94Å; E11-H120 IonicContact OE1-NE2 3.61Å; V116-H120 PolarHBondContact O-CD2 2.72Å; V116-H120 PolarHBondContact O-N 3.15Å; G117-H120 CarbonylContact O-C 3.56Å; G117-H120 PolarHBondContact O-N 2.9Å; E118-H120 PolarHBondContact O-N 3.03Å; H120-D122 PolarHBondContact O-N 2.94Å
121	R	98.2	Very high	98.5	Very high	206 Å²	206	60.3 Å²	60.3	78%	0.777	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.7	-178	-57.2	179.8	-70.6	-111.8	-1.8	112.4	N7 G117 E118 T123	N7-R121 PolarHBondContact ND2-O 3.36Å; N7-R121 VanDerWaalsContact ND2-O 3.13Å; G117-R121 PolarHBondContact O-N 3.03Å; E118-R121 PolarHBondContact O-N 2.84Å; R121-T123 PolarHBondContact O-N 3.06Å
122	D	98.5	Very high	98.5	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	29%	0.294	C	S	.	.			trans	-90.4	83.2	173.6	-170.7	-13.4	0	0	0	109.1	N7 R72 G117 H120 H124 F125 C126	N7-D122 VanDerWaalsContact O-CG 3.3Å; R72-D122 IonicContact CZ-OD1 3.82Å; R72-D122 IonicContact CZ-OD2 3.65Å; R72-D122 VanDerWaalsContact CZ-OD2 3.3Å; R72-D122 IonicContact NH1-OD1 3.3Å; R72-D122 PolarHBondContact NH1-OD1 3.45Å; R72-D122 VanDerWaalsContact NH1-OD1 3.08Å; R72-D122 IonicContact NH1-OD2 3.79Å; R72-D122 PolarHBondContact NH1-OD2 3.25Å; R72-D122 IonicContact NH2-OD1 3.23Å; R72-D122 PolarHBondContact NH2-OD1 3.32Å; R72-D122 IonicContact NH2-OD2 2.77Å; R72-D122 PolarHBondContact NH2-OD2 2.94Å; G117-D122 PolarHBondContact O-N 3.44Å; H120-D122 PolarHBondContact O-N 2.94Å; D122-H124 PolarHBondContact O-N 3.3Å; D122-F125 HydrophobicContact CB-CB 3.76Å; D122-F125 WeakPolarHBondContact O-CB 3.16Å; D122-F125 PolarHBondContact O-N 3.49Å; D122-F125 VanDerWaalsContact O-N 3.13Å; D122-F125 WeakPolarHBondContact OD1-CB 3.45Å; D122-F125 PolarHBondContact OD1-N 2.88Å; D122-F125 VanDerWaalsContact OD1-N 3.14Å; D122-F125 WeakPolarHBondContact OD2-CB 3.41Å; D122-C126 PolarHBondContact O-N 2.77Å; D122-C126 VanDerWaalsContact O-N 3.09Å
123	T	97.8	Very high	98.5	Very high	103 Å²	103	56.3 Å²	56.3	63%	0.632	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-42.3	-173.1	54.7	0	0	0	0	112.5	R121 F125 C126 D127	R121-T123 PolarHBondContact O-N 3.06Å; T123-F125 VanDerWaalsContact C-N 3.25Å; T123-F125 PolarHBondContact O-N 3.22Å; T123-C126 PolarHBondContact O-N 2.84Å; T123-D127 WeakPolarHBondContact O-CB 3.45Å; T123-D127 VanDerWaalsContact O-CG 3.27Å; T123-D127 PolarHBondContact O-N 3.4Å
124	H	98	Very high	98.5	Very high	97 Å²	97	57.2 Å²	57.2	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-36.2	176.2	-178.6	-73.8	0	0	0	111.7	Y68 D122 F128	Y68-H124 AromaticContact CE2-CE1 3.85Å; Y68-H124 AromaticContact CE2-ND1 3.94Å; D122-H124 PolarHBondContact O-N 3.3Å; H124-F128 VanDerWaalsContact O-CB 3.29Å; H124-F128 WeakPolarHBondContact O-CB 3.36Å; H124-F128 PolarHBondContact O-N 3.45Å
125	F	98.6	Very high	98.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-47.5	175.1	-178.5	-82	0	0	0	112.5	Y8 C12 V16 Y68 L113 D122 T123 F128 I129	Y8-F125 HydrophobicContact CD2-CD2 4.39Å; Y8-F125 AromaticContact CE2-CD2 3.74Å; Y8-F125 HydrophobicContact CE2-CD2 3.74Å; Y8-F125 AromaticContact CE2-CE2 3.89Å; Y8-F125 HydrophobicContact CE2-CE2 3.89Å; C12-F125 HydrophobicContact CB-CD2 4.14Å; C12-F125 HydrophobicContact CB-CE2 3.84Å; C12-F125 HydrophobicContact CB-CZ 4.18Å; V16-F125 HydrophobicContact CG2-CE2 3.5Å; V16-F125 VanDerWaalsContact CG2-CE2 3.5Å; V16-F125 HydrophobicContact CG2-CZ 3.87Å; Y68-F125 AromaticContact CE1-CD2 3.74Å; Y68-F125 HydrophobicContact CE1-CD2 3.74Å; Y68-F125 HydrophobicContact CE1-CE2 4.03Å; Y68-F125 VanDerWaalsContact OH-CA 3.24Å; Y68-F125 WeakPolarHBondContact OH-CA 3.37Å; Y68-F125 WeakPolarHBondContact OH-CD2 3.31Å; L113-F125 HydrophobicContact CD1-CE1 4.2Å; L113-F125 HydrophobicContact CD1-CZ 3.65Å; L113-F125 HydrophobicContact CD2-CZ 4.16Å; L113-F125 HydrophobicContact CG-CE1 3.91Å; L113-F125 HydrophobicContact CG-CZ 3.65Å; L113-F125 WeakPolarHBondContact O-CE1 3.36Å; D122-F125 HydrophobicContact CB-CB 3.76Å; D122-F125 WeakPolarHBondContact O-CB 3.16Å; D122-F125 PolarHBondContact O-N 3.49Å; D122-F125 VanDerWaalsContact O-N 3.13Å; D122-F125 WeakPolarHBondContact OD1-CB 3.45Å; D122-F125 PolarHBondContact OD1-N 2.88Å; D122-F125 VanDerWaalsContact OD1-N 3.14Å; D122-F125 WeakPolarHBondContact OD2-CB 3.41Å; T123-F125 VanDerWaalsContact C-N 3.25Å; T123-F125 PolarHBondContact O-N 3.22Å; F125-F128 PolarHBondContact O-N 2.97Å; F125-I129 HydrophobicContact CD1-CG1 4.34Å; F125-I129 HydrophobicContact CE1-CG1 4Å; F125-I129 HydrophobicContact CZ-CG1 4.25Å; F125-I129 WeakPolarHBondContact O-CG1 3.42Å; F125-I129 PolarHBondContact O-N 2.99Å; F125-I129 VanDerWaalsContact O-N 3.1Å
126	C	98.7	Very high	98.2	Very high	12 Å²	12	62.7 Å²	62.7	8%	0.081	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-47.2	176.1	-61.5	0	0	0	0	111.2	V114 E118 D122 T123 F128 I129 N130	V114-C126 HydrophobicContact CG1-CB 4.44Å; E118-C126 PolarHBondContact N-SG 3.47Å; E118-C126 VanDerWaalsContact N-SG 3.37Å; D122-C126 PolarHBondContact O-N 2.77Å; D122-C126 VanDerWaalsContact O-N 3.09Å; T123-C126 PolarHBondContact O-N 2.84Å; C126-F128 VanDerWaalsContact C-N 3.31Å; C126-F128 PolarHBondContact O-N 3.23Å; C126-I129 PolarHBondContact O-N 3.36Å; C126-N130 VanDerWaalsContact O-CB 3.27Å; C126-N130 WeakPolarHBondContact O-CB 3.22Å; C126-N130 PolarHBondContact O-N 3.38Å; C126-N130 PolarHBondContact O-ND2 3.1Å; C126-N130 VanDerWaalsContact O-ND2 3.17Å
