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Ferritin

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

AlphaFold DB , UniProt , Accession G4VBG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	51.2	Low	241 Å²	241	154.6 Å²	154.6	100%	1.187	80%	0.804	S	S	*	*				0	87.4	0	-79.1	169.2	159.2	0	0	108.8
2	N	43	Very low	53.7	Low	166 Å²	166	151.7 Å²	151.7	89%	0.888	78%	0.783	S	S	*	*			trans	-91.5	116.2	170.2	-88.8	-6.8	0	0	0	108.2	T4	N2-T4 PolarHBondContact O-N 2.9Å; N2-T4 VanDerWaalsContact O-N 3.17Å
3	K	44.7	Very low	56.8	Low	199 Å²	199	142.1 Å²	142.1	87%	0.865	74%	0.737	S	S	*	*			trans	-61.8	113.9	174.3	-71.4	179.6	177	179	0	108	V5	K3-V5 VanDerWaalsContact C-N 3.29Å; K3-V5 PolarHBondContact O-N 3.2Å
4	T	48.2	Very low	59.5	Low	137 Å²	137	146.5 Å²	146.5	84%	0.84	74%	0.74	S	S	*	*			trans	-63.8	95.4	166.7	-41.5	0	0	0	0	106.8	N2 S6	N2-T4 PolarHBondContact O-N 2.9Å; N2-T4 VanDerWaalsContact O-N 3.17Å; T4-S6 PolarHBondContact O-N 2.89Å
5	V	49.2	Very low	62	Low	115 Å²	115	140.5 Å²	140.5	70%	0.697	72%	0.722	S	S	*	*			trans	-61.2	111.1	167.6	177.4	0	0	0	0	105	K3 K7	K3-V5 VanDerWaalsContact C-N 3.29Å; K3-V5 PolarHBondContact O-N 3.2Å; V5-K7 HydrophobicContact CG1-CG 4.4Å; V5-K7 PolarHBondContact O-N 2.71Å
6	S	48.8	Very low	64.2	Low	106 Å²	106	136.1 Å²	136.1	74%	0.741	69%	0.693	S	S	*	*			trans	-63.6	77.9	169	-173.8	0	0	0	0	106.9	T4 H8	T4-S6 PolarHBondContact O-N 2.89Å; S6-H8 PolarHBondContact O-N 2.99Å
7	K	53.8	Low	66.1	Low	164 Å²	164	137.5 Å²	137.5	71%	0.713	70%	0.696	S	S	*	*			trans	-59.3	122.8	164.5	-84.4	-177.2	173.8	178.8	0	103.8	V5 I9	V5-K7 HydrophobicContact CG1-CG 4.4Å; V5-K7 PolarHBondContact O-N 2.71Å; K7-I9 VanDerWaalsContact O-CG1 3.25Å; K7-I9 WeakPolarHBondContact O-CG1 3.25Å; K7-I9 PolarHBondContact O-N 2.71Å
8	H	50.7	Low	67.8	Low	166 Å²	166	135 Å²	135	77%	0.769	69%	0.685	S	S	*	*			trans	-51.4	96.3	161.2	-75.2	-62.7	0	0	0	106.6	S6 F10	S6-H8 PolarHBondContact O-N 2.99Å; H8-F10 PolarHBondContact O-N 3.17Å
9	I	56.3	Low	69.4	Low	144 Å²	144	128.5 Å²	128.5	74%	0.738	65%	0.652	S	S	*	*			trans	-73.5	95	179.5	-55.1	-177.9	0	0	0	103.1	K7 T11	K7-I9 VanDerWaalsContact O-CG1 3.25Å; K7-I9 WeakPolarHBondContact O-CG1 3.25Å; K7-I9 PolarHBondContact O-N 2.71Å; I9-T11 VanDerWaalsContact C-N 3.28Å; I9-T11 PolarHBondContact O-N 3.31Å
10	F	54.9	Low	70.9	Confident	120 Å²	120	123.6 Å²	123.6	53%	0.526	63%	0.632	S	S	.	*			trans	-54.5	106.1	158.7	-67.5	-80.2	0	0	0	105.2	H8 E12	H8-F10 PolarHBondContact O-N 3.17Å; F10-E12 WeakPolarHBondContact CB-O 3.43Å; F10-E12 PolarHBondContact O-N 2.89Å
11	T	70.1	Confident	72.1	Confident	143 Å²	143	122.2 Å²	122.2	88%	0.877	62%	0.621	S	S	*	*	S	Bend	trans	-62.5	-27.7	178.5	45.2	0	0	0	0	110.1	I9	I9-T11 VanDerWaalsContact C-N 3.28Å; I9-T11 PolarHBondContact O-N 3.31Å
12	E	81	Confident	74.8	Confident	119 Å²	119	114.4 Å²	114.4	56%	0.556	58%	0.582	S	S	*	*	S	Bend	trans	-113.8	141.9	174.9	-169.5	164.3	-153.1	0	0	112.3	F10 R16	F10-E12 WeakPolarHBondContact CB-O 3.43Å; F10-E12 PolarHBondContact O-N 2.89Å; E12-R16 WeakPolarHBondContact OE1-CD 3.46Å
13	S	93.9	Very high	77.4	Confident	27 Å²	27	106.5 Å²	106.5	19%	0.189	54%	0.54	C	S	.	.			trans	-67.4	133.2	175.9	-174	0	0	0	0	111.3	A15 R16 G84	S13-A15 PolarHBondContact O-N 3.1Å; S13-A15 PolarHBondContact OG-N 3.27Å; S13-R16 WeakPolarHBondContact O-CB 3.45Å; S13-R16 PolarHBondContact O-N 3.17Å; S13-R16 VanDerWaalsContact O-N 3.1Å; S13-G84 WeakPolarHBondContact CB-O 3.48Å; S13-G84 WeakPolarHBondContact OG-CA 3.37Å
14	R	95.4	Very high	80	Confident	204 Å²	204	97.4 Å²	97.4	77%	0.77	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.8	172.9	-63.4	-178.2	-177.5	-176.9	-1.5	113.8
15	A	96.1	Very high	82.4	Confident	57 Å²	57	93.6 Å²	93.6	47%	0.471	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.9	178.7	0	0	0	0	0	113.2	S13 Q17	S13-A15 PolarHBondContact O-N 3.1Å; S13-A15 PolarHBondContact OG-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.35Å
16	R	97.3	Very high	84.8	Confident	69 Å²	69	88.6 Å²	88.6	26%	0.26	45%	0.445	S	S	.	.			trans	-72.7	118.4	-175.5	171.4	167	-84.4	-174.5	-6.8	110	E12 S13 E24 R83	E12-R16 WeakPolarHBondContact OE1-CD 3.46Å; S13-R16 WeakPolarHBondContact O-CB 3.45Å; S13-R16 PolarHBondContact O-N 3.17Å; S13-R16 VanDerWaalsContact O-N 3.1Å; R16-E24 IonicContact CZ-OE2 2.89Å; R16-E24 IonicContact NH1-OE2 3.65Å; R16-E24 IonicContact NH2-OE1 3.63Å; R16-E24 IonicContact NH2-OE2 2.87Å; R16-E24 PolarHBondContact NH2-OE2 3.35Å; R16-R83 WeakPolarHBondContact CA-O 3.08Å
17	Q	96.6	Very high	87.2	Confident	160 Å²	160	83.5 Å²	83.5	75%	0.748	41%	0.41	S	S	*	.	S	Bend	trans	-149.2	132.4	173.9	-175.6	-171.4	0.9	0	0	109.2	A15 F19 R83	A15-Q17 PolarHBondContact O-N 3.35Å; Q17-F19 PolarHBondContact O-N 3Å; Q17-F19 VanDerWaalsContact O-N 3.11Å; Q17-R83 PolarHBondContact O-NH2 3.36Å
18	N	97.3	Very high	89.3	Confident	93 Å²	93	76.1 Å²	76.1	50%	0.497	38%	0.378	S	S	.	.	S	Bend	trans	46.9	40.4	-179.2	-164.2	49.7	0	0	0	113.2	R83 N132	N18-R83 PolarHBondContact O-NH2 3.1Å; N18-N132 PolarHBondContact ND2-O 2.94Å
19	F	98	Very high	91.6	Very high	11 Å²	11	75.5 Å²	75.5	5%	0.048	37%	0.373	C	S	.	.			trans	-128.9	91.6	-174.1	-169.3	-127.6	0	0	0	109.2	Q17 C23 E24 I27 Q80 R83 L136	Q17-F19 PolarHBondContact O-N 3Å; Q17-F19 VanDerWaalsContact O-N 3.11Å; F19-C23 HydrophobicContact CD2-CB 4.18Å; F19-C23 HydrophobicContact CE2-CB 3.88Å; F19-E24 HydrophobicContact CD1-CB 4.49Å; F19-E24 HydrophobicContact CE1-CB 3.72Å; F19-E24 HydrophobicContact CZ-CB 3.96Å; F19-I27 HydrophobicContact CE2-CD1 3.78Å; F19-I27 HydrophobicContact CZ-CD1 3.66Å; F19-Q80 VanDerWaalsContact CZ-OE1 3.3Å; F19-R83 HydrophobicContact CB-CB 4.48Å; F19-R83 HydrophobicContact CD1-CB 3.72Å; F19-R83 WeakPolarHBondContact CD1-O 3.37Å; F19-R83 HydrophobicContact CD2-CB 3.97Å; F19-R83 HydrophobicContact CD2-CG 4.39Å; F19-R83 HydrophobicContact CE1-CB 3.83Å; F19-R83 HydrophobicContact CE2-CB 4.08Å; F19-R83 HydrophobicContact CE2-CG 4.39Å; F19-R83 HydrophobicContact CG-CB 3.81Å; F19-R83 HydrophobicContact CZ-CB 4.01Å; F19-L136 HydrophobicContact CE2-CD2 4.32Å
20	A	98.2	Very high	93.6	Very high	31 Å²	31	68.6 Å²	68.6	26%	0.256	34%	0.338	S	S	.	.			trans	-66.1	149.6	-174.6	0	0	0	0	0	111.2	E22 C23 E24 N131	A20-E22 PolarHBondContact O-N 2.91Å; A20-C23 WeakPolarHBondContact O-CB 3.4Å; A20-C23 PolarHBondContact O-N 3.01Å; A20-E24 PolarHBondContact O-N 3.11Å; A20-E24 VanDerWaalsContact O-N 3.1Å; A20-N131 HydrophobicContact CB-CB 4.01Å; A20-N131 VanDerWaalsContact CB-OD1 3.26Å; A20-N131 WeakPolarHBondContact CB-OD1 3.4Å
21	K	98	Very high	95.7	Very high	94 Å²	94	63 Å²	63	41%	0.409	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-38.6	176.6	-179	53.4	178.5	157.3	0	111.9	C23 E24 D25	K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.42Å; K21-E24 HydrophobicContact CD-CG 4.11Å; K21-E24 WeakPolarHBondContact CD-OE2 3.43Å; K21-E24 VanDerWaalsContact NZ-CD 3.27Å; K21-E24 IonicContact NZ-OE1 3.84Å; K21-E24 IonicContact NZ-OE2 2.69Å; K21-E24 PolarHBondContact NZ-OE2 2.71Å; K21-E24 PolarHBondContact O-N 3.17Å; K21-D25 WeakPolarHBondContact CE-OD1 3.42Å; K21-D25 WeakPolarHBondContact CE-OD2 3.35Å; K21-D25 IonicContact NZ-OD1 3.48Å; K21-D25 PolarHBondContact NZ-OD1 3.04Å; K21-D25 IonicContact NZ-OD2 3.64Å; K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 2.66Å
22	E	98.7	Very high	97.1	Very high	78 Å²	78	57.6 Å²	57.6	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-39.1	176.2	-165	179.4	-155.9	0	0	112.1	A20 A26 I127 K130 N131	A20-E22 PolarHBondContact O-N 2.91Å; E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.07Å; E22-A26 PolarHBondContact O-N 3.21Å; E22-I127 HydrophobicContact CB-CG2 4.29Å; E22-I127 HydrophobicContact CG-CG2 3.75Å; E22-K130 VanDerWaalsContact CD-NZ 3.3Å; E22-K130 IonicContact OE1-NZ 2.85Å; E22-K130 PolarHBondContact OE1-NZ 3.38Å; E22-K130 IonicContact OE2-NZ 3.74Å; E22-K130 PolarHBondContact OE2-NZ 2.94Å; E22-N131 PolarHBondContact OE2-ND2 3.37Å
23	C	98.8	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-44.3	175.4	-59.2	0	0	0	0	111.8	F19 A20 K21 D25 A26 I27 L136	F19-C23 HydrophobicContact CD2-CB 4.18Å; F19-C23 HydrophobicContact CE2-CB 3.88Å; A20-C23 WeakPolarHBondContact O-CB 3.4Å; A20-C23 PolarHBondContact O-N 3.01Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.42Å; C23-D25 VanDerWaalsContact C-N 3.3Å; C23-D25 PolarHBondContact O-N 2.92Å; C23-A26 PolarHBondContact O-N 3.33Å; C23-I27 WeakPolarHBondContact O-CG1 3.29Å; C23-I27 PolarHBondContact O-N 2.9Å; C23-L136 HydrophobicContact CB-CD2 3.68Å
24	E	98.7	Very high	98.2	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-42.5	175.5	140.8	169.3	-116.1	0	0	111.7	R16 F19 A20 K21 I27 N28 Q80 G85 R86	R16-E24 IonicContact CZ-OE2 2.89Å; R16-E24 IonicContact NH1-OE2 3.65Å; R16-E24 IonicContact NH2-OE1 3.63Å; R16-E24 IonicContact NH2-OE2 2.87Å; R16-E24 PolarHBondContact NH2-OE2 3.35Å; F19-E24 HydrophobicContact CD1-CB 4.49Å; F19-E24 HydrophobicContact CE1-CB 3.72Å; F19-E24 HydrophobicContact CZ-CB 3.96Å; A20-E24 PolarHBondContact O-N 3.11Å; A20-E24 VanDerWaalsContact O-N 3.1Å; K21-E24 HydrophobicContact CD-CG 4.11Å; K21-E24 WeakPolarHBondContact CD-OE2 3.43Å; K21-E24 VanDerWaalsContact NZ-CD 3.27Å; K21-E24 IonicContact NZ-OE1 3.84Å; K21-E24 IonicContact NZ-OE2 2.69Å; K21-E24 PolarHBondContact NZ-OE2 2.71Å; K21-E24 PolarHBondContact O-N 3.17Å; E24-I27 PolarHBondContact O-N 3.26Å; E24-N28 PolarHBondContact O-N 2.89Å; E24-N28 VanDerWaalsContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 3.35Å; E24-Q80 VanDerWaalsContact CG-NE2 3.27Å; E24-Q80 PolarHBondContact O-NE2 2.73Å; E24-G85 WeakPolarHBondContact OE1-CA 3.48Å; E24-R86 PolarHBondContact OE1-N 2.99Å
25	D	98.7	Very high	98.3	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-35.5	-179.7	-67.7	-21.8	0	0	0	111.5	K21 C23 N28 K29	K21-D25 WeakPolarHBondContact CE-OD1 3.42Å; K21-D25 WeakPolarHBondContact CE-OD2 3.35Å; K21-D25 IonicContact NZ-OD1 3.48Å; K21-D25 PolarHBondContact NZ-OD1 3.04Å; K21-D25 IonicContact NZ-OD2 3.64Å; K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 2.66Å; C23-D25 VanDerWaalsContact C-N 3.3Å; C23-D25 PolarHBondContact O-N 2.92Å; D25-N28 PolarHBondContact O-N 2.88Å; D25-K29 WeakPolarHBondContact O-CG 3.42Å; D25-K29 PolarHBondContact O-N 2.89Å; D25-K29 VanDerWaalsContact O-N 3.08Å
26	A	98.9	Very high	98.5	Very high	10 Å²	10	44.4 Å²	44.4	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40.1	174.9	0	0	0	0	0	112.1	E22 C23 N28 K29 Q30 L124 I127	E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.07Å; E22-A26 PolarHBondContact O-N 3.21Å; C23-A26 PolarHBondContact O-N 3.33Å; A26-N28 VanDerWaalsContact C-N 3.34Å; A26-N28 PolarHBondContact O-N 3.26Å; A26-K29 WeakPolarHBondContact O-CB 3.02Å; A26-K29 PolarHBondContact O-N 3.17Å; A26-Q30 PolarHBondContact O-N 3.35Å; A26-L124 HydrophobicContact CB-CD1 3.38Å; A26-I127 HydrophobicContact CB-CD1 3.82Å; A26-I127 HydrophobicContact CB-CG2 4.39Å
27	I	98.9	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-41.1	172.7	-71.4	160.9	0	0	0	110.9	F19 C23 E24 K29 Q30 I31 L76 Y79 Q80 L124 L136	F19-I27 HydrophobicContact CE2-CD1 3.78Å; F19-I27 HydrophobicContact CZ-CD1 3.66Å; C23-I27 WeakPolarHBondContact O-CG1 3.29Å; C23-I27 PolarHBondContact O-N 2.9Å; E24-I27 PolarHBondContact O-N 3.26Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.48Å; I27-Q30 PolarHBondContact O-N 2.81Å; I27-Q30 VanDerWaalsContact O-N 3.13Å; I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 3.34Å; I27-L76 HydrophobicContact CG2-CB 4.34Å; I27-L76 HydrophobicContact CG2-CD2 4.4Å; I27-Y79 HydrophobicContact CD1-CD1 4.22Å; I27-Y79 HydrophobicContact CD1-CE1 4.38Å; I27-Q80 HydrophobicContact CG2-CB 3.99Å; I27-Q80 HydrophobicContact CG2-CG 4.38Å; I27-L124 HydrophobicContact CG1-CD1 3.96Å; I27-L124 HydrophobicContact CG1-CD2 4.11Å; I27-L136 HydrophobicContact CD1-CD1 3.85Å; I27-L136 HydrophobicContact CD1-CD2 4.08Å; I27-L136 HydrophobicContact CG1-CD1 4.37Å
28	N	98.9	Very high	98.6	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-38.3	175.4	-77.1	-34.6	0	0	0	112.4	E24 D25 A26 N32 R86 V87 Q88	E24-N28 PolarHBondContact O-N 2.89Å; E24-N28 VanDerWaalsContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 3.35Å; D25-N28 PolarHBondContact O-N 2.88Å; A26-N28 VanDerWaalsContact C-N 3.34Å; A26-N28 PolarHBondContact O-N 3.26Å; N28-N32 PolarHBondContact O-N 3.37Å; N28-N32 VanDerWaalsContact O-N 3.17Å; N28-R86 PolarHBondContact ND2-O 3.32Å; N28-R86 PolarHBondContact OD1-O 2.85Å; N28-V87 VanDerWaalsContact OD1-CA 3.26Å; N28-V87 WeakPolarHBondContact OD1-CA 3.43Å; N28-Q88 PolarHBondContact OD1-N 2.84Å
29	K	98.8	Very high	98.7	Very high	152 Å²	152	34.3 Å²	34.3	66%	0.661	17%	0.167	S	C	*	.	H	α-helix	trans	-64.3	-44	172.9	-70.2	174.7	-177.2	178	0	111.7	D25 A26 I27 N32 M33	D25-K29 WeakPolarHBondContact O-CG 3.42Å; D25-K29 PolarHBondContact O-N 2.89Å; D25-K29 VanDerWaalsContact O-N 3.08Å; A26-K29 WeakPolarHBondContact O-CB 3.02Å; A26-K29 PolarHBondContact O-N 3.17Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.48Å; K29-N32 WeakPolarHBondContact O-CB 3.31Å; K29-N32 PolarHBondContact O-N 3.38Å; K29-M33 PolarHBondContact O-N 2.94Å
30	Q	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-44.2	178.5	-166.9	65.4	30.7	0	0	111.4	A26 I27 N32 M33 E34 L76 S120 L121 L124	A26-Q30 PolarHBondContact O-N 3.35Å; I27-Q30 PolarHBondContact O-N 2.81Å; I27-Q30 VanDerWaalsContact O-N 3.13Å; Q30-N32 PolarHBondContact O-N 3.13Å; Q30-M33 WeakPolarHBondContact O-CA 3.48Å; Q30-M33 WeakPolarHBondContact O-CB 3.48Å; Q30-M33 PolarHBondContact O-N 2.79Å; Q30-E34 PolarHBondContact NE2-OE1 3.15Å; Q30-E34 WeakPolarHBondContact O-CG 3.36Å; Q30-E34 PolarHBondContact O-N 2.85Å; Q30-L76 HydrophobicContact CB-CD1 3.93Å; Q30-L76 HydrophobicContact CG-CD1 3.48Å; Q30-L76 VanDerWaalsContact CG-CD1 3.48Å; Q30-L76 HydrophobicContact CG-CD2 4.44Å; Q30-S120 VanDerWaalsContact OE1-CB 3.26Å; Q30-S120 PolarHBondContact OE1-OG 3.13Å; Q30-L121 HydrophobicContact CG-CD2 3.82Å; Q30-L124 HydrophobicContact CB-CD2 4.14Å; Q30-L124 HydrophobicContact CG-CD2 4.39Å
31	I	98.9	Very high	98.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-52.5	-44.8	173.3	-69.4	165.8	0	0	0	110.5	I27 M33 L35 L76 A77 V87 Y89	I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 3.34Å; I31-M33 VanDerWaalsContact C-N 3.31Å; I31-M33 PolarHBondContact O-N 3.11Å; I31-L35 HydrophobicContact CG2-CD1 3.98Å; I31-L35 WeakPolarHBondContact O-CB 3.34Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.39Å; I31-L35 PolarHBondContact O-N 3.1Å; I31-L76 HydrophobicContact CD1-CB 4.17Å; I31-L76 HydrophobicContact CG1-CB 3.46Å; I31-L76 VanDerWaalsContact CG1-CB 3.46Å; I31-L76 HydrophobicContact CG1-CD1 4.25Å; I31-L76 HydrophobicContact CG1-CG 4.47Å; I31-A77 HydrophobicContact CD1-CB 4.07Å; I31-V87 HydrophobicContact CD1-CG1 4.12Å; I31-V87 HydrophobicContact CD1-CG2 4.29Å; I31-Y89 HydrophobicContact CG2-CE1 4.22Å
32	N	98.8	Very high	98.8	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-32.8	178.3	-163.2	86.1	0	0	0	112.8	N28 K29 Q30 Q36 S90	N28-N32 PolarHBondContact O-N 3.37Å; N28-N32 VanDerWaalsContact O-N 3.17Å; K29-N32 WeakPolarHBondContact O-CB 3.31Å; K29-N32 PolarHBondContact O-N 3.38Å; Q30-N32 PolarHBondContact O-N 3.13Å; N32-Q36 WeakPolarHBondContact O-CB 3.46Å; N32-Q36 PolarHBondContact O-N 2.96Å; N32-S90 WeakPolarHBondContact OD1-CB 3.48Å; N32-S90 PolarHBondContact OD1-N 3.29Å; N32-S90 PolarHBondContact OD1-O 3.43Å; N32-S90 VanDerWaalsContact OD1-O 3.12Å
33	M	98.7	Very high	98.8	Very high	56 Å²	56	30.2 Å²	30.2	28%	0.276	15%	0.148	S	C	.	.	H	α-helix	trans	-68.8	-44.2	177	-167.8	160.9	-170	0	0	111.4	K29 Q30 I31 L35 Q36 A37 A116 V117 S120	K29-M33 PolarHBondContact O-N 2.94Å; Q30-M33 WeakPolarHBondContact O-CA 3.48Å; Q30-M33 WeakPolarHBondContact O-CB 3.48Å; Q30-M33 PolarHBondContact O-N 2.79Å; I31-M33 VanDerWaalsContact C-N 3.31Å; I31-M33 PolarHBondContact O-N 3.11Å; M33-L35 VanDerWaalsContact C-N 3.35Å; M33-L35 PolarHBondContact O-N 3.21Å; M33-Q36 WeakPolarHBondContact O-CB 3.26Å; M33-Q36 PolarHBondContact O-N 3.07Å; M33-Q36 VanDerWaalsContact O-N 3.16Å; M33-A37 PolarHBondContact O-N 3.28Å; M33-A116 VanDerWaalsContact CE-C 3.41Å; M33-A116 HydrophobicContact CE-CB 3.9Å; M33-A116 VanDerWaalsContact CE-O 3.31Å; M33-A116 WeakPolarHBondContact CE-O 3.38Å; M33-V117 HydrophobicContact CE-CG2 4.13Å; M33-V117 HydrophobicContact CG-CG2 4.31Å; M33-S120 WeakPolarHBondContact SD-CB 3.43Å
