1433Z_PONAB Loading...

14-3-3 protein zeta/delta

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Promotes cytosolic retention and inactivation of TFEB transcription factor by binding to phosphorylated TFEB. Induces ARHGEF7 activity on RAC1 as well as lamellipodia and membrane ruffle formation (By similarity). In neurons, regulates spine maturation through the modulation of ARHGEF7 activity (By similarity).

AlphaFold DB (P63103), UniProt , Accession Q5R651, Species PONAB (Pongo abelii, Sumatran orangutan), Gene YWHAZ, Length 245 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	71.3	Confident	94.7	Very high	130 Å²	130	67.2 Å²	67.2	64%	0.64	33%	0.325	S	S	*	.				0	139	0	-162	174.2	-56.2	0	0	106.4	E5 L6 K9	M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å
2	D	92.7	Very high	95	Very high	84 Å²	84	70.9 Å²	70.9	45%	0.449	35%	0.347	S	S	.	.			trans	-66.1	151.8	178.8	179.2	43.6	0	0	0	110.7	N4 E5 L6	D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å
3	K	95.4	Very high	95.3	Very high	40 Å²	40	66.2 Å²	66.2	17%	0.174	33%	0.326	C	S	.	.	H	α-helix	trans	-53.8	-45.4	177.3	-172.5	179.2	179.3	-162.6	0	110.9	E5 L6 V7 V29 E40	K3-E5 PolarHBondContact O-N 3.21Å; K3-L6 PolarHBondContact O-N 3.1Å; K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å
4	N	95.9	Very high	95.5	Very high	104 Å²	104	66.4 Å²	66.4	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-65	-41.2	-177.8	-59.8	-55.5	0	0	0	111.8	D2 L6 V7 Q8	D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; N4-V7 PolarHBondContact O-N 3.5Å; N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å
5	E	97.2	Very high	95.6	Very high	109 Å²	109	72.3 Å²	72.3	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-41	176.3	-69.6	179.2	158.9	0	0	111.9	M1 D2 K3 Q8 K9	M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; K3-E5 PolarHBondContact O-N 3.21Å; E5-Q8 PolarHBondContact O-N 2.96Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å
6	L	98	Very high	95.8	Very high	12 Å²	12	71.8 Å²	71.8	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-66.2	-43.5	177.1	-71.9	165.8	0	0	0	111.9	M1 D2 K3 N4 K9 A10 V29	M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å; K3-L6 PolarHBondContact O-N 3.1Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; L6-K9 PolarHBondContact O-N 3.41Å; L6-A10 PolarHBondContact O-N 3.15Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å
7	V	98.3	Very high	95.9	Very high	8 Å²	8	76 Å²	76	5%	0.048	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.3	175.3	0	0	0	0	110.6	K3 N4 K9 A10 K11 V29 E40 L43	K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; N4-V7 PolarHBondContact O-N 3.5Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; V7-L43 HydrophobicContact CG1-CD1 3.88Å
8	Q	98.1	Very high	96	Very high	111 Å²	111	79.8 Å²	79.8	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-63.4	-39.7	176.1	-68.4	-59.6	-30.1	0	0	112.1	N4 E5 K11 L12	N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å; E5-Q8 PolarHBondContact O-N 2.96Å; Q8-K11 PolarHBondContact O-N 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å
9	K	98.1	Very high	96.2	Very high	99 Å²	99	78.3 Å²	78.3	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-40	172.8	-75.5	179.5	-178.4	-178.4	0	112.5	M1 E5 L6 V7 K11 L12 A13	M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å; L6-K9 PolarHBondContact O-N 3.41Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K9-L12 PolarHBondContact O-N 2.93Å; K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å
10	A	98.5	Very high	96.3	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-42.8	174.9	0	0	0	0	0	111.6	L6 V7 A13 E14 M22 C25 M26	L6-A10 PolarHBondContact O-N 3.15Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A10-E14 PolarHBondContact O-N 2.75Å; A10-M22 HydrophobicContact CB-CG 4.03Å; A10-C25 HydrophobicContact CB-CB 3.97Å; A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å
11	K	98.4	Very high	96.4	Very high	42 Å²	42	77.7 Å²	77.7	18%	0.183	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-39	175.6	-67.7	-179.2	-175.3	-174.2	0	112.8	V7 Q8 K9 E14 Q15 E39 L43	V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; Q8-K11 PolarHBondContact O-N 3.46Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K11-E14 PolarHBondContact O-N 3.35Å; K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å
12	L	98.5	Very high	97.6	Very high	112 Å²	112	71.5 Å²	71.5	59%	0.586	35%	0.35	S	S	*	.	H	α-helix	trans	-66	-40.5	173.4	-70.9	171.4	0	0	0	111.7	Q8 K9 Q15 A16	Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å; K9-L12 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 3.08Å; L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å
13	A	98.5	Very high	97.9	Very high	9 Å²	9	67.8 Å²	67.8	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-39.3	176.6	0	0	0	0	0	111.9	K9 A10 A16 E17 R18 D21 M22	K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; A13-E17 PolarHBondContact O-N 2.91Å; A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A13-D21 HydrophobicContact CB-CB 3.99Å; A13-M22 HydrophobicContact CB-CB 3.97Å
14	E	98.2	Very high	98.1	Very high	69 Å²	69	68.6 Å²	68.6	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-49.5	173.4	-177.8	-179.8	-149.2	0	0	111.6	A10 K11 A16 E17 M22 L43	A10-E14 PolarHBondContact O-N 2.75Å; K11-E14 PolarHBondContact O-N 3.35Å; E14-A16 PolarHBondContact O-N 2.95Å; E14-E17 PolarHBondContact O-N 3.43Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å
15	Q	97.8	Very high	98.2	Very high	156 Å²	156	64.5 Å²	64.5	73%	0.729	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-26.3	177.7	-70.2	175.2	40.2	0	0	113.3	K11 L12	K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; L12-Q15 PolarHBondContact O-N 3.08Å
16	A	98	Very high	98.2	Very high	63 Å²	63	59.3 Å²	59.3	52%	0.521	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.5	175.9	0	0	0	0	0	113.2	L12 A13 E14 R18	L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; E14-A16 PolarHBondContact O-N 2.95Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å
17	E	97.7	Very high	98.3	Very high	144 Å²	144	61.1 Å²	61.1	67%	0.673	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27	-175.4	-56.3	-173.2	153.7	0	0	113.8	A13 E14 Y19	A13-E17 PolarHBondContact O-N 2.91Å; E14-E17 PolarHBondContact O-N 3.43Å; E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å
18	R	98.3	Very high	98.3	Very high	144 Å²	144	63.2 Å²	63.2	54%	0.543	32%	0.323	S	S	.	.			trans	-91	67.9	177.4	-65.8	-160	64.2	-174.2	-13.5	110.6	A13 A16 D20 D21 M22	A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; R18-M22 PolarHBondContact O-N 3.02Å
19	Y	98.4	Very high	98.3	Very high	51 Å²	51	58 Å²	58	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-27.3	-172.4	-57.5	-71.2	0	0	0	114.4	E17 M22 A23 V46 N50 V51	E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; Y19-V46 HydrophobicContact CE1-CG1 4.29Å; Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å
20	D	98.1	Very high	98.3	Very high	84 Å²	84	53.4 Å²	53.4	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-41.7	172.5	-62.9	-79.6	0	0	0	111.3	R18 A23 A24 R55	R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; D20-A23 PolarHBondContact O-N 3.43Å; D20-A24 PolarHBondContact O-N 2.85Å; D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å
21	D	98.3	Very high	98.3	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-40.1	175.2	-63.6	5.4	0	0	0	110.7	A13 R18 A24 C25	A13-D21 HydrophobicContact CB-CB 3.99Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; D21-A24 PolarHBondContact O-N 3.17Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å
22	M	98.3	Very high	98.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-45.6	175.4	-166	-169.7	-179.4	0	0	110.9	A10 A13 E14 R18 Y19 C25 M26 L43 V46 A47	A10-M22 HydrophobicContact CB-CG 4.03Å; A13-M22 HydrophobicContact CB-CB 3.97Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; R18-M22 PolarHBondContact O-N 3.02Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; M22-C25 PolarHBondContact O-N 2.71Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å
23	A	98.5	Very high	98	Very high	7 Å²	7	56.4 Å²	56.4	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-42.9	178.2	0	0	0	0	0	111.4	Y19 D20 C25 M26 K27 A47 Y48 V51	Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; D20-A23 PolarHBondContact O-N 3.43Å; A23-C25 PolarHBondContact O-N 3.4Å; A23-M26 PolarHBondContact O-N 2.86Å; A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; A23-A47 HydrophobicContact CB-CB 4.14Å; A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; A23-V51 HydrophobicContact CB-CG2 4.3Å
24	A	98.3	Very high	97.9	Very high	56 Å²	56	58.5 Å²	58.5	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-42	176.4	0	0	0	0	0	112.6	D20 D21 S28	D20-A24 PolarHBondContact O-N 2.85Å; D21-A24 PolarHBondContact O-N 3.17Å; A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å