127	D	98.4	Very high	98.2	Very high	90 Å²	90	62 Å²	62	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-43	179	-70.2	-15.2	0	0	0	111.8	T123 N131	T123-D127 WeakPolarHBondContact O-CB 3.45Å; T123-D127 VanDerWaalsContact O-CG 3.27Å; T123-D127 PolarHBondContact O-N 3.4Å; D127-N131 VanDerWaalsContact O-CB 3.27Å; D127-N131 WeakPolarHBondContact O-CB 3.3Å; D127-N131 PolarHBondContact O-N 3.47Å; D127-N131 PolarHBondContact O-ND2 2.81Å
128	F	98.6	Very high	98.2	Very high	30 Å²	30	65.9 Å²	65.9	13%	0.132	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-52.7	176.6	172.2	-103.3	0	0	0	111.7	K64 L65 Y68 H124 F125 C126 N130 E132 Y133	K64-F128 HydrophobicContact CG-CZ 4.44Å; L65-F128 HydrophobicContact CD2-CE1 4.15Å; Y68-F128 AromaticContact CD1-CD1 3.89Å; Y68-F128 HydrophobicContact CD1-CD1 3.89Å; Y68-F128 AromaticContact CD1-CE1 3.63Å; Y68-F128 HydrophobicContact CD1-CE1 3.63Å; Y68-F128 HydrophobicContact CD1-CZ 4.28Å; Y68-F128 HydrophobicContact CD2-CB 4.49Å; Y68-F128 AromaticContact CD2-CD1 3.58Å; Y68-F128 HydrophobicContact CD2-CD1 3.58Å; Y68-F128 AromaticContact CD2-CD2 3.69Å; Y68-F128 HydrophobicContact CD2-CD2 3.69Å; Y68-F128 AromaticContact CD2-CE1 3.54Å; Y68-F128 HydrophobicContact CD2-CE1 3.54Å; Y68-F128 AromaticContact CD2-CE2 3.65Å; Y68-F128 HydrophobicContact CD2-CE2 3.65Å; Y68-F128 AromaticContact CD2-CG 3.64Å; Y68-F128 HydrophobicContact CD2-CG 3.64Å; Y68-F128 AromaticContact CD2-CZ 3.57Å; Y68-F128 HydrophobicContact CD2-CZ 3.57Å; Y68-F128 AromaticContact CE1-CD1 3.86Å; Y68-F128 HydrophobicContact CE1-CD1 3.86Å; Y68-F128 HydrophobicContact CE1-CE1 4.1Å; Y68-F128 HydrophobicContact CE2-CB 3.86Å; Y68-F128 AromaticContact CE2-CD1 3.57Å; Y68-F128 HydrophobicContact CE2-CD1 3.57Å; Y68-F128 AromaticContact CE2-CD2 3.89Å; Y68-F128 HydrophobicContact CE2-CD2 3.89Å; Y68-F128 HydrophobicContact CE2-CE1 4.04Å; Y68-F128 HydrophobicContact CE2-CE2 4.32Å; Y68-F128 AromaticContact CE2-CG 3.48Å; Y68-F128 HydrophobicContact CE2-CG 3.48Å; Y68-F128 VanDerWaalsContact CE2-CG 3.48Å; Y68-F128 HydrophobicContact CE2-CZ 4.38Å; Y68-F128 AromaticContact CG-CD1 3.75Å; Y68-F128 HydrophobicContact CG-CD1 3.75Å; Y68-F128 HydrophobicContact CG-CD2 4.45Å; Y68-F128 AromaticContact CG-CE1 3.33Å; Y68-F128 HydrophobicContact CG-CE1 3.33Å; Y68-F128 HydrophobicContact CG-CE2 4.1Å; Y68-F128 HydrophobicContact CG-CG 4.29Å; Y68-F128 AromaticContact CG-CZ 3.52Å; Y68-F128 HydrophobicContact CG-CZ 3.52Å; Y68-F128 AromaticContact CZ-CD1 3.71Å; Y68-F128 AromaticContact CZ-CG 3.98Å; H124-F128 VanDerWaalsContact O-CB 3.29Å; H124-F128 WeakPolarHBondContact O-CB 3.36Å; H124-F128 PolarHBondContact O-N 3.45Å; F125-F128 PolarHBondContact O-N 2.97Å; C126-F128 VanDerWaalsContact C-N 3.31Å; C126-F128 PolarHBondContact O-N 3.23Å; F128-N130 PolarHBondContact O-N 3.35Å; F128-E132 HydrophobicContact CD2-CB 4.32Å; F128-E132 HydrophobicContact CD2-CG 3.71Å; F128-E132 HydrophobicContact CE2-CB 4.24Å; F128-E132 HydrophobicContact CE2-CG 3.86Å; F128-E132 WeakPolarHBondContact O-CB 3.09Å; F128-E132 WeakPolarHBondContact O-CG 3.41Å; F128-E132 PolarHBondContact O-N 2.96Å; F128-Y133 HydrophobicContact CD1-CE2 4.38Å; F128-Y133 HydrophobicContact CE1-CD2 4.47Å; F128-Y133 AromaticContact CE1-CE2 3.61Å; F128-Y133 HydrophobicContact CE1-CE2 3.61Å; F128-Y133 HydrophobicContact CE2-CE2 4.36Å; F128-Y133 AromaticContact CZ-CE2 3.61Å; F128-Y133 HydrophobicContact CZ-CE2 3.61Å
129	I	98.8	Very high	98.1	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-41.4	-177.9	-58.8	-61.4	0	0	0	111.4	L65 L110 L113 V114 F125 C126 Y133 L134	L65-I129 HydrophobicContact CD2-CD1 4.13Å; L110-I129 HydrophobicContact CB-CG2 4.46Å; L110-I129 HydrophobicContact CD2-CG2 4.03Å; L113-I129 HydrophobicContact CD2-CD1 3.78Å; L113-I129 HydrophobicContact CD2-CG1 4.19Å; V114-I129 HydrophobicContact CG2-CB 3.85Å; V114-I129 HydrophobicContact CG2-CG2 3.51Å; F125-I129 HydrophobicContact CD1-CG1 4.34Å; F125-I129 HydrophobicContact CE1-CG1 4Å; F125-I129 HydrophobicContact CZ-CG1 4.25Å; F125-I129 WeakPolarHBondContact O-CG1 3.42Å; F125-I129 PolarHBondContact O-N 2.99Å; F125-I129 VanDerWaalsContact O-N 3.1Å; C126-I129 PolarHBondContact O-N 3.36Å; I129-Y133 HydrophobicContact CD1-CD2 4.3Å; I129-Y133 HydrophobicContact CD1-CE2 4.44Å; I129-Y133 WeakPolarHBondContact O-CB 3.46Å; I129-Y133 PolarHBondContact O-N 3.23Å; I129-Y133 VanDerWaalsContact O-N 3.16Å; I129-L134 PolarHBondContact O-N 3.5Å; I129-L134 VanDerWaalsContact O-N 3.11Å
130	N	98.4	Very high	98.1	Very high	57 Å²	57	59.3 Å²	59.3	31%	0.305	29%	0.293	S	S	.	.	I	π-helix	trans	-60.6	-51.8	178.8	-73.5	-26.2	0	0	0	111.9	V114 C126 F128 L134 E135	V114-N130 WeakPolarHBondContact CG2-OD1 3.48Å; C126-N130 VanDerWaalsContact O-CB 3.27Å; C126-N130 WeakPolarHBondContact O-CB 3.22Å; C126-N130 PolarHBondContact O-N 3.38Å; C126-N130 PolarHBondContact O-ND2 3.1Å; C126-N130 VanDerWaalsContact O-ND2 3.17Å; F128-N130 PolarHBondContact O-N 3.35Å; N130-L134 PolarHBondContact O-N 2.77Å; N130-L134 WeakPolarHBondContact OD1-CD1 3.46Å; N130-E135 PolarHBondContact O-N 3.15Å