34	E	98.9	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-38.6	175.9	-52.3	-47.8	176.5	0	0	111.7	Q30 Q36 A37 A38 E69 H72 A73 L76 V117	Q30-E34 PolarHBondContact NE2-OE1 3.15Å; Q30-E34 WeakPolarHBondContact O-CG 3.36Å; Q30-E34 PolarHBondContact O-N 2.85Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 3.21Å; E34-A37 PolarHBondContact O-N 2.98Å; E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3.04Å; E34-E69 WeakPolarHBondContact CB-O 3.38Å; E34-H72 HydrophobicContact CB-CB 4.27Å; E34-H72 HydrophobicContact CG-CB 3.91Å; E34-A73 HydrophobicContact CB-CB 3.78Å; E34-L76 HydrophobicContact CG-CD1 3.73Å; E34-V117 WeakPolarHBondContact OE2-CG1 3.25Å
35	L	98.9	Very high	98.8	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.199	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-34	173.7	-70.5	172	0	0	0	112.6	I31 M33 Y39 A73 Y89 I92	I31-L35 HydrophobicContact CG2-CD1 3.98Å; I31-L35 WeakPolarHBondContact O-CB 3.34Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.39Å; I31-L35 PolarHBondContact O-N 3.1Å; M33-L35 VanDerWaalsContact C-N 3.35Å; M33-L35 PolarHBondContact O-N 3.21Å; L35-Y39 PolarHBondContact O-N 3Å; L35-A73 HydrophobicContact CD2-CB 3.76Å; L35-A73 HydrophobicContact CG-CB 3.76Å; L35-Y89 HydrophobicContact CD1-CD1 3.98Å; L35-Y89 HydrophobicContact CD1-CE1 4.04Å; L35-I92 HydrophobicContact CB-CD1 3.75Å; L35-I92 HydrophobicContact CB-CG1 4.39Å; L35-I92 HydrophobicContact CD1-CD1 4.44Å
36	Q	98.7	Very high	98.7	Very high	36 Å²	36	33.1 Å²	33.1	17%	0.168	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-45.3	172.9	-176.8	66.8	63.8	0	0	110.8	N32 M33 E34 A38 Y39 D40 I92 K93	N32-Q36 WeakPolarHBondContact O-CB 3.46Å; N32-Q36 PolarHBondContact O-N 2.96Å; M33-Q36 WeakPolarHBondContact O-CB 3.26Å; M33-Q36 PolarHBondContact O-N 3.07Å; M33-Q36 VanDerWaalsContact O-N 3.16Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 3.21Å; Q36-A38 VanDerWaalsContact C-N 3.33Å; Q36-A38 PolarHBondContact O-N 3.17Å; Q36-Y39 PolarHBondContact O-N 2.91Å; Q36-Y39 VanDerWaalsContact O-N 3.08Å; Q36-D40 PolarHBondContact NE2-OD1 2.91Å; Q36-D40 VanDerWaalsContact O-CG 3.26Å; Q36-D40 PolarHBondContact O-N 3.29Å; Q36-I92 HydrophobicContact CB-CG2 4.44Å; Q36-K93 PolarHBondContact NE2-O 2.95Å; Q36-K93 PolarHBondContact OE1-O 3.15Å
37	A	98.7	Very high	98.7	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-42.7	177.2	0	0	0	0	0	111.6	M33 E34 Y39 D40 Y41 E69 V117	M33-A37 PolarHBondContact O-N 3.28Å; E34-A37 PolarHBondContact O-N 2.98Å; A37-Y39 VanDerWaalsContact C-N 3.29Å; A37-Y39 PolarHBondContact O-N 3.08Å; A37-D40 PolarHBondContact O-N 3.38Å; A37-Y41 PolarHBondContact O-N 3.49Å; A37-E69 HydrophobicContact CB-CB 4.22Å; A37-E69 HydrophobicContact CB-CG 3.86Å; A37-V117 HydrophobicContact CB-CG2 4.49Å
38	A	98.8	Very high	98.7	Very high	10 Å²	10	33.8 Å²	33.8	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-42.7	172.5	0	0	0	0	0	111.9	E34 Q36 M42 S66 E69 R70	E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3.04Å; Q36-A38 VanDerWaalsContact C-N 3.33Å; Q36-A38 PolarHBondContact O-N 3.17Å; A38-M42 PolarHBondContact O-N 3.27Å; A38-S66 WeakPolarHBondContact CB-O 3.43Å; A38-S66 WeakPolarHBondContact O-CB 3.38Å; A38-S66 PolarHBondContact O-OG 2.69Å; A38-E69 HydrophobicContact CB-CB 3.86Å; A38-R70 HydrophobicContact CB-CB 4.18Å
39	Y	98.6	Very high	98.7	Very high	94 Å²	94	38.2 Å²	38.2	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-70.9	-39.5	178.7	-167.5	-163	0	0	0	112.3	L35 Q36 A37 M42 A43 I92 P95	L35-Y39 PolarHBondContact O-N 3Å; Q36-Y39 PolarHBondContact O-N 2.91Å; Q36-Y39 VanDerWaalsContact O-N 3.08Å; A37-Y39 VanDerWaalsContact C-N 3.29Å; A37-Y39 PolarHBondContact O-N 3.08Å; Y39-M42 HydrophobicContact CD2-CE 3.5Å; Y39-M42 HydrophobicContact CE2-CE 3.5Å; Y39-M42 VanDerWaalsContact CE2-CE 3.5Å; Y39-M42 WeakPolarHBondContact O-CB 3.37Å; Y39-M42 PolarHBondContact O-N 3.28Å; Y39-A43 PolarHBondContact O-N 3.49Å; Y39-I92 HydrophobicContact CD1-CG2 3.62Å; Y39-I92 HydrophobicContact CE1-CG2 4.49Å; Y39-I92 HydrophobicContact CG-CG2 4.35Å; Y39-P95 HydrophobicContact CD1-CG 4.1Å; Y39-P95 HydrophobicContact CD2-CG 4.1Å; Y39-P95 HydrophobicContact CE1-CG 4.34Å; Y39-P95 HydrophobicContact CE2-CG 4.32Å; Y39-P95 HydrophobicContact CG-CG 4.02Å
40	D	98.7	Very high	98.7	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-48.1	176	-66.9	-20.9	0	0	0	110	Q36 A37 M42 A43 F44 P95 M113	Q36-D40 PolarHBondContact NE2-OD1 2.91Å; Q36-D40 VanDerWaalsContact O-CG 3.26Å; Q36-D40 PolarHBondContact O-N 3.29Å; A37-D40 PolarHBondContact O-N 3.38Å; D40-M42 VanDerWaalsContact C-N 3.27Å; D40-M42 PolarHBondContact O-N 3.31Å; D40-A43 WeakPolarHBondContact O-CA 3.36Å; D40-A43 VanDerWaalsContact O-CB 3.25Å; D40-A43 WeakPolarHBondContact O-CB 3.34Å; D40-A43 PolarHBondContact O-N 3.04Å; D40-F44 WeakPolarHBondContact O-CD2 3.26Å; D40-F44 PolarHBondContact O-N 2.66Å; D40-F44 VanDerWaalsContact O-N 3.17Å; D40-P95 VanDerWaalsContact OD1-CA 3.29Å; D40-P95 WeakPolarHBondContact OD1-CA 3.44Å; D40-P95 VanDerWaalsContact OD1-CB 3.29Å; D40-P95 WeakPolarHBondContact OD1-CB 3.4Å; D40-P95 WeakPolarHBondContact OD1-CG 3.38Å; D40-M113 HydrophobicContact CB-CE 3.51Å; D40-M113 HydrophobicContact CB-SD 4.33Å
41	Y	98.7	Very high	98.6	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-28.5	175.8	-77.9	-46.9	0	0	0	114.1	A37 A43 F44 F45 F62 A65 E69 A110 M113 E114	A37-Y41 PolarHBondContact O-N 3.49Å; Y41-A43 VanDerWaalsContact C-N 3.27Å; Y41-A43 PolarHBondContact O-N 2.66Å; Y41-F44 HydrophobicContact CD1-CD1 4.23Å; Y41-F44 HydrophobicContact CD1-CD2 4.46Å; Y41-F44 HydrophobicContact CD1-CE1 4.5Å; Y41-F44 HydrophobicContact CD1-CG 4.2Å; Y41-F44 HydrophobicContact CE1-CD1 4.44Å; Y41-F44 HydrophobicContact CE1-CE1 4.36Å; Y41-F44 WeakPolarHBondContact O-CB 3.13Å; Y41-F44 PolarHBondContact O-N 2.97Å; Y41-F45 PolarHBondContact O-N 3.39Å; Y41-F62 AromaticContact CD1-CD1 3.52Å; Y41-F62 HydrophobicContact CD1-CD1 3.52Å; Y41-F62 HydrophobicContact CD1-CE1 4.08Å; Y41-F62 HydrophobicContact CD1-CG 4.46Å; Y41-F62 AromaticContact CE1-CD1 3.7Å; Y41-F62 HydrophobicContact CE1-CD1 3.7Å; Y41-F62 AromaticContact CE1-CE1 3.81Å; Y41-F62 HydrophobicContact CE1-CE1 3.81Å; Y41-A65 HydrophobicContact CD1-CB 4.26Å; Y41-A65 HydrophobicContact CD2-CB 3.8Å; Y41-A65 HydrophobicContact CE2-CB 4.06Å; Y41-A65 HydrophobicContact CG-CB 3.91Å; Y41-E69 HydrophobicContact CD2-CG 3.79Å; Y41-E69 HydrophobicContact CE2-CG 3.99Å; Y41-A110 HydrophobicContact CE1-CB 3.94Å; Y41-M113 HydrophobicContact CD1-CE 4.32Å; Y41-M113 HydrophobicContact CD2-CE 4.33Å; Y41-M113 HydrophobicContact CE1-CE 4.11Å; Y41-M113 HydrophobicContact CE2-CE 4.14Å; Y41-M113 HydrophobicContact CG-CE 4.42Å; Y41-E114 WeakPolarHBondContact CE2-OE1 3.31Å; Y41-E114 PolarHBondContact OH-OE1 3Å
42	M	98.7	Very high	98.6	Very high	87 Å²	87	47.3 Å²	47.3	43%	0.429	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-37.6	169.9	-170.7	170.7	64.1	0	0	111.1	A38 Y39 D40 F45 T46	A38-M42 PolarHBondContact O-N 3.27Å; Y39-M42 HydrophobicContact CD2-CE 3.5Å; Y39-M42 HydrophobicContact CE2-CE 3.5Å; Y39-M42 VanDerWaalsContact CE2-CE 3.5Å; Y39-M42 WeakPolarHBondContact O-CB 3.37Å; Y39-M42 PolarHBondContact O-N 3.28Å; D40-M42 VanDerWaalsContact C-N 3.27Å; D40-M42 PolarHBondContact O-N 3.31Å; M42-F45 PolarHBondContact O-N 3.29Å; M42-T46 WeakPolarHBondContact O-CG2 3.28Å; M42-T46 PolarHBondContact O-N 2.88Å; M42-T46 PolarHBondContact O-OG1 3Å
43	A	98.6	Very high	98.5	Very high	12 Å²	12	47.2 Å²	47.2	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-40.8	174	0	0	0	0	0	112	Y39 D40 Y41 T46 Y47 P95 V98	Y39-A43 PolarHBondContact O-N 3.49Å; D40-A43 WeakPolarHBondContact O-CA 3.36Å; D40-A43 VanDerWaalsContact O-CB 3.25Å; D40-A43 WeakPolarHBondContact O-CB 3.34Å; D40-A43 PolarHBondContact O-N 3.04Å; Y41-A43 VanDerWaalsContact C-N 3.27Å; Y41-A43 PolarHBondContact O-N 2.66Å; A43-T46 PolarHBondContact O-N 3.32Å; A43-T46 PolarHBondContact O-OG1 3.48Å; A43-T46 VanDerWaalsContact O-OG1 3.06Å; A43-Y47 WeakPolarHBondContact O-CB 3.39Å; A43-Y47 PolarHBondContact O-N 3.43Å; A43-P95 HydrophobicContact CB-CB 3.9Å; A43-P95 HydrophobicContact CB-CG 4.01Å; A43-V98 HydrophobicContact CB-CG1 4.04Å
44	F	98.6	Very high	98.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-49.6	175.9	-74	-134	0	0	0	110.6	D40 Y41 T46 Y47 F48 F62 F100 A106 T109 A110 M113	D40-F44 WeakPolarHBondContact O-CD2 3.26Å; D40-F44 PolarHBondContact O-N 2.66Å; D40-F44 VanDerWaalsContact O-N 3.17Å; Y41-F44 HydrophobicContact CD1-CD1 4.23Å; Y41-F44 HydrophobicContact CD1-CD2 4.46Å; Y41-F44 HydrophobicContact CD1-CE1 4.5Å; Y41-F44 HydrophobicContact CD1-CG 4.2Å; Y41-F44 HydrophobicContact CE1-CD1 4.44Å; Y41-F44 HydrophobicContact CE1-CE1 4.36Å; Y41-F44 WeakPolarHBondContact O-CB 3.13Å; Y41-F44 PolarHBondContact O-N 2.97Å; F44-T46 PolarHBondContact O-N 3.49Å; F44-Y47 PolarHBondContact O-N 2.98Å; F44-F48 WeakPolarHBondContact O-CD2 3.22Å; F44-F48 PolarHBondContact O-N 2.81Å; F44-F48 VanDerWaalsContact O-N 3.1Å; F44-F62 HydrophobicContact CB-CB 3.76Å; F44-F62 HydrophobicContact CB-CD1 4.09Å; F44-F62 HydrophobicContact CB-CD2 3.93Å; F44-F62 HydrophobicContact CB-CG 3.66Å; F44-F62 AromaticContact CD1-CD1 3.85Å; F44-F62 HydrophobicContact CD1-CD1 3.85Å; F44-F62 HydrophobicContact CD1-CD2 4.21Å; F44-F62 AromaticContact CD1-CE1 3.67Å; F44-F62 HydrophobicContact CD1-CE1 3.67Å; F44-F62 HydrophobicContact CD1-CE2 4.06Å; F44-F62 HydrophobicContact CD1-CG 4.12Å; F44-F62 AromaticContact CD1-CZ 3.79Å; F44-F62 HydrophobicContact CD1-CZ 3.79Å; F44-F62 HydrophobicContact CE1-CE1 4.22Å; F44-F62 HydrophobicContact CE1-CZ 4.38Å; F44-F62 HydrophobicContact CG-CD1 4.33Å; F44-F62 HydrophobicContact CG-CG 4.35Å; F44-F100 HydrophobicContact CB-CE2 4.49Å; F44-F100 HydrophobicContact CB-CZ 4.47Å; F44-F100 HydrophobicContact CD1-CE1 4.11Å; F44-F100 HydrophobicContact CD1-CE2 4.36Å; F44-F100 AromaticContact CD1-CZ 3.68Å; F44-F100 HydrophobicContact CD1-CZ 3.68Å; F44-F100 HydrophobicContact CD2-CE1 4.41Å; F44-F100 HydrophobicContact CD2-CE2 4.12Å; F44-F100 AromaticContact CD2-CZ 3.45Å; F44-F100 HydrophobicContact CD2-CZ 3.45Å; F44-F100 VanDerWaalsContact CD2-CZ 3.45Å; F44-F100 AromaticContact CE1-CE1 3.77Å; F44-F100 HydrophobicContact CE1-CE1 3.77Å; F44-F100 AromaticContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE2-CE1 4.13Å; F44-F100 AromaticContact CE2-CZ 3.52Å; F44-F100 HydrophobicContact CE2-CZ 3.52Å; F44-F100 HydrophobicContact CG-CE1 4.43Å; F44-F100 HydrophobicContact CG-CE2 4.04Å; F44-F100 AromaticContact CG-CZ 3.57Å; F44-F100 HydrophobicContact CG-CZ 3.57Å; F44-F100 AromaticContact CZ-CE1 3.81Å; F44-F100 HydrophobicContact CZ-CE1 3.81Å; F44-F100 AromaticContact CZ-CZ 3.65Å; F44-F100 HydrophobicContact CZ-CZ 3.65Å; F44-A106 HydrophobicContact CD1-CB 4.43Å; F44-A106 HydrophobicContact CE1-CB 4.47Å; F44-T109 HydrophobicContact CE1-CG2 4.39Å; F44-T109 HydrophobicContact CE2-CG2 4.38Å; F44-T109 HydrophobicContact CZ-CG2 3.57Å; F44-A110 HydrophobicContact CE1-CB 4.18Å; F44-M113 HydrophobicContact CE2-SD 3.91Å; F44-M113 HydrophobicContact CZ-SD 3.62Å
45	F	98.3	Very high	98.3	Very high	47 Å²	47	49.8 Å²	49.8	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-52.3	-57.4	175.5	159.4	-134.3	0	0	0	111.1	Y41 M42 Y47 F48 D49 A59 F62 R63	Y41-F45 PolarHBondContact O-N 3.39Å; M42-F45 PolarHBondContact O-N 3.29Å; F45-Y47 VanDerWaalsContact C-N 3.25Å; F45-Y47 PolarHBondContact O-N 2.81Å; F45-F48 PolarHBondContact O-N 3.37Å; F45-F48 VanDerWaalsContact O-N 3.16Å; F45-D49 HydrophobicContact CD2-CB 4.35Å; F45-D49 HydrophobicContact CE2-CB 3.94Å; F45-D49 PolarHBondContact O-N 2.89Å; F45-D49 VanDerWaalsContact O-N 3.07Å; F45-A59 HydrophobicContact CD2-CB 3.89Å; F45-A59 WeakPolarHBondContact CD2-O 3.46Å; F45-A59 HydrophobicContact CE2-CB 4.22Å; F45-F62 HydrophobicContact CB-CB 4.33Å; F45-R63 HydrophobicContact CB-CB 4.17Å; F45-R63 HydrophobicContact CD1-CB 4.04Å; F45-R63 HydrophobicContact CD1-CG 3.87Å; F45-R63 HydrophobicContact CD2-CB 3.91Å; F45-R63 HydrophobicContact CD2-CG 4.41Å; F45-R63 HydrophobicContact CE1-CB 4.47Å; F45-R63 HydrophobicContact CE1-CG 3.97Å; F45-R63 HydrophobicContact CE2-CB 4.37Å; F45-R63 HydrophobicContact CG-CB 3.75Å; F45-R63 HydrophobicContact CG-CG 4.11Å; F45-R63 HydrophobicContact CZ-CG 4.32Å
46	T	98.6	Very high	98.3	Very high	76 Å²	76	50.8 Å²	50.8	47%	0.466	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-28.7	-174.7	57.1	0	0	0	0	113.3	M42 A43 F44 R50	M42-T46 WeakPolarHBondContact O-CG2 3.28Å; M42-T46 PolarHBondContact O-N 2.88Å; M42-T46 PolarHBondContact O-OG1 3Å; A43-T46 PolarHBondContact O-N 3.32Å; A43-T46 PolarHBondContact O-OG1 3.48Å; A43-T46 VanDerWaalsContact O-OG1 3.06Å; F44-T46 PolarHBondContact O-N 3.49Å; T46-R50 WeakPolarHBondContact O-CG 3.27Å
47	Y	98.8	Very high	98.2	Very high	23 Å²	23	51.5 Å²	51.5	9%	0.09	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-49.3	172.8	170.1	-93.4	0	0	0	111.6	A43 F44 F45 D49 R50 V53 V98 E99 F100	A43-Y47 WeakPolarHBondContact O-CB 3.39Å; A43-Y47 PolarHBondContact O-N 3.43Å; F44-Y47 PolarHBondContact O-N 2.98Å; F45-Y47 VanDerWaalsContact C-N 3.25Å; F45-Y47 PolarHBondContact O-N 2.81Å; Y47-D49 VanDerWaalsContact C-N 3.27Å; Y47-D49 PolarHBondContact O-N 3.42Å; Y47-R50 WeakPolarHBondContact O-CD 3.37Å; Y47-R50 WeakPolarHBondContact O-CG 3.4Å; Y47-R50 PolarHBondContact O-N 3.18Å; Y47-V53 HydrophobicContact CD1-CG1 4.22Å; Y47-V53 HydrophobicContact CD2-CG2 4.42Å; Y47-V53 HydrophobicContact CE1-CG1 3.61Å; Y47-V53 HydrophobicContact CE1-CG2 4.18Å; Y47-V53 HydrophobicContact CE2-CG2 3.83Å; Y47-V98 WeakPolarHBondContact CD2-O 3.33Å; Y47-E99 HydrophobicContact CE2-CB 4.46Å; Y47-E99 WeakPolarHBondContact CE2-OE2 3.31Å; Y47-F100 HydrophobicContact CD1-CB 4.33Å; Y47-F100 AromaticContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CE2 4.15Å; Y47-F100 HydrophobicContact CD1-CG 4.28Å; Y47-F100 HydrophobicContact CD2-CD2 4.3Å; Y47-F100 HydrophobicContact CE1-CB 3.73Å; Y47-F100 AromaticContact CE1-CD2 3.7Å; Y47-F100 HydrophobicContact CE1-CD2 3.7Å; Y47-F100 HydrophobicContact CE1-CG 4.18Å; Y47-F100 AromaticContact CG-CD2 3.71Å; Y47-F100 HydrophobicContact CG-CD2 3.71Å; Y47-F100 HydrophobicContact CG-CE2 4.24Å; Y47-F100 PolarHBondContact OH-O 3.1Å
48	F	98.4	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-72	-19	-177	-74.8	-59.9	0	0	0	114.3	F44 F45 R50 V53 F55 A58 A59 F62 F100 L103 A106	F44-F48 WeakPolarHBondContact O-CD2 3.22Å; F44-F48 PolarHBondContact O-N 2.81Å; F44-F48 VanDerWaalsContact O-N 3.1Å; F45-F48 PolarHBondContact O-N 3.37Å; F45-F48 VanDerWaalsContact O-N 3.16Å; F48-R50 VanDerWaalsContact C-N 3.34Å; F48-V53 HydrophobicContact CD1-CG1 3.83Å; F48-V53 HydrophobicContact CE1-CG1 4.35Å; F48-F55 HydrophobicContact CB-CB 4.37Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 AromaticContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CG 4.23Å; F48-F55 AromaticContact CE1-CD2 3.96Å; F48-F55 HydrophobicContact CE1-CD2 3.96Å; F48-F55 HydrophobicContact CG-CB 4.4Å; F48-F55 PolarHBondContact O-N 3.29Å; F48-F55 VanDerWaalsContact O-N 3.08Å; F48-A58 HydrophobicContact CB-CB 4.28Å; F48-A58 HydrophobicContact CD1-CB 4.29Å; F48-A58 HydrophobicContact CD2-CB 4.13Å; F48-A58 HydrophobicContact CG-CB 3.98Å; F48-A59 HydrophobicContact CB-CB 3.96Å; F48-F62 AromaticContact CD2-CD2 3.72Å; F48-F62 HydrophobicContact CD2-CD2 3.72Å; F48-F62 AromaticContact CD2-CE2 3.94Å; F48-F62 HydrophobicContact CD2-CE2 3.94Å; F48-F62 AromaticContact CE2-CD2 3.86Å; F48-F62 HydrophobicContact CE2-CD2 3.86Å; F48-F62 AromaticContact CE2-CE2 3.6Å; F48-F62 HydrophobicContact CE2-CE2 3.6Å; F48-F100 HydrophobicContact CE2-CD2 4.47Å; F48-F100 HydrophobicContact CZ-CD2 4.49Å; F48-L103 HydrophobicContact CD1-CD2 4.27Å; F48-L103 HydrophobicContact CE1-CD2 3.55Å; F48-L103 HydrophobicContact CE1-CG 4.46Å; F48-L103 HydrophobicContact CE2-CD2 4.49Å; F48-L103 HydrophobicContact CZ-CD2 3.7Å; F48-A106 HydrophobicContact CE2-CB 3.65Å; F48-A106 HydrophobicContact CZ-CB 3.46Å; F48-A106 VanDerWaalsContact CZ-CB 3.46Å