25	C	98.5	Very high	97.8	Very high	19 Å²	19	58.7 Å²	58.7	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-48.9	175.2	-66.8	0	0	0	0	111.3	A10 D21 M22 A23 K27 S28 V29	A10-C25 HydrophobicContact CB-CB 3.97Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å; M22-C25 PolarHBondContact O-N 2.71Å; A23-C25 PolarHBondContact O-N 3.4Å; C25-K27 PolarHBondContact O-N 3.09Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å
26	M	98.6	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-28.9	-177.3	-67	-51.7	-54.1	0	0	113.3	A10 M22 A23 V29 T30 E40 L43 L44	A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; A23-M26 PolarHBondContact O-N 2.86Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å
27	K	98.5	Very high	97.8	Very high	49 Å²	49	51 Å²	51	21%	0.213	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-50.8	166.5	-177.8	172.5	-166.1	175.2	0	110.3	A23 C25 V29 T30 E31 D96 L100	A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; C25-K27 PolarHBondContact O-N 3.09Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å
28	S	98.3	Very high	97.7	Very high	53 Å²	53	48.1 Å²	48.1	37%	0.371	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-32.2	178.5	-57.6	0	0	0	0	113	A24 C25 Q32	A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; S28-Q32 WeakPolarHBondContact O-CG 3.4Å
29	V	98.4	Very high	97.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-46.5	172.6	169.8	0	0	0	0	110.9	K3 L6 V7 C25 M26 K27 E31 Q32 L36	K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; V29-E31 PolarHBondContact O-N 3.48Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; V29-L36 HydrophobicContact CG1-CD2 3.79Å
30	T	98.4	Very high	97.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-40.1	-177.4	-57.6	0	0	0	0	111.9	M26 K27 Q32 G33 L100 F104 L105	M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; T30-G33 PolarHBondContact O-N 2.97Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å
31	E	98	Very high	97.6	Very high	93 Å²	93	41.4 Å²	41.4	44%	0.435	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.1	179.9	-70.5	175.6	161.9	0	0	113.7	K27 V29 G33 L100 F104	K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; V29-E31 PolarHBondContact O-N 3.48Å; E31-G33 PolarHBondContact O-N 3.22Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å
32	Q	96.7	Very high	97.5	Very high	94 Å²	94	42 Å²	42	44%	0.439	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.4	168.8	-61.3	179.2	25.6	0	0	112.6	S28 V29 T30 A34	S28-Q32 WeakPolarHBondContact O-CG 3.4Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å
33	G	95.1	Very high	97.5	Very high	29 Å²	29	42.4 Å²	42.4	30%	0.299	24%	0.244	S	C	.	.			trans	80.1	0.5	170.1	0	0	0	0	0	116.1	T30 E31 N108	T30-G33 PolarHBondContact O-N 2.97Å; E31-G33 PolarHBondContact O-N 3.22Å; G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å
34	A	95.3	Very high	97.5	Very high	54 Å²	54	42.2 Å²	42.2	45%	0.446	24%	0.242	S	C	.	.	S	Bend	trans	-78.6	146.4	170.4	0	0	0	0	0	110.9	Q32 L36	Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å; A34-L36 PolarHBondContact O-N 3.37Å
35	E	97.4	Very high	97.5	Very high	73 Å²	73	41 Å²	41	34%	0.341	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-57.8	134.1	171.5	-173	170.7	-161.9	0	0	110.1	A109 S110	E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å
36	L	98	Very high	97.5	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-77.9	141.5	178.8	-60.6	-171.1	0	0	0	110.5	V29 A34 E40 R41 L44 L105	V29-L36 HydrophobicContact CG1-CD2 3.79Å; A34-L36 PolarHBondContact O-N 3.37Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.41Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å
37	S	97.1	Very high	97.5	Very high	51 Å²	51	42.4 Å²	42.4	36%	0.357	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-66.6	165.2	165.9	75.4	0	0	0	0	111	E39 E40 R41	S37-E39 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å
38	N	95.1	Very high	97.5	Very high	84 Å²	84	40.5 Å²	40.5	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-38.1	175.9	-73.6	-4.5	0	0	0	112.3	N42	N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å
39	E	96.6	Very high	97.5	Very high	107 Å²	107	44.6 Å²	44.6	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-47.9	176.4	-173.7	-179.2	-146.6	0	0	111.2	K11 S37 R41 N42 L43	K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; S37-E39 PolarHBondContact O-N 3.25Å; E39-R41 PolarHBondContact O-N 3.46Å; E39-N42 PolarHBondContact O-N 2.97Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å
40	E	98.1	Very high	97.5	Very high	20 Å²	20	47.3 Å²	47.3	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-41.9	180	-69.2	164.7	170.5	0	0	112	K3 V7 M26 L36 S37 N42 L43 L44	K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; E40-L43 PolarHBondContact O-N 2.81Å; E40-L44 PolarHBondContact O-N 2.9Å
41	R	97.9	Very high	97.5	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.038	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-45.6	173.2	178.1	-170.2	76.5	-171.5	1.5	111.4	L36 S37 E39 L44 S45 E113 F117 Y118	L36-R41 HydrophobicContact CB-CB 4.41Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3Å; R41-S45 PolarHBondContact O-N 3.27Å; R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; R41-Y118 HydrophobicContact CG-CE1 3.68Å
42	N	96.8	Very high	97.5	Very high	73 Å²	73	43.1 Å²	43.1	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-41.7	179.5	-70.9	-9.6	0	0	0	111.2	N38 E39 E40 L44 S45 V46	N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å; E39-N42 PolarHBondContact O-N 2.97Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; N42-L44 PolarHBondContact O-N 3.18Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å
43	L	98.4	Very high	97.6	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-47.5	174.1	-72.1	169.4	0	0	0	111.6	V7 K11 E14 M22 M26 E39 E40 S45 V46 A47	V7-L43 HydrophobicContact CG1-CD1 3.88Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å; E40-L43 PolarHBondContact O-N 2.81Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-V46 PolarHBondContact O-N 3.48Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å
44	L	98.6	Very high	97.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-44.8	176	179.9	73.8	0	0	0	111.3	M26 L36 E40 R41 N42 A47 Y48 L100 L105	M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; E40-L44 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 3Å; N42-L44 PolarHBondContact O-N 3.18Å; L44-A47 PolarHBondContact O-N 3.15Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å
45	S	98.3	Very high	97.9	Very high	31 Å²	31	41 Å²	41	22%	0.217	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-47.8	179.4	-171.2	0	0	0	0	112.3	R41 N42 L43 A47 K49	R41-S45 PolarHBondContact O-N 3.27Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å
46	V	98.3	Very high	97.9	Very high	48 Å²	48	39 Å²	39	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-44.5	177.8	169.3	0	0	0	0	111	Y19 M22 N42 L43 N50	Y19-V46 HydrophobicContact CE1-CG1 4.29Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 3.48Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å
47	A	98.6	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.9	-60.7	178.7	0	0	0	0	0	111.2	M22 A23 L43 L44 S45 K49 N50 V51	M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å; A23-A47 HydrophobicContact CB-CB 4.14Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.15Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; A47-K49 PolarHBondContact O-N 2.87Å; A47-N50 PolarHBondContact O-N 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å
48	Y	98.7	Very high	98	Very high	8 Å²	8	42.3 Å²	42.3	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-28.7	-174.5	-81.3	-74.4	0	0	0	113.1	A23 L44 V52 I93 V97 L100 Y125	A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; Y48-I93 HydrophobicContact CD1-CG2 4.16Å; Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å
49	K	98	Very high	98.1	Very high	140 Å²	140	40 Å²	40	61%	0.609	22%	0.219	S	C	*	.	H	α-helix	trans	-61.9	-43.7	173.8	179.3	-176	176	-173.7	0	111.1	S45 A47 G53 Y125	S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å; A47-K49 PolarHBondContact O-N 2.87Å; K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; K49-Y125 PolarHBondContact N-OH 3.25Å
50	N	98.3	Very high	98.2	Very high	58 Å²	58	39.5 Å²	39.5	31%	0.31	21%	0.213	S	C	.	.	H	α-helix	trans	-71.7	-42.8	179.1	-79.2	-72.7	0	0	0	112	Y19 V46 A47 G53 A54	Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å; A47-N50 PolarHBondContact O-N 3.28Å; N50-G53 PolarHBondContact O-N 3.45Å; N50-A54 PolarHBondContact O-N 3.23Å
51	V	98.4	Very high	98.2	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-50.2	177.3	173.8	0	0	0	0	111.3	Y19 A23 A47 R55 I93	Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å; A23-V51 HydrophobicContact CB-CG2 4.3Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å
52	V	98.4	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-37.1	178.8	77.6	0	0	0	0	111.8	Y48 A54 R55 R56 L90 I93 Y125 Y128	Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; V52-L90 HydrophobicContact CG2-CG 4.36Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å