131	N	98	Very high	98.1	Very high	107 Å²	107	59 Å²	59	57%	0.572	29%	0.292	S	S	*	.	I	π-helix	trans	-78.8	-36.9	-172.5	-64.4	-32.7	0	0	0	112.7	D127	D127-N131 VanDerWaalsContact O-CB 3.27Å; D127-N131 WeakPolarHBondContact O-CB 3.3Å; D127-N131 PolarHBondContact O-N 3.47Å; D127-N131 PolarHBondContact O-ND2 2.81Å
132	E	98.1	Very high	98.1	Very high	79 Å²	79	54.7 Å²	54.7	37%	0.369	28%	0.279	S	S	.	.	I	π-helix	trans	-93.2	-14.9	-171	-61.2	-64	154.3	0	0	114	K64 F128 I136	K64-E132 WeakPolarHBondContact CE-OE2 3.27Å; K64-E132 PolarHBondContact NZ-O 2.96Å; K64-E132 IonicContact NZ-OE2 3.08Å; K64-E132 PolarHBondContact NZ-OE2 3.02Å; F128-E132 HydrophobicContact CD2-CB 4.32Å; F128-E132 HydrophobicContact CD2-CG 3.71Å; F128-E132 HydrophobicContact CE2-CB 4.24Å; F128-E132 HydrophobicContact CE2-CG 3.86Å; F128-E132 WeakPolarHBondContact O-CB 3.09Å; F128-E132 WeakPolarHBondContact O-CG 3.41Å; F128-E132 PolarHBondContact O-N 2.96Å; E132-I136 WeakPolarHBondContact O-CD1 3.38Å
133	Y	98.6	Very high	98.1	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.027	29%	0.294	C	S	.	.	I	π-helix	trans	-131.5	-59.6	-176.6	-60.9	-101.8	0	0	0	112.3	H61 K64 L65 L110 F128 I129 E135 I136 Q137	H61-Y133 HydrophobicContact CB-CE1 4.02Å; H61-Y133 PolarHBondContact O-OH 3.15Å; K64-Y133 VanDerWaalsContact CB-OH 3.31Å; K64-Y133 WeakPolarHBondContact CB-OH 3.13Å; K64-Y133 HydrophobicContact CD-CE2 4.42Å; K64-Y133 WeakPolarHBondContact CD-OH 3.43Å; K64-Y133 VanDerWaalsContact CG-OH 3.29Å; K64-Y133 WeakPolarHBondContact CG-OH 3.49Å; L65-Y133 HydrophobicContact CD1-CE1 4.25Å; L65-Y133 HydrophobicContact CD2-CE1 3.99Å; L65-Y133 HydrophobicContact CD2-CE2 3.98Å; L65-Y133 WeakPolarHBondContact CD2-OH 3.08Å; L65-Y133 HydrophobicContact CG-CE1 3.85Å; L65-Y133 VanDerWaalsContact CG-OH 3.27Å; L65-Y133 WeakPolarHBondContact CG-OH 3.25Å; L65-Y133 PolarHBondContact N-OH 3.16Å; L110-Y133 HydrophobicContact CD2-CD1 4.19Å; L110-Y133 HydrophobicContact CD2-CG 4.11Å; F128-Y133 HydrophobicContact CD1-CE2 4.38Å; F128-Y133 HydrophobicContact CE1-CD2 4.47Å; F128-Y133 AromaticContact CE1-CE2 3.61Å; F128-Y133 HydrophobicContact CE1-CE2 3.61Å; F128-Y133 HydrophobicContact CE2-CE2 4.36Å; F128-Y133 AromaticContact CZ-CE2 3.61Å; F128-Y133 HydrophobicContact CZ-CE2 3.61Å; I129-Y133 HydrophobicContact CD1-CD2 4.3Å; I129-Y133 HydrophobicContact CD1-CE2 4.44Å; I129-Y133 WeakPolarHBondContact O-CB 3.46Å; I129-Y133 PolarHBondContact O-N 3.23Å; I129-Y133 VanDerWaalsContact O-N 3.16Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.31Å; Y133-I136 PolarHBondContact O-N 3.48Å; Y133-I136 VanDerWaalsContact O-N 3.09Å; Y133-Q137 VanDerWaalsContact O-CB 3.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.49Å; Y133-Q137 PolarHBondContact O-N 3.46Å
134	L	98.5	Very high	98.2	Very high	26 Å²	26	53.2 Å²	53.2	14%	0.136	26%	0.264	C	S	.	.	I	π-helix	trans	-62.3	-37.7	-172.3	-73	176.4	0	0	0	113.4	N107 L110 M111 V114 I129 N130 Q137 V138	N107-L134 VanDerWaalsContact OD1-CD2 3.3Å; N107-L134 WeakPolarHBondContact OD1-CD2 3.36Å; L110-L134 HydrophobicContact CB-CD2 3.59Å; L110-L134 HydrophobicContact CB-CG 4.23Å; L110-L134 HydrophobicContact CD1-CD2 4.28Å; M111-L134 HydrophobicContact CG-CD1 4.4Å; M111-L134 HydrophobicContact CG-CD2 3.94Å; V114-L134 HydrophobicContact CG2-CD1 3.82Å; I129-L134 PolarHBondContact O-N 3.5Å; I129-L134 VanDerWaalsContact O-N 3.11Å; N130-L134 PolarHBondContact O-N 2.77Å; N130-L134 WeakPolarHBondContact OD1-CD1 3.46Å; L134-Q137 PolarHBondContact O-N 3.02Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.16Å; L134-V138 VanDerWaalsContact O-N 3.16Å
135	E	97	Very high	98.2	Very high	112 Å²	112	50.7 Å²	50.7	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-47.1	173.8	-180	58.2	-146.8	0	0	111.6	N130 Y133 Q139	N130-E135 PolarHBondContact O-N 3.15Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.31Å; E135-Q139 WeakPolarHBondContact O-CG 3.17Å; E135-Q139 PolarHBondContact O-N 3.34Å; E135-Q139 PolarHBondContact OE1-NE2 3.09Å
136	I	95.6	Very high	98.2	Very high	62 Å²	62	54 Å²	54	32%	0.318	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-42.5	179.4	-60.2	179.4	0	0	0	110.2	E132 Y133 V138 Q139 S140	E132-I136 WeakPolarHBondContact O-CD1 3.38Å; Y133-I136 PolarHBondContact O-N 3.48Å; Y133-I136 VanDerWaalsContact O-N 3.09Å; I136-V138 VanDerWaalsContact C-N 3.31Å; I136-V138 PolarHBondContact O-N 2.89Å; I136-Q139 CarbonylContact O-C 3.49Å; I136-Q139 WeakPolarHBondContact O-CA 3.4Å; I136-Q139 WeakPolarHBondContact O-CB 3.47Å; I136-Q139 PolarHBondContact O-N 3.36Å; I136-S140 PolarHBondContact O-N 3.34Å; I136-S140 PolarHBondContact O-OG 2.96Å