49	D	98.4	Very high	98.2	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.9	176.8	-163	52.4	0	0	0	113.9	F45 Y47 A59	F45-D49 HydrophobicContact CD2-CB 4.35Å; F45-D49 HydrophobicContact CE2-CB 3.94Å; F45-D49 PolarHBondContact O-N 2.89Å; F45-D49 VanDerWaalsContact O-N 3.07Å; Y47-D49 VanDerWaalsContact C-N 3.27Å; Y47-D49 PolarHBondContact O-N 3.42Å; D49-A59 HydrophobicContact CB-CB 4.07Å
50	R	98.6	Very high	98.2	Very high	86 Å²	86	48.8 Å²	48.8	33%	0.325	26%	0.258	S	S	.	.	S	Bend	trans	-68.1	147.6	178.9	-65.6	162.8	54	167.2	-4.6	112	T46 Y47 F48 D52 V53 S54 E99	T46-R50 WeakPolarHBondContact O-CG 3.27Å; Y47-R50 WeakPolarHBondContact O-CD 3.37Å; Y47-R50 WeakPolarHBondContact O-CG 3.4Å; Y47-R50 PolarHBondContact O-N 3.18Å; F48-R50 VanDerWaalsContact C-N 3.34Å; R50-D52 VanDerWaalsContact C-N 3.28Å; R50-D52 WeakPolarHBondContact CB-OD1 3.31Å; R50-D52 IonicContact CZ-OD1 3Å; R50-D52 IonicContact CZ-OD2 3.95Å; R50-D52 IonicContact NE-OD1 2.71Å; R50-D52 PolarHBondContact NE-OD1 3.13Å; R50-D52 IonicContact NE-OD2 2.78Å; R50-D52 IonicContact NH2-OD1 3.64Å; R50-D52 PolarHBondContact NH2-OD1 3.36Å; R50-D52 IonicContact NH2-OD2 3.32Å; R50-D52 PolarHBondContact NH2-OD2 2.94Å; R50-D52 PolarHBondContact O-N 2.84Å; R50-V53 HydrophobicContact CB-CB 4.45Å; R50-V53 HydrophobicContact CB-CG2 4.31Å; R50-V53 PolarHBondContact O-N 3.24Å; R50-S54 WeakPolarHBondContact O-CA 3.48Å; R50-S54 PolarHBondContact O-N 3.5Å; R50-E99 IonicContact CZ-OE1 3.77Å; R50-E99 IonicContact NH1-OE1 3.25Å; R50-E99 PolarHBondContact NH1-OE1 3.25Å; R50-E99 IonicContact NH1-OE2 3.98Å; R50-E99 PolarHBondContact NH1-OE2 2.95Å
51	D	98	Very high	98.2	Very high	156 Å²	156	48.8 Å²	48.8	83%	0.834	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.9	179.1	68.1	-79.2	0	0	0	113.5	V53	D51-V53 VanDerWaalsContact C-N 3.29Å; D51-V53 PolarHBondContact O-N 2.97Å
52	D	97.4	Very high	98.2	Very high	103 Å²	103	48.8 Å²	48.8	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-6	178.8	68.1	-28.5	0	0	0	113.9	R50	R50-D52 VanDerWaalsContact C-N 3.28Å; R50-D52 WeakPolarHBondContact CB-OD1 3.31Å; R50-D52 IonicContact CZ-OD1 3Å; R50-D52 IonicContact CZ-OD2 3.95Å; R50-D52 IonicContact NE-OD1 2.71Å; R50-D52 PolarHBondContact NE-OD1 3.13Å; R50-D52 IonicContact NE-OD2 2.78Å; R50-D52 IonicContact NH2-OD1 3.64Å; R50-D52 PolarHBondContact NH2-OD1 3.36Å; R50-D52 IonicContact NH2-OD2 3.32Å; R50-D52 PolarHBondContact NH2-OD2 2.94Å; R50-D52 PolarHBondContact O-N 2.84Å
53	V	97	Very high	98.2	Very high	28 Å²	28	48.8 Å²	48.8	17%	0.17	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-55.5	175.8	-178.9	0	0	0	0	110.6	Y47 F48 R50 D51 F55	Y47-V53 HydrophobicContact CD1-CG1 4.22Å; Y47-V53 HydrophobicContact CD2-CG2 4.42Å; Y47-V53 HydrophobicContact CE1-CG1 3.61Å; Y47-V53 HydrophobicContact CE1-CG2 4.18Å; Y47-V53 HydrophobicContact CE2-CG2 3.83Å; F48-V53 HydrophobicContact CD1-CG1 3.83Å; F48-V53 HydrophobicContact CE1-CG1 4.35Å; R50-V53 HydrophobicContact CB-CB 4.45Å; R50-V53 HydrophobicContact CB-CG2 4.31Å; R50-V53 PolarHBondContact O-N 3.24Å; D51-V53 VanDerWaalsContact C-N 3.29Å; D51-V53 PolarHBondContact O-N 2.97Å; V53-F55 HydrophobicContact CG1-CD2 3.86Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å
54	S	96.4	Very high	98.2	Very high	74 Å²	74	51.9 Å²	51.9	52%	0.517	26%	0.263	S	S	.	.			trans	54	62.1	169.7	178.5	0	0	0	0	115.5	R50 P56	R50-S54 WeakPolarHBondContact O-CA 3.48Å; R50-S54 PolarHBondContact O-N 3.5Å; S54-P56 WeakPolarHBondContact O-CD 3.45Å
55	F	98	Very high	98.2	Very high	35 Å²	35	52.2 Å²	52.2	15%	0.154	27%	0.266	C	S	.	.			trans	-115.1	77.9	166.5	-71.4	-70.5	0	0	0	110.2	F48 V53 K57 A58 A59 L103 Q171 D175	F48-F55 HydrophobicContact CB-CB 4.37Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 AromaticContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CG 4.23Å; F48-F55 AromaticContact CE1-CD2 3.96Å; F48-F55 HydrophobicContact CE1-CD2 3.96Å; F48-F55 HydrophobicContact CG-CB 4.4Å; F48-F55 PolarHBondContact O-N 3.29Å; F48-F55 VanDerWaalsContact O-N 3.08Å; V53-F55 HydrophobicContact CG1-CD2 3.86Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å; F55-K57 VanDerWaalsContact C-N 3.29Å; F55-K57 PolarHBondContact O-N 2.84Å; F55-A58 HydrophobicContact CB-CB 3.83Å; F55-A58 WeakPolarHBondContact O-CB 3.27Å; F55-A58 PolarHBondContact O-N 3.41Å; F55-A58 VanDerWaalsContact O-N 3.17Å; F55-A59 PolarHBondContact O-N 2.96Å; F55-L103 HydrophobicContact CD1-CD1 4.01Å; F55-L103 HydrophobicContact CD1-CG 4.5Å; F55-L103 HydrophobicContact CD2-CD2 4.38Å; F55-L103 HydrophobicContact CD2-CG 4.4Å; F55-L103 HydrophobicContact CE1-CD1 3.9Å; F55-L103 HydrophobicContact CE1-CG 4.41Å; F55-L103 HydrophobicContact CE2-CG 4.34Å; F55-L103 HydrophobicContact CG-CD1 4.43Å; F55-L103 HydrophobicContact CG-CD2 4.32Å; F55-L103 HydrophobicContact CG-CG 4.48Å; F55-L103 HydrophobicContact CZ-CD1 4.26Å; F55-L103 HydrophobicContact CZ-CG 4.33Å; F55-Q171 HydrophobicContact CE1-CB 4.16Å; F55-Q171 HydrophobicContact CZ-CB 4.12Å; F55-D175 WeakPolarHBondContact CA-OD1 3.39Å; F55-D175 WeakPolarHBondContact CB-OD1 3.41Å; F55-D175 HydrophobicContact CD1-CB 3.66Å; F55-D175 HydrophobicContact CE1-CB 4.35Å
56	P	97.5	Very high	98.2	Very high	59 Å²	59	50.7 Å²	50.7	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-24.6	-167.6	27.1	-36.8	0	0	0	114	S54 E60	S54-P56 WeakPolarHBondContact O-CD 3.45Å; P56-E60 PolarHBondContact O-N 3.11Å; P56-E60 VanDerWaalsContact O-N 3.11Å
57	K	98.4	Very high	98.2	Very high	52 Å²	52	51.4 Å²	51.4	23%	0.226	26%	0.259	C	S	.	.	H	α-helix	trans	-78.8	-37.6	175.4	-62.5	-71	-166.8	172.9	0	110.6	F55 A59 E60 F61 D175 L179 E181	F55-K57 VanDerWaalsContact C-N 3.29Å; F55-K57 PolarHBondContact O-N 2.84Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-E60 PolarHBondContact O-N 2.89Å; K57-F61 WeakPolarHBondContact O-CB 3.29Å; K57-F61 PolarHBondContact O-N 2.99Å; K57-D175 WeakPolarHBondContact CA-OD1 3.45Å; K57-D175 WeakPolarHBondContact CB-O 3.31Å; K57-D175 WeakPolarHBondContact CB-OD1 3.35Å; K57-D175 WeakPolarHBondContact CG-O 3.21Å; K57-D175 PolarHBondContact N-OD1 3.41Å; K57-L179 HydrophobicContact CB-CB 3.96Å; K57-E181 HydrophobicContact CD-CG 4.2Å; K57-E181 IonicContact NZ-OE1 3.32Å; K57-E181 PolarHBondContact NZ-OE1 3.03Å
58	A	98.5	Very high	98.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-42.5	169.1	0	0	0	0	0	112.1	F48 F55 F61 F62 L103 D175 L179	F48-A58 HydrophobicContact CB-CB 4.28Å; F48-A58 HydrophobicContact CD1-CB 4.29Å; F48-A58 HydrophobicContact CD2-CB 4.13Å; F48-A58 HydrophobicContact CG-CB 3.98Å; F55-A58 HydrophobicContact CB-CB 3.83Å; F55-A58 WeakPolarHBondContact O-CB 3.27Å; F55-A58 PolarHBondContact O-N 3.41Å; F55-A58 VanDerWaalsContact O-N 3.17Å; A58-F61 PolarHBondContact O-N 3.17Å; A58-F62 WeakPolarHBondContact O-CD2 3.21Å; A58-F62 PolarHBondContact O-N 3.48Å; A58-L103 HydrophobicContact CB-CD2 3.86Å; A58-D175 PolarHBondContact N-OD1 3.46Å; A58-L179 HydrophobicContact CB-CD1 3.62Å
59	A	98.5	Very high	98.2	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-55.6	-53.7	174.5	0	0	0	0	0	111.1	F45 F48 D49 F55 K57 F61 F62 R63	F45-A59 HydrophobicContact CD2-CB 3.89Å; F45-A59 WeakPolarHBondContact CD2-O 3.46Å; F45-A59 HydrophobicContact CE2-CB 4.22Å; F48-A59 HydrophobicContact CB-CB 3.96Å; D49-A59 HydrophobicContact CB-CB 4.07Å; F55-A59 PolarHBondContact O-N 2.96Å; K57-A59 VanDerWaalsContact C-N 3.34Å; A59-F61 PolarHBondContact O-N 3.22Å; A59-F62 PolarHBondContact O-N 3.39Å; A59-R63 WeakPolarHBondContact O-CB 3.48Å; A59-R63 PolarHBondContact O-N 3Å
60	E	98.4	Very high	98.2	Very high	50 Å²	50	56.8 Å²	56.8	23%	0.234	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-38	179.5	-177.1	58.5	-162.1	0	0	112.7	P56 K57 R63 K64	P56-E60 PolarHBondContact O-N 3.11Å; P56-E60 VanDerWaalsContact O-N 3.11Å; K57-E60 PolarHBondContact O-N 2.89Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.89Å; E60-R63 IonicContact OE1-CZ 3.91Å; E60-R63 IonicContact OE1-NE 2.66Å; E60-R63 PolarHBondContact OE1-NE 3.4Å; E60-R63 IonicContact OE1-NH2 2.79Å; E60-R63 PolarHBondContact OE1-NH2 2.95Å; E60-R63 IonicContact OE2-CZ 3.66Å; E60-R63 IonicContact OE2-NE 3.11Å; E60-R63 PolarHBondContact OE2-NE 3.07Å; E60-R63 IonicContact OE2-NH2 3.28Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.06Å; E60-K64 WeakPolarHBondContact OE1-CE 3.5Å; E60-K64 IonicContact OE1-NZ 3.13Å
61	F	98.6	Very high	98.2	Very high	28 Å²	28	57.9 Å²	57.9	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-52.1	175.5	176.1	-93.5	0	0	0	111.4	K57 A58 A59 R63 K64 A65 F155 Y158 L179	K57-F61 WeakPolarHBondContact O-CB 3.29Å; K57-F61 PolarHBondContact O-N 2.99Å; A58-F61 PolarHBondContact O-N 3.17Å; A59-F61 PolarHBondContact O-N 3.22Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.87Å; F61-K64 WeakPolarHBondContact O-CB 3.43Å; F61-K64 PolarHBondContact O-N 3.01Å; F61-K64 VanDerWaalsContact O-N 3.15Å; F61-A65 PolarHBondContact O-N 3.08Å; F61-F155 AromaticContact CE1-CE1 3.7Å; F61-F155 HydrophobicContact CE1-CE1 3.7Å; F61-F155 AromaticContact CE1-CZ 3.73Å; F61-F155 HydrophobicContact CE1-CZ 3.73Å; F61-F155 HydrophobicContact CZ-CE1 4.07Å; F61-F155 AromaticContact CZ-CZ 3.93Å; F61-F155 HydrophobicContact CZ-CZ 3.93Å; F61-Y158 HydrophobicContact CE2-CE2 4.13Å; F61-Y158 AromaticContact CZ-CE2 3.92Å; F61-Y158 HydrophobicContact CZ-CE2 3.92Å; F61-L179 HydrophobicContact CD2-CD2 4.38Å; F61-L179 HydrophobicContact CG-CD2 4.3Å
62	F	98.4	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-24.4	178.6	-70.2	-60.7	0	0	0	113.1	Y41 F44 F45 F48 A58 A59 K64 S66 A106 M107 A110 F155	Y41-F62 AromaticContact CD1-CD1 3.52Å; Y41-F62 HydrophobicContact CD1-CD1 3.52Å; Y41-F62 HydrophobicContact CD1-CE1 4.08Å; Y41-F62 HydrophobicContact CD1-CG 4.46Å; Y41-F62 AromaticContact CE1-CD1 3.7Å; Y41-F62 HydrophobicContact CE1-CD1 3.7Å; Y41-F62 AromaticContact CE1-CE1 3.81Å; Y41-F62 HydrophobicContact CE1-CE1 3.81Å; F44-F62 HydrophobicContact CB-CB 3.76Å; F44-F62 HydrophobicContact CB-CD1 4.09Å; F44-F62 HydrophobicContact CB-CD2 3.93Å; F44-F62 HydrophobicContact CB-CG 3.66Å; F44-F62 AromaticContact CD1-CD1 3.85Å; F44-F62 HydrophobicContact CD1-CD1 3.85Å; F44-F62 HydrophobicContact CD1-CD2 4.21Å; F44-F62 AromaticContact CD1-CE1 3.67Å; F44-F62 HydrophobicContact CD1-CE1 3.67Å; F44-F62 HydrophobicContact CD1-CE2 4.06Å; F44-F62 HydrophobicContact CD1-CG 4.12Å; F44-F62 AromaticContact CD1-CZ 3.79Å; F44-F62 HydrophobicContact CD1-CZ 3.79Å; F44-F62 HydrophobicContact CE1-CE1 4.22Å; F44-F62 HydrophobicContact CE1-CZ 4.38Å; F44-F62 HydrophobicContact CG-CD1 4.33Å; F44-F62 HydrophobicContact CG-CG 4.35Å; F45-F62 HydrophobicContact CB-CB 4.33Å; F48-F62 AromaticContact CD2-CD2 3.72Å; F48-F62 HydrophobicContact CD2-CD2 3.72Å; F48-F62 AromaticContact CD2-CE2 3.94Å; F48-F62 HydrophobicContact CD2-CE2 3.94Å; F48-F62 AromaticContact CE2-CD2 3.86Å; F48-F62 HydrophobicContact CE2-CD2 3.86Å; F48-F62 AromaticContact CE2-CE2 3.6Å; F48-F62 HydrophobicContact CE2-CE2 3.6Å; A58-F62 WeakPolarHBondContact O-CD2 3.21Å; A58-F62 PolarHBondContact O-N 3.48Å; A59-F62 PolarHBondContact O-N 3.39Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-S66 WeakPolarHBondContact O-CB 3.49Å; F62-S66 PolarHBondContact O-N 2.98Å; F62-A106 HydrophobicContact CE2-CB 4.46Å; F62-A106 HydrophobicContact CZ-CB 4.46Å; F62-M107 HydrophobicContact CE2-CE 3.92Å; F62-M107 HydrophobicContact CZ-CE 3.71Å; F62-M107 HydrophobicContact CZ-SD 4.13Å; F62-A110 HydrophobicContact CE1-CB 4.12Å; F62-F155 AromaticContact CE1-CE1 3.96Å; F62-F155 HydrophobicContact CE1-CE1 3.96Å; F62-F155 HydrophobicContact CE1-CZ 4.24Å; F62-F155 HydrophobicContact CZ-CE1 4.42Å
63	R	98.7	Very high	98.3	Very high	88 Å²	88	46.4 Å²	46.4	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-43.7	169	-167.4	-176.3	77.2	85.5	8	110.2	F45 A59 E60 F61 S66 H67	F45-R63 HydrophobicContact CB-CB 4.17Å; F45-R63 HydrophobicContact CD1-CB 4.04Å; F45-R63 HydrophobicContact CD1-CG 3.87Å; F45-R63 HydrophobicContact CD2-CB 3.91Å; F45-R63 HydrophobicContact CD2-CG 4.41Å; F45-R63 HydrophobicContact CE1-CB 4.47Å; F45-R63 HydrophobicContact CE1-CG 3.97Å; F45-R63 HydrophobicContact CE2-CB 4.37Å; F45-R63 HydrophobicContact CG-CB 3.75Å; F45-R63 HydrophobicContact CG-CG 4.11Å; F45-R63 HydrophobicContact CZ-CG 4.32Å; A59-R63 WeakPolarHBondContact O-CB 3.48Å; A59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.89Å; E60-R63 IonicContact OE1-CZ 3.91Å; E60-R63 IonicContact OE1-NE 2.66Å; E60-R63 PolarHBondContact OE1-NE 3.4Å; E60-R63 IonicContact OE1-NH2 2.79Å; E60-R63 PolarHBondContact OE1-NH2 2.95Å; E60-R63 IonicContact OE2-CZ 3.66Å; E60-R63 IonicContact OE2-NE 3.11Å; E60-R63 PolarHBondContact OE2-NE 3.07Å; E60-R63 IonicContact OE2-NH2 3.28Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.87Å; R63-S66 WeakPolarHBondContact O-CB 3.41Å; R63-S66 PolarHBondContact O-N 3.48Å; R63-H67 PolarHBondContact NH1-NE2 3.04Å; R63-H67 PolarHBondContact O-CD2 2.87Å; R63-H67 PolarHBondContact O-N 3.12Å
64	K	98.5	Very high	98.4	Very high	77 Å²	77	48.1 Å²	48.1	34%	0.335	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-45.7	177.1	-70.4	178.7	-173.8	-171.4	0	111.9	E60 F61 F62 S66 H67 E68 E181	E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.06Å; E60-K64 WeakPolarHBondContact OE1-CE 3.5Å; E60-K64 IonicContact OE1-NZ 3.13Å; F61-K64 WeakPolarHBondContact O-CB 3.43Å; F61-K64 PolarHBondContact O-N 3.01Å; F61-K64 VanDerWaalsContact O-N 3.15Å; F62-K64 VanDerWaalsContact C-N 3.32Å; K64-S66 VanDerWaalsContact C-N 3.27Å; K64-S66 PolarHBondContact O-N 3.21Å; K64-H67 PolarHBondContact O-N 2.97Å; K64-E68 WeakPolarHBondContact O-CB 3.44Å; K64-E68 PolarHBondContact O-N 3.23Å; K64-E181 PolarHBondContact NZ-OXT 3.08Å
65	A	98.4	Very high	98.6	Very high	9 Å²	9	47 Å²	47	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-55	-44	173.9	0	0	0	0	0	111.5	Y41 F61 H67 E68 E69	Y41-A65 HydrophobicContact CD1-CB 4.26Å; Y41-A65 HydrophobicContact CD2-CB 3.8Å; Y41-A65 HydrophobicContact CE2-CB 4.06Å; Y41-A65 HydrophobicContact CG-CB 3.91Å; F61-A65 PolarHBondContact O-N 3.08Å; A65-H67 VanDerWaalsContact C-N 3.31Å; A65-H67 PolarHBondContact O-N 2.95Å; A65-E68 WeakPolarHBondContact O-CB 3.45Å; A65-E68 PolarHBondContact O-N 3.45Å; A65-E68 VanDerWaalsContact O-N 3.16Å; A65-E69 WeakPolarHBondContact O-CG 3.42Å; A65-E69 PolarHBondContact O-N 3.49Å
66	S	98.8	Very high	98.6	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-38.9	175	-179.2	0	0	0	0	113.5	A38 F62 R63 K64 R70	A38-S66 WeakPolarHBondContact CB-O 3.43Å; A38-S66 WeakPolarHBondContact O-CB 3.38Å; A38-S66 PolarHBondContact O-OG 2.69Å; F62-S66 WeakPolarHBondContact O-CB 3.49Å; F62-S66 PolarHBondContact O-N 2.98Å; R63-S66 WeakPolarHBondContact O-CB 3.41Å; R63-S66 PolarHBondContact O-N 3.48Å; K64-S66 VanDerWaalsContact C-N 3.27Å; K64-S66 PolarHBondContact O-N 3.21Å; S66-R70 PolarHBondContact O-N 3.22Å
67	H	98.8	Very high	98.7	Very high	91 Å²	91	43.2 Å²	43.2	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-72.5	-38.8	175.6	-67.9	-59.6	0	0	0	112.2	R63 K64 A65 R70 E71	R63-H67 PolarHBondContact NH1-NE2 3.04Å; R63-H67 PolarHBondContact O-CD2 2.87Å; R63-H67 PolarHBondContact O-N 3.12Å; K64-H67 PolarHBondContact O-N 2.97Å; A65-H67 VanDerWaalsContact C-N 3.31Å; A65-H67 PolarHBondContact O-N 2.95Å; H67-R70 WeakPolarHBondContact O-CB 3.42Å; H67-R70 PolarHBondContact O-N 3.24Å; H67-E71 WeakPolarHBondContact O-CG 3.25Å; H67-E71 PolarHBondContact O-N 3.1Å
68	E	98.6	Very high	98.7	Very high	94 Å²	94	46.6 Å²	46.6	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-48.1	178.3	-172.1	161	-145.4	0	0	111.3	K64 A65 R70 E71 H72	K64-E68 WeakPolarHBondContact O-CB 3.44Å; K64-E68 PolarHBondContact O-N 3.23Å; A65-E68 WeakPolarHBondContact O-CB 3.45Å; A65-E68 PolarHBondContact O-N 3.45Å; A65-E68 VanDerWaalsContact O-N 3.16Å; E68-R70 PolarHBondContact O-N 3.24Å; E68-E71 CarbonylContact O-C 3.51Å; E68-E71 WeakPolarHBondContact O-CA 3.48Å; E68-E71 WeakPolarHBondContact O-CB 3.34Å; E68-E71 PolarHBondContact O-N 3.31Å; E68-H72 PolarHBondContact O-N 3.36Å