53	G	98	Very high	98.2	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-43.9	177.9	0	0	0	0	0	112.4	K49 N50 R55 R56 S57	K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; N50-G53 PolarHBondContact O-N 3.45Å; G53-R55 PolarHBondContact O-N 3.28Å; G53-R56 PolarHBondContact O-N 2.89Å; G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å
54	A	98.2	Very high	98.2	Very high	51 Å²	51	41.7 Å²	41.7	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-45	176	0	0	0	0	0	112.1	N50 V52 S57 S58	N50-A54 PolarHBondContact O-N 3.23Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; A54-S57 PolarHBondContact O-N 3.2Å; A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å
55	R	98.4	Very high	98.1	Very high	60 Å²	60	45.5 Å²	45.5	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-41.1	178.2	-87.7	66.3	-178.2	-165.1	-3.4	111.8	D20 V51 V52 G53 S57 S58 W59 I86 E89 L90 I93	D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 3.28Å; R55-S57 PolarHBondContact O-N 3.23Å; R55-S58 PolarHBondContact O-N 3.5Å; R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R55-I93 HydrophobicContact CG-CD1 3.93Å
56	R	98	Very high	98.1	Very high	30 Å²	30	45 Å²	45	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-43.8	175.5	-73	178.3	74.4	-130.6	10.9	112.3	V52 G53 W59 R60 L90 Y128 E131	V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; G53-R56 PolarHBondContact O-N 2.89Å; R56-W59 PolarHBondContact O-N 2.87Å; R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å
57	S	98.3	Very high	97.9	Very high	69 Å²	69	49.6 Å²	49.6	48%	0.483	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-47.1	176.1	-66.9	0	0	0	0	111.6	G53 A54 R55 W59 R60 V61	G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å; A54-S57 PolarHBondContact O-N 3.2Å; R55-S57 PolarHBondContact O-N 3.23Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å
58	S	98.5	Very high	97.8	Very high	57 Å²	57	57.5 Å²	57.5	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-45	174.8	-63.3	0	0	0	0	111.9	A54 R55 R60 V61 V62	A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å; R55-S58 PolarHBondContact O-N 3.5Å; S58-R60 PolarHBondContact O-N 2.88Å; S58-V61 PolarHBondContact O-N 2.86Å; S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å
59	W	98.4	Very high	97.6	Very high	37 Å²	37	58.3 Å²	58.3	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-45.7	178.9	178.1	80.6	0	0	0	112.3	R55 R56 S57 V61 V62 S63 I86 E87 E131 V132	R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R56-W59 PolarHBondContact O-N 2.87Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; W59-V61 PolarHBondContact O-N 2.87Å; W59-V62 PolarHBondContact O-N 3.33Å; W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å
60	R	97.8	Very high	97.2	Very high	96 Å²	96	59.3 Å²	59.3	36%	0.362	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177.4	-73.1	-174.4	-178.2	106.3	-3.6	112.5	R56 S57 S58 S64 E131	R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; S57-R60 PolarHBondContact O-N 3.03Å; S58-R60 PolarHBondContact O-N 2.88Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å
61	V	98.3	Very high	96.8	Very high	88 Å²	88	60.1 Å²	60.1	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-48.9	178.4	171.5	0	0	0	0	110.5	S57 S58 W59 S64 I65	S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å; S58-V61 PolarHBondContact O-N 2.86Å; W59-V61 PolarHBondContact O-N 2.87Å; V61-S64 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å
62	V	98.2	Very high	96.6	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-37.9	-178	179.1	0	0	0	0	111.4	S58 W59 S64 I65 E66 A79 Y82 R83 I86	S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å; W59-V62 PolarHBondContact O-N 3.33Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; V62-E66 PolarHBondContact O-N 3.41Å; V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; V62-R83 HydrophobicContact CG1-CB 3.93Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å
63	S	96.9	Very high	96.4	Very high	17 Å²	17	69.6 Å²	69.6	12%	0.119	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-41.5	174	-59	0	0	0	0	111.7	W59 I65 E66 Q67 R83	W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; S63-E66 PolarHBondContact O-N 3.36Å; S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å
64	S	97.6	Very high	96.3	Very high	39 Å²	39	76.6 Å²	76.6	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-64.8	-36.9	173.8	-175	0	0	0	0	112.4	R60 V61 V62 K68	R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; V61-S64 PolarHBondContact O-N 3.43Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å
65	I	97.5	Very high	96.2	Very high	84 Å²	84	80.9 Å²	80.9	43%	0.431	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-42.8	175	-67.7	165.5	0	0	0	111	V61 V62 S63 Q67 K68 T69 A79	V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; I65-A79 HydrophobicContact CG2-CB 4.2Å
66	E	96.7	Very high	96.2	Very high	21 Å²	21	80.1 Å²	80.1	10%	0.098	42%	0.417	C	S	.	.	H	α-helix	trans	-57.6	-47.1	175.9	-175.8	-178.8	174.6	0	0	110.7	V62 S63 T69 Q76 A79 R80 R83	V62-E66 PolarHBondContact O-N 3.41Å; S63-E66 PolarHBondContact O-N 3.36Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; E66-Q76 HydrophobicContact CG-CG 4.04Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å
67	Q	95.6	Very high	96.1	Very high	143 Å²	143	82.7 Å²	82.7	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-61.5	-45.5	176.7	-71.2	174.2	-8.6	0	0	112.2	S63 I65 T69 E70	S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; Q67-T69 PolarHBondContact O-N 3.29Å; Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å
68	K	96.4	Very high	96.1	Very high	167 Å²	167	84.9 Å²	84.9	73%	0.726	44%	0.435	S	S	*	.	H	α-helix	trans	-71.9	-11.6	-179.2	-71.7	171.3	-178.2	167.4	0	114.4	S64 I65	S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å; I65-K68 PolarHBondContact O-N 3.42Å
69	T	93.9	Very high	96.1	Very high	25 Å²	25	82.7 Å²	82.7	15%	0.153	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	12.3	177.9	51.4	0	0	0	0	112.7	I65 E66 Q67 G71 A72 K75 Q76	I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; Q67-T69 PolarHBondContact O-N 3.29Å; T69-G71 PolarHBondContact O-N 3.35Å; T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; T69-K75 HydrophobicContact CG2-CB 4.03Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å
70	E	88.8	Confident	96	Very high	161 Å²	161	85.3 Å²	85.3	75%	0.752	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.8	170.8	-169.7	171.1	-160.8	0	0	111.2	Q67 A72	Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å
71	G	91.3	Very high	96	Very high	75 Å²	75	85.8 Å²	85.8	77%	0.773	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-12.2	-172.8	0	0	0	0	0	115.2	T69	T69-G71 PolarHBondContact O-N 3.35Å
72	A	94.5	Very high	96	Very high	40 Å²	40	87.7 Å²	87.7	33%	0.331	43%	0.434	S	S	.	.			trans	-106	71.9	171.8	0	0	0	0	0	110.7	T69 E70 K74 K75 Q76	T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; A72-Q76 PolarHBondContact O-N 2.77Å
73	E	93.8	Very high	96	Very high	166 Å²	166	89.2 Å²	89.2	78%	0.776	44%	0.439	S	S	*	.	H	α-helix	trans	-40.7	-52	-168.7	-65.9	-179.1	173.7	0	0	114.5	K75 Q76 Q77	E73-K75 PolarHBondContact O-N 2.71Å; E73-Q76 PolarHBondContact O-N 2.89Å; E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å
74	K	96	Very high	96.1	Very high	169 Å²	169	92.6 Å²	92.6	74%	0.735	45%	0.453	S	S	*	.	H	α-helix	trans	-63.1	-40.9	-179.1	-174.1	176.1	-179.4	178	0	112.8	A72 M78	A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å
75	K	95.8	Very high	96.1	Very high	142 Å²	142	96.3 Å²	96.3	62%	0.617	46%	0.464	S	S	*	.	H	α-helix	trans	-71	-41.7	179.1	-70.9	-176.1	176.9	178.7	0	110.8	T69 A72 E73 M78 A79	T69-K75 HydrophobicContact CG2-CB 4.03Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; E73-K75 PolarHBondContact O-N 2.71Å; K75-M78 PolarHBondContact O-N 3.14Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å
76	Q	97.1	Very high	96.1	Very high	44 Å²	44	92.5 Å²	92.5	21%	0.206	44%	0.444	C	S	.	.	H	α-helix	trans	-61.9	-44.4	177.1	-168.2	177.2	25.7	0	0	111.2	E66 T69 A72 E73 M78 A79 R80	E66-Q76 HydrophobicContact CG-CG 4.04Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å; A72-Q76 PolarHBondContact O-N 2.77Å; E73-Q76 PolarHBondContact O-N 2.89Å; Q76-M78 PolarHBondContact O-N 3.4Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å
77	Q	97.5	Very high	96.2	Very high	84 Å²	84	92.4 Å²	92.4	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-61.1	-45.1	176.3	-177.4	59.4	27.9	0	0	112	E73 A79 R80 E81	E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å
78	M	97.7	Very high	96.3	Very high	115 Å²	115	88.8 Å²	88.8	57%	0.567	43%	0.432	S	S	*	.	H	α-helix	trans	-61.8	-39.9	176	-71.3	174.6	66.9	0	0	112.4	K74 K75 Q76 Y82	K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å; K75-M78 PolarHBondContact O-N 3.14Å; Q76-M78 PolarHBondContact O-N 3.4Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å
79	A	97.8	Very high	96.4	Very high	10 Å²	10	83.7 Å²	83.7	8%	0.083	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-42.3	176.7	0	0	0	0	0	111.3	V62 I65 E66 K75 Q76 Q77 Y82 R83	V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; I65-A79 HydrophobicContact CG2-CB 4.2Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å