137	Q	97.8	Very high	98.2	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-40.4	-178.2	-170	64.6	73.7	0	0	112.7	E103 V106 N107 L110 Y133 L134 Q139 S140 M141	E103-Q137 PolarHBondContact O-NE2 3.47Å; E103-Q137 PolarHBondContact OE2-NE2 3.37Å; V106-Q137 VanDerWaalsContact CG1-OE1 3.26Å; N107-Q137 HydrophobicContact CB-CG 3.38Å; N107-Q137 WeakPolarHBondContact OD1-CG 3.32Å; L110-Q137 HydrophobicContact CD1-CG 4.45Å; Y133-Q137 VanDerWaalsContact O-CB 3.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.49Å; Y133-Q137 PolarHBondContact O-N 3.46Å; L134-Q137 PolarHBondContact O-N 3.02Å; Q137-Q139 VanDerWaalsContact C-N 3.33Å; Q137-S140 PolarHBondContact O-N 3.36Å; Q137-M141 HydrophobicContact CG-CE 4.31Å; Q137-M141 WeakPolarHBondContact O-CG 3.38Å; Q137-M141 PolarHBondContact O-N 3.42Å
138	V	98.2	Very high	98.2	Very high	83 Å²	83	51.9 Å²	51.9	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-39.1	174.9	172.4	0	0	0	0	111.1	L134 I136 M141 K142	L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.16Å; L134-V138 VanDerWaalsContact O-N 3.16Å; I136-V138 VanDerWaalsContact C-N 3.31Å; I136-V138 PolarHBondContact O-N 2.89Å; V138-M141 HydrophobicContact CG2-CE 4.25Å; V138-K142 WeakPolarHBondContact O-CB 3.47Å; V138-K142 PolarHBondContact O-N 2.73Å
139	Q	98	Very high	98.3	Very high	108 Å²	108	53.1 Å²	53.1	51%	0.505	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-43.8	176.8	-61.8	174.5	24.7	0	0	111.5	E135 I136 Q137 K142 K143	E135-Q139 WeakPolarHBondContact O-CG 3.17Å; E135-Q139 PolarHBondContact O-N 3.34Å; E135-Q139 PolarHBondContact OE1-NE2 3.09Å; I136-Q139 CarbonylContact O-C 3.49Å; I136-Q139 WeakPolarHBondContact O-CA 3.4Å; I136-Q139 WeakPolarHBondContact O-CB 3.47Å; I136-Q139 PolarHBondContact O-N 3.36Å; Q137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-K142 WeakPolarHBondContact O-CB 3.4Å; Q139-K142 PolarHBondContact O-N 3.35Å; Q139-K143 PolarHBondContact O-N 2.98Å
140	S	97.8	Very high	98.2	Very high	16 Å²	16	56 Å²	56	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-46.6	176.1	-60.8	0	0	0	0	112	I136 Q137 K142 K143 L144	I136-S140 PolarHBondContact O-N 3.34Å; I136-S140 PolarHBondContact O-OG 2.96Å; Q137-S140 PolarHBondContact O-N 3.36Å; S140-K142 VanDerWaalsContact C-N 3.3Å; S140-K142 PolarHBondContact O-N 3.2Å; S140-K143 WeakPolarHBondContact O-CB 3.24Å; S140-K143 PolarHBondContact O-N 2.68Å; S140-L144 WeakPolarHBondContact O-CG 3.46Å; S140-L144 PolarHBondContact O-N 2.74Å
141	M	98.5	Very high	98.3	Very high	31 Å²	31	53.4 Å²	53.4	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-38	176	-73	-172.6	-66.3	0	0	112.5	L100 E103 K104 N107 Q137 V138 S145	L100-M141 HydrophobicContact CD1-CB 3.96Å; L100-M141 HydrophobicContact CD1-CG 4.08Å; E103-M141 HydrophobicContact CB-CG 3.85Å; K104-M141 HydrophobicContact CG-SD 3.76Å; N107-M141 HydrophobicContact CB-CE 4.15Å; N107-M141 HydrophobicContact CB-SD 4.27Å; Q137-M141 HydrophobicContact CG-CE 4.31Å; Q137-M141 WeakPolarHBondContact O-CG 3.38Å; Q137-M141 PolarHBondContact O-N 3.42Å; V138-M141 HydrophobicContact CG2-CE 4.25Å; M141-S145 WeakPolarHBondContact O-CB 3.39Å; M141-S145 PolarHBondContact O-N 3.29Å; M141-S145 PolarHBondContact O-OG 3.35Å
142	K	98.8	Very high	98.3	Very high	115 Å²	115	53.4 Å²	53.4	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-46.5	175.5	177.9	61.4	172	73.7	0	111.5	V138 Q139 S140 S145 D146	V138-K142 WeakPolarHBondContact O-CB 3.47Å; V138-K142 PolarHBondContact O-N 2.73Å; Q139-K142 WeakPolarHBondContact O-CB 3.4Å; Q139-K142 PolarHBondContact O-N 3.35Å; S140-K142 VanDerWaalsContact C-N 3.3Å; S140-K142 PolarHBondContact O-N 3.2Å; K142-S145 PolarHBondContact O-N 3.18Å; K142-D146 IonicContact NZ-OD1 3.83Å; K142-D146 PolarHBondContact NZ-OD1 3.27Å; K142-D146 IonicContact NZ-OD2 2.68Å; K142-D146 PolarHBondContact NZ-OD2 3.43Å; K142-D146 PolarHBondContact O-N 3.22Å
143	K	98.6	Very high	98.3	Very high	76 Å²	76	58.3 Å²	58.3	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-49.8	177	179.2	-172.4	176.8	-163.5	0	111.2	E54 Q139 S140 S145 D146 Y147	E54-K143 IonicContact OE1-NZ 3.75Å; E54-K143 PolarHBondContact OE1-NZ 2.95Å; Q139-K143 PolarHBondContact O-N 2.98Å; S140-K143 WeakPolarHBondContact O-CB 3.24Å; S140-K143 PolarHBondContact O-N 2.68Å; K143-S145 VanDerWaalsContact C-N 3.34Å; K143-S145 PolarHBondContact O-N 3.39Å; K143-D146 PolarHBondContact O-N 3.05Å; K143-Y147 HydrophobicContact CD-CE2 4.43Å; K143-Y147 WeakPolarHBondContact CE-OH 3.4Å; K143-Y147 HydrophobicContact CG-CD2 4.46Å; K143-Y147 HydrophobicContact CG-CE2 3.88Å; K143-Y147 PolarHBondContact O-N 3.25Å
144	L	98.8	Very high	98.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-41.9	176.6	-70.7	171.3	0	0	0	112.1	F50 M96 A99 L100 E103 S140 D146 Y147 I148	F50-L144 HydrophobicContact CE1-CD2 4.17Å; F50-L144 HydrophobicContact CZ-CD2 3.87Å; M96-L144 HydrophobicContact SD-CD2 3.72Å; A99-L144 HydrophobicContact CB-CD1 4.2Å; A99-L144 HydrophobicContact CB-CD2 4.05Å; L100-L144 HydrophobicContact CB-CB 4.25Å; L100-L144 HydrophobicContact CB-CD1 4.43Å; L100-L144 HydrophobicContact CD1-CB 4.23Å; E103-L144 HydrophobicContact CB-CD1 4.26Å; E103-L144 HydrophobicContact CG-CD1 3.42Å; E103-L144 VanDerWaalsContact CG-CD1 3.42Å; S140-L144 WeakPolarHBondContact O-CG 3.46Å; S140-L144 PolarHBondContact O-N 2.74Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.23Å; L144-Y147 PolarHBondContact O-N 2.99Å; L144-I148 VanDerWaalsContact O-CG1 3.29Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3.3Å