69	E	98.8	Very high	98.7	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-32.5	175.5	-59.9	-48	158.7	0	0	113	E34 A37 A38 Y41 A65 H72 A73	E34-E69 WeakPolarHBondContact CB-O 3.38Å; A37-E69 HydrophobicContact CB-CB 4.22Å; A37-E69 HydrophobicContact CB-CG 3.86Å; A38-E69 HydrophobicContact CB-CB 3.86Å; Y41-E69 HydrophobicContact CD2-CG 3.79Å; Y41-E69 HydrophobicContact CE2-CG 3.99Å; A65-E69 WeakPolarHBondContact O-CG 3.42Å; A65-E69 PolarHBondContact O-N 3.49Å; E69-H72 WeakPolarHBondContact O-CB 3.49Å; E69-H72 PolarHBondContact O-N 2.74Å; E69-H72 IonicContact OE2-CE1 2.85Å; E69-H72 IonicContact OE2-CG 3.04Å; E69-H72 IonicContact OE2-ND1 3.54Å; E69-H72 PolarHBondContact OE2-ND1 2.92Å; E69-A73 PolarHBondContact O-N 2.65Å
70	R	98.8	Very high	98.7	Very high	138 Å²	138	47.1 Å²	47.1	52%	0.521	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-40.7	173	-178.9	176.9	167.1	167.8	-1.8	111.4	A38 S66 H67 E68 H72 A73 E74	A38-R70 HydrophobicContact CB-CB 4.18Å; S66-R70 PolarHBondContact O-N 3.22Å; H67-R70 WeakPolarHBondContact O-CB 3.42Å; H67-R70 PolarHBondContact O-N 3.24Å; E68-R70 PolarHBondContact O-N 3.24Å; R70-H72 VanDerWaalsContact C-N 3.32Å; R70-A73 WeakPolarHBondContact O-CB 3.43Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-E74 IonicContact CZ-OE1 3.52Å; R70-E74 IonicContact NE-OE1 2.73Å; R70-E74 PolarHBondContact NE-OE1 3.3Å; R70-E74 IonicContact NH2-OE1 2.66Å; R70-E74 WeakPolarHBondContact O-CG 3.48Å; R70-E74 PolarHBondContact O-N 2.83Å
71	E	98.8	Very high	98.7	Very high	109 Å²	109	49 Å²	49	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-36.8	174	-70.8	-67.2	159.5	0	0	111.5	H67 E68 A73 E74 N75	H67-E71 WeakPolarHBondContact O-CG 3.25Å; H67-E71 PolarHBondContact O-N 3.1Å; E68-E71 CarbonylContact O-C 3.51Å; E68-E71 WeakPolarHBondContact O-CA 3.48Å; E68-E71 WeakPolarHBondContact O-CB 3.34Å; E68-E71 PolarHBondContact O-N 3.31Å; E71-A73 PolarHBondContact O-N 3.36Å; E71-E74 PolarHBondContact O-N 3.02Å; E71-N75 WeakPolarHBondContact O-CB 3.47Å; E71-N75 PolarHBondContact O-N 3.19Å
72	H	98.8	Very high	98.7	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-48.5	171.4	-65.5	162.4	0	0	0	111.8	E34 E68 E69 R70 E74 N75 L76 Y144 E147	E34-H72 HydrophobicContact CB-CB 4.27Å; E34-H72 HydrophobicContact CG-CB 3.91Å; E68-H72 PolarHBondContact O-N 3.36Å; E69-H72 WeakPolarHBondContact O-CB 3.49Å; E69-H72 PolarHBondContact O-N 2.74Å; E69-H72 IonicContact OE2-CE1 2.85Å; E69-H72 IonicContact OE2-CG 3.04Å; E69-H72 IonicContact OE2-ND1 3.54Å; E69-H72 PolarHBondContact OE2-ND1 2.92Å; R70-H72 VanDerWaalsContact C-N 3.32Å; H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 2.92Å; H72-N75 PolarHBondContact O-N 2.88Å; H72-L76 WeakPolarHBondContact O-CG 3.42Å; H72-L76 PolarHBondContact O-N 3.39Å; H72-Y144 HydrophobicContact CB-CE1 4.02Å; H72-Y144 PolarHBondContact O-OH 3.23Å; H72-E147 IonicContact CE1-OE1 2.7Å; H72-E147 IonicContact NE2-OE1 2.59Å; H72-E147 PolarHBondContact NE2-OE1 3.24Å; H72-E147 VanDerWaalsContact NE2-OE1 3.14Å; H72-E147 IonicContact NE2-OE2 2.6Å
73	A	98.9	Very high	98.7	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-43.9	175.3	0	0	0	0	0	112.1	E34 L35 E69 R70 E71 L76 A77	E34-A73 HydrophobicContact CB-CB 3.78Å; L35-A73 HydrophobicContact CD2-CB 3.76Å; L35-A73 HydrophobicContact CG-CB 3.76Å; E69-A73 PolarHBondContact O-N 2.65Å; R70-A73 WeakPolarHBondContact O-CB 3.43Å; R70-A73 PolarHBondContact O-N 3.33Å; E71-A73 PolarHBondContact O-N 3.36Å; A73-L76 PolarHBondContact O-N 2.99Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 3.05Å
74	E	98.9	Very high	98.7	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-37.9	179	-72.2	-172	-161.6	0	0	112.1	R70 E71 H72 A77 K78	R70-E74 IonicContact CZ-OE1 3.52Å; R70-E74 IonicContact NE-OE1 2.73Å; R70-E74 PolarHBondContact NE-OE1 3.3Å; R70-E74 IonicContact NH2-OE1 2.66Å; R70-E74 WeakPolarHBondContact O-CG 3.48Å; R70-E74 PolarHBondContact O-N 2.83Å; E71-E74 PolarHBondContact O-N 3.02Å; H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 2.92Å; E74-A77 PolarHBondContact O-N 3.4Å; E74-K78 WeakPolarHBondContact O-CB 3.49Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.49Å; E74-K78 PolarHBondContact O-N 3Å
75	N	98.9	Very high	98.6	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-44.7	175.9	-171.9	37.7	0	0	0	111.5	E71 H72 A77 K78 Y79 Y144	E71-N75 WeakPolarHBondContact O-CB 3.47Å; E71-N75 PolarHBondContact O-N 3.19Å; H72-N75 PolarHBondContact O-N 2.88Å; N75-A77 VanDerWaalsContact C-N 3.34Å; N75-A77 PolarHBondContact O-N 3.05Å; N75-K78 PolarHBondContact O-N 3.48Å; N75-Y79 WeakPolarHBondContact O-CB 3.43Å; N75-Y79 PolarHBondContact O-N 3.38Å; N75-Y144 WeakPolarHBondContact CB-OH 3.36Å; N75-Y144 PolarHBondContact ND2-OH 3.37Å
76	L	98.9	Very high	98.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-44.3	172.3	-74.9	164.1	0	0	0	111.6	I27 Q30 I31 E34 H72 A73 K78 Y79 Q80 F139 Y144	I27-L76 HydrophobicContact CG2-CB 4.34Å; I27-L76 HydrophobicContact CG2-CD2 4.4Å; Q30-L76 HydrophobicContact CB-CD1 3.93Å; Q30-L76 HydrophobicContact CG-CD1 3.48Å; Q30-L76 VanDerWaalsContact CG-CD1 3.48Å; Q30-L76 HydrophobicContact CG-CD2 4.44Å; I31-L76 HydrophobicContact CD1-CB 4.17Å; I31-L76 HydrophobicContact CG1-CB 3.46Å; I31-L76 VanDerWaalsContact CG1-CB 3.46Å; I31-L76 HydrophobicContact CG1-CD1 4.25Å; I31-L76 HydrophobicContact CG1-CG 4.47Å; E34-L76 HydrophobicContact CG-CD1 3.73Å; H72-L76 WeakPolarHBondContact O-CG 3.42Å; H72-L76 PolarHBondContact O-N 3.39Å; A73-L76 PolarHBondContact O-N 2.99Å; L76-K78 PolarHBondContact O-N 2.99Å; L76-Y79 PolarHBondContact O-N 3.14Å; L76-Q80 WeakPolarHBondContact O-CB 3.34Å; L76-Q80 PolarHBondContact O-N 3.35Å; L76-F139 HydrophobicContact CD2-CE1 4.1Å; L76-Y144 HydrophobicContact CD1-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CE2 4.17Å; L76-Y144 HydrophobicContact CG-CE1 4.2Å; L76-Y144 HydrophobicContact CG-CE2 4.49Å; L76-Y144 WeakPolarHBondContact CG-OH 3.49Å; L76-Y144 PolarHBondContact N-OH 2.95Å
77	A	98.9	Very high	98.6	Very high	13 Å²	13	54.8 Å²	54.8	11%	0.107	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-40.5	178.1	0	0	0	0	0	112.4	I31 A73 E74 N75 N81 V87	I31-A77 HydrophobicContact CD1-CB 4.07Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 3.05Å; E74-A77 PolarHBondContact O-N 3.4Å; N75-A77 VanDerWaalsContact C-N 3.34Å; N75-A77 PolarHBondContact O-N 3.05Å; A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 VanDerWaalsContact O-N 3.15Å; A77-N81 PolarHBondContact O-ND2 3.42Å; A77-V87 HydrophobicContact CB-CG2 3.91Å
78	K	98.9	Very high	98.6	Very high	123 Å²	123	55.3 Å²	55.3	54%	0.535	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-44.4	173.5	-74.5	167.1	-172.1	158.2	0	110.8	E74 N75 L76 N81 K82	E74-K78 WeakPolarHBondContact O-CB 3.49Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.49Å; E74-K78 PolarHBondContact O-N 3Å; N75-K78 PolarHBondContact O-N 3.48Å; L76-K78 PolarHBondContact O-N 2.99Å; K78-N81 PolarHBondContact O-N 3.21Å; K78-K82 WeakPolarHBondContact O-CB 3.46Å; K78-K82 PolarHBondContact O-N 3.23Å
79	Y	98.9	Very high	98.5	Very high	13 Å²	13	58.5 Å²	58.5	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-45	177.3	-174.4	-88.6	0	0	0	112.4	I27 N75 L76 N81 K82 R83 A135 L136 F139	I27-Y79 HydrophobicContact CD1-CD1 4.22Å; I27-Y79 HydrophobicContact CD1-CE1 4.38Å; N75-Y79 WeakPolarHBondContact O-CB 3.43Å; N75-Y79 PolarHBondContact O-N 3.38Å; L76-Y79 PolarHBondContact O-N 3.14Å; Y79-N81 VanDerWaalsContact C-N 3.31Å; Y79-N81 PolarHBondContact O-N 3.15Å; Y79-K82 WeakPolarHBondContact O-CB 3.37Å; Y79-K82 PolarHBondContact O-N 2.96Å; Y79-K82 VanDerWaalsContact O-N 3.1Å; Y79-R83 HydrophobicContact CD1-CG 3.9Å; Y79-R83 HydrophobicContact CE1-CG 3.35Å; Y79-R83 HydrophobicContact CE2-CG 4.33Å; Y79-R83 WeakPolarHBondContact O-CG 3.49Å; Y79-R83 PolarHBondContact O-N 2.88Å; Y79-R83 PolarHBondContact OH-NH1 3.49Å; Y79-A135 PolarHBondContact OH-O 3.16Å; Y79-L136 HydrophobicContact CD1-CD1 4.4Å; Y79-L136 HydrophobicContact CE1-CD1 3.69Å; Y79-L136 VanDerWaalsContact OH-CA 3.31Å; Y79-L136 WeakPolarHBondContact OH-CA 3.49Å; Y79-L136 PolarHBondContact OH-N 2.85Å; Y79-F139 VanDerWaalsContact CB-CZ 3.47Å; Y79-F139 AromaticContact CD1-CD1 3.88Å; Y79-F139 HydrophobicContact CD1-CD1 3.88Å; Y79-F139 AromaticContact CD1-CE1 3.91Å; Y79-F139 HydrophobicContact CD1-CE1 3.91Å; Y79-F139 HydrophobicContact CD1-CG 4.38Å; Y79-F139 HydrophobicContact CD1-CZ 4.44Å; Y79-F139 HydrophobicContact CD2-CB 4.21Å; Y79-F139 AromaticContact CD2-CD1 3.7Å; Y79-F139 HydrophobicContact CD2-CD1 3.7Å; Y79-F139 AromaticContact CD2-CD2 3.3Å; Y79-F139 HydrophobicContact CD2-CD2 3.3Å; Y79-F139 AromaticContact CD2-CE1 3.81Å; Y79-F139 HydrophobicContact CD2-CE1 3.81Å; Y79-F139 AromaticContact CD2-CE2 3.42Å; Y79-F139 HydrophobicContact CD2-CE2 3.42Å; Y79-F139 VanDerWaalsContact CD2-CE2 3.42Å; Y79-F139 AromaticContact CD2-CG 3.45Å; Y79-F139 HydrophobicContact CD2-CG 3.45Å; Y79-F139 VanDerWaalsContact CD2-CG 3.45Å; Y79-F139 AromaticContact CD2-CZ 3.68Å; Y79-F139 HydrophobicContact CD2-CZ 3.68Å; Y79-F139 HydrophobicContact CE1-CD1 4.03Å; Y79-F139 HydrophobicContact CE1-CG 4.32Å; Y79-F139 HydrophobicContact CE2-CB 3.55Å; Y79-F139 AromaticContact CE2-CD1 3.82Å; Y79-F139 HydrophobicContact CE2-CD1 3.82Å; Y79-F139 AromaticContact CE2-CD2 3.5Å; Y79-F139 HydrophobicContact CE2-CD2 3.5Å; Y79-F139 HydrophobicContact CE2-CE1 4.4Å; Y79-F139 HydrophobicContact CE2-CE2 4.12Å; Y79-F139 AromaticContact CE2-CG 3.32Å; Y79-F139 HydrophobicContact CE2-CG 3.32Å; Y79-F139 AromaticContact CG-CD1 3.72Å; Y79-F139 HydrophobicContact CG-CD1 3.72Å; Y79-F139 HydrophobicContact CG-CD2 4.07Å; Y79-F139 AromaticContact CG-CE1 3.52Å; Y79-F139 HydrophobicContact CG-CE1 3.52Å; Y79-F139 AromaticContact CG-CE2 3.88Å; Y79-F139 HydrophobicContact CG-CE2 3.88Å; Y79-F139 AromaticContact CG-CG 3.99Å; Y79-F139 HydrophobicContact CG-CG 3.99Å; Y79-F139 AromaticContact CG-CZ 3.61Å; Y79-F139 HydrophobicContact CG-CZ 3.61Å; Y79-F139 AromaticContact CZ-CD1 3.98Å; Y79-F139 AromaticContact CZ-CG 3.79Å
80	Q	98.7	Very high	98.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-52.2	-49.5	174.5	-177.9	76.1	-16.1	0	0	111.3	F19 E24 I27 L76 R83 G84 G85 R86 V87	F19-Q80 VanDerWaalsContact CZ-OE1 3.3Å; E24-Q80 VanDerWaalsContact CG-NE2 3.27Å; E24-Q80 PolarHBondContact O-NE2 2.73Å; I27-Q80 HydrophobicContact CG2-CB 3.99Å; I27-Q80 HydrophobicContact CG2-CG 4.38Å; L76-Q80 WeakPolarHBondContact O-CB 3.34Å; L76-Q80 PolarHBondContact O-N 3.35Å; Q80-R83 PolarHBondContact O-N 3.3Å; Q80-G84 PolarHBondContact O-N 3.01Å; Q80-G85 WeakPolarHBondContact O-CA 3.43Å; Q80-G85 PolarHBondContact O-N 3.44Å; Q80-R86 PolarHBondContact NE2-O 2.67Å; Q80-R86 VanDerWaalsContact NE2-O 3.17Å; Q80-V87 HydrophobicContact CB-CG2 4.16Å; Q80-V87 HydrophobicContact CG-CG2 3.98Å
81	N	98.4	Very high	98.4	Very high	91 Å²	91	62.4 Å²	62.4	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-40.9	178.1	-73.8	-36.2	0	0	0	111.7	A77 K78 Y79 R83 G84	A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 VanDerWaalsContact O-N 3.15Å; A77-N81 PolarHBondContact O-ND2 3.42Å; K78-N81 PolarHBondContact O-N 3.21Å; Y79-N81 VanDerWaalsContact C-N 3.31Å; Y79-N81 PolarHBondContact O-N 3.15Å; N81-R83 VanDerWaalsContact C-N 3.3Å; N81-R83 PolarHBondContact O-N 3.38Å; N81-G84 PolarHBondContact O-N 2.94Å
82	K	98.5	Very high	98.3	Very high	156 Å²	156	60.7 Å²	60.7	68%	0.678	29%	0.292	S	S	*	.	H	α-helix	trans	-57	-41.7	175.9	177.8	-174.6	176	-175.2	0	111.9	K78 Y79 G84	K78-K82 WeakPolarHBondContact O-CB 3.46Å; K78-K82 PolarHBondContact O-N 3.23Å; Y79-K82 WeakPolarHBondContact O-CB 3.37Å; Y79-K82 PolarHBondContact O-N 2.96Å; Y79-K82 VanDerWaalsContact O-N 3.1Å; K82-G84 PolarHBondContact O-N 3.16Å
83	R	98.2	Very high	98.3	Very high	27 Å²	27	67.6 Å²	67.6	10%	0.102	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.4	177.5	-62.5	-61.6	-58.5	-71.6	-5.8	113.9	R16 Q17 N18 F19 Y79 Q80 N81 D133	R16-R83 WeakPolarHBondContact CA-O 3.08Å; Q17-R83 PolarHBondContact O-NH2 3.36Å; N18-R83 PolarHBondContact O-NH2 3.1Å; F19-R83 HydrophobicContact CB-CB 4.48Å; F19-R83 HydrophobicContact CD1-CB 3.72Å; F19-R83 WeakPolarHBondContact CD1-O 3.37Å; F19-R83 HydrophobicContact CD2-CB 3.97Å; F19-R83 HydrophobicContact CD2-CG 4.39Å; F19-R83 HydrophobicContact CE1-CB 3.83Å; F19-R83 HydrophobicContact CE2-CB 4.08Å; F19-R83 HydrophobicContact CE2-CG 4.39Å; F19-R83 HydrophobicContact CG-CB 3.81Å; F19-R83 HydrophobicContact CZ-CB 4.01Å; Y79-R83 HydrophobicContact CD1-CG 3.9Å; Y79-R83 HydrophobicContact CE1-CG 3.35Å; Y79-R83 HydrophobicContact CE2-CG 4.33Å; Y79-R83 WeakPolarHBondContact O-CG 3.49Å; Y79-R83 PolarHBondContact O-N 2.88Å; Y79-R83 PolarHBondContact OH-NH1 3.49Å; Q80-R83 PolarHBondContact O-N 3.3Å; N81-R83 VanDerWaalsContact C-N 3.3Å; N81-R83 PolarHBondContact O-N 3.38Å; R83-D133 IonicContact CZ-OD1 3.14Å; R83-D133 IonicContact CZ-OD2 2.99Å; R83-D133 VanDerWaalsContact CZ-OD2 3.28Å; R83-D133 IonicContact NH1-OD1 3.56Å; R83-D133 PolarHBondContact NH1-OD1 2.86Å; R83-D133 VanDerWaalsContact NH1-OD1 3.11Å; R83-D133 IonicContact NH1-OD2 3.71Å; R83-D133 PolarHBondContact NH1-OD2 2.93Å; R83-D133 VanDerWaalsContact NH2-CG 3.32Å; R83-D133 IonicContact NH2-OD1 3.61Å; R83-D133 PolarHBondContact NH2-OD1 2.86Å; R83-D133 VanDerWaalsContact NH2-OD1 3.13Å; R83-D133 IonicContact NH2-OD2 3.61Å; R83-D133 PolarHBondContact NH2-OD2 2.99Å
84	G	98	Very high	98.2	Very high	2 Å²	2	72.1 Å²	72.1	2%	0.021	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	10.8	178.3	0	0	0	0	0	115.1	S13 Q80 N81 K82 R86	S13-G84 WeakPolarHBondContact CB-O 3.48Å; S13-G84 WeakPolarHBondContact OG-CA 3.37Å; Q80-G84 PolarHBondContact O-N 3.01Å; N81-G84 PolarHBondContact O-N 2.94Å; K82-G84 PolarHBondContact O-N 3.16Å; G84-R86 PolarHBondContact O-NH1 3.45Å
85	G	97.8	Very high	98.1	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.344	C	S	.	.			trans	-73.8	-176.2	170.2	0	0	0	0	0	113.4	E24 Q80	E24-G85 WeakPolarHBondContact OE1-CA 3.48Å; Q80-G85 WeakPolarHBondContact O-CA 3.43Å; Q80-G85 PolarHBondContact O-N 3.44Å
86	R	97.7	Very high	97.7	Very high	119 Å²	119	74.5 Å²	74.5	45%	0.449	37%	0.373	S	S	.	.			trans	-127.3	129.4	174.9	-61.7	-63.8	177.8	-85.5	-5.6	108.8	E24 N28 Q80 G84	E24-R86 PolarHBondContact OE1-N 2.99Å; N28-R86 PolarHBondContact ND2-O 3.32Å; N28-R86 PolarHBondContact OD1-O 2.85Å; Q80-R86 PolarHBondContact NE2-O 2.67Å; Q80-R86 VanDerWaalsContact NE2-O 3.17Å; G84-R86 PolarHBondContact O-NH1 3.45Å
87	V	98.4	Very high	97.5	Very high	33 Å²	33	77.5 Å²	77.5	20%	0.2	39%	0.386	C	S	.	.			trans	-70	129	171.2	-177.7	0	0	0	0	108.6	N28 I31 A77 Q80 Y89	N28-V87 VanDerWaalsContact OD1-CA 3.26Å; N28-V87 WeakPolarHBondContact OD1-CA 3.43Å; I31-V87 HydrophobicContact CD1-CG1 4.12Å; I31-V87 HydrophobicContact CD1-CG2 4.29Å; A77-V87 HydrophobicContact CB-CG2 3.91Å; Q80-V87 HydrophobicContact CB-CG2 4.16Å; Q80-V87 HydrophobicContact CG-CG2 3.98Å; V87-Y89 HydrophobicContact CG1-CD1 4.27Å; V87-Y89 HydrophobicContact CG1-CD2 4.31Å; V87-Y89 HydrophobicContact CG1-CE1 3.76Å; V87-Y89 HydrophobicContact CG1-CE2 3.79Å; V87-Y89 VanDerWaalsContact CG1-CZ 3.49Å
88	Q	98.2	Very high	97.3	Very high	103 Å²	103	80.5 Å²	80.5	48%	0.481	40%	0.403	S	S	.	.			trans	-126.4	112.1	174.7	-60.7	-176	35.5	0	0	108.3	N28	N28-Q88 PolarHBondContact OD1-N 2.84Å
89	Y	96.9	Very high	97.3	Very high	161 Å²	161	79.5 Å²	79.5	63%	0.631	40%	0.4	S	S	*	.			trans	-80.3	144.4	178.4	-60.7	-73.7	0	0	0	110.7	I31 L35 V87	I31-Y89 HydrophobicContact CG2-CE1 4.22Å; L35-Y89 HydrophobicContact CD1-CD1 3.98Å; L35-Y89 HydrophobicContact CD1-CE1 4.04Å; V87-Y89 HydrophobicContact CG1-CD1 4.27Å; V87-Y89 HydrophobicContact CG1-CD2 4.31Å; V87-Y89 HydrophobicContact CG1-CE1 3.76Å; V87-Y89 HydrophobicContact CG1-CE2 3.79Å; V87-Y89 VanDerWaalsContact CG1-CZ 3.49Å
90	S	97.1	Very high	97.2	Very high	78 Å²	78	79.5 Å²	79.5	55%	0.545	40%	0.401	S	S	.	.			trans	-115.8	175.8	170.8	-58.2	0	0	0	0	109.6	N32 I92	N32-S90 WeakPolarHBondContact OD1-CB 3.48Å; N32-S90 PolarHBondContact OD1-N 3.29Å; N32-S90 PolarHBondContact OD1-O 3.43Å; N32-S90 VanDerWaalsContact OD1-O 3.12Å; S90-I92 PolarHBondContact O-N 3.13Å
91	D	98.2	Very high	97.1	Very high	148 Å²	148	84 Å²	84	79%	0.791	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-64.5	134.8	177.2	-64.1	-24.9	0	0	0	110.9