80	R	97.6	Very high	96.6	Very high	93 Å²	93	82.5 Å²	82.5	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-52.4	175.8	-178.8	176.6	-63.8	176.1	2.7	112.4	E66 Q76 Q77 Y82 R83 E84	E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; R80-Y82 PolarHBondContact O-N 2.95Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å
81	E	98.1	Very high	97	Very high	106 Å²	106	79.2 Å²	79.2	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-39.2	179.4	-73.3	170.2	-172.1	0	0	111.3	Q77 K85	Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å; E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å
82	Y	98.2	Very high	97.3	Very high	127 Å²	127	80 Å²	80	50%	0.498	37%	0.371	S	S	.	.	H	α-helix	trans	-72.8	-36.3	177.3	-164.5	-123.4	0	0	0	112.6	V62 M78 A79 R80 K85 I86	V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; R80-Y82 PolarHBondContact O-N 2.95Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å
83	R	97.8	Very high	97.5	Very high	46 Å²	46	79.2 Å²	79.2	17%	0.174	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-51.1	171.6	-178.9	-176.9	53.9	78.2	5.4	110.4	V62 S63 E66 A79 R80 K85 I86 E87	V62-R83 HydrophobicContact CG1-CB 3.93Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å
84	E	97.5	Very high	97.7	Very high	87 Å²	87	71.3 Å²	71.3	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-35.2	-178.9	-71.6	172	-177.1	0	0	112.4	R80 E87 T88	R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å; E84-E87 PolarHBondContact O-N 3.23Å; E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å
85	K	98.4	Very high	97.8	Very high	117 Å²	117	66.9 Å²	66.9	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-48.5	170.5	-179	-179	174.6	-179.1	0	111.5	E81 Y82 R83 E87 T88 E89	E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å
86	I	98.3	Very high	98	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-38	179.5	-62.1	163.1	0	0	0	110.9	R55 W59 V62 Y82 R83 T88 E89 L90	R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; I86-E89 PolarHBondContact O-N 3.37Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å
87	E	97.7	Very high	98	Very high	20 Å²	20	61.3 Å²	61.3	9%	0.093	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-38	175.1	-69.8	175.5	172.7	0	0	112.2	W59 R83 E84 K85 R91 V132	W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å
88	T	97.8	Very high	98.1	Very high	66 Å²	66	57.6 Å²	57.6	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-49.3	174.7	-56.8	0	0	0	0	110.9	E84 K85 I86 L90 R91 D92	E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; T88-R91 PolarHBondContact O-N 3.46Å; T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å
89	E	98.2	Very high	98.1	Very high	61 Å²	61	53.7 Å²	53.7	29%	0.285	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-44.8	175.8	-66.7	176.9	-163.5	0	0	111.9	R55 K85 I86 R91 D92 I93	R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å; I86-E89 PolarHBondContact O-N 3.37Å; E89-R91 PolarHBondContact O-N 2.94Å; E89-D92 PolarHBondContact O-N 3.41Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å
90	L	98	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-44.1	178.1	-173.3	153.7	0	0	0	111.2	V52 R55 R56 I86 T88 I93 C94 L129 V132	V52-L90 HydrophobicContact CG2-CG 4.36Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; L90-I93 PolarHBondContact O-N 3.45Å; L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; L90-L129 HydrophobicContact CD2-CD2 4.48Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å
91	R	97.8	Very high	98.2	Very high	92 Å²	92	49 Å²	49	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-44.2	178	-174.7	-177.6	-57	99.8	3.2	111.4	E87 T88 E89 C94 N95 L129	E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; T88-R91 PolarHBondContact O-N 3.46Å; E89-R91 PolarHBondContact O-N 2.94Å; R91-C94 PolarHBondContact O-N 3.28Å; R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å
92	D	98.3	Very high	98.3	Very high	92 Å²	92	47.9 Å²	47.9	49%	0.492	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-46.6	178.6	-67.3	-17.2	0	0	0	111.1	T88 E89 C94 N95 D96	T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å; E89-D92 PolarHBondContact O-N 3.41Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; D92-N95 PolarHBondContact O-N 2.86Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å
93	I	98.4	Very high	98.3	Very high	22 Å²	22	48.4 Å²	48.4	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-45.3	176	-66.6	156.2	0	0	0	111	Y48 V51 V52 R55 E89 L90 D96 V97	Y48-I93 HydrophobicContact CD1-CG2 4.16Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; R55-I93 HydrophobicContact CG-CD1 3.93Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å; L90-I93 PolarHBondContact O-N 3.45Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å
94	C	98.5	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-44.6	-179.1	-65.6	0	0	0	0	111.7	L90 R91 D92 D96 V97 L98 Y125 L129	L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; R91-C94 PolarHBondContact O-N 3.28Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; C94-V97 PolarHBondContact O-N 3Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å
95	N	98.3	Very high	98.3	Very high	77 Å²	77	44.9 Å²	44.9	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-34.9	178.7	-74.9	-25.9	0	0	0	112.5	R91 D92 L98 S99	R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; D92-N95 PolarHBondContact O-N 2.86Å; N95-L98 PolarHBondContact O-N 2.93Å; N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å
96	D	98.2	Very high	98.3	Very high	67 Å²	67	40.8 Å²	40.8	36%	0.358	20%	0.201	S	C	.	.	H	α-helix	trans	-58.2	-50.5	172	-100.7	1.9	0	0	0	111.3	K27 D92 I93 C94 S99 L100	K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; D96-S99 PolarHBondContact O-N 3.02Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å
97	V	98.5	Very high	98.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-45.6	178.2	172.6	0	0	0	0	111.9	Y48 I93 C94 S99 L100 L101 M121 Y125	Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å; C94-V97 PolarHBondContact O-N 3Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; V97-M121 HydrophobicContact CG1-CE 3.69Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å
98	L	98.8	Very high	98.2	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-42.1	178.8	-70.2	170.5	0	0	0	110.9	C94 N95 L100 L101 E102 K122 Y126 L129	C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; N95-L98 PolarHBondContact O-N 2.93Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; L98-K122 HydrophobicContact CD2-CG 3.9Å; L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å
99	S	98.7	Very high	98.2	Very high	34 Å²	34	44.6 Å²	44.6	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-40.7	174	174.5	0	0	0	0	112.1	N95 D96 V97 K103	N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å; D96-S99 PolarHBondContact O-N 3.02Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å
100	L	98.8	Very high	98.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-44	175.5	-67.8	175.8	0	0	0	112.1	K27 T30 E31 L44 Y48 D96 V97 L98 F104 L105	K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å
101	L	98.8	Very high	98.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.268	C	S	.	.	I	π-helix	trans	-60.9	-47.5	179.4	-72.2	167.1	0	0	0	111.4	V97 L98 L105 I106 Y118 M121 K122	V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; L101-K122 HydrophobicContact CD1-CB 3.99Å
102	E	98.4	Very high	98	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.393	26%	0.263	S	S	.	.	I	π-helix	trans	-76	-35.2	-174.9	-68.8	-178.5	155.8	0	0	113.5	L98 P107 K122	L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å
103	K	98.3	Very high	98	Very high	137 Å²	137	46.8 Å²	46.8	60%	0.596	25%	0.252	S	S	*	.	I	π-helix	trans	-90.1	-33.2	-175.2	-66.2	174.8	-176.6	160.2	0	113.8	S99	S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å
104	F	98.4	Very high	97.9	Very high	51 Å²	51	45.9 Å²	45.9	22%	0.224	25%	0.248	C	C	.	.	I	π-helix	trans	-125.8	-38.9	-168.1	-56.6	-79.9	0	0	0	113.9	T30 E31 L100 N108	T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å
105	L	98.6	Very high	97.9	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	26%	0.263	C	S	.	.	I	π-helix	trans	-90.8	-54.3	-167.8	-59.4	166	0	0	0	112.9	T30 L36 L44 L100 L101 N108 A109 Y118	T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 2.95Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å
106	I	98.4	Very high	97.9	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-45.1	-179.6	-63.6	168	0	0	0	111.3	L101 N108 A109 L119 K122	L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; I106-A109 PolarHBondContact O-N 2.88Å; I106-L119 HydrophobicContact CD1-CD2 4.06Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å
107	P	97.7	Very high	98	Very high	85 Å²	85	43.8 Å²	43.8	55%	0.552	23%	0.232	S	C	*	.	H	α-helix	trans	-65.7	-30	179.3	-23.1	35.1	0	0	0	114.4	E102	E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å