145	S	98.8	Very high	98.2	Very high	43 Å²	43	61.3 Å²	61.3	30%	0.301	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-37.9	177.4	-60.6	0	0	0	0	112.6	M141 K142 K143 T149	M141-S145 WeakPolarHBondContact O-CB 3.39Å; M141-S145 PolarHBondContact O-N 3.29Å; M141-S145 PolarHBondContact O-OG 3.35Å; K142-S145 PolarHBondContact O-N 3.18Å; K143-S145 VanDerWaalsContact C-N 3.34Å; K143-S145 PolarHBondContact O-N 3.39Å; S145-T149 WeakPolarHBondContact O-CB 3.47Å; S145-T149 PolarHBondContact O-N 2.92Å; S145-T149 PolarHBondContact O-OG1 3.2Å
146	D	98.8	Very high	98.2	Very high	69 Å²	69	61.2 Å²	61.2	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-42.5	174.8	-69.4	-20.4	0	0	0	111.3	K142 K143 L144 T149 N150	K142-D146 IonicContact NZ-OD1 3.83Å; K142-D146 PolarHBondContact NZ-OD1 3.27Å; K142-D146 IonicContact NZ-OD2 2.68Å; K142-D146 PolarHBondContact NZ-OD2 3.43Å; K142-D146 PolarHBondContact O-N 3.22Å; K143-D146 PolarHBondContact O-N 3.05Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.23Å; D146-T149 PolarHBondContact O-N 2.99Å; D146-N150 PolarHBondContact O-N 3.41Å
147	Y	98.8	Very high	98.2	Very high	39 Å²	39	60.5 Å²	60.5	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-47.7	175	-68.4	-14.5	0	0	0	112.3	F50 M96 K143 L144 T149 N150 L151 F163 T167 L168	F50-Y147 HydrophobicContact CD2-CE2 4.28Å; F50-Y147 HydrophobicContact CE2-CD2 4.47Å; F50-Y147 AromaticContact CE2-CE2 3.72Å; F50-Y147 HydrophobicContact CE2-CE2 3.72Å; F50-Y147 HydrophobicContact CZ-CD2 4.33Å; F50-Y147 HydrophobicContact CZ-CE2 4.01Å; M96-Y147 HydrophobicContact CE-CD2 3.89Å; M96-Y147 HydrophobicContact SD-CD2 3.96Å; K143-Y147 HydrophobicContact CD-CE2 4.43Å; K143-Y147 WeakPolarHBondContact CE-OH 3.4Å; K143-Y147 HydrophobicContact CG-CD2 4.46Å; K143-Y147 HydrophobicContact CG-CE2 3.88Å; K143-Y147 PolarHBondContact O-N 3.25Å; L144-Y147 PolarHBondContact O-N 2.99Å; Y147-T149 VanDerWaalsContact C-N 3.29Å; Y147-T149 PolarHBondContact O-N 2.74Å; Y147-N150 PolarHBondContact O-N 2.89Å; Y147-L151 WeakPolarHBondContact O-CB 3.48Å; Y147-L151 WeakPolarHBondContact O-CG 3.17Å; Y147-L151 PolarHBondContact O-N 3.15Å; Y147-F163 HydrophobicContact CD1-CE2 4.17Å; Y147-F163 AromaticContact CD1-CZ 3.69Å; Y147-F163 HydrophobicContact CD1-CZ 3.69Å; Y147-F163 HydrophobicContact CD2-CZ 4.45Å; Y147-F163 HydrophobicContact CE1-CZ 4.36Å; Y147-F163 AromaticContact CG-CZ 3.74Å; Y147-F163 HydrophobicContact CG-CZ 3.74Å; Y147-T167 HydrophobicContact CD1-CG2 4.15Å; Y147-T167 HydrophobicContact CE1-CG2 3.68Å; Y147-L168 HydrophobicContact CD2-CD2 4.47Å; Y147-L168 HydrophobicContact CE2-CD2 3.89Å
148	I	98.8	Very high	98.2	Very high	19 Å²	19	66.5 Å²	66.5	10%	0.097	35%	0.354	C	S	.	.	H	α-helix	trans	-55	-47.6	174.8	-68.7	167.1	0	0	0	110.2	L93 M96 Q97 L100 L144 N150 L151 I152	L93-I148 HydrophobicContact CD1-CB 4.37Å; L93-I148 HydrophobicContact CD1-CG2 3.79Å; M96-I148 HydrophobicContact CB-CG1 3.73Å; Q97-I148 HydrophobicContact CG-CD1 4.04Å; Q97-I148 HydrophobicContact CG-CG1 4.22Å; Q97-I148 HydrophobicContact CG-CG2 4.23Å; L100-I148 HydrophobicContact CB-CD1 3.85Å; L100-I148 HydrophobicContact CD2-CD1 3.53Å; L100-I148 HydrophobicContact CG-CD1 4.33Å; L144-I148 VanDerWaalsContact O-CG1 3.29Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3.3Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 2.66Å; I148-L151 PolarHBondContact O-N 3.18Å; I148-I152 HydrophobicContact CG2-CD1 3.94Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.47Å
149	T	98.8	Very high	98.2	Very high	57 Å²	57	63.2 Å²	63.2	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-41.5	-179.2	-53.6	0	0	0	0	111.4	S145 D146 Y147 I152 R153	S145-T149 WeakPolarHBondContact O-CB 3.47Å; S145-T149 PolarHBondContact O-N 2.92Å; S145-T149 PolarHBondContact O-OG1 3.2Å; D146-T149 PolarHBondContact O-N 2.99Å; Y147-T149 VanDerWaalsContact C-N 3.29Å; Y147-T149 PolarHBondContact O-N 2.74Å; T149-I152 PolarHBondContact O-N 3.38Å; T149-R153 VanDerWaalsContact CG2-CZ 3.47Å; T149-R153 VanDerWaalsContact CG2-NH1 3.35Å; T149-R153 WeakPolarHBondContact O-CG 3.29Å; T149-R153 PolarHBondContact O-N 3.4Å; T149-R153 VanDerWaalsContact O-N 3.16Å
150	N	98.7	Very high	98.2	Very high	59 Å²	59	59.2 Å²	59.2	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-69.3	-38.7	177.6	-73.9	-16.1	0	0	0	112.3	D146 Y147 I148 I152 R153 V154 F163	D146-N150 PolarHBondContact O-N 3.41Å; Y147-N150 PolarHBondContact O-N 2.89Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 2.66Å; N150-I152 VanDerWaalsContact C-N 3.34Å; N150-I152 PolarHBondContact O-N 2.89Å; N150-R153 WeakPolarHBondContact O-CB 3.37Å; N150-R153 PolarHBondContact O-N 3.23Å; N150-R153 PolarHBondContact OD1-NH1 3.34Å; N150-V154 WeakPolarHBondContact O-CG2 3.26Å; N150-V154 PolarHBondContact O-N 2.87Å; N150-F163 HydrophobicContact CB-CD2 4.27Å; N150-F163 HydrophobicContact CB-CE2 3.95Å