92	I	98.1	Very high	97	Very high	73 Å²	73	81.9 Å²	81.9	37%	0.374	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-94.8	122.7	166.9	-53.3	174.4	0	0	0	106.9	L35 Q36 Y39 S90	L35-I92 HydrophobicContact CB-CD1 3.75Å; L35-I92 HydrophobicContact CB-CG1 4.39Å; L35-I92 HydrophobicContact CD1-CD1 4.44Å; Q36-I92 HydrophobicContact CB-CG2 4.44Å; Y39-I92 HydrophobicContact CD1-CG2 3.62Å; Y39-I92 HydrophobicContact CE1-CG2 4.49Å; Y39-I92 HydrophobicContact CG-CG2 4.35Å; S90-I92 PolarHBondContact O-N 3.13Å
93	K	97.5	Very high	97	Very high	161 Å²	161	74.5 Å²	74.5	70%	0.7	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-81.6	154.7	-179.3	-64.7	-177.8	-178.3	176	0	110	Q36	Q36-K93 PolarHBondContact NE2-O 2.95Å; Q36-K93 PolarHBondContact OE1-O 3.15Å
94	C	97.7	Very high	97	Very high	99 Å²	99	74.1 Å²	74.1	67%	0.669	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.9	170.2	-61.3	0	0	0	0	110.1	T96	C94-T96 PolarHBondContact O-N 3.32Å
95	P	97.1	Very high	97	Very high	19 Å²	19	75.6 Å²	75.6	12%	0.123	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-54.3	132.6	173.6	-27.6	36.2	0	0	0	110.9	Y39 D40 A43 V98	Y39-P95 HydrophobicContact CD1-CG 4.1Å; Y39-P95 HydrophobicContact CD2-CG 4.1Å; Y39-P95 HydrophobicContact CE1-CG 4.34Å; Y39-P95 HydrophobicContact CE2-CG 4.32Å; Y39-P95 HydrophobicContact CG-CG 4.02Å; D40-P95 VanDerWaalsContact OD1-CA 3.29Å; D40-P95 WeakPolarHBondContact OD1-CA 3.44Å; D40-P95 VanDerWaalsContact OD1-CB 3.29Å; D40-P95 WeakPolarHBondContact OD1-CB 3.4Å; D40-P95 WeakPolarHBondContact OD1-CG 3.38Å; A43-P95 HydrophobicContact CB-CB 3.9Å; A43-P95 HydrophobicContact CB-CG 4.01Å; P95-V98 HydrophobicContact CB-CG1 4.01Å
96	T	90	Very high	97	Very high	145 Å²	145	75.6 Å²	75.6	89%	0.89	40%	0.397	S	S	*	.	S	Bend	trans	-83	-25.5	-178.1	55.4	0	0	0	0	112.3	C94	C94-T96 PolarHBondContact O-N 3.32Å
97	K	93.4	Very high	97	Very high	64 Å²	64	70 Å²	70	28%	0.278	38%	0.375	S	S	.	.			trans	-113.3	100.9	178.6	-171.8	77.6	171.1	-178.2	0	109.3	E99 F100 D105 T109	K97-E99 WeakPolarHBondContact CE-O 3.43Å; K97-F100 HydrophobicContact CD-CE1 4.3Å; K97-F100 HydrophobicContact CG-CD1 4.07Å; K97-F100 HydrophobicContact CG-CE1 3.43Å; K97-F100 VanDerWaalsContact CG-CE1 3.43Å; K97-F100 HydrophobicContact CG-CZ 3.72Å; K97-D105 WeakPolarHBondContact CE-OD1 3.49Å; K97-D105 WeakPolarHBondContact CE-OD2 3.41Å; K97-D105 IonicContact NZ-OD1 3.79Å; K97-D105 PolarHBondContact NZ-OD1 3.06Å; K97-D105 IonicContact NZ-OD2 2.7Å; K97-D105 PolarHBondContact NZ-OD2 2.72Å; K97-T109 HydrophobicContact CB-CG2 4.38Å; K97-T109 HydrophobicContact CG-CG2 4.13Å
98	V	96	Very high	97.1	Very high	75 Å²	75	71.4 Å²	71.4	46%	0.455	38%	0.382	S	S	.	.			trans	-118.3	-5.4	-179.9	-59.8	0	0	0	0	113.3	A43 Y47 P95	A43-V98 HydrophobicContact CB-CG1 4.04Å; Y47-V98 WeakPolarHBondContact CD2-O 3.33Å; P95-V98 HydrophobicContact CB-CG1 4.01Å
99	E	97.5	Very high	97.1	Very high	103 Å²	103	67.9 Å²	67.9	48%	0.481	37%	0.368	S	S	.	.			trans	-131.8	138.2	177	-64.1	-74.3	165.9	0	0	107.8	Y47 R50 K97	Y47-E99 HydrophobicContact CE2-CB 4.46Å; Y47-E99 WeakPolarHBondContact CE2-OE2 3.31Å; R50-E99 IonicContact CZ-OE1 3.77Å; R50-E99 IonicContact NH1-OE1 3.25Å; R50-E99 PolarHBondContact NH1-OE1 3.25Å; R50-E99 IonicContact NH1-OE2 3.98Å; R50-E99 PolarHBondContact NH1-OE2 2.95Å; K97-E99 WeakPolarHBondContact CE-O 3.43Å
100	F	97.8	Very high	97.2	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	34%	0.338	C	S	.	.			trans	-120.8	150.4	180	-58.2	-90.2	0	0	0	110.2	F44 Y47 F48 K97 D105 A106 T109	F44-F100 HydrophobicContact CB-CE2 4.49Å; F44-F100 HydrophobicContact CB-CZ 4.47Å; F44-F100 HydrophobicContact CD1-CE1 4.11Å; F44-F100 HydrophobicContact CD1-CE2 4.36Å; F44-F100 AromaticContact CD1-CZ 3.68Å; F44-F100 HydrophobicContact CD1-CZ 3.68Å; F44-F100 HydrophobicContact CD2-CE1 4.41Å; F44-F100 HydrophobicContact CD2-CE2 4.12Å; F44-F100 AromaticContact CD2-CZ 3.45Å; F44-F100 HydrophobicContact CD2-CZ 3.45Å; F44-F100 VanDerWaalsContact CD2-CZ 3.45Å; F44-F100 AromaticContact CE1-CE1 3.77Å; F44-F100 HydrophobicContact CE1-CE1 3.77Å; F44-F100 AromaticContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE2-CE1 4.13Å; F44-F100 AromaticContact CE2-CZ 3.52Å; F44-F100 HydrophobicContact CE2-CZ 3.52Å; F44-F100 HydrophobicContact CG-CE1 4.43Å; F44-F100 HydrophobicContact CG-CE2 4.04Å; F44-F100 AromaticContact CG-CZ 3.57Å; F44-F100 HydrophobicContact CG-CZ 3.57Å; F44-F100 AromaticContact CZ-CE1 3.81Å; F44-F100 HydrophobicContact CZ-CE1 3.81Å; F44-F100 AromaticContact CZ-CZ 3.65Å; F44-F100 HydrophobicContact CZ-CZ 3.65Å; Y47-F100 HydrophobicContact CD1-CB 4.33Å; Y47-F100 AromaticContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CE2 4.15Å; Y47-F100 HydrophobicContact CD1-CG 4.28Å; Y47-F100 HydrophobicContact CD2-CD2 4.3Å; Y47-F100 HydrophobicContact CE1-CB 3.73Å; Y47-F100 AromaticContact CE1-CD2 3.7Å; Y47-F100 HydrophobicContact CE1-CD2 3.7Å; Y47-F100 HydrophobicContact CE1-CG 4.18Å; Y47-F100 AromaticContact CG-CD2 3.71Å; Y47-F100 HydrophobicContact CG-CD2 3.71Å; Y47-F100 HydrophobicContact CG-CE2 4.24Å; Y47-F100 PolarHBondContact OH-O 3.1Å; F48-F100 HydrophobicContact CE2-CD2 4.47Å; F48-F100 HydrophobicContact CZ-CD2 4.49Å; K97-F100 HydrophobicContact CD-CE1 4.3Å; K97-F100 HydrophobicContact CG-CD1 4.07Å; K97-F100 HydrophobicContact CG-CE1 3.43Å; K97-F100 VanDerWaalsContact CG-CE1 3.43Å; K97-F100 HydrophobicContact CG-CZ 3.72Å; F100-D105 WeakPolarHBondContact CA-OD2 3.44Å; F100-A106 HydrophobicContact CD1-CB 3.67Å; F100-A106 HydrophobicContact CE1-CB 4.03Å; F100-A106 HydrophobicContact CG-CB 4.06Å; F100-T109 HydrophobicContact CE1-CG2 4.45Å
101	S	95.7	Very high	97.2	Very high	95 Å²	95	57.4 Å²	57.4	66%	0.664	32%	0.317	S	S	*	.	S	Bend	trans	-73.8	-36.8	172.2	53	0	0	0	0	111.9	D105	S101-D105 PolarHBondContact N-OD2 3.18Å; S101-D105 VanDerWaalsContact OG-CB 3.24Å; S101-D105 WeakPolarHBondContact OG-CB 3.44Å; S101-D105 PolarHBondContact OG-OD2 3.33Å
102	D	96.7	Very high	97.3	Very high	46 Å²	46	54.1 Å²	54.1	25%	0.246	31%	0.305	C	S	.	.	S	Bend	trans	-171.3	-177.1	-175.7	67.9	-6	0	0	0	111.1	V104 D105 A106 Q171	D102-V104 PolarHBondContact O-N 2.85Å; D102-V104 WeakPolarHBondContact OD1-CB 2.97Å; D102-V104 PolarHBondContact OD1-N 3.48Å; D102-D105 PolarHBondContact O-N 3.17Å; D102-D105 PolarHBondContact OD1-N 3.08Å; D102-A106 PolarHBondContact O-N 3.08Å; D102-Q171 PolarHBondContact OD2-NE2 2.81Å; D102-Q171 VanDerWaalsContact OD2-NE2 3.08Å
103	L	98.1	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-27.6	177.2	-69.9	175.3	0	0	0	112.9	F48 F55 A58 A106 M107 T162 Q171 F174	F48-L103 HydrophobicContact CD1-CD2 4.27Å; F48-L103 HydrophobicContact CE1-CD2 3.55Å; F48-L103 HydrophobicContact CE1-CG 4.46Å; F48-L103 HydrophobicContact CE2-CD2 4.49Å; F48-L103 HydrophobicContact CZ-CD2 3.7Å; F55-L103 HydrophobicContact CD1-CD1 4.01Å; F55-L103 HydrophobicContact CD1-CG 4.5Å; F55-L103 HydrophobicContact CD2-CD2 4.38Å; F55-L103 HydrophobicContact CD2-CG 4.4Å; F55-L103 HydrophobicContact CE1-CD1 3.9Å; F55-L103 HydrophobicContact CE1-CG 4.41Å; F55-L103 HydrophobicContact CE2-CG 4.34Å; F55-L103 HydrophobicContact CG-CD1 4.43Å; F55-L103 HydrophobicContact CG-CD2 4.32Å; F55-L103 HydrophobicContact CG-CG 4.48Å; F55-L103 HydrophobicContact CZ-CD1 4.26Å; F55-L103 HydrophobicContact CZ-CG 4.33Å; A58-L103 HydrophobicContact CB-CD2 3.86Å; L103-A106 PolarHBondContact O-N 3.07Å; L103-M107 WeakPolarHBondContact O-CG 3.43Å; L103-M107 PolarHBondContact O-N 2.87Å; L103-T162 HydrophobicContact CB-CG2 3.98Å; L103-Q171 HydrophobicContact CB-CG 4.14Å; L103-Q171 HydrophobicContact CD1-CB 3.91Å; L103-Q171 HydrophobicContact CD1-CG 4.06Å; L103-Q171 HydrophobicContact CG-CG 4.41Å; L103-F174 HydrophobicContact CD1-CD1 3.88Å
104	V	98.3	Very high	97.3	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-45.5	178.1	-179.7	0	0	0	0	110.2	D102 M107 N108 N163	D102-V104 PolarHBondContact O-N 2.85Å; D102-V104 WeakPolarHBondContact OD1-CB 2.97Å; D102-V104 PolarHBondContact OD1-N 3.48Å; V104-M107 PolarHBondContact O-N 2.85Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.26Å; V104-N108 WeakPolarHBondContact O-CB 3.38Å; V104-N108 PolarHBondContact O-N 3.16Å; V104-N108 PolarHBondContact O-ND2 2.52Å; V104-N163 WeakPolarHBondContact CG1-ND2 3.47Å
105	D	98.4	Very high	97.4	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.3	179.2	28.7	0	0	0	112.1	K97 F100 S101 D102 N108 T109	K97-D105 WeakPolarHBondContact CE-OD1 3.49Å; K97-D105 WeakPolarHBondContact CE-OD2 3.41Å; K97-D105 IonicContact NZ-OD1 3.79Å; K97-D105 PolarHBondContact NZ-OD1 3.06Å; K97-D105 IonicContact NZ-OD2 2.7Å; K97-D105 PolarHBondContact NZ-OD2 2.72Å; F100-D105 WeakPolarHBondContact CA-OD2 3.44Å; S101-D105 PolarHBondContact N-OD2 3.18Å; S101-D105 VanDerWaalsContact OG-CB 3.24Å; S101-D105 WeakPolarHBondContact OG-CB 3.44Å; S101-D105 PolarHBondContact OG-OD2 3.33Å; D102-D105 PolarHBondContact O-N 3.17Å; D102-D105 PolarHBondContact OD1-N 3.08Å; D105-N108 PolarHBondContact O-N 3.28Å; D105-T109 WeakPolarHBondContact O-CB 3.41Å; D105-T109 PolarHBondContact O-N 2.85Å; D105-T109 PolarHBondContact O-OG1 3.5Å
106	A	98.4	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-45.6	176.8	0	0	0	0	0	113	F44 F48 F62 F100 D102 L103 N108 T109 A110	F44-A106 HydrophobicContact CD1-CB 4.43Å; F44-A106 HydrophobicContact CE1-CB 4.47Å; F48-A106 HydrophobicContact CE2-CB 3.65Å; F48-A106 HydrophobicContact CZ-CB 3.46Å; F48-A106 VanDerWaalsContact CZ-CB 3.46Å; F62-A106 HydrophobicContact CE2-CB 4.46Å; F62-A106 HydrophobicContact CZ-CB 4.46Å; F100-A106 HydrophobicContact CD1-CB 3.67Å; F100-A106 HydrophobicContact CE1-CB 4.03Å; F100-A106 HydrophobicContact CG-CB 4.06Å; D102-A106 PolarHBondContact O-N 3.08Å; L103-A106 PolarHBondContact O-N 3.07Å; A106-N108 VanDerWaalsContact C-N 3.34Å; A106-N108 PolarHBondContact O-N 2.91Å; A106-T109 PolarHBondContact O-N 3.46Å; A106-A110 WeakPolarHBondContact O-CB 3.47Å; A106-A110 PolarHBondContact O-N 3.42Å
107	M	98.5	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-35.8	179.1	-62.7	-59	153	0	0	112.1	F62 L103 V104 L111 F155 Y158 V159 T162 F174 L179	F62-M107 HydrophobicContact CE2-CE 3.92Å; F62-M107 HydrophobicContact CZ-CE 3.71Å; F62-M107 HydrophobicContact CZ-SD 4.13Å; L103-M107 WeakPolarHBondContact O-CG 3.43Å; L103-M107 PolarHBondContact O-N 2.87Å; V104-M107 PolarHBondContact O-N 2.85Å; M107-L111 VanDerWaalsContact O-CB 3.29Å; M107-L111 WeakPolarHBondContact O-CB 3.47Å; M107-L111 PolarHBondContact O-N 3.38Å; M107-F155 HydrophobicContact SD-CD1 3.93Å; M107-F155 HydrophobicContact SD-CE1 4.03Å; M107-Y158 HydrophobicContact SD-CD2 3.8Å; M107-Y158 HydrophobicContact SD-CG 4.21Å; M107-V159 HydrophobicContact CB-CG2 3.77Å; M107-T162 HydrophobicContact CG-CG2 4.08Å; M107-F174 HydrophobicContact CE-CE1 4.14Å; M107-L179 HydrophobicContact CE-CD1 4.26Å; M107-L179 HydrophobicContact CE-CD2 4.32Å
108	N	98.7	Very high	98.1	Very high	63 Å²	63	36.9 Å²	36.9	34%	0.337	21%	0.212	S	C	.	.	H	α-helix	trans	-67.9	-37.9	173.5	-81.5	-71.2	0	0	0	112.3	V104 D105 A106 S112 V159	V104-N108 WeakPolarHBondContact CG1-ND2 3.26Å; V104-N108 WeakPolarHBondContact O-CB 3.38Å; V104-N108 PolarHBondContact O-N 3.16Å; V104-N108 PolarHBondContact O-ND2 2.52Å; D105-N108 PolarHBondContact O-N 3.28Å; A106-N108 VanDerWaalsContact C-N 3.34Å; A106-N108 PolarHBondContact O-N 2.91Å; N108-S112 WeakPolarHBondContact O-CB 3.14Å; N108-S112 PolarHBondContact O-N 3Å; N108-S112 PolarHBondContact O-OG 2.99Å; N108-V159 HydrophobicContact CB-CG2 4.39Å; N108-V159 WeakPolarHBondContact OD1-CG1 3.36Å
109	T	98.7	Very high	98.3	Very high	30 Å²	30	38.3 Å²	38.3	18%	0.184	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-49.2	176.8	-54.1	0	0	0	0	110	F44 K97 F100 D105 A106 L111 S112 M113	F44-T109 HydrophobicContact CE1-CG2 4.39Å; F44-T109 HydrophobicContact CE2-CG2 4.38Å; F44-T109 HydrophobicContact CZ-CG2 3.57Å; K97-T109 HydrophobicContact CB-CG2 4.38Å; K97-T109 HydrophobicContact CG-CG2 4.13Å; F100-T109 HydrophobicContact CE1-CG2 4.45Å; D105-T109 WeakPolarHBondContact O-CB 3.41Å; D105-T109 PolarHBondContact O-N 2.85Å; D105-T109 PolarHBondContact O-OG1 3.5Å; A106-T109 PolarHBondContact O-N 3.46Å; T109-L111 PolarHBondContact O-N 3.15Å; T109-S112 WeakPolarHBondContact O-CB 3.45Å; T109-S112 PolarHBondContact O-N 3.2Å; T109-S112 VanDerWaalsContact O-N 3.12Å; T109-M113 HydrophobicContact CG2-SD 4.24Å; T109-M113 WeakPolarHBondContact O-CG 3.33Å; T109-M113 PolarHBondContact O-N 3.12Å
110	A	98.6	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-46.8	176.2	0	0	0	0	0	112	Y41 F44 F62 A106 S112 M113 E114 F155	Y41-A110 HydrophobicContact CE1-CB 3.94Å; F44-A110 HydrophobicContact CE1-CB 4.18Å; F62-A110 HydrophobicContact CE1-CB 4.12Å; A106-A110 WeakPolarHBondContact O-CB 3.47Å; A106-A110 PolarHBondContact O-N 3.42Å; A110-S112 PolarHBondContact O-N 3.33Å; A110-M113 WeakPolarHBondContact O-CB 3.4Å; A110-M113 PolarHBondContact O-N 2.77Å; A110-E114 PolarHBondContact O-N 3.31Å; A110-F155 HydrophobicContact CB-CD1 3.61Å; A110-F155 HydrophobicContact CB-CD2 4.43Å; A110-F155 HydrophobicContact CB-CE1 3.38Å; A110-F155 HydrophobicContact CB-CE2 4.24Å; A110-F155 HydrophobicContact CB-CG 4.15Å; A110-F155 HydrophobicContact CB-CZ 3.72Å
111	L	98.8	Very high	98.4	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-37.7	175	-179.1	58.3	0	0	0	112.8	M107 T109 K115 I152 F155 A156 V159	M107-L111 VanDerWaalsContact O-CB 3.29Å; M107-L111 WeakPolarHBondContact O-CB 3.47Å; M107-L111 PolarHBondContact O-N 3.38Å; T109-L111 PolarHBondContact O-N 3.15Å; L111-K115 HydrophobicContact CD1-CD 4.46Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.36Å; L111-K115 PolarHBondContact O-N 2.82Å; L111-I152 HydrophobicContact CD1-CG2 4.03Å; L111-I152 WeakPolarHBondContact CD1-O 3.46Å; L111-F155 HydrophobicContact CB-CB 3.92Å; L111-F155 HydrophobicContact CD1-CB 3.98Å; L111-A156 HydrophobicContact CD1-CB 4.25Å; L111-A156 HydrophobicContact CD2-CB 4.27Å; L111-V159 HydrophobicContact CD2-CG2 4.15Å
112	S	98.7	Very high	98.5	Very high	78 Å²	78	33.7 Å²	33.7	55%	0.545	19%	0.191	S	C	.	.	H	α-helix	trans	-72.3	-36.8	178.5	-57.4	0	0	0	0	111.7	N108 T109 A110 A116	N108-S112 WeakPolarHBondContact O-CB 3.14Å; N108-S112 PolarHBondContact O-N 3Å; N108-S112 PolarHBondContact O-OG 2.99Å; T109-S112 WeakPolarHBondContact O-CB 3.45Å; T109-S112 PolarHBondContact O-N 3.2Å; T109-S112 VanDerWaalsContact O-N 3.12Å; A110-S112 PolarHBondContact O-N 3.33Å; S112-A116 PolarHBondContact O-N 2.87Å; S112-A116 VanDerWaalsContact O-N 3.12Å
113	M	98.5	Very high	98.6	Very high	29 Å²	29	36.3 Å²	36.3	14%	0.143	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-50.9	173.7	-69.8	167.3	55.4	0	0	110.9	D40 Y41 F44 T109 A110 K115 A116 V117	D40-M113 HydrophobicContact CB-CE 3.51Å; D40-M113 HydrophobicContact CB-SD 4.33Å; Y41-M113 HydrophobicContact CD1-CE 4.32Å; Y41-M113 HydrophobicContact CD2-CE 4.33Å; Y41-M113 HydrophobicContact CE1-CE 4.11Å; Y41-M113 HydrophobicContact CE2-CE 4.14Å; Y41-M113 HydrophobicContact CG-CE 4.42Å; F44-M113 HydrophobicContact CE2-SD 3.91Å; F44-M113 HydrophobicContact CZ-SD 3.62Å; T109-M113 HydrophobicContact CG2-SD 4.24Å; T109-M113 WeakPolarHBondContact O-CG 3.33Å; T109-M113 PolarHBondContact O-N 3.12Å; A110-M113 WeakPolarHBondContact O-CB 3.4Å; A110-M113 PolarHBondContact O-N 2.77Å; M113-K115 VanDerWaalsContact C-N 3.29Å; M113-K115 PolarHBondContact O-N 3.26Å; M113-A116 WeakPolarHBondContact O-CA 3.42Å; M113-A116 WeakPolarHBondContact O-CB 3.48Å; M113-A116 PolarHBondContact O-N 3.42Å; M113-V117 WeakPolarHBondContact O-CG2 3.42Å; M113-V117 PolarHBondContact O-N 2.95Å
114	E	98.7	Very high	98.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-38.7	-178.8	-67.1	-45	137.7	0	0	113.2	Y41 A110 A116 V117 N118 Q148 A151 I152 F155	Y41-E114 WeakPolarHBondContact CE2-OE1 3.31Å; Y41-E114 PolarHBondContact OH-OE1 3Å; A110-E114 PolarHBondContact O-N 3.31Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-V117 PolarHBondContact O-N 2.94Å; E114-N118 WeakPolarHBondContact O-CB 3.12Å; E114-N118 PolarHBondContact O-N 2.9Å; E114-Q148 PolarHBondContact O-NE2 2.87Å; E114-Q148 PolarHBondContact OE2-NE2 3.19Å; E114-A151 HydrophobicContact CG-CB 4.3Å; E114-I152 HydrophobicContact CB-CG1 3.9Å; E114-F155 HydrophobicContact CG-CD2 3.67Å; E114-F155 HydrophobicContact CG-CE2 3.78Å