108	N	96.3	Very high	98	Very high	67 Å²	67	43.7 Å²	43.7	36%	0.358	23%	0.232	S	C	.	.	H	α-helix	trans	-96.6	-0.3	-177.6	-65.7	-37.3	0	0	0	113.7	G33 F104 L105 I106 S110	G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å; L105-N108 PolarHBondContact O-N 2.95Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å
109	A	97.4	Very high	98	Very high	19 Å²	19	43.6 Å²	43.6	16%	0.157	23%	0.231	C	C	.	.			trans	-70.9	108.8	178.7	0	0	0	0	0	110.6	E35 L105 I106 K115 Y118	E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; I106-A109 PolarHBondContact O-N 2.88Å; A109-K115 HydrophobicContact CB-CB 4.14Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å
110	S	96.2	Very high	98	Very high	79 Å²	79	43.7 Å²	43.7	55%	0.552	23%	0.227	S	C	*	.			trans	-83.6	-28.2	-179.7	64.5	0	0	0	0	112.9	E35 N108	E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å
111	Q	96.4	Very high	98	Very high	124 Å²	124	44 Å²	44	58%	0.579	23%	0.229	S	C	*	.	S	Bend	trans	-99.7	143.7	-178.9	-57.8	-56.7	-40.8	0	0	112	E113 S114 K115	Q111-E113 PolarHBondContact O-N 3.49Å; Q111-S114 PolarHBondContact O-N 2.86Å; Q111-K115 PolarHBondContact O-N 2.92Å
112	A	96.9	Very high	98	Very high	30 Å²	30	45.5 Å²	45.5	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-40.3	175.3	0	0	0	0	0	111.7	K115 V116 I155 E159	A112-K115 PolarHBondContact O-N 2.96Å; A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; A112-I155 HydrophobicContact CB-CG2 4.2Å; A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å
113	E	97	Very high	98	Very high	57 Å²	57	41.5 Å²	41.5	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-51.8	177.2	-170.3	-163.6	121.6	0	0	112.1	R41 Q111 K115 V116 F117 M160 H164 I166	R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; Q111-E113 PolarHBondContact O-N 3.49Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; E113-M160 HydrophobicContact CG-CE 4.38Å; E113-H164 IonicContact OE2-NE2 2.75Å; E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å
114	S	98	Very high	98	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-40.6	177.9	-68.4	0	0	0	0	111.5	Q111 F117 Y118	Q111-S114 PolarHBondContact O-N 2.86Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å
115	K	98.4	Very high	98	Very high	71 Å²	71	33.3 Å²	33.3	31%	0.309	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-46.1	177.9	-171.2	170.4	177.9	-175.9	0	111.9	A109 Q111 A112 E113 F117 Y118 L119 E151 I155	A109-K115 HydrophobicContact CB-CB 4.14Å; Q111-K115 PolarHBondContact O-N 2.92Å; A112-K115 PolarHBondContact O-N 2.96Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; K115-F117 VanDerWaalsContact C-N 3.34Å; K115-Y118 PolarHBondContact O-N 3.21Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; K115-E151 IonicContact NZ-OE1 2.78Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å
116	V	98.7	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-42	175.6	175.2	0	0	0	0	110.7	A112 E113 Y118 L119 K120 A152 I155 M160 I166 L170	A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; E113-V116 PolarHBondContact O-N 3.43Å; V116-Y118 PolarHBondContact O-N 3.34Å; V116-L119 PolarHBondContact O-N 2.95Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; V116-A152 HydrophobicContact CG1-CB 4.34Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; V116-L170 HydrophobicContact CG1-CD2 4.06Å
117	F	98.6	Very high	98	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-49.8	176.8	-172.2	-80	0	0	0	111.8	R41 E113 S114 K115 M121 I166	R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; K115-F117 VanDerWaalsContact C-N 3.34Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å
118	Y	98.8	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-37.9	-178.9	-62.5	-45.2	0	0	0	113	R41 L101 L105 A109 S114 K115 V116 M121 K122	R41-Y118 HydrophobicContact CG-CE1 3.68Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å; K115-Y118 PolarHBondContact O-N 3.21Å; V116-Y118 PolarHBondContact O-N 3.34Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å
119	L	98.9	Very high	98.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-67.5	-40.7	175.5	-73.5	167.5	0	0	0	111.9	I106 K115 V116 M121 K122 G123 E151 A152 I155	I106-L119 HydrophobicContact CD1-CD2 4.06Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; V116-L119 PolarHBondContact O-N 2.95Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; L119-G123 PolarHBondContact O-N 3.01Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; L119-A152 HydrophobicContact CB-CB 3.66Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å
120	K	98.7	Very high	98.1	Very high	37 Å²	37	27 Å²	27	16%	0.161	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-47.7	170.4	177.8	-168.2	168.7	-67.1	0	110.5	V116 K122 G123 D124 G169 L170 N173	V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; K120-K122 PolarHBondContact O-N 3.14Å; K120-G123 PolarHBondContact O-N 3.06Å; K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; K120-G169 WeakPolarHBondContact CE-O 3.46Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å
121	M	98.7	Very high	98.1	Very high	8 Å²	8	25 Å²	25	4%	0.039	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-45.2	176.8	-165.4	175.6	177.3	0	0	110.7	V97 L101 F117 Y118 L119 G123 D124 Y125	V97-M121 HydrophobicContact CG1-CE 3.69Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å
122	K	98.9	Very high	98	Very high	33 Å²	33	19.6 Å²	19.6	14%	0.143	9%	0.093	C	C	.	.	H	α-helix	trans	-55	-47.1	174.7	-174.1	175.4	-177.1	169.7	0	111.6	L98 L101 E102 I106 Y118 L119 K120 D124 Y125 Y126 A148	L98-K122 HydrophobicContact CD2-CG 3.9Å; L101-K122 HydrophobicContact CD1-CB 3.99Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; K120-K122 PolarHBondContact O-N 3.14Å; K122-D124 PolarHBondContact O-N 3.46Å; K122-Y125 PolarHBondContact O-N 3.49Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å
123	G	98.8	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.9	-45.1	174.4	0	0	0	0	0	112.7	L119 K120 M121 Y126 R127 S145	L119-G123 PolarHBondContact O-N 3.01Å; K120-G123 PolarHBondContact O-N 3.06Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; G123-Y126 PolarHBondContact O-N 3.35Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; G123-S145 PolarHBondContact O-OG 3.35Å
124	D	98.8	Very high	97.2	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-46.9	177.6	-69.5	-34.2	0	0	0	112.4	K120 M121 K122 R127 Y128 Y149 N173	K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; K122-D124 PolarHBondContact O-N 3.46Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å
125	Y	98.7	Very high	96.6	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-72.1	-35.6	-177.9	-79.4	-86.2	0	0	0	112.9	Y48 K49 V52 C94 V97 M121 K122 R127 Y128 L129	Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å; K49-Y125 PolarHBondContact N-OH 3.25Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å
126	Y	98.7	Very high	95.7	Very high	31 Å²	31	27.2 Å²	27.2	12%	0.122	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-35.2	168.3	-79.4	-63.3	0	0	0	112.5	L98 K122 G123 Y128 L129 A130 I141 Q144	L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; G123-Y126 PolarHBondContact O-N 3.35Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å
127	R	98.4	Very high	95	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.045	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-42.8	173.7	171	167.4	72.2	88.5	3.7	111.6	G123 D124 Y125 L129 A130 E131 S145 Y149 F177 E180 I181	G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; R127-E131 PolarHBondContact O-N 3.12Å; R127-S145 PolarHBondContact N-OG 2.91Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å
128	Y	98.2	Very high	94.8	Very high	25 Å²	25	35.9 Å²	35.9	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-37.2	175.5	-54.9	-32.2	0	0	0	112.3	V52 R56 D124 Y125 Y126 E131	V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å
129	L	97.8	Very high	94.6	Very high	9 Å²	9	43 Å²	43	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-42	171	-72.5	174.8	0	0	0	111.7	L90 R91 C94 L98 Y125 Y126 R127 E131 V132 A133 I141	L90-L129 HydrophobicContact CD2-CD2 4.48Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å
130	A	97	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-31.6	-179.7	0	0	0	0	0	112.7	Y126 R127 V132 K138 I141 V142 I181	Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å; A130-K138 WeakPolarHBondContact O-CE 3.39Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A130-V142 HydrophobicContact CB-CG2 3.85Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å
131	E	95.5	Very high	94.3	Very high	37 Å²	37	44.7 Å²	44.7	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-36.7	176	-175.8	176.1	-163.8	0	0	111.9	R56 W59 R60 R127 Y128 L129 I181	R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å; R127-E131 PolarHBondContact O-N 3.12Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; E131-I181 HydrophobicContact CB-CD1 4.48Å
132	V	94.8	Very high	94.3	Very high	11 Å²	11	45 Å²	45	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-105.3	-5.6	-177.6	-54	0	0	0	0	114.1	W59 E87 L90 L129 A130	W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å