151	L	98.7	Very high	98.2	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-39.3	175.1	-77.1	163.3	0	0	0	112.3	F47 L93 M96 Y147 I148 R153 G155 F163	F47-L151 HydrophobicContact CE1-CD1 4.27Å; F47-L151 HydrophobicContact CZ-CD1 4.02Å; F47-L151 HydrophobicContact CZ-CD2 3.96Å; L93-L151 HydrophobicContact CB-CB 4.13Å; L93-L151 HydrophobicContact CD1-CB 3.98Å; M96-L151 HydrophobicContact CB-CD1 4.22Å; M96-L151 HydrophobicContact CG-CD1 3.69Å; Y147-L151 WeakPolarHBondContact O-CB 3.48Å; Y147-L151 WeakPolarHBondContact O-CG 3.17Å; Y147-L151 PolarHBondContact O-N 3.15Å; I148-L151 PolarHBondContact O-N 3.18Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.28Å; L151-G155 PolarHBondContact O-N 3.04Å; L151-F163 HydrophobicContact CD1-CD1 4.44Å; L151-F163 HydrophobicContact CD1-CE1 4.08Å; L151-F163 HydrophobicContact CD1-CZ 4.29Å; L151-F163 HydrophobicContact CD2-CB 4.06Å; L151-F163 HydrophobicContact CD2-CD1 3.69Å; L151-F163 HydrophobicContact CD2-CD2 4.24Å; L151-F163 HydrophobicContact CD2-CE1 4.17Å; L151-F163 HydrophobicContact CD2-CG 3.73Å; L151-F163 HydrophobicContact CG-CD1 4.11Å; L151-F163 HydrophobicContact CG-CD2 4.23Å; L151-F163 HydrophobicContact CG-CE1 4.11Å; L151-F163 HydrophobicContact CG-CE2 4.24Å; L151-F163 HydrophobicContact CG-CG 4.17Å; L151-F163 HydrophobicContact CG-CZ 4.19Å
152	I	98.6	Very high	98.1	Very high	107 Å²	107	64.9 Å²	64.9	55%	0.549	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-40.2	171.1	-69	166.1	0	0	0	111	L93 I148 T149 N150	L93-I152 HydrophobicContact CD1-CD1 4.42Å; L93-I152 HydrophobicContact CD1-CG1 3.82Å; L93-I152 HydrophobicContact CD2-CG1 3.86Å; I148-I152 HydrophobicContact CG2-CD1 3.94Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.47Å; T149-I152 PolarHBondContact O-N 3.38Å; N150-I152 VanDerWaalsContact C-N 3.34Å; N150-I152 PolarHBondContact O-N 2.89Å
153	R	98.4	Very high	98.1	Very high	181 Å²	181	59.8 Å²	59.8	68%	0.683	32%	0.321	S	S	*	.	H	α-helix	trans	-69	-43.2	-179.1	-73.6	176	-178.7	123.6	3.4	113.2	T149 N150 L151	T149-R153 VanDerWaalsContact CG2-CZ 3.47Å; T149-R153 VanDerWaalsContact CG2-NH1 3.35Å; T149-R153 WeakPolarHBondContact O-CG 3.29Å; T149-R153 PolarHBondContact O-N 3.4Å; T149-R153 VanDerWaalsContact O-N 3.16Å; N150-R153 WeakPolarHBondContact O-CB 3.37Å; N150-R153 PolarHBondContact O-N 3.23Å; N150-R153 PolarHBondContact OD1-NH1 3.34Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.28Å
154	V	98.1	Very high	98.1	Very high	69 Å²	69	56.1 Å²	56.1	42%	0.418	31%	0.305	S	S	.	.	H	α-helix	trans	-81.4	-27.7	-176.2	-58.5	0	0	0	0	112.5	N150 G159 F163	N150-V154 WeakPolarHBondContact O-CG2 3.26Å; N150-V154 PolarHBondContact O-N 2.87Å; V154-G159 VanDerWaalsContact CG2-C 3.46Å; V154-G159 WeakPolarHBondContact CG2-O 3.33Å; V154-F163 HydrophobicContact CG2-CB 4.39Å
155	G	97.6	Very high	98	Very high	27 Å²	27	58 Å²	58	28%	0.278	31%	0.313	S	S	.	.			trans	70.9	178.9	-176.6	0	0	0	0	0	113.7	L151 G159 E160	L151-G155 PolarHBondContact O-N 3.04Å; G155-G159 CarbonylContact O-C 3.45Å; G155-G159 WeakPolarHBondContact O-CA 3.31Å; G155-E160 PolarHBondContact O-N 2.87Å
156	N	95.7	Very high	97.9	Very high	111 Å²	111	62.3 Å²	62.3	59%	0.594	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	170.3	-176.1	-62	-6.2	0	0	0	112.6	L158	N156-L158 PolarHBondContact O-N 2.64Å
157	G	95.7	Very high	97.8	Very high	47 Å²	47	61.3 Å²	61.3	49%	0.485	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-120.3	176.6	0	0	0	0	0	111.3	G159 E160 Y161	G157-G159 PolarHBondContact O-N 2.68Å; G157-E160 PolarHBondContact O-N 3.49Å; G157-Y161 VanDerWaalsContact O-CB 3.29Å; G157-Y161 WeakPolarHBondContact O-CB 3.23Å; G157-Y161 PolarHBondContact O-N 2.88Å
158	L	97.4	Very high	97.8	Very high	135 Å²	135	60.2 Å²	60.2	71%	0.707	32%	0.321	S	S	*	.	H	α-helix	trans	-60.2	-34.2	-178.9	-177.7	61.3	0	0	0	112.5	N156 Y161 T162	N156-L158 PolarHBondContact O-N 2.64Å; L158-Y161 HydrophobicContact CD1-CD1 4.41Å; L158-T162 WeakPolarHBondContact O-CB 3.5Å; L158-T162 PolarHBondContact O-N 3.31Å; L158-T162 PolarHBondContact O-OG1 3.44Å
159	G	98.1	Very high	97.6	Very high	14 Å²	14	65.1 Å²	65.1	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-53.1	179.1	0	0	0	0	0	112.4	V154 G155 G157 Y161 T162 F163	V154-G159 VanDerWaalsContact CG2-C 3.46Å; V154-G159 WeakPolarHBondContact CG2-O 3.33Å; G155-G159 CarbonylContact O-C 3.45Å; G155-G159 WeakPolarHBondContact O-CA 3.31Å; G157-G159 PolarHBondContact O-N 2.68Å; G159-Y161 PolarHBondContact O-N 2.94Å; G159-T162 PolarHBondContact O-N 2.8Å; G159-F163 PolarHBondContact O-N 3.17Å
160	E	98.1	Very high	96.7	Very high	23 Å²	23	62.5 Å²	62.5	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-44.1	174.1	176.7	174.4	-106.6	0	0	112.3	L44 F47 S91 G92 G155 G157 T162 F163 D164	L44-E160 HydrophobicContact CD1-CG 3.99Å; F47-E160 HydrophobicContact CE2-CG 4.29Å; S91-E160 VanDerWaalsContact CA-OE1 3.31Å; S91-E160 WeakPolarHBondContact CA-OE1 3.34Å; S91-E160 VanDerWaalsContact CB-OE1 3.26Å; S91-E160 WeakPolarHBondContact CB-OE1 3.08Å; G92-E160 PolarHBondContact N-OE1 3.21Å; G155-E160 PolarHBondContact O-N 2.87Å; G157-E160 PolarHBondContact O-N 3.49Å; E160-T162 VanDerWaalsContact C-N 3.33Å; E160-T162 PolarHBondContact O-N 3.03Å; E160-F163 WeakPolarHBondContact O-CB 3.41Å; E160-F163 PolarHBondContact O-N 2.86Å; E160-D164 PolarHBondContact O-N 2.91Å