115	K	98.9	Very high	98.7	Very high	98 Å²	98	37.6 Å²	37.6	43%	0.426	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-40.3	173.8	-75.3	177.1	176.9	178.4	0	112.1	L111 M113 N118 D119 I152	L111-K115 HydrophobicContact CD1-CD 4.46Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.36Å; L111-K115 PolarHBondContact O-N 2.82Å; M113-K115 VanDerWaalsContact C-N 3.29Å; M113-K115 PolarHBondContact O-N 3.26Å; K115-N118 PolarHBondContact O-N 3.43Å; K115-D119 WeakPolarHBondContact O-CB 3.46Å; K115-D119 VanDerWaalsContact O-CG 3.3Å; K115-D119 PolarHBondContact O-N 3.43Å; K115-I152 HydrophobicContact CG-CD1 4.02Å; K115-I152 HydrophobicContact CG-CG1 4.09Å; K115-I152 HydrophobicContact CG-CG2 4.32Å
116	A	98.7	Very high	98.7	Very high	42 Å²	42	41 Å²	41	35%	0.347	22%	0.22	S	C	.	.	H	α-helix	trans	-67.4	-40.7	177.6	0	0	0	0	0	112	M33 S112 M113 E114 D119 S120	M33-A116 VanDerWaalsContact CE-C 3.41Å; M33-A116 HydrophobicContact CE-CB 3.9Å; M33-A116 VanDerWaalsContact CE-O 3.31Å; M33-A116 WeakPolarHBondContact CE-O 3.38Å; S112-A116 PolarHBondContact O-N 2.87Å; S112-A116 VanDerWaalsContact O-N 3.12Å; M113-A116 WeakPolarHBondContact O-CA 3.42Å; M113-A116 WeakPolarHBondContact O-CB 3.48Å; M113-A116 PolarHBondContact O-N 3.42Å; E114-A116 VanDerWaalsContact C-N 3.34Å; A116-D119 PolarHBondContact O-N 2.9Å; A116-S120 PolarHBondContact O-N 3.3Å; A116-S120 VanDerWaalsContact O-N 3.08Å
117	V	98.7	Very high	98.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-47.6	173.6	172.2	0	0	0	0	109.9	M33 E34 A37 M113 E114 D119 S120 L121	M33-V117 HydrophobicContact CE-CG2 4.13Å; M33-V117 HydrophobicContact CG-CG2 4.31Å; E34-V117 WeakPolarHBondContact OE2-CG1 3.25Å; A37-V117 HydrophobicContact CB-CG2 4.49Å; M113-V117 WeakPolarHBondContact O-CG2 3.42Å; M113-V117 PolarHBondContact O-N 2.95Å; E114-V117 PolarHBondContact O-N 2.94Å; V117-D119 PolarHBondContact O-N 3.22Å; V117-S120 WeakPolarHBondContact O-CB 3.29Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 VanDerWaalsContact O-N 3.17Å; V117-L121 HydrophobicContact CG1-CD1 4.03Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 2.99Å
118	N	98.8	Very high	98.8	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-43.3	177.5	-169.9	50.4	0	0	0	112.8	E114 K115 S120 L121 L122 Q148 I152	E114-N118 WeakPolarHBondContact O-CB 3.12Å; E114-N118 PolarHBondContact O-N 2.9Å; K115-N118 PolarHBondContact O-N 3.43Å; N118-S120 PolarHBondContact O-N 2.9Å; N118-L121 WeakPolarHBondContact O-CB 3.41Å; N118-L121 PolarHBondContact O-N 3.42Å; N118-L121 VanDerWaalsContact O-N 3.13Å; N118-L122 WeakPolarHBondContact O-CG 3.47Å; N118-L122 PolarHBondContact O-N 2.53Å; N118-Q148 HydrophobicContact CB-CB 3.97Å; N118-Q148 HydrophobicContact CB-CG 4.12Å; N118-Q148 WeakPolarHBondContact OD1-CB 3.49Å; N118-I152 HydrophobicContact CB-CD1 3.87Å
119	D	98.9	Very high	98.8	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-59.4	-37.6	175.4	-76.7	-18.6	0	0	0	111.8	K115 A116 V117 K123	K115-D119 WeakPolarHBondContact O-CB 3.46Å; K115-D119 VanDerWaalsContact O-CG 3.3Å; K115-D119 PolarHBondContact O-N 3.43Å; A116-D119 PolarHBondContact O-N 2.9Å; V117-D119 PolarHBondContact O-N 3.22Å; D119-K123 PolarHBondContact O-N 3.41Å
120	S	98.8	Very high	98.8	Very high	34 Å²	34	46.4 Å²	46.4	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-40.6	174.4	-176.2	0	0	0	0	112.3	Q30 M33 A116 V117 N118 K123 L124	Q30-S120 VanDerWaalsContact OE1-CB 3.26Å; Q30-S120 PolarHBondContact OE1-OG 3.13Å; M33-S120 WeakPolarHBondContact SD-CB 3.43Å; A116-S120 PolarHBondContact O-N 3.3Å; A116-S120 VanDerWaalsContact O-N 3.08Å; V117-S120 WeakPolarHBondContact O-CB 3.29Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 VanDerWaalsContact O-N 3.17Å; N118-S120 PolarHBondContact O-N 2.9Å; S120-K123 WeakPolarHBondContact O-CB 3.29Å; S120-K123 PolarHBondContact O-N 2.91Å; S120-K123 VanDerWaalsContact O-N 3.15Å; S120-L124 PolarHBondContact O-N 3.06Å
121	L	98.9	Very high	98.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-42.1	175	-73.2	162.7	0	0	0	111.9	Q30 V117 N118 K123 L124 H125 I140 Y144 L145 Q148	Q30-L121 HydrophobicContact CG-CD2 3.82Å; V117-L121 HydrophobicContact CG1-CD1 4.03Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 2.99Å; N118-L121 WeakPolarHBondContact O-CB 3.41Å; N118-L121 PolarHBondContact O-N 3.42Å; N118-L121 VanDerWaalsContact O-N 3.13Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.87Å; L121-L124 WeakPolarHBondContact O-CB 3.18Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.01Å; L121-I140 HydrophobicContact CB-CG2 4.42Å; L121-I140 HydrophobicContact CD2-CG2 4.35Å; L121-Y144 HydrophobicContact CD2-CD1 4.3Å; L121-Y144 HydrophobicContact CD2-CG 4.07Å; L121-L145 HydrophobicContact CB-CD2 3.85Å; L121-Q148 HydrophobicContact CD1-CG 3.58Å
122	L	98.9	Very high	98.8	Very high	80 Å²	80	53.8 Å²	53.8	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-37.8	173.4	-69.5	173.7	0	0	0	111.3	N118 H125 E126 L145	N118-L122 WeakPolarHBondContact O-CG 3.47Å; N118-L122 PolarHBondContact O-N 2.53Å; L122-H125 WeakPolarHBondContact O-CB 3.31Å; L122-H125 PolarHBondContact O-N 3.29Å; L122-E126 PolarHBondContact O-N 3.17Å; L122-L145 HydrophobicContact CD2-CD1 4.25Å; L122-L145 HydrophobicContact CD2-CD2 4.07Å; L122-L145 HydrophobicContact CG-CD2 4.45Å
123	K	98.9	Very high	98.8	Very high	100 Å²	100	50.2 Å²	50.2	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-68.9	-40.1	175	-171.5	64.1	-170.8	174	0	112.6	D119 S120 L121 H125 E126 I127	D119-K123 PolarHBondContact O-N 3.41Å; S120-K123 WeakPolarHBondContact O-CB 3.29Å; S120-K123 PolarHBondContact O-N 2.91Å; S120-K123 VanDerWaalsContact O-N 3.15Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.87Å; K123-H125 VanDerWaalsContact C-N 3.3Å; K123-E126 WeakPolarHBondContact CD-OE2 3.39Å; K123-E126 IonicContact NZ-OE1 3.38Å; K123-E126 PolarHBondContact NZ-OE1 3.22Å; K123-E126 IonicContact NZ-OE2 3.48Å; K123-E126 PolarHBondContact NZ-OE2 3.36Å; K123-E126 PolarHBondContact O-N 3.12Å; K123-I127 HydrophobicContact CG-CD1 4.39Å; K123-I127 WeakPolarHBondContact O-CG1 3.2Å; K123-I127 PolarHBondContact O-N 3.16Å
124	L	98.9	Very high	98.8	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-41.3	173.9	171.3	59.5	0	0	0	110.8	A26 I27 Q30 S120 L121 I127 A128 L136 I140	A26-L124 HydrophobicContact CB-CD1 3.38Å; I27-L124 HydrophobicContact CG1-CD1 3.96Å; I27-L124 HydrophobicContact CG1-CD2 4.11Å; Q30-L124 HydrophobicContact CB-CD2 4.14Å; Q30-L124 HydrophobicContact CG-CD2 4.39Å; S120-L124 PolarHBondContact O-N 3.06Å; L121-L124 WeakPolarHBondContact O-CB 3.18Å; L121-L124 PolarHBondContact O-N 2.93Å; L124-I127 PolarHBondContact O-N 3.21Å; L124-A128 PolarHBondContact O-N 2.6Å; L124-L136 HydrophobicContact CD1-CD2 4.39Å; L124-I140 HydrophobicContact CB-CD1 4.43Å; L124-I140 HydrophobicContact CD1-CD1 4.48Å; L124-I140 HydrophobicContact CD2-CD1 4.01Å; L124-I140 HydrophobicContact CD2-CG1 4.17Å; L124-I140 HydrophobicContact CG-CD1 3.62Å; L124-I140 HydrophobicContact CG-CG1 4.32Å
125	H	98.8	Very high	98.8	Very high	43 Å²	43	55.2 Å²	55.2	20%	0.199	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-46.8	174.7	-178.8	-77.3	0	0	0	112	L121 L122 K123 I127 A128 A129 I140 E141	L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.01Å; L122-H125 WeakPolarHBondContact O-CB 3.31Å; L122-H125 PolarHBondContact O-N 3.29Å; K123-H125 VanDerWaalsContact C-N 3.3Å; H125-I127 VanDerWaalsContact C-N 3.29Å; H125-I127 PolarHBondContact O-N 3.27Å; H125-A128 WeakPolarHBondContact O-CB 3.25Å; H125-A128 PolarHBondContact O-N 2.85Å; H125-A128 VanDerWaalsContact O-N 3.1Å; H125-A129 PolarHBondContact O-N 3.08Å; H125-I140 HydrophobicContact CB-CD1 4.21Å; H125-I140 HydrophobicContact CB-CG2 4.22Å; H125-E141 IonicContact CD2-OE1 3.87Å; H125-E141 IonicContact CE1-OE1 2.77Å; H125-E141 IonicContact NE2-OE1 2.72Å; H125-E141 PolarHBondContact NE2-OE1 3.38Å
126	E	98.9	Very high	98.8	Very high	105 Å²	105	50.6 Å²	50.6	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-57.8	-41.9	175.5	-170.3	-161.4	143.3	0	0	111.8	L122 K123 A129 K130	L122-E126 PolarHBondContact O-N 3.17Å; K123-E126 WeakPolarHBondContact CD-OE2 3.39Å; K123-E126 IonicContact NZ-OE1 3.38Å; K123-E126 PolarHBondContact NZ-OE1 3.22Å; K123-E126 IonicContact NZ-OE2 3.48Å; K123-E126 PolarHBondContact NZ-OE2 3.36Å; K123-E126 PolarHBondContact O-N 3.12Å; E126-A129 PolarHBondContact O-N 2.86Å; E126-K130 VanDerWaalsContact O-CB 3.27Å; E126-K130 WeakPolarHBondContact O-CB 3.19Å; E126-K130 PolarHBondContact O-N 3.28Å
127	I	98.9	Very high	98.8	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-42.2	176.6	-71.3	166.7	0	0	0	111	E22 A26 K123 L124 H125 N131	E22-I127 HydrophobicContact CB-CG2 4.29Å; E22-I127 HydrophobicContact CG-CG2 3.75Å; A26-I127 HydrophobicContact CB-CD1 3.82Å; A26-I127 HydrophobicContact CB-CG2 4.39Å; K123-I127 HydrophobicContact CG-CD1 4.39Å; K123-I127 WeakPolarHBondContact O-CG1 3.2Å; K123-I127 PolarHBondContact O-N 3.16Å; L124-I127 PolarHBondContact O-N 3.21Å; H125-I127 VanDerWaalsContact C-N 3.29Å; H125-I127 PolarHBondContact O-N 3.27Å; I127-N131 WeakPolarHBondContact O-CB 3.47Å; I127-N131 PolarHBondContact O-N 3.01Å; I127-N131 VanDerWaalsContact O-N 3.11Å; I127-N131 PolarHBondContact O-ND2 3.11Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-46.2	176.9	0	0	0	0	0	111.6	L124 H125 N131 N132 D133 L136 T137 I140	L124-A128 PolarHBondContact O-N 2.6Å; H125-A128 WeakPolarHBondContact O-CB 3.25Å; H125-A128 PolarHBondContact O-N 2.85Å; H125-A128 VanDerWaalsContact O-N 3.1Å; A128-N131 CarbonylContact O-C 3.57Å; A128-N131 PolarHBondContact O-N 2.98Å; A128-N132 PolarHBondContact O-N 3.44Å; A128-D133 PolarHBondContact O-N 3.47Å; A128-L136 HydrophobicContact CB-CB 3.91Å; A128-L136 HydrophobicContact CB-CD2 3.61Å; A128-L136 HydrophobicContact CB-CG 3.58Å; A128-T137 HydrophobicContact CB-CG2 3.65Å; A128-I140 HydrophobicContact CB-CD1 4.45Å
129	A	98.7	Very high	98.8	Very high	49 Å²	49	53.9 Å²	53.9	41%	0.405	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-46.2	177.2	0	0	0	0	0	111.8	H125 E126 N131 N132 T137	H125-A129 PolarHBondContact O-N 3.08Å; E126-A129 PolarHBondContact O-N 2.86Å; A129-N131 PolarHBondContact O-N 3.2Å; A129-N132 PolarHBondContact O-N 3.44Å; A129-T137 HydrophobicContact CB-CG2 4.08Å
130	K	98.8	Very high	98.8	Very high	133 Å²	133	48.9 Å²	48.9	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-56.4	-35.7	175	175.9	-168.8	166.9	-148.9	0	112.5	E22 E126 N132	E22-K130 VanDerWaalsContact CD-NZ 3.3Å; E22-K130 IonicContact OE1-NZ 2.85Å; E22-K130 PolarHBondContact OE1-NZ 3.38Å; E22-K130 IonicContact OE2-NZ 3.74Å; E22-K130 PolarHBondContact OE2-NZ 2.94Å; E126-K130 VanDerWaalsContact O-CB 3.27Å; E126-K130 WeakPolarHBondContact O-CB 3.19Å; E126-K130 PolarHBondContact O-N 3.28Å; K130-N132 VanDerWaalsContact C-N 3.31Å
131	N	98.7	Very high	98.8	Very high	46 Å²	46	51 Å²	51	25%	0.246	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.5	179	-76	-84.6	0	0	0	113.4	A20 E22 I127 A128 A129 D133	A20-N131 HydrophobicContact CB-CB 4.01Å; A20-N131 VanDerWaalsContact CB-OD1 3.26Å; A20-N131 WeakPolarHBondContact CB-OD1 3.4Å; E22-N131 PolarHBondContact OE2-ND2 3.37Å; I127-N131 WeakPolarHBondContact O-CB 3.47Å; I127-N131 PolarHBondContact O-N 3.01Å; I127-N131 VanDerWaalsContact O-N 3.11Å; I127-N131 PolarHBondContact O-ND2 3.11Å; A128-N131 CarbonylContact O-C 3.57Å; A128-N131 PolarHBondContact O-N 2.98Å; A129-N131 PolarHBondContact O-N 3.2Å; N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 3.34Å
132	N	98.4	Very high	98.8	Very high	128 Å²	128	53.7 Å²	53.7	68%	0.684	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	45.3	-176	-59.8	-65	0	0	0	112.6	N18 A128 A129 K130 P134	N18-N132 PolarHBondContact ND2-O 2.94Å; A128-N132 PolarHBondContact O-N 3.44Å; A129-N132 PolarHBondContact O-N 3.44Å; K130-N132 VanDerWaalsContact C-N 3.31Å; N132-P134 VanDerWaalsContact C-CD 3.41Å; N132-P134 WeakPolarHBondContact O-CD 3.33Å
133	D	98.7	Very high	98.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.291	C	S	.	.			trans	-104.6	79.6	175.7	-168.4	-9.1	0	0	0	111.4	R83 A128 N131 A135 L136 T137	R83-D133 IonicContact CZ-OD1 3.14Å; R83-D133 IonicContact CZ-OD2 2.99Å; R83-D133 VanDerWaalsContact CZ-OD2 3.28Å; R83-D133 IonicContact NH1-OD1 3.56Å; R83-D133 PolarHBondContact NH1-OD1 2.86Å; R83-D133 VanDerWaalsContact NH1-OD1 3.11Å; R83-D133 IonicContact NH1-OD2 3.71Å; R83-D133 PolarHBondContact NH1-OD2 2.93Å; R83-D133 VanDerWaalsContact NH2-CG 3.32Å; R83-D133 IonicContact NH2-OD1 3.61Å; R83-D133 PolarHBondContact NH2-OD1 2.86Å; R83-D133 VanDerWaalsContact NH2-OD1 3.13Å; R83-D133 IonicContact NH2-OD2 3.61Å; R83-D133 PolarHBondContact NH2-OD2 2.99Å; A128-D133 PolarHBondContact O-N 3.47Å; N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 3.34Å; D133-A135 PolarHBondContact O-N 3.07Å; D133-A135 PolarHBondContact OD1-N 3.35Å; D133-L136 HydrophobicContact CB-CB 4.15Å; D133-L136 PolarHBondContact O-N 3.26Å; D133-L136 VanDerWaalsContact O-N 3.13Å; D133-L136 PolarHBondContact OD1-N 3.46Å; D133-L136 VanDerWaalsContact OD1-N 3.17Å; D133-L136 WeakPolarHBondContact OD2-CB 3.45Å; D133-T137 PolarHBondContact O-N 3.32Å; D133-T137 VanDerWaalsContact O-N 3.1Å
134	P	98.5	Very high	98.7	Very high	88 Å²	88	49.5 Å²	49.5	57%	0.571	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-24.5	-178	26.6	-35.7	0	0	0	113	N132 T137 D138	N132-P134 VanDerWaalsContact C-CD 3.41Å; N132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-T137 VanDerWaalsContact CA-OG1 3.28Å; P134-T137 WeakPolarHBondContact CA-OG1 3.42Å; P134-T137 PolarHBondContact O-OG1 3.47Å; P134-D138 VanDerWaalsContact O-CB 3.22Å; P134-D138 WeakPolarHBondContact O-CB 3.2Å; P134-D138 PolarHBondContact O-N 3.1Å
135	A	98.6	Very high	98.7	Very high	50 Å²	50	50.4 Å²	50.4	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-74.6	-29.1	178.6	0	0	0	0	0	112	Y79 D133 F139	Y79-A135 PolarHBondContact OH-O 3.16Å; D133-A135 PolarHBondContact O-N 3.07Å; D133-A135 PolarHBondContact OD1-N 3.35Å; A135-F139 WeakPolarHBondContact O-CB 3.34Å; A135-F139 PolarHBondContact O-N 3.19Å
136	L	98.8	Very high	98.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-80.6	-40.7	173.2	176.1	56.7	0	0	0	111.3	F19 C23 I27 Y79 L124 A128 D133 D138 F139 I140	F19-L136 HydrophobicContact CE2-CD2 4.32Å; C23-L136 HydrophobicContact CB-CD2 3.68Å; I27-L136 HydrophobicContact CD1-CD1 3.85Å; I27-L136 HydrophobicContact CD1-CD2 4.08Å; I27-L136 HydrophobicContact CG1-CD1 4.37Å; Y79-L136 HydrophobicContact CD1-CD1 4.4Å; Y79-L136 HydrophobicContact CE1-CD1 3.69Å; Y79-L136 VanDerWaalsContact OH-CA 3.31Å; Y79-L136 WeakPolarHBondContact OH-CA 3.49Å; Y79-L136 PolarHBondContact OH-N 2.85Å; L124-L136 HydrophobicContact CD1-CD2 4.39Å; A128-L136 HydrophobicContact CB-CB 3.91Å; A128-L136 HydrophobicContact CB-CD2 3.61Å; A128-L136 HydrophobicContact CB-CG 3.58Å; D133-L136 HydrophobicContact CB-CB 4.15Å; D133-L136 PolarHBondContact O-N 3.26Å; D133-L136 VanDerWaalsContact O-N 3.13Å; D133-L136 PolarHBondContact OD1-N 3.46Å; D133-L136 VanDerWaalsContact OD1-N 3.17Å; D133-L136 WeakPolarHBondContact OD2-CB 3.45Å; L136-D138 PolarHBondContact O-N 3.48Å; L136-F139 HydrophobicContact CD1-CD1 4.26Å; L136-F139 PolarHBondContact O-N 2.89Å; L136-I140 HydrophobicContact CD1-CD1 3.71Å; L136-I140 HydrophobicContact CD1-CG1 3.92Å; L136-I140 HydrophobicContact CG-CD1 3.76Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 VanDerWaalsContact O-CD1 3.31Å; L136-I140 WeakPolarHBondContact O-CD1 3.49Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.12Å
137	T	98.9	Very high	98.7	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-48.4	174.8	56.2	0	0	0	0	111.2	A128 A129 D133 P134 F139 I140 E141	A128-T137 HydrophobicContact CB-CG2 3.65Å; A129-T137 HydrophobicContact CB-CG2 4.08Å; D133-T137 PolarHBondContact O-N 3.32Å; D133-T137 VanDerWaalsContact O-N 3.1Å; P134-T137 VanDerWaalsContact CA-OG1 3.28Å; P134-T137 WeakPolarHBondContact CA-OG1 3.42Å; P134-T137 PolarHBondContact O-OG1 3.47Å; T137-F139 VanDerWaalsContact C-N 3.33Å; T137-F139 PolarHBondContact O-N 2.97Å; T137-I140 PolarHBondContact O-N 3.07Å; T137-E141 WeakPolarHBondContact O-CB 3.31Å; T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.31Å; T137-E141 PolarHBondContact O-N 2.97Å