133	A	92.8	Very high	94.2	Very high	17 Å²	17	47.1 Å²	47.1	14%	0.14	27%	0.274	C	S	.	.			trans	-73.6	143.2	-178.9	0	0	0	0	0	111.6	L129 K138 I141	L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; A133-I141 HydrophobicContact CB-CD1 3.76Å
134	A	84.3	Confident	94.2	Very high	84 Å²	84	50.3 Å²	50.3	69%	0.694	29%	0.288	S	S	*	.			trans	-125.5	155.7	174.4	0	0	0	0	0	110.5
135	G	84.6	Confident	94.2	Very high	64 Å²	64	49.9 Å²	49.9	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-153.8	176.4	0	0	0	0	0	114.3	D137 K138	G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å
136	D	80.1	Confident	94.2	Very high	158 Å²	158	52.6 Å²	52.6	85%	0.845	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.4	-170.3	-65.3	-30.7	0	0	0	113.5	K138 K139	D136-K138 PolarHBondContact O-N 3.16Å; D136-K139 PolarHBondContact O-N 3.33Å
137	D	84.8	Confident	94.2	Very high	125 Å²	125	56.7 Å²	56.7	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-28.1	178.1	-69.6	-19.1	0	0	0	112.2	G135 K139 G140 I141	G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-G140 PolarHBondContact O-N 2.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å
138	K	92.9	Very high	94.2	Very high	85 Å²	85	56.3 Å²	56.3	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-40.9	-178.2	-174.4	171.3	-174.6	166.6	0	111.7	A130 A133 G135 D136 G140 I141 V142	A130-K138 WeakPolarHBondContact O-CE 3.39Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å; D136-K138 PolarHBondContact O-N 3.16Å; K138-G140 PolarHBondContact O-N 3.36Å; K138-I141 PolarHBondContact O-N 2.79Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å
139	K	94.1	Very high	94.2	Very high	150 Å²	150	55.1 Å²	55.1	65%	0.652	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-47.3	-177.3	-175.2	178	177.5	-178.6	0	111.6	D136 D137 I141 V142 D143	D136-K139 PolarHBondContact O-N 3.33Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; K139-V142 PolarHBondContact O-N 2.71Å; K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å
140	G	95.4	Very high	94.3	Very high	40 Å²	40	57.9 Å²	57.9	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-39.7	178.3	0	0	0	0	0	112.6	D137 K138 D143 Q144	D137-G140 PolarHBondContact O-N 2.76Å; K138-G140 PolarHBondContact O-N 3.36Å; G140-D143 PolarHBondContact O-N 3.49Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å
141	I	97.5	Very high	94.4	Very high	34 Å²	34	61.6 Å²	61.6	17%	0.174	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-43.5	176.7	-65.9	167.2	0	0	0	111.2	Y126 L129 A130 A133 D137 K138 K139 Q144 S145	Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A133-I141 HydrophobicContact CB-CD1 3.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å; K138-I141 PolarHBondContact O-N 2.79Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; I141-Q144 PolarHBondContact O-N 3.37Å; I141-S145 PolarHBondContact O-N 3.17Å
142	V	98	Very high	94.5	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-45.2	176.9	171	0	0	0	0	110.9	A130 K138 K139 Q144 S145 Q146 F177 I181 L182	A130-V142 HydrophobicContact CB-CG2 3.85Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å; K139-V142 PolarHBondContact O-N 2.71Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; V142-Q146 PolarHBondContact O-N 3.1Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å
143	D	97.6	Very high	94.7	Very high	78 Å²	78	60.4 Å²	60.4	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-41.6	178.2	-70	-18.4	0	0	0	111.3	K139 G140 Q146 Q147	K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å; G140-D143 PolarHBondContact O-N 3.49Å; D143-Q146 PolarHBondContact O-N 3.33Å; D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å
144	Q	98.3	Very high	95	Very high	66 Å²	66	63.4 Å²	63.4	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.6	-71.8	-60.2	-47.9	0	0	112.6	Y126 G140 I141 V142 Q147 A148	Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å; I141-Q144 PolarHBondContact O-N 3.37Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; Q144-Q147 PolarHBondContact O-N 3.15Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å
145	S	98.6	Very high	95.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-49.2	175.4	-172.8	0	0	0	0	110.9	G123 R127 I141 V142 Q147 A148 Y149 F177	G123-S145 PolarHBondContact O-OG 3.35Å; R127-S145 PolarHBondContact N-OG 2.91Å; I141-S145 PolarHBondContact O-N 3.17Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; S145-Q147 PolarHBondContact O-N 3.5Å; S145-A148 PolarHBondContact O-N 3.35Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å
146	Q	98.6	Very high	96.3	Very high	64 Å²	64	57.9 Å²	57.9	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-43.8	179.4	-173.7	172.6	-0	0	0	112	V142 D143 A148 Y149 Q150 F177	V142-Q146 PolarHBondContact O-N 3.1Å; D143-Q146 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.43Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å
147	Q	98.7	Very high	97.1	Very high	116 Å²	116	55 Å²	55	54%	0.542	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-46.6	178.6	-176.5	179.6	7.4	0	0	111.4	D143 Q144 S145 Q150 E151	D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å; Q144-Q147 PolarHBondContact O-N 3.15Å; S145-Q147 PolarHBondContact O-N 3.5Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å
148	A	98.8	Very high	97.7	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-43.5	180	0	0	0	0	0	112.1	K122 Q144 S145 Q146 A152	K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å; S145-A148 PolarHBondContact O-N 3.35Å; Q146-A148 PolarHBondContact O-N 3.43Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å
149	Y	98.9	Very high	97.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-42.2	175.2	-74.8	-53.2	0	0	0	112.5	D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177	D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Y149-A152 PolarHBondContact O-N 3.18Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å
150	Q	98.7	Very high	98	Very high	67 Å²	67	52.3 Å²	52.3	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-44.8	178.5	-169.7	66.5	47.3	0	0	111.1	Q146 Q147 A152 F153 E154	Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å
151	E	98.6	Very high	98	Very high	78 Å²	78	55.8 Å²	55.8	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-45	176.8	-168.8	-174.4	164.3	0	0	111.2	K115 L119 Q147 F153 E154 I155	K115-E151 IonicContact NZ-OE1 2.78Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 3.27Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å
152	A	98.8	Very high	98	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-41.9	174.5	0	0	0	0	0	111.4	V116 L119 A148 Y149 Q150 I155 S156 L170	V116-A152 HydrophobicContact CG1-CB 4.34Å; L119-A152 HydrophobicContact CB-CB 3.66Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å; Y149-A152 PolarHBondContact O-N 3.18Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; A152-I155 PolarHBondContact O-N 3.24Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å
153	F	98.4	Very high	97.9	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-43.9	-175.2	-166.2	-114.4	0	0	0	111.6	Y149 Q150 E151 I155 S156 K157 L170 F174 L191	Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å
154	E	98.3	Very high	97.9	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-40.5	175.9	-69.2	-51.8	135.2	0	0	112.8	Q150 E151 K158	Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å; E151-E154 PolarHBondContact O-N 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å
155	I	98.5	Very high	97.8	Very high	31 Å²	31	50.7 Å²	50.7	16%	0.159	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-47	176.2	-61.8	164.4	0	0	0	109.7	A112 K115 V116 L119 E151 A152 F153 K157 K158 E159	A112-I155 HydrophobicContact CB-CG2 4.2Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å; A152-I155 PolarHBondContact O-N 3.24Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å
156	S	98.3	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-35.6	-177.1	75.1	0	0	0	0	113.1	A152 F153 K158 M160	A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å
157	K	97.2	Very high	97.7	Very high	97 Å²	97	49.9 Å²	49.9	42%	0.422	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-31.5	177	-83.8	-174.9	161.4	-179.7	0	113.3	F153 I155	F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å
158	K	97.3	Very high	97.7	Very high	156 Å²	156	44.4 Å²	44.4	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-86.1	-38.1	-177.4	-67.7	173.3	-172.5	174.5	0	112.3	E154 I155 S156	E154-K158 WeakPolarHBondContact O-CG 3.2Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å
159	E	97.5	Very high	97.7	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	21%	0.211	S	C	*	.	H	α-helix	trans	-111.7	-6.6	-165	-57.3	-62.6	145.4	0	0	113.9	A112 I155	A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å
160	M	96.3	Very high	97.7	Very high	15 Å²	15	44.7 Å²	44.7	7%	0.074	21%	0.211	C	C	.	.	S	Bend	trans	-133.2	138.8	-171.6	-47.8	175.9	71.4	0	0	111.6	E113 V116 S156 H164 I166 R167	E113-M160 HydrophobicContact CG-CE 4.38Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å