161	Y	97.6	Very high	95.8	Very high	103 Å²	103	65.9 Å²	65.9	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-44.2	173.6	-179.6	-94.7	0	0	0	111.6	G157 L158 G159 F163 D164 K165	G157-Y161 VanDerWaalsContact O-CB 3.29Å; G157-Y161 WeakPolarHBondContact O-CB 3.23Å; G157-Y161 PolarHBondContact O-N 2.88Å; L158-Y161 HydrophobicContact CD1-CD1 4.41Å; G159-Y161 PolarHBondContact O-N 2.94Å; Y161-F163 PolarHBondContact O-N 3.49Å; Y161-D164 WeakPolarHBondContact O-CB 3.47Å; Y161-D164 PolarHBondContact O-N 3.42Å; Y161-K165 HydrophobicContact CD1-CG 4.3Å; Y161-K165 HydrophobicContact CE1-CG 3.99Å; Y161-K165 HydrophobicContact CE2-CG 4.47Å; Y161-K165 WeakPolarHBondContact O-CG 3.4Å; Y161-K165 PolarHBondContact O-N 2.91Å; Y161-K165 WeakPolarHBondContact OH-CE 3.31Å
162	T	97.9	Very high	94.1	Very high	63 Å²	63	68.7 Å²	68.7	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-65.1	-39.8	176.8	-55.3	0	0	0	0	111.2	L158 G159 E160 K165 E166	L158-T162 WeakPolarHBondContact O-CB 3.5Å; L158-T162 PolarHBondContact O-N 3.31Å; L158-T162 PolarHBondContact O-OG1 3.44Å; G159-T162 PolarHBondContact O-N 2.8Å; E160-T162 VanDerWaalsContact C-N 3.33Å; E160-T162 PolarHBondContact O-N 3.03Å; T162-K165 PolarHBondContact O-N 2.95Å; T162-E166 HydrophobicContact CG2-CG 3.88Å; T162-E166 WeakPolarHBondContact O-CB 3.34Å; T162-E166 WeakPolarHBondContact O-CG 3.47Å; T162-E166 PolarHBondContact O-N 3.49Å
163	F	98.4	Very high	91.8	Very high	8 Å²	8	76.2 Å²	76.2	4%	0.035	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-46.2	175.9	180	-87	0	0	0	111.8	F47 Y147 N150 L151 V154 G159 E160 Y161 K165 T167 L168	F47-F163 HydrophobicContact CE1-CE1 4.28Å; F47-F163 AromaticContact CE2-CD1 3.9Å; F47-F163 HydrophobicContact CE2-CD1 3.9Å; F47-F163 HydrophobicContact CE2-CE1 4.38Å; F47-F163 AromaticContact CZ-CD1 3.65Å; F47-F163 HydrophobicContact CZ-CD1 3.65Å; F47-F163 AromaticContact CZ-CE1 3.79Å; F47-F163 HydrophobicContact CZ-CE1 3.79Å; Y147-F163 HydrophobicContact CD1-CE2 4.17Å; Y147-F163 AromaticContact CD1-CZ 3.69Å; Y147-F163 HydrophobicContact CD1-CZ 3.69Å; Y147-F163 HydrophobicContact CD2-CZ 4.45Å; Y147-F163 HydrophobicContact CE1-CZ 4.36Å; Y147-F163 AromaticContact CG-CZ 3.74Å; Y147-F163 HydrophobicContact CG-CZ 3.74Å; N150-F163 HydrophobicContact CB-CD2 4.27Å; N150-F163 HydrophobicContact CB-CE2 3.95Å; L151-F163 HydrophobicContact CD1-CD1 4.44Å; L151-F163 HydrophobicContact CD1-CE1 4.08Å; L151-F163 HydrophobicContact CD1-CZ 4.29Å; L151-F163 HydrophobicContact CD2-CB 4.06Å; L151-F163 HydrophobicContact CD2-CD1 3.69Å; L151-F163 HydrophobicContact CD2-CD2 4.24Å; L151-F163 HydrophobicContact CD2-CE1 4.17Å; L151-F163 HydrophobicContact CD2-CG 3.73Å; L151-F163 HydrophobicContact CG-CD1 4.11Å; L151-F163 HydrophobicContact CG-CD2 4.23Å; L151-F163 HydrophobicContact CG-CE1 4.11Å; L151-F163 HydrophobicContact CG-CE2 4.24Å; L151-F163 HydrophobicContact CG-CG 4.17Å; L151-F163 HydrophobicContact CG-CZ 4.19Å; V154-F163 HydrophobicContact CG2-CB 4.39Å; G159-F163 PolarHBondContact O-N 3.17Å; E160-F163 WeakPolarHBondContact O-CB 3.41Å; E160-F163 PolarHBondContact O-N 2.86Å; Y161-F163 PolarHBondContact O-N 3.49Å; F163-K165 PolarHBondContact O-N 3.47Å; F163-T167 HydrophobicContact CD2-CG2 4.24Å; F163-T167 HydrophobicContact CE2-CG2 3.65Å; F163-T167 HydrophobicContact CZ-CG2 3.8Å; F163-T167 WeakPolarHBondContact O-CA 3.46Å; F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.29Å; F163-T167 PolarHBondContact O-N 3.3Å; F163-L168 HydrophobicContact CD1-CD1 4.23Å; F163-L168 HydrophobicContact CD1-CG 4.17Å; F163-L168 HydrophobicContact CE1-CD1 3.77Å; F163-L168 HydrophobicContact CE1-CD2 4.11Å; F163-L168 HydrophobicContact CE1-CG 3.67Å; F163-L168 HydrophobicContact CZ-CD2 4.48Å; F163-L168 HydrophobicContact CZ-CG 4.44Å; F163-L168 PolarHBondContact O-N 2.83Å
164	D	98.4	Very high	91.5	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-54.6	-42.2	176	-179	76.5	0	0	0	111.9	L44 N45 G46 F47 E160 Y161 L168 H169 G170	L44-D164 VanDerWaalsContact C-OD1 3.28Å; L44-D164 HydrophobicContact CD2-CB 3.95Å; N45-D164 PolarHBondContact N-OD2 2.61Å; G46-D164 WeakPolarHBondContact CA-OD1 3.41Å; G46-D164 VanDerWaalsContact N-CG 3.32Å; G46-D164 PolarHBondContact N-OD1 2.96Å; G46-D164 PolarHBondContact N-OD2 3.38Å; F47-D164 HydrophobicContact CD2-CB 3.99Å; F47-D164 VanDerWaalsContact CD2-OD1 3.29Å; F47-D164 WeakPolarHBondContact CD2-OD1 3.38Å; F47-D164 HydrophobicContact CE2-CB 4.11Å; F47-D164 PolarHBondContact N-OD1 3.13Å; E160-D164 PolarHBondContact O-N 2.91Å; Y161-D164 WeakPolarHBondContact O-CB 3.47Å; Y161-D164 PolarHBondContact O-N 3.42Å; D164-L168 CarbonylContact O-C 3.37Å; D164-L168 WeakPolarHBondContact O-CB 3.45Å; D164-H169 PolarHBondContact O-N 3.18Å; D164-G170 PolarHBondContact O-N 3.27Å