138	D	98.8	Very high	98.6	Very high	97 Å²	97	51.3 Å²	51.3	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-40.6	177.1	175.6	75.6	0	0	0	112.2	P134 L136 E141 S142	P134-D138 VanDerWaalsContact O-CB 3.22Å; P134-D138 WeakPolarHBondContact O-CB 3.2Å; P134-D138 PolarHBondContact O-N 3.1Å; L136-D138 PolarHBondContact O-N 3.48Å; D138-E141 PolarHBondContact O-N 2.93Å; D138-S142 WeakPolarHBondContact O-CB 3.47Å; D138-S142 PolarHBondContact O-N 3.04Å; D138-S142 PolarHBondContact O-OG 2.59Å
139	F	98.9	Very high	98.6	Very high	20 Å²	20	57 Å²	57	9%	0.088	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.4	174.8	-104	0	0	0	112.4	L76 Y79 A135 L136 T137 S142 Q143 Y144	L76-F139 HydrophobicContact CD2-CE1 4.1Å; Y79-F139 VanDerWaalsContact CB-CZ 3.47Å; Y79-F139 AromaticContact CD1-CD1 3.88Å; Y79-F139 HydrophobicContact CD1-CD1 3.88Å; Y79-F139 AromaticContact CD1-CE1 3.91Å; Y79-F139 HydrophobicContact CD1-CE1 3.91Å; Y79-F139 HydrophobicContact CD1-CG 4.38Å; Y79-F139 HydrophobicContact CD1-CZ 4.44Å; Y79-F139 HydrophobicContact CD2-CB 4.21Å; Y79-F139 AromaticContact CD2-CD1 3.7Å; Y79-F139 HydrophobicContact CD2-CD1 3.7Å; Y79-F139 AromaticContact CD2-CD2 3.3Å; Y79-F139 HydrophobicContact CD2-CD2 3.3Å; Y79-F139 AromaticContact CD2-CE1 3.81Å; Y79-F139 HydrophobicContact CD2-CE1 3.81Å; Y79-F139 AromaticContact CD2-CE2 3.42Å; Y79-F139 HydrophobicContact CD2-CE2 3.42Å; Y79-F139 VanDerWaalsContact CD2-CE2 3.42Å; Y79-F139 AromaticContact CD2-CG 3.45Å; Y79-F139 HydrophobicContact CD2-CG 3.45Å; Y79-F139 VanDerWaalsContact CD2-CG 3.45Å; Y79-F139 AromaticContact CD2-CZ 3.68Å; Y79-F139 HydrophobicContact CD2-CZ 3.68Å; Y79-F139 HydrophobicContact CE1-CD1 4.03Å; Y79-F139 HydrophobicContact CE1-CG 4.32Å; Y79-F139 HydrophobicContact CE2-CB 3.55Å; Y79-F139 AromaticContact CE2-CD1 3.82Å; Y79-F139 HydrophobicContact CE2-CD1 3.82Å; Y79-F139 AromaticContact CE2-CD2 3.5Å; Y79-F139 HydrophobicContact CE2-CD2 3.5Å; Y79-F139 HydrophobicContact CE2-CE1 4.4Å; Y79-F139 HydrophobicContact CE2-CE2 4.12Å; Y79-F139 AromaticContact CE2-CG 3.32Å; Y79-F139 HydrophobicContact CE2-CG 3.32Å; Y79-F139 AromaticContact CG-CD1 3.72Å; Y79-F139 HydrophobicContact CG-CD1 3.72Å; Y79-F139 HydrophobicContact CG-CD2 4.07Å; Y79-F139 AromaticContact CG-CE1 3.52Å; Y79-F139 HydrophobicContact CG-CE1 3.52Å; Y79-F139 AromaticContact CG-CE2 3.88Å; Y79-F139 HydrophobicContact CG-CE2 3.88Å; Y79-F139 AromaticContact CG-CG 3.99Å; Y79-F139 HydrophobicContact CG-CG 3.99Å; Y79-F139 AromaticContact CG-CZ 3.61Å; Y79-F139 HydrophobicContact CG-CZ 3.61Å; Y79-F139 AromaticContact CZ-CD1 3.98Å; Y79-F139 AromaticContact CZ-CG 3.79Å; A135-F139 WeakPolarHBondContact O-CB 3.34Å; A135-F139 PolarHBondContact O-N 3.19Å; L136-F139 HydrophobicContact CD1-CD1 4.26Å; L136-F139 PolarHBondContact O-N 2.89Å; T137-F139 VanDerWaalsContact C-N 3.33Å; T137-F139 PolarHBondContact O-N 2.97Å; F139-S142 PolarHBondContact O-OG 2.7Å; F139-Q143 HydrophobicContact CD2-CB 4.43Å; F139-Q143 HydrophobicContact CD2-CG 3.69Å; F139-Q143 HydrophobicContact CE2-CB 4.25Å; F139-Q143 HydrophobicContact CE2-CG 3.69Å; F139-Q143 HydrophobicContact CG-CG 4.49Å; F139-Q143 HydrophobicContact CZ-CG 4.48Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.48Å; F139-Q143 PolarHBondContact O-N 3.31Å; F139-Y144 HydrophobicContact CD1-CE2 4.27Å; F139-Y144 HydrophobicContact CE1-CD2 4.42Å; F139-Y144 AromaticContact CE1-CE2 3.54Å; F139-Y144 HydrophobicContact CE1-CE2 3.54Å; F139-Y144 HydrophobicContact CE2-CE2 4.42Å; F139-Y144 AromaticContact CZ-CE2 3.63Å; F139-Y144 HydrophobicContact CZ-CE2 3.63Å
140	I	98.9	Very high	98.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-45.1	179.1	-62.5	154.3	0	0	0	110.5	L121 L124 H125 A128 L136 T137 Y144 L145	L121-I140 HydrophobicContact CB-CG2 4.42Å; L121-I140 HydrophobicContact CD2-CG2 4.35Å; L124-I140 HydrophobicContact CB-CD1 4.43Å; L124-I140 HydrophobicContact CD1-CD1 4.48Å; L124-I140 HydrophobicContact CD2-CD1 4.01Å; L124-I140 HydrophobicContact CD2-CG1 4.17Å; L124-I140 HydrophobicContact CG-CD1 3.62Å; L124-I140 HydrophobicContact CG-CG1 4.32Å; H125-I140 HydrophobicContact CB-CD1 4.21Å; H125-I140 HydrophobicContact CB-CG2 4.22Å; A128-I140 HydrophobicContact CB-CD1 4.45Å; L136-I140 HydrophobicContact CD1-CD1 3.71Å; L136-I140 HydrophobicContact CD1-CG1 3.92Å; L136-I140 HydrophobicContact CG-CD1 3.76Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 VanDerWaalsContact O-CD1 3.31Å; L136-I140 WeakPolarHBondContact O-CD1 3.49Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.12Å; T137-I140 PolarHBondContact O-N 3.07Å; I140-Y144 WeakPolarHBondContact O-CB 3.08Å; I140-Y144 PolarHBondContact O-N 2.94Å; I140-L145 HydrophobicContact CG2-CD1 4.32Å; I140-L145 HydrophobicContact CG2-CD2 4.13Å; I140-L145 HydrophobicContact CG2-CG 3.97Å; I140-L145 PolarHBondContact O-N 3.34Å
141	E	98.7	Very high	98.6	Very high	78 Å²	78	54.7 Å²	54.7	36%	0.364	30%	0.295	S	S	.	.	I	π-helix	trans	-58.8	-52.9	177.1	-72	168.1	-163.6	0	0	111.4	H125 T137 D138 L145 H146	H125-E141 IonicContact CD2-OE1 3.87Å; H125-E141 IonicContact CE1-OE1 2.77Å; H125-E141 IonicContact NE2-OE1 2.72Å; H125-E141 PolarHBondContact NE2-OE1 3.38Å; T137-E141 WeakPolarHBondContact O-CB 3.31Å; T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.31Å; T137-E141 PolarHBondContact O-N 2.97Å; D138-E141 PolarHBondContact O-N 2.93Å; E141-L145 HydrophobicContact CG-CD1 4.06Å; E141-H146 PolarHBondContact O-CD2 3.5Å
142	S	98.4	Very high	98.6	Very high	57 Å²	57	54 Å²	54	40%	0.399	29%	0.291	S	S	.	.	I	π-helix	trans	-77.6	-22.3	-171.6	62.3	0	0	0	0	115	D138 F139	D138-S142 WeakPolarHBondContact O-CB 3.47Å; D138-S142 PolarHBondContact O-N 3.04Å; D138-S142 PolarHBondContact O-OG 2.59Å; F139-S142 PolarHBondContact O-OG 2.7Å
143	Q	98.4	Very high	98.6	Very high	90 Å²	90	53.3 Å²	53.3	42%	0.421	28%	0.282	S	S	.	.	I	π-helix	trans	-112.7	-12.5	-174.7	-57.6	-66.3	-91	0	0	113.9	F139	F139-Q143 HydrophobicContact CD2-CB 4.43Å; F139-Q143 HydrophobicContact CD2-CG 3.69Å; F139-Q143 HydrophobicContact CE2-CB 4.25Å; F139-Q143 HydrophobicContact CE2-CG 3.69Å; F139-Q143 HydrophobicContact CG-CG 4.49Å; F139-Q143 HydrophobicContact CZ-CG 4.48Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.48Å; F139-Q143 PolarHBondContact O-N 3.31Å
144	Y	98.8	Very high	98.6	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	30%	0.297	C	S	.	.	I	π-helix	trans	-138.4	-48.1	-173	-60.8	-89.7	0	0	0	113.6	H72 N75 L76 L121 F139 I140 H146 E147 Q148	H72-Y144 HydrophobicContact CB-CE1 4.02Å; H72-Y144 PolarHBondContact O-OH 3.23Å; N75-Y144 WeakPolarHBondContact CB-OH 3.36Å; N75-Y144 PolarHBondContact ND2-OH 3.37Å; L76-Y144 HydrophobicContact CD1-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CE2 4.17Å; L76-Y144 HydrophobicContact CG-CE1 4.2Å; L76-Y144 HydrophobicContact CG-CE2 4.49Å; L76-Y144 WeakPolarHBondContact CG-OH 3.49Å; L76-Y144 PolarHBondContact N-OH 2.95Å; L121-Y144 HydrophobicContact CD2-CD1 4.3Å; L121-Y144 HydrophobicContact CD2-CG 4.07Å; F139-Y144 HydrophobicContact CD1-CE2 4.27Å; F139-Y144 HydrophobicContact CE1-CD2 4.42Å; F139-Y144 AromaticContact CE1-CE2 3.54Å; F139-Y144 HydrophobicContact CE1-CE2 3.54Å; F139-Y144 HydrophobicContact CE2-CE2 4.42Å; F139-Y144 AromaticContact CZ-CE2 3.63Å; F139-Y144 HydrophobicContact CZ-CE2 3.63Å; I140-Y144 WeakPolarHBondContact O-CB 3.08Å; I140-Y144 PolarHBondContact O-N 2.94Å; Y144-H146 PolarHBondContact O-N 2.93Å; Y144-E147 PolarHBondContact O-N 3.35Å; Y144-E147 VanDerWaalsContact O-N 3.15Å; Y144-Q148 WeakPolarHBondContact O-CG 3.36Å; Y144-Q148 PolarHBondContact O-N 3.29Å
145	L	98.8	Very high	98.6	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.126	27%	0.271	C	S	.	.	I	π-helix	trans	-63.9	-41.5	-170.1	-64.2	-175.4	0	0	0	113.1	L121 L122 I140 E141 E147 Q148 E149	L121-L145 HydrophobicContact CB-CD2 3.85Å; L122-L145 HydrophobicContact CD2-CD1 4.25Å; L122-L145 HydrophobicContact CD2-CD2 4.07Å; L122-L145 HydrophobicContact CG-CD2 4.45Å; I140-L145 HydrophobicContact CG2-CD1 4.32Å; I140-L145 HydrophobicContact CG2-CD2 4.13Å; I140-L145 HydrophobicContact CG2-CG 3.97Å; I140-L145 PolarHBondContact O-N 3.34Å; E141-L145 HydrophobicContact CG-CD1 4.06Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.03Å; L145-Q148 PolarHBondContact O-N 3.44Å; L145-E149 WeakPolarHBondContact O-CG 3.21Å; L145-E149 PolarHBondContact O-N 3.23Å
146	H	98.3	Very high	98.6	Very high	116 Å²	116	51.9 Å²	51.9	54%	0.537	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-38.4	175.7	-67.7	-48.6	0	0	0	112.6	E141 Y144 E149 D150	E141-H146 PolarHBondContact O-CD2 3.5Å; Y144-H146 PolarHBondContact O-N 2.93Å; H146-E149 IonicContact ND1-OE2 3.76Å; H146-E149 WeakPolarHBondContact O-CB 3.34Å; H146-E149 PolarHBondContact O-N 3Å; H146-D150 PolarHBondContact O-N 3.08Å; H146-D150 VanDerWaalsContact O-N 3.12Å
147	E	98	Very high	98.6	Very high	72 Å²	72	54.9 Å²	54.9	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-175.6	164	-174.1	0	0	111.4	H72 Y144 L145 E149 D150 A151	H72-E147 IonicContact CE1-OE1 2.7Å; H72-E147 IonicContact NE2-OE1 2.59Å; H72-E147 PolarHBondContact NE2-OE1 3.24Å; H72-E147 VanDerWaalsContact NE2-OE1 3.14Å; H72-E147 IonicContact NE2-OE2 2.6Å; Y144-E147 PolarHBondContact O-N 3.35Å; Y144-E147 VanDerWaalsContact O-N 3.15Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.03Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E147-E149 PolarHBondContact O-N 2.95Å; E147-D150 PolarHBondContact O-N 2.77Å; E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.29Å
148	Q	98.3	Very high	98.6	Very high	3 Å²	3	55 Å²	55	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-37.3	173.3	-70.5	-47.7	94.8	0	0	112.5	E114 N118 L121 Y144 L145 D150 A151 I152	E114-Q148 PolarHBondContact O-NE2 2.87Å; E114-Q148 PolarHBondContact OE2-NE2 3.19Å; N118-Q148 HydrophobicContact CB-CB 3.97Å; N118-Q148 HydrophobicContact CB-CG 4.12Å; N118-Q148 WeakPolarHBondContact OD1-CB 3.49Å; L121-Q148 HydrophobicContact CD1-CG 3.58Å; Y144-Q148 WeakPolarHBondContact O-CG 3.36Å; Y144-Q148 PolarHBondContact O-N 3.29Å; L145-Q148 PolarHBondContact O-N 3.44Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; Q148-D150 PolarHBondContact O-N 3.42Å; Q148-A151 PolarHBondContact O-N 3.2Å; Q148-I152 VanDerWaalsContact O-CB 3.26Å; Q148-I152 WeakPolarHBondContact O-CB 3.29Å; Q148-I152 WeakPolarHBondContact O-CD1 3.14Å; Q148-I152 WeakPolarHBondContact O-CG1 3.48Å; Q148-I152 PolarHBondContact O-N 3.17Å
149	E	98.6	Very high	98.6	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	26%	0.26	S	S	*	.	H	α-helix	trans	-59.9	-44.7	174.2	-75.1	175.8	162.5	0	0	111.3	L145 H146 E147 K153	L145-E149 WeakPolarHBondContact O-CG 3.21Å; L145-E149 PolarHBondContact O-N 3.23Å; H146-E149 IonicContact ND1-OE2 3.76Å; H146-E149 WeakPolarHBondContact O-CB 3.34Å; H146-E149 PolarHBondContact O-N 3Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E147-E149 PolarHBondContact O-N 2.95Å; E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.44Å
150	D	98.5	Very high	98.6	Very high	118 Å²	118	53.9 Å²	53.9	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-66.5	-44.7	177.4	-76.1	-21.5	0	0	0	111.9	H146 E147 Q148 K153 Q154	H146-D150 PolarHBondContact O-N 3.08Å; H146-D150 VanDerWaalsContact O-N 3.12Å; E147-D150 PolarHBondContact O-N 2.77Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; Q148-D150 PolarHBondContact O-N 3.42Å; D150-K153 PolarHBondContact O-N 3.02Å; D150-Q154 WeakPolarHBondContact O-CB 3.32Å; D150-Q154 PolarHBondContact O-N 2.82Å
151	A	98.3	Very high	98.5	Very high	16 Å²	16	56.6 Å²	56.6	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-46.9	177.5	0	0	0	0	0	111.8	E114 E147 Q148 K153 Q154 F155	E114-A151 HydrophobicContact CG-CB 4.3Å; E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.29Å; Q148-A151 PolarHBondContact O-N 3.2Å; A151-K153 VanDerWaalsContact C-N 3.29Å; A151-K153 PolarHBondContact O-N 3.43Å; A151-Q154 PolarHBondContact O-N 3.35Å; A151-F155 VanDerWaalsContact O-CD2 3.31Å; A151-F155 WeakPolarHBondContact O-CD2 3.44Å; A151-F155 PolarHBondContact O-N 2.85Å
152	I	98.8	Very high	98.5	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-42.3	176.2	-71.3	167.2	0	0	0	110.3	L111 E114 K115 N118 Q148 A156	L111-I152 HydrophobicContact CD1-CG2 4.03Å; L111-I152 WeakPolarHBondContact CD1-O 3.46Å; E114-I152 HydrophobicContact CB-CG1 3.9Å; K115-I152 HydrophobicContact CG-CD1 4.02Å; K115-I152 HydrophobicContact CG-CG1 4.09Å; K115-I152 HydrophobicContact CG-CG2 4.32Å; N118-I152 HydrophobicContact CB-CD1 3.87Å; Q148-I152 VanDerWaalsContact O-CB 3.26Å; Q148-I152 WeakPolarHBondContact O-CB 3.29Å; Q148-I152 WeakPolarHBondContact O-CD1 3.14Å; Q148-I152 WeakPolarHBondContact O-CG1 3.48Å; Q148-I152 PolarHBondContact O-N 3.17Å; I152-A156 VanDerWaalsContact O-CB 3.25Å; I152-A156 WeakPolarHBondContact O-CB 3.18Å; I152-A156 PolarHBondContact O-N 2.93Å
153	K	98.7	Very high	98.5	Very high	114 Å²	114	54.8 Å²	54.8	50%	0.496	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-45.9	176.8	178.4	59.8	171.6	73.8	0	111.4	E149 D150 A151 A156 D157	E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.44Å; D150-K153 PolarHBondContact O-N 3.02Å; A151-K153 VanDerWaalsContact C-N 3.29Å; A151-K153 PolarHBondContact O-N 3.43Å; K153-A156 PolarHBondContact O-N 3.45Å; K153-D157 IonicContact NZ-OD1 3.85Å; K153-D157 PolarHBondContact NZ-OD1 2.98Å; K153-D157 IonicContact NZ-OD2 2.85Å; K153-D157 PolarHBondContact NZ-OD2 3.09Å; K153-D157 PolarHBondContact O-N 3Å
154	Q	98.4	Very high	98.5	Very high	73 Å²	73	59.1 Å²	59.1	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-49.9	179.3	-177	-179.4	34.7	0	0	111.5	D150 A151 A156 D157 Y158	D150-Q154 WeakPolarHBondContact O-CB 3.32Å; D150-Q154 PolarHBondContact O-N 2.82Å; A151-Q154 PolarHBondContact O-N 3.35Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.21Å; Q154-D157 WeakPolarHBondContact O-CB 3.4Å; Q154-D157 PolarHBondContact O-N 3.32Å; Q154-Y158 HydrophobicContact CG-CD2 4.11Å; Q154-Y158 HydrophobicContact CG-CE1 4.31Å; Q154-Y158 HydrophobicContact CG-CE2 3.58Å; Q154-Y158 PolarHBondContact NE2-OH 3.48Å; Q154-Y158 VanDerWaalsContact NE2-OH 3.08Å; Q154-Y158 PolarHBondContact O-N 3.41Å
155	F	98.6	Very high	98.5	Very high	6 Å²	6	62 Å²	62	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-33.5	179.1	-77.5	-66.2	0	0	0	112.8	F61 F62 M107 A110 L111 E114 A151 D157 Y158 V159	F61-F155 AromaticContact CE1-CE1 3.7Å; F61-F155 HydrophobicContact CE1-CE1 3.7Å; F61-F155 AromaticContact CE1-CZ 3.73Å; F61-F155 HydrophobicContact CE1-CZ 3.73Å; F61-F155 HydrophobicContact CZ-CE1 4.07Å; F61-F155 AromaticContact CZ-CZ 3.93Å; F61-F155 HydrophobicContact CZ-CZ 3.93Å; F62-F155 AromaticContact CE1-CE1 3.96Å; F62-F155 HydrophobicContact CE1-CE1 3.96Å; F62-F155 HydrophobicContact CE1-CZ 4.24Å; F62-F155 HydrophobicContact CZ-CE1 4.42Å; M107-F155 HydrophobicContact SD-CD1 3.93Å; M107-F155 HydrophobicContact SD-CE1 4.03Å; A110-F155 HydrophobicContact CB-CD1 3.61Å; A110-F155 HydrophobicContact CB-CD2 4.43Å; A110-F155 HydrophobicContact CB-CE1 3.38Å; A110-F155 HydrophobicContact CB-CE2 4.24Å; A110-F155 HydrophobicContact CB-CG 4.15Å; A110-F155 HydrophobicContact CB-CZ 3.72Å; L111-F155 HydrophobicContact CB-CB 3.92Å; L111-F155 HydrophobicContact CD1-CB 3.98Å; E114-F155 HydrophobicContact CG-CD2 3.67Å; E114-F155 HydrophobicContact CG-CE2 3.78Å; A151-F155 VanDerWaalsContact O-CD2 3.31Å; A151-F155 WeakPolarHBondContact O-CD2 3.44Å; A151-F155 PolarHBondContact O-N 2.85Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 2.71Å; F155-Y158 HydrophobicContact CD1-CD2 4.26Å; F155-Y158 PolarHBondContact O-N 3.29Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.75Å
156	A	98.8	Very high	98.3	Very high	33 Å²	33	62.3 Å²	62.3	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-38.6	173.2	0	0	0	0	0	112.4	L111 I152 K153 Q154 T160	L111-A156 HydrophobicContact CD1-CB 4.25Å; L111-A156 HydrophobicContact CD2-CB 4.27Å; I152-A156 VanDerWaalsContact O-CB 3.25Å; I152-A156 WeakPolarHBondContact O-CB 3.18Å; I152-A156 PolarHBondContact O-N 2.93Å; K153-A156 PolarHBondContact O-N 3.45Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.21Å; A156-T160 PolarHBondContact O-N 2.77Å; A156-T160 PolarHBondContact O-OG1 3.3Å; A156-T160 VanDerWaalsContact O-OG1 3.06Å