161	Q	96	Very high	97.7	Very high	113 Å²	113	41.6 Å²	41.6	53%	0.528	20%	0.196	S	C	.	.			trans	-63.4	147.9	173.6	-69.7	179.9	-13.6	0	0	111.2	T163 H164 R167	Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å
162	P	97.2	Very high	97.7	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.104	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.4	175.5	-28.7	36.4	0	0	0	114.8	H164 L168 E198 E202	P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; P162-L168 WeakPolarHBondContact O-CG 3.26Å; P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; P162-E202 WeakPolarHBondContact CD-OE2 3.43Å
163	T	96.4	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.1	179.1	52.6	0	0	0	0	114	Q161 A199 E202 S214	Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å
164	H	96.1	Very high	97.7	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.222	19%	0.187	C	C	.	.			trans	-65.8	128	-176.4	-170.2	-56.4	0	0	0	111.3	E113 M160 Q161 P162 I166 R167 L168	E113-H164 IonicContact OE2-NE2 2.75Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; H164-L168 PolarHBondContact O-N 3.18Å
165	P	96.6	Very high	97.7	Very high	22 Å²	22	35.3 Å²	35.3	14%	0.143	17%	0.169	C	C	.	.	H	α-helix	trans	-52.6	-44.3	-175.6	-27.4	29.8	0	0	0	114.7	L168 G169 D213 S214 I217	P165-L168 PolarHBondContact O-N 2.83Å; P165-G169 PolarHBondContact O-N 3.05Å; P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å
166	I	97.6	Very high	97.7	Very high	22 Å²	22	34.7 Å²	34.7	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-39.5	177.2	-68.9	168.6	0	0	0	112.9	E113 V116 F117 M160 H164 G169 L170	E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; I166-G169 PolarHBondContact O-N 3.48Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å
167	R	98.1	Very high	97.7	Very high	24 Å²	24	34.7 Å²	34.7	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-45	176.6	177.3	176.3	167.7	171.3	-5.8	110.8	M160 Q161 H164 L170 A171 E198	M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; R167-A171 PolarHBondContact O-N 3.38Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å
168	L	98.5	Very high	97.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.9	-75.1	171.5	0	0	0	111.8	P162 H164 P165 L170 A171 L172 A199 I217 M218 L221	P162-L168 WeakPolarHBondContact O-CG 3.26Å; H164-L168 PolarHBondContact O-N 3.18Å; P165-L168 PolarHBondContact O-N 2.83Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L168-A171 PolarHBondContact O-N 3.4Å; L168-L172 PolarHBondContact O-N 3.24Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; L168-L221 HydrophobicContact CD2-CD1 3.98Å
169	G	98.4	Very high	97.8	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-32.7	178.5	0	0	0	0	0	112.7	K120 P165 I166 N173	K120-G169 WeakPolarHBondContact CE-O 3.46Å; P165-G169 PolarHBondContact O-N 3.05Å; I166-G169 PolarHBondContact O-N 3.48Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å
170	L	98.8	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-49.4	170.8	169.9	63.1	0	0	0	111.1	V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174	V116-L170 HydrophobicContact CG1-CD2 4.06Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L170-N173 PolarHBondContact O-N 3.23Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å
171	A	98.8	Very high	97.8	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-42.5	178	0	0	0	0	0	111.9	R167 L168 S175 A195	R167-A171 PolarHBondContact O-N 3.38Å; L168-A171 PolarHBondContact O-N 3.4Å; A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å
172	L	98.7	Very high	97.9	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.105	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-56.3	174.5	177.6	64.5	0	0	0	110.9	L168 L170 F174 S175 V176 I217 L220 L221 N224	L168-L172 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L172-F174 PolarHBondContact O-N 3.09Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å
173	N	98.6	Very high	97.8	Very high	29 Å²	29	28.4 Å²	28.4	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-175.7	-76	14.1	0	0	0	113.2	K120 D124 Y149 G169 L170 V176 F177	K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å; L170-N173 PolarHBondContact O-N 3.23Å; N173-V176 PolarHBondContact O-N 3.3Å; N173-F177 PolarHBondContact O-N 3.47Å
174	F	98.8	Very high	97.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-72	-33.5	178.3	-167.7	-167.6	0	0	0	111.7	Y149 F153 L170 L172 F177 Y178 L191	Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å; L172-F174 PolarHBondContact O-N 3.09Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å
175	S	98.6	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-41.2	171.3	70	0	0	0	0	111.8	A171 L172 F177 Y178 Y179 A188 W228	A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; S175-Y178 PolarHBondContact O-N 3.2Å; S175-Y179 PolarHBondContact O-N 3.42Å; S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; S175-W228 WeakPolarHBondContact OG-CH2 3.4Å
176	V	98.4	Very high	97.9	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-39	173.8	175.2	0	0	0	0	111.2	L172 N173 Y179 E180 W228	L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.3Å; V176-Y179 PolarHBondContact O-N 3.35Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å
177	F	98.7	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-47.8	172.5	170.8	-102.4	0	0	0	112.4	R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182	R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å; N173-F177 PolarHBondContact O-N 3.47Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å
178	Y	98.5	Very high	97.9	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.102	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-40.8	177	-79.4	-60.3	0	0	0	112	F174 S175 L182 N183 S184 K187 L191	F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; S175-Y178 PolarHBondContact O-N 3.2Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; Y178-N183 PolarHBondContact O-N 3Å; Y178-S184 PolarHBondContact O-N 3.49Å; Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å
179	Y	98.1	Very high	97.9	Very high	53 Å²	53	38.1 Å²	38.1	21%	0.208	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-62.4	179.5	-166.8	-98.1	0	0	0	112	S175 V176 F177 N183 P185 A188 W228 D231	S175-Y179 PolarHBondContact O-N 3.42Å; V176-Y179 PolarHBondContact O-N 3.35Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; Y179-D231 PolarHBondContact OH-OD2 3.03Å
180	E	96.1	Very high	97.8	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	21%	0.212	S	C	.	.	H	α-helix	trans	-77.9	-30.8	-167.9	-63.5	-177.6	163.2	0	0	113.6	R127 V176	R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å
181	I	97.1	Very high	97.8	Very high	29 Å²	29	42 Å²	42	15%	0.149	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-45.1	-172.1	-53.9	-55.8	0	0	0	112.3	R127 A130 E131 V142 F177	R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å; E131-I181 HydrophobicContact CB-CD1 4.48Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å
182	L	96.9	Very high	97.8	Very high	46 Å²	46	42 Å²	42	24%	0.241	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.7	-180	-68	-176	0	0	0	113.6	V142 F177 Y178 S184	V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å
183	N	96.1	Very high	97.8	Very high	142 Å²	142	46.4 Å²	46.4	76%	0.759	23%	0.234	S	C	*	.			trans	46.4	45.1	-177.4	-164.5	52.6	0	0	0	111.9	Y178 Y179 P185	Y178-N183 PolarHBondContact O-N 3Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å
184	S	97.4	Very high	97.8	Very high	24 Å²	24	47.8 Å²	47.8	17%	0.168	24%	0.244	C	C	.	.			trans	-121.7	69.5	-174.2	-64.9	0	0	0	0	109.9	Y178 L182 E186 K187 A188	Y178-S184 PolarHBondContact O-N 3.49Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å; S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; S184-A188 PolarHBondContact O-N 3.32Å
185	P	96.7	Very high	97.7	Very high	22 Å²	22	48.2 Å²	48.2	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-33.7	-174.1	24.4	-33.7	0	0	0	113	Y179 N183 K187 A188 C189 T232	Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-K187 PolarHBondContact O-N 3.31Å; P185-A188 PolarHBondContact O-N 2.93Å; P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å
186	E	96.4	Very high	97.7	Very high	136 Å²	136	49.9 Å²	49.9	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-41.6	178.5	-54.2	75.9	-166.1	0	0	111.1	S184 S190	S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å
187	K	97.7	Very high	97.7	Very high	120 Å²	120	52.4 Å²	52.4	52%	0.522	27%	0.268	S	S	.	.	H	α-helix	trans	-68.6	-41.1	176.1	-69.9	-176.9	-179.4	170.9	0	111.3	Y178 S184 P185 S190 L191	Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; P185-K187 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-N 3.04Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å
188	A	98.1	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-52.5	176.5	0	0	0	0	0	111	S175 Y179 S184 P185 L191 A192 W228	S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; S184-A188 PolarHBondContact O-N 3.32Å; P185-A188 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 3.01Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å