165	K	96.6	Very high	91.1	Very high	39 Å²	39	71.1 Å²	71.1	17%	0.17	38%	0.379	C	S	.	.	H	α-helix	trans	-78.5	-50.1	-174.8	-61	-77.1	167	170.2	0	112.4	Y161 T162 F163 H169 E171	Y161-K165 HydrophobicContact CD1-CG 4.3Å; Y161-K165 HydrophobicContact CE1-CG 3.99Å; Y161-K165 HydrophobicContact CE2-CG 4.47Å; Y161-K165 WeakPolarHBondContact O-CG 3.4Å; Y161-K165 PolarHBondContact O-N 2.91Å; Y161-K165 WeakPolarHBondContact OH-CE 3.31Å; T162-K165 PolarHBondContact O-N 2.95Å; F163-K165 PolarHBondContact O-N 3.47Å; K165-H169 VanDerWaalsContact O-CA 3.24Å; K165-H169 WeakPolarHBondContact O-CA 3.39Å; K165-H169 PolarHBondContact O-N 3.35Å; K165-E171 HydrophobicContact CB-CG 4.41Å; K165-E171 HydrophobicContact CD-CG 3.19Å; K165-E171 WeakPolarHBondContact CD-OE1 3.39Å; K165-E171 HydrophobicContact CG-CG 4.36Å; K165-E171 IonicContact NZ-OE1 2.64Å
166	E	96.5	Very high	90.8	Very high	134 Å²	134	73.6 Å²	73.6	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-86.5	-39	-171.7	-61.6	-60.9	144	0	0	112.8	T162 H169	T162-E166 HydrophobicContact CG2-CG 3.88Å; T162-E166 WeakPolarHBondContact O-CB 3.34Å; T162-E166 WeakPolarHBondContact O-CG 3.47Å; T162-E166 PolarHBondContact O-N 3.49Å; E166-H169 PolarHBondContact O-CE1 2.96Å
167	T	97.5	Very high	90.5	Very high	49 Å²	49	71.4 Å²	71.4	30%	0.301	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-42.7	-175.2	-50.6	0	0	0	0	112	Y147 F163	Y147-T167 HydrophobicContact CD1-CG2 4.15Å; Y147-T167 HydrophobicContact CE1-CG2 3.68Å; F163-T167 HydrophobicContact CD2-CG2 4.24Å; F163-T167 HydrophobicContact CE2-CG2 3.65Å; F163-T167 HydrophobicContact CZ-CG2 3.8Å; F163-T167 WeakPolarHBondContact O-CA 3.46Å; F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.29Å; F163-T167 PolarHBondContact O-N 3.3Å
168	L	98	Very high	90.2	Very high	15 Å²	15	72.9 Å²	72.9	8%	0.079	37%	0.365	C	S	.	.	S	Bend	trans	-97.5	4.7	-179.9	-57.2	-175.5	0	0	0	113.2	F47 F50 M96 Y147 F163 D164 G170	F47-L168 HydrophobicContact CB-CD1 4.23Å; F47-L168 HydrophobicContact CD1-CD1 3.58Å; F47-L168 HydrophobicContact CD2-CD1 3.78Å; F47-L168 HydrophobicContact CE1-CD1 3.82Å; F47-L168 HydrophobicContact CE2-CD1 4Å; F47-L168 HydrophobicContact CG-CD1 3.58Å; F47-L168 HydrophobicContact CZ-CD1 4.02Å; F50-L168 HydrophobicContact CB-CD1 4.23Å; F50-L168 HydrophobicContact CB-CD2 4.24Å; F50-L168 HydrophobicContact CD2-CD2 4.14Å; F50-L168 HydrophobicContact CG-CD2 4.16Å; M96-L168 HydrophobicContact CE-CD1 4.04Å; Y147-L168 HydrophobicContact CD2-CD2 4.47Å; Y147-L168 HydrophobicContact CE2-CD2 3.89Å; F163-L168 HydrophobicContact CD1-CD1 4.23Å; F163-L168 HydrophobicContact CD1-CG 4.17Å; F163-L168 HydrophobicContact CE1-CD1 3.77Å; F163-L168 HydrophobicContact CE1-CD2 4.11Å; F163-L168 HydrophobicContact CE1-CG 3.67Å; F163-L168 HydrophobicContact CZ-CD2 4.48Å; F163-L168 HydrophobicContact CZ-CG 4.44Å; F163-L168 PolarHBondContact O-N 2.83Å; D164-L168 CarbonylContact O-C 3.37Å; D164-L168 WeakPolarHBondContact O-CB 3.45Å; L168-G170 VanDerWaalsContact C-N 3.32Å; L168-G170 PolarHBondContact O-N 3.42Å
169	H	94.2	Very high	89.7	Confident	122 Å²	122	68.7 Å²	68.7	57%	0.565	34%	0.342	S	S	*	.			trans	56.6	38.8	174.3	-54.1	-54.3	0	0	0	114.5	D164 K165 E166 E171 S172	D164-H169 PolarHBondContact O-N 3.18Å; K165-H169 VanDerWaalsContact O-CA 3.24Å; K165-H169 WeakPolarHBondContact O-CA 3.39Å; K165-H169 PolarHBondContact O-N 3.35Å; E166-H169 PolarHBondContact O-CE1 2.96Å; H169-E171 PolarHBondContact O-N 2.69Å; H169-S172 PolarHBondContact O-N 2.99Å; H169-S172 VanDerWaalsContact O-N 3.11Å; H169-S172 PolarHBondContact O-OG 3.16Å
170	G	81.4	Confident	89.1	Confident	3 Å²	3	72.6 Å²	72.6	3%	0.031	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12	-177.8	0	0	0	0	0	116.2	N45 G46 D164 L168	N45-G170 PolarHBondContact ND2-O 2.96Å; G46-G170 VanDerWaalsContact N-CA 3.33Å; D164-G170 PolarHBondContact O-N 3.27Å; L168-G170 VanDerWaalsContact C-N 3.32Å; L168-G170 PolarHBondContact O-N 3.42Å
171	E	78.8	Confident	88.4	Confident	130 Å²	130	76.5 Å²	76.5	61%	0.607	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.3	175.9	-56.6	-156.6	144.2	0	0	115	K165 H169 Q173	K165-E171 HydrophobicContact CB-CG 4.41Å; K165-E171 HydrophobicContact CD-CG 3.19Å; K165-E171 WeakPolarHBondContact CD-OE1 3.39Å; K165-E171 HydrophobicContact CG-CG 4.36Å; K165-E171 IonicContact NZ-OE1 2.64Å; H169-E171 PolarHBondContact O-N 2.69Å; E171-Q173 PolarHBondContact O-N 3.44Å; E171-Q173 VanDerWaalsContact O-N 3.15Å
172	S	62.9	Low	87.6	Confident	63 Å²	63	74.3 Å²	74.3	44%	0.441	37%	0.373	S	S	.	.			trans	-60.6	121	-178.6	50.4	0	0	0	0	110.6	K49 H169	K49-S172 PolarHBondContact NZ-O 3.43Å; K49-S172 PolarHBondContact NZ-OG 3.05Å; H169-S172 PolarHBondContact O-N 2.99Å; H169-S172 VanDerWaalsContact O-N 3.11Å; H169-S172 PolarHBondContact O-OG 3.16Å
173	Q	50.7	Low	86.7	Confident	265 Å²	265	75.3 Å²	75.3	100%	1.238	37%	0.372	S	S	*	.			trans	-69.1	0	177	-68.8	-178.8	0.4	0	0	111.6	E171	E171-Q173 PolarHBondContact O-N 3.44Å; E171-Q173 VanDerWaalsContact O-N 3.15Å

Retrieved 173 of 173 residues in 79.9 ms (Link to these results)

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