157	D	98.7	Very high	98.2	Very high	62 Å²	62	61.4 Å²	61.4	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-46.4	172.3	-70.3	-17.2	0	0	0	110.7	K153 Q154 F155 V159 T160 E161	K153-D157 IonicContact NZ-OD1 3.85Å; K153-D157 PolarHBondContact NZ-OD1 2.98Å; K153-D157 IonicContact NZ-OD2 2.85Å; K153-D157 PolarHBondContact NZ-OD2 3.09Å; K153-D157 PolarHBondContact O-N 3Å; Q154-D157 WeakPolarHBondContact O-CB 3.4Å; Q154-D157 PolarHBondContact O-N 3.32Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 2.71Å; D157-V159 VanDerWaalsContact C-N 3.35Å; D157-V159 PolarHBondContact O-N 3.32Å; D157-T160 CarbonylContact O-C 3.56Å; D157-T160 WeakPolarHBondContact O-CA 3.19Å; D157-T160 WeakPolarHBondContact O-CB 3.33Å; D157-T160 PolarHBondContact O-N 2.78Å; D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 2.81Å
158	Y	98.6	Very high	98	Very high	25 Å²	25	60.6 Å²	60.6	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-37.8	178.7	-69	-14.3	0	0	0	113.3	F61 M107 Q154 F155 T160 E161 T162 F174 T178 L179	F61-Y158 HydrophobicContact CE2-CE2 4.13Å; F61-Y158 AromaticContact CZ-CE2 3.92Å; F61-Y158 HydrophobicContact CZ-CE2 3.92Å; M107-Y158 HydrophobicContact SD-CD2 3.8Å; M107-Y158 HydrophobicContact SD-CG 4.21Å; Q154-Y158 HydrophobicContact CG-CD2 4.11Å; Q154-Y158 HydrophobicContact CG-CE1 4.31Å; Q154-Y158 HydrophobicContact CG-CE2 3.58Å; Q154-Y158 PolarHBondContact NE2-OH 3.48Å; Q154-Y158 VanDerWaalsContact NE2-OH 3.08Å; Q154-Y158 PolarHBondContact O-N 3.41Å; F155-Y158 HydrophobicContact CD1-CD2 4.26Å; F155-Y158 PolarHBondContact O-N 3.29Å; Y158-T160 VanDerWaalsContact C-N 3.3Å; Y158-T160 PolarHBondContact O-N 2.95Å; Y158-E161 PolarHBondContact O-N 3.4Å; Y158-T162 WeakPolarHBondContact O-CB 3.33Å; Y158-T162 VanDerWaalsContact O-CG2 3.26Å; Y158-T162 WeakPolarHBondContact O-CG2 3.45Å; Y158-T162 PolarHBondContact O-N 3.15Å; Y158-T162 PolarHBondContact O-OG1 2.7Å; Y158-F174 HydrophobicContact CD1-CE2 4.04Å; Y158-F174 AromaticContact CD1-CZ 3.74Å; Y158-F174 HydrophobicContact CD1-CZ 3.74Å; Y158-F174 HydrophobicContact CD2-CZ 4.45Å; Y158-F174 HydrophobicContact CE1-CZ 4.36Å; Y158-F174 HydrophobicContact CG-CE2 4.45Å; Y158-F174 AromaticContact CG-CZ 3.8Å; Y158-F174 HydrophobicContact CG-CZ 3.8Å; Y158-T178 HydrophobicContact CD1-CG2 4.06Å; Y158-T178 HydrophobicContact CE1-CG2 3.53Å; Y158-L179 HydrophobicContact CD2-CD2 4.22Å; Y158-L179 HydrophobicContact CE2-CD2 3.75Å
159	V	98.7	Very high	98	Very high	19 Å²	19	66.6 Å²	66.6	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-45.2	170.1	168.2	0	0	0	0	110.4	M107 N108 L111 F155 D157 T162 N163	M107-V159 HydrophobicContact CB-CG2 3.77Å; N108-V159 HydrophobicContact CB-CG2 4.39Å; N108-V159 WeakPolarHBondContact OD1-CG1 3.36Å; L111-V159 HydrophobicContact CD2-CG2 4.15Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.75Å; D157-V159 VanDerWaalsContact C-N 3.35Å; D157-V159 PolarHBondContact O-N 3.32Å; V159-T162 PolarHBondContact O-OG1 2.87Å; V159-N163 WeakPolarHBondContact O-CB 3.25Å; V159-N163 PolarHBondContact O-N 2.82Å; V159-N163 PolarHBondContact O-ND2 2.94Å
160	T	98.7	Very high	98	Very high	73 Å²	73	61.5 Å²	61.5	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-42.7	-179.8	-57.7	0	0	0	0	111.8	A156 D157 Y158 R164	A156-T160 PolarHBondContact O-N 2.77Å; A156-T160 PolarHBondContact O-OG1 3.3Å; A156-T160 VanDerWaalsContact O-OG1 3.06Å; D157-T160 CarbonylContact O-C 3.56Å; D157-T160 WeakPolarHBondContact O-CA 3.19Å; D157-T160 WeakPolarHBondContact O-CB 3.33Å; D157-T160 PolarHBondContact O-N 2.78Å; Y158-T160 VanDerWaalsContact C-N 3.3Å; Y158-T160 PolarHBondContact O-N 2.95Å; T160-R164 WeakPolarHBondContact O-CB 3.44Å; T160-R164 PolarHBondContact O-N 3.44Å
161	E	98.5	Very high	98	Very high	57 Å²	57	56.2 Å²	56.2	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-69.8	-44.9	-178.1	-72.3	179.6	179.8	0	0	112.3	D157 Y158 N163 R164 V165 F174 T178	D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 2.81Å; Y158-E161 PolarHBondContact O-N 3.4Å; E161-N163 VanDerWaalsContact C-N 3.31Å; E161-N163 PolarHBondContact O-N 2.99Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.39Å; E161-V165 WeakPolarHBondContact O-CG2 3.38Å; E161-V165 PolarHBondContact O-N 3.06Å; E161-F174 HydrophobicContact CB-CD2 4.05Å; E161-F174 HydrophobicContact CB-CE2 3.71Å; E161-T178 VanDerWaalsContact OE2-CG2 3.31Å; E161-T178 WeakPolarHBondContact OE2-CG2 3.5Å
162	T	98.1	Very high	97.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-39.3	176.9	51.4	0	0	0	0	111.7	L103 M107 Y158 V159 V165 G166 F174	L103-T162 HydrophobicContact CB-CG2 3.98Å; M107-T162 HydrophobicContact CG-CG2 4.08Å; Y158-T162 WeakPolarHBondContact O-CB 3.33Å; Y158-T162 VanDerWaalsContact O-CG2 3.26Å; Y158-T162 WeakPolarHBondContact O-CG2 3.45Å; Y158-T162 PolarHBondContact O-N 3.15Å; Y158-T162 PolarHBondContact O-OG1 2.7Å; V159-T162 PolarHBondContact O-OG1 2.87Å; T162-V165 WeakPolarHBondContact O-CG2 3.44Å; T162-G166 PolarHBondContact O-N 2.77Å; T162-F174 HydrophobicContact CG2-CD1 3.81Å; T162-F174 HydrophobicContact CG2-CD2 3.95Å; T162-F174 HydrophobicContact CG2-CE1 3.63Å; T162-F174 HydrophobicContact CG2-CE2 3.79Å; T162-F174 HydrophobicContact CG2-CG 3.96Å; T162-F174 HydrophobicContact CG2-CZ 3.63Å
163	N	98.1	Very high	97.9	Very high	97 Å²	97	63.4 Å²	63.4	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-40.8	171.3	-83.9	-68.1	0	0	0	112.4	V104 V159 E161	V104-N163 WeakPolarHBondContact CG1-ND2 3.47Å; V159-N163 WeakPolarHBondContact O-CB 3.25Å; V159-N163 PolarHBondContact O-N 2.82Å; V159-N163 PolarHBondContact O-ND2 2.94Å; E161-N163 VanDerWaalsContact C-N 3.31Å; E161-N163 PolarHBondContact O-N 2.99Å
164	R	98.4	Very high	97.9	Very high	182 Å²	182	58.1 Å²	58.1	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-66.9	-40.9	-177.8	-174.2	-174.1	-60	145.2	3.3	112.5	T160 E161	T160-R164 WeakPolarHBondContact O-CB 3.44Å; T160-R164 PolarHBondContact O-N 3.44Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.39Å
165	V	97.9	Very high	97.9	Very high	63 Å²	63	54.7 Å²	54.7	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-76.2	-26.3	-177.6	-61	0	0	0	0	112.5	E161 T162 G170 F174	E161-V165 WeakPolarHBondContact O-CG2 3.38Å; E161-V165 PolarHBondContact O-N 3.06Å; T162-V165 WeakPolarHBondContact O-CG2 3.44Å; V165-G170 VanDerWaalsContact CG2-C 3.45Å; V165-G170 WeakPolarHBondContact CG2-O 3.3Å; V165-G170 WeakPolarHBondContact O-CA 3.21Å; V165-F174 HydrophobicContact CG2-CB 4.19Å
166	G	96.2	Very high	97.8	Very high	30 Å²	30	58 Å²	58	31%	0.309	32%	0.32	S	S	.	.			trans	70.2	-176.9	-176.1	0	0	0	0	0	113.4	T162 G170 Q171	T162-G166 PolarHBondContact O-N 2.77Å; G166-G170 CarbonylContact O-C 3.53Å; G166-G170 WeakPolarHBondContact O-CA 3.24Å; G166-Q171 WeakPolarHBondContact O-CG 3.47Å; G166-Q171 PolarHBondContact O-N 2.97Å
167	S	95.1	Very high	97.7	Very high	97 Å²	97	63.4 Å²	63.4	68%	0.678	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	174.8	-173.7	62.9	0	0	0	0	113.9	L169 G170	S167-L169 PolarHBondContact O-N 3.22Å; S167-G170 PolarHBondContact O-N 3.19Å
168	G	95	Very high	97.5	Very high	55 Å²	55	62.4 Å²	62.4	57%	0.567	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-117.1	176.9	0	0	0	0	0	112.2	G170 Q171 Y172	G168-G170 PolarHBondContact O-N 3.34Å; G168-Q171 PolarHBondContact O-N 3.37Å; G168-Y172 WeakPolarHBondContact O-CB 3.42Å; G168-Y172 PolarHBondContact O-N 3.49Å
169	L	97.6	Very high	97.4	Very high	128 Å²	128	61.3 Å²	61.3	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-58.2	-34.3	-179.9	-179.1	60.8	0	0	0	112.3	S167 Y172 L173	S167-L169 PolarHBondContact O-N 3.22Å; L169-Y172 HydrophobicContact CD1-CD1 4.22Å; L169-Y172 PolarHBondContact O-N 3.49Å; L169-L173 HydrophobicContact CD1-CD1 4.35Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.2Å; L169-L173 HydrophobicContact CG-CG 4.42Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.13Å
170	G	98	Very high	96.4	Very high	12 Å²	12	68.5 Å²	68.5	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-57.7	-179.5	0	0	0	0	0	112.8	V165 G166 S167 G168 Y172 L173 F174	V165-G170 VanDerWaalsContact CG2-C 3.45Å; V165-G170 WeakPolarHBondContact CG2-O 3.3Å; V165-G170 WeakPolarHBondContact O-CA 3.21Å; G166-G170 CarbonylContact O-C 3.53Å; G166-G170 WeakPolarHBondContact O-CA 3.24Å; S167-G170 PolarHBondContact O-N 3.19Å; G168-G170 PolarHBondContact O-N 3.34Å; G170-Y172 VanDerWaalsContact C-N 3.29Å; G170-Y172 PolarHBondContact O-N 2.96Å; G170-L173 PolarHBondContact O-N 2.94Å; G170-L173 VanDerWaalsContact O-N 3.13Å; G170-F174 PolarHBondContact O-N 2.97Å
171	Q	98.2	Very high	94.4	Very high	8 Å²	8	73 Å²	73	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-62.9	-33.9	175.6	-82.5	-178.9	35.9	0	0	112.9	F55 D102 L103 G166 G168 L173 F174 D175	F55-Q171 HydrophobicContact CE1-CB 4.16Å; F55-Q171 HydrophobicContact CZ-CB 4.12Å; D102-Q171 PolarHBondContact OD2-NE2 2.81Å; D102-Q171 VanDerWaalsContact OD2-NE2 3.08Å; L103-Q171 HydrophobicContact CB-CG 4.14Å; L103-Q171 HydrophobicContact CD1-CB 3.91Å; L103-Q171 HydrophobicContact CD1-CG 4.06Å; L103-Q171 HydrophobicContact CG-CG 4.41Å; G166-Q171 WeakPolarHBondContact O-CG 3.47Å; G166-Q171 PolarHBondContact O-N 2.97Å; G168-Q171 PolarHBondContact O-N 3.37Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.49Å; Q171-F174 PolarHBondContact O-N 3.06Å; Q171-D175 PolarHBondContact O-N 3.42Å
172	Y	97.6	Very high	94.2	Very high	123 Å²	123	73.8 Å²	73.8	48%	0.482	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-45	171.1	175.7	-95.5	0	0	0	111.8	G168 L169 G170 D175 K176	G168-Y172 WeakPolarHBondContact O-CB 3.42Å; G168-Y172 PolarHBondContact O-N 3.49Å; L169-Y172 HydrophobicContact CD1-CD1 4.22Å; L169-Y172 PolarHBondContact O-N 3.49Å; G170-Y172 VanDerWaalsContact C-N 3.29Å; G170-Y172 PolarHBondContact O-N 2.96Å; Y172-D175 PolarHBondContact O-N 2.7Å; Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 HydrophobicContact CE2-CG 4.24Å; Y172-K176 WeakPolarHBondContact O-CG 3.46Å; Y172-K176 PolarHBondContact O-N 3Å; Y172-K176 VanDerWaalsContact O-N 3.09Å
173	L	97.9	Very high	94	Very high	75 Å²	75	77.6 Å²	77.6	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-67.7	-37.3	176.4	-69.6	174.7	0	0	0	112.2	L169 G170 Q171 K176 M177	L169-L173 HydrophobicContact CD1-CD1 4.35Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.2Å; L169-L173 HydrophobicContact CG-CG 4.42Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.13Å; G170-L173 PolarHBondContact O-N 2.94Å; G170-L173 VanDerWaalsContact O-N 3.13Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 3.49Å; L173-M177 HydrophobicContact CB-SD 4.49Å; L173-M177 HydrophobicContact CD2-SD 4.02Å; L173-M177 VanDerWaalsContact O-CB 3.25Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 WeakPolarHBondContact O-CG 3.49Å; L173-M177 PolarHBondContact O-N 3.25Å
174	F	98.3	Very high	93.8	Very high	3 Å²	3	76.6 Å²	76.6	1%	0.013	40%	0.399	C	S	.	.	H	α-helix	trans	-60.1	-48	174.5	179.5	-86.2	0	0	0	111.6	L103 M107 Y158 E161 T162 V165 G170 Q171 K176 T178 L179	L103-F174 HydrophobicContact CD1-CD1 3.88Å; M107-F174 HydrophobicContact CE-CE1 4.14Å; Y158-F174 HydrophobicContact CD1-CE2 4.04Å; Y158-F174 AromaticContact CD1-CZ 3.74Å; Y158-F174 HydrophobicContact CD1-CZ 3.74Å; Y158-F174 HydrophobicContact CD2-CZ 4.45Å; Y158-F174 HydrophobicContact CE1-CZ 4.36Å; Y158-F174 HydrophobicContact CG-CE2 4.45Å; Y158-F174 AromaticContact CG-CZ 3.8Å; Y158-F174 HydrophobicContact CG-CZ 3.8Å; E161-F174 HydrophobicContact CB-CD2 4.05Å; E161-F174 HydrophobicContact CB-CE2 3.71Å; T162-F174 HydrophobicContact CG2-CD1 3.81Å; T162-F174 HydrophobicContact CG2-CD2 3.95Å; T162-F174 HydrophobicContact CG2-CE1 3.63Å; T162-F174 HydrophobicContact CG2-CE2 3.79Å; T162-F174 HydrophobicContact CG2-CG 3.96Å; T162-F174 HydrophobicContact CG2-CZ 3.63Å; V165-F174 HydrophobicContact CG2-CB 4.19Å; G170-F174 PolarHBondContact O-N 2.97Å; Q171-F174 PolarHBondContact O-N 3.06Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3Å; F174-T178 HydrophobicContact CD2-CG2 4.08Å; F174-T178 HydrophobicContact CE2-CG2 3.6Å; F174-T178 HydrophobicContact CZ-CG2 3.98Å; F174-T178 VanDerWaalsContact O-CB 3.31Å; F174-T178 WeakPolarHBondContact O-CB 3.37Å; F174-T178 PolarHBondContact O-N 3.33Å; F174-L179 HydrophobicContact CD1-CD1 4.26Å; F174-L179 HydrophobicContact CD1-CG 4.13Å; F174-L179 HydrophobicContact CE1-CD1 3.86Å; F174-L179 HydrophobicContact CE1-CD2 3.74Å; F174-L179 HydrophobicContact CE1-CG 3.63Å; F174-L179 HydrophobicContact CZ-CD2 4.06Å; F174-L179 HydrophobicContact CZ-CG 4.34Å; F174-L179 PolarHBondContact O-N 3.22Å
175	D	98.4	Very high	93.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-55	-48.9	173.9	176.1	80.2	0	0	0	110.7	F55 K57 A58 Q171 Y172	F55-D175 WeakPolarHBondContact CA-OD1 3.39Å; F55-D175 WeakPolarHBondContact CB-OD1 3.41Å; F55-D175 HydrophobicContact CD1-CB 3.66Å; F55-D175 HydrophobicContact CE1-CB 4.35Å; K57-D175 WeakPolarHBondContact CA-OD1 3.45Å; K57-D175 WeakPolarHBondContact CB-O 3.31Å; K57-D175 WeakPolarHBondContact CB-OD1 3.35Å; K57-D175 WeakPolarHBondContact CG-O 3.21Å; K57-D175 PolarHBondContact N-OD1 3.41Å; A58-D175 PolarHBondContact N-OD1 3.46Å; Q171-D175 PolarHBondContact O-N 3.42Å; Y172-D175 PolarHBondContact O-N 2.7Å
176	K	96.9	Very high	93.2	Very high	76 Å²	76	70.8 Å²	70.8	33%	0.33	38%	0.382	S	S	.	.	H	α-helix	trans	-74.5	-33.6	-175.2	-63.6	-55.3	174.9	-133.8	0	115.4	Y172 L173 F174	Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 HydrophobicContact CE2-CG 4.24Å; Y172-K176 WeakPolarHBondContact O-CG 3.46Å; Y172-K176 PolarHBondContact O-N 3Å; Y172-K176 VanDerWaalsContact O-N 3.09Å; L173-K176 PolarHBondContact O-N 3.49Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3Å
177	M	96.1	Very high	93	Very high	147 Å²	147	73.5 Å²	73.5	72%	0.724	39%	0.386	S	S	*	.	H	α-helix	trans	-111.2	-26.6	-165.9	-55.1	-173.1	98	0	0	113.5	L173	L173-M177 HydrophobicContact CB-SD 4.49Å; L173-M177 HydrophobicContact CD2-SD 4.02Å; L173-M177 VanDerWaalsContact O-CB 3.25Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 WeakPolarHBondContact O-CG 3.49Å; L173-M177 PolarHBondContact O-N 3.25Å
178	T	96.1	Very high	92.9	Very high	40 Å²	40	71.9 Å²	71.9	25%	0.245	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-49.6	-176.8	-58.8	0	0	0	0	112	Y158 E161 F174 K180	Y158-T178 HydrophobicContact CD1-CG2 4.06Å; Y158-T178 HydrophobicContact CE1-CG2 3.53Å; E161-T178 VanDerWaalsContact OE2-CG2 3.31Å; E161-T178 WeakPolarHBondContact OE2-CG2 3.5Å; F174-T178 HydrophobicContact CD2-CG2 4.08Å; F174-T178 HydrophobicContact CE2-CG2 3.6Å; F174-T178 HydrophobicContact CZ-CG2 3.98Å; F174-T178 VanDerWaalsContact O-CB 3.31Å; F174-T178 WeakPolarHBondContact O-CB 3.37Å; F174-T178 PolarHBondContact O-N 3.33Å; T178-K180 PolarHBondContact O-N 3.31Å
179	L	95.4	Very high	92.7	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.016	35%	0.35	C	S	.	.	S	Bend	trans	-73.3	99.2	-179.7	-61.4	-178.1	0	0	0	108.8	K57 A58 F61 M107 Y158 F174	K57-L179 HydrophobicContact CB-CB 3.96Å; A58-L179 HydrophobicContact CB-CD1 3.62Å; F61-L179 HydrophobicContact CD2-CD2 4.38Å; F61-L179 HydrophobicContact CG-CD2 4.3Å; M107-L179 HydrophobicContact CE-CD1 4.26Å; M107-L179 HydrophobicContact CE-CD2 4.32Å; Y158-L179 HydrophobicContact CD2-CD2 4.22Å; Y158-L179 HydrophobicContact CE2-CD2 3.75Å; F174-L179 HydrophobicContact CD1-CD1 4.26Å; F174-L179 HydrophobicContact CD1-CG 4.13Å; F174-L179 HydrophobicContact CE1-CD1 3.86Å; F174-L179 HydrophobicContact CE1-CD2 3.74Å; F174-L179 HydrophobicContact CE1-CG 3.63Å; F174-L179 HydrophobicContact CZ-CD2 4.06Å; F174-L179 HydrophobicContact CZ-CG 4.34Å; F174-L179 PolarHBondContact O-N 3.22Å
180	K	77.5	Confident	92.3	Very high	169 Å²	169	68.6 Å²	68.6	74%	0.735	32%	0.323	S	S	*	.			trans	-72.9	148.1	177.3	-64.6	178.9	-175.8	172.9	0	109.4	T178	T178-K180 PolarHBondContact O-N 3.31Å
181	E	57.6	Low	91.8	Very high	167 Å²	167	73.7 Å²	73.7	78%	0.78	34%	0.341	S	S	*	.			trans	-67.8	0	156.2	-73.2	169.6	-164.3	0	0	108	K57 K64	K57-E181 HydrophobicContact CD-CG 4.2Å; K57-E181 IonicContact NZ-OE1 3.32Å; K57-E181 PolarHBondContact NZ-OE1 3.03Å; K64-E181 PolarHBondContact NZ-OXT 3.08Å

Retrieved 181 of 181 residues in 96.6 ms (Link to these results)

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