189	C	98.1	Very high	97.6	Very high	21 Å²	21	54.4 Å²	54.4	14%	0.142	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-44	178.5	-70.8	0	0	0	0	112	P185 L191 A192 K193 L225	P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; C189-A192 PolarHBondContact O-N 3.17Å; C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å
190	S	98	Very high	97.5	Very high	73 Å²	73	55.9 Å²	55.9	51%	0.51	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-44.3	177.2	-177.2	0	0	0	0	111.8	E186 K187 T194	E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å; K187-S190 PolarHBondContact O-N 3.04Å; S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å
191	L	98.4	Very high	97.5	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-49.7	179.5	178.1	62.2	0	0	0	111.5	F153 F174 Y178 K187 A188 C189 K193 T194 A195	F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å; A188-L191 PolarHBondContact O-N 3.01Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; L191-K193 PolarHBondContact O-N 2.89Å; L191-T194 PolarHBondContact O-N 3.26Å; L191-A195 PolarHBondContact O-N 3.41Å
192	A	98.4	Very high	97.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-42.7	-178.8	0	0	0	0	0	111.8	A188 C189 A195 F196 L221 L225 W228	A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; C189-A192 PolarHBondContact O-N 3.17Å; A192-A195 PolarHBondContact O-N 3.33Å; A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å
193	K	98.1	Very high	97.2	Very high	113 Å²	113	57.1 Å²	57.1	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-46	177.2	-175.1	178.4	-175.3	-61.1	0	111.6	C189 L191 A195 F196 D197 L225	C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; L191-K193 PolarHBondContact O-N 2.89Å; K193-A195 PolarHBondContact O-N 3.01Å; K193-F196 PolarHBondContact O-N 3.43Å; K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å
194	T	98.4	Very high	96.9	Very high	58 Å²	58	58.5 Å²	58.5	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-59.4	-47.9	177.9	-57.8	0	0	0	0	111	S190 L191 F196 D197 E198	S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å; L191-T194 PolarHBondContact O-N 3.26Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; T194-D197 PolarHBondContact O-N 2.92Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å
195	A	98.3	Very high	96.5	Very high	11 Å²	11	61.7 Å²	61.7	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-39.6	179.2	0	0	0	0	0	112.6	A171 L191 A192 K193 A199 L221	A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.41Å; A192-A195 PolarHBondContact O-N 3.33Å; K193-A195 PolarHBondContact O-N 3.01Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; A195-L221 HydrophobicContact CB-CD1 4.36Å
196	F	98	Very high	96	Very high	36 Å²	36	61.9 Å²	61.9	16%	0.158	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-47.4	176.7	-175.7	-99.3	0	0	0	112	A192 K193 T194 A199 I200 M218 L221 R222	A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; K193-F196 PolarHBondContact O-N 3.43Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; F196-A199 PolarHBondContact O-N 3.26Å; F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å
197	D	98.1	Very high	95.6	Very high	70 Å²	70	58.3 Å²	58.3	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-43.8	-179.6	-69.1	-15.4	0	0	0	111.4	K193 T194 A199 I200 A201	K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; T194-D197 PolarHBondContact O-N 2.92Å; D197-A199 PolarHBondContact O-N 3.22Å; D197-I200 PolarHBondContact O-N 2.96Å; D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å
198	E	97.6	Very high	95.1	Very high	67 Å²	67	61.4 Å²	61.4	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-43.1	175.4	-72.1	177.4	174.9	0	0	111.5	P162 R167 T194 A201 E202	P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å; E198-A201 PolarHBondContact O-N 3.49Å; E198-E202 PolarHBondContact O-N 3.42Å
199	A	97	Very high	94.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-72.5	-34.3	179.9	0	0	0	0	0	113.1	T163 L168 A195 F196 D197 A201 E202 L203 M218	T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; F196-A199 PolarHBondContact O-N 3.26Å; D197-A199 PolarHBondContact O-N 3.22Å; A199-A201 VanDerWaalsContact C-N 3.32Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å
200	I	96.3	Very high	94.1	Very high	85 Å²	85	70.4 Å²	70.4	44%	0.436	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-43.9	172.1	-79.8	-176	0	0	0	110.8	F196 D197 E202 L203 M218	F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; D197-I200 PolarHBondContact O-N 2.96Å; I200-E202 PolarHBondContact O-N 2.77Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å
201	A	96.4	Very high	93.8	Very high	88 Å²	88	72.7 Å²	72.7	73%	0.727	38%	0.383	S	S	*	.	H	α-helix	trans	-62.7	-24.8	-177.4	0	0	0	0	0	113.3	D197 E198 A199	D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å; E198-A201 PolarHBondContact O-N 3.49Å; A199-A201 VanDerWaalsContact C-N 3.32Å
202	E	95.3	Very high	93.6	Very high	75 Å²	75	79.4 Å²	79.4	35%	0.35	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	10.5	-179.6	-65.2	-173.3	-152.8	0	0	113	P162 T163 E198 A199 I200 D204 T205	P162-E202 WeakPolarHBondContact CD-OE2 3.43Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; E198-E202 PolarHBondContact O-N 3.42Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; I200-E202 PolarHBondContact O-N 2.77Å; E202-D204 PolarHBondContact O-N 2.94Å; E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å
203	L	92.3	Very high	93.4	Very high	40 Å²	40	83.6 Å²	83.6	21%	0.209	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.8	-173	-170.9	62.1	0	0	0	112.7	A199 I200 T205 L206 T215 M218	A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; L203-T205 PolarHBondContact O-N 2.94Å; L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L203-T215 HydrophobicContact CD1-CG2 4.16Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å
204	D	90.6	Very high	93.3	Very high	171 Å²	171	78.2 Å²	78.2	91%	0.914	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.2	179.3	-68.1	-24.8	0	0	0	113.4	E202	E202-D204 PolarHBondContact O-N 2.94Å
205	T	87.4	Confident	93.2	Very high	91 Å²	91	77.5 Å²	77.5	56%	0.558	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-91.2	-1.9	178.3	75.1	0	0	0	0	113.1	E202 L203	E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å; L203-T205 PolarHBondContact O-N 2.94Å
206	L	87.9	Confident	93.2	Very high	26 Å²	26	81.8 Å²	81.8	14%	0.136	43%	0.427	C	S	.	.			trans	-75.3	137.7	-171.9	-167.6	56.1	0	0	0	111.8	L203 Y211	L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å
207	S	87.2	Confident	93.2	Very high	60 Å²	60	81.4 Å²	81.4	42%	0.42	43%	0.426	S	S	.	.			trans	-70.4	151.8	174.1	69	0	0	0	0	111.5	E209 S210 Y211	S207-E209 PolarHBondContact O-N 3.08Å; S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å
208	E	87.1	Confident	93.2	Very high	185 Å²	185	78.5 Å²	78.5	86%	0.864	41%	0.41	S	S	*	.	H	α-helix	trans	-56.7	-35.6	176.9	-169.5	176.3	-179.7	0	0	112.2	Y211	E208-Y211 PolarHBondContact O-N 3.36Å
209	E	86.7	Confident	93.2	Very high	176 Å²	176	78.3 Å²	78.3	82%	0.822	41%	0.41	S	S	*	.	H	α-helix	trans	-63.5	-41.4	178.4	-174.2	177.7	-170.8	0	0	112.7	S207	S207-E209 PolarHBondContact O-N 3.08Å
210	S	89.7	Confident	93.3	Very high	35 Å²	35	81.9 Å²	81.9	25%	0.245	43%	0.428	C	S	.	.	H	α-helix	trans	-90.9	-11.5	-179.2	-66.8	0	0	0	0	113.6	S207 K212 D213 S214	S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S210-K212 PolarHBondContact O-N 3.45Å; S210-D213 PolarHBondContact O-N 3.45Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å
211	Y	91.4	Very high	93.4	Very high	120 Å²	120	77.9 Å²	77.9	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-57.2	-49.3	-173.1	-169.7	-91.2	0	0	0	112.5	L206 S207 E208 T215	L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å; E208-Y211 PolarHBondContact O-N 3.36Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å
212	K	93.8	Very high	93.4	Very high	160 Å²	160	79.2 Å²	79.2	70%	0.696	39%	0.394	S	S	*	.	H	α-helix	trans	-62.7	-47.2	-177.4	-175.3	-176.8	175.4	-172.8	0	112.4	S210 T215 L216	S210-K212 PolarHBondContact O-N 3.45Å; K212-T215 PolarHBondContact O-OG1 3.45Å; K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å
213	D	94.5	Very high	93.6	Very high	88 Å²	88	78.8 Å²	78.8	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-70.3	-42.2	-176.3	-70.8	-13.6	0	0	0	111.3	P165 S210 L216 I217	P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; S210-D213 PolarHBondContact O-N 3.45Å; D213-L216 PolarHBondContact O-N 3.29Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å
214	S	96.2	Very high	93.8	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-46.4	-179.5	-48.6	0	0	0	0	111.4	T163 P165 S210 L216 I217 M218	T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å
215	T	96.5	Very high	94.1	Very high	43 Å²	43	71.7 Å²	71.7	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-36.3	179.1	52.8	0	0	0	0	112.4	L203 Y211 K212 M218 Q219	L203-T215 HydrophobicContact CD1-CG2 4.16Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å; K212-T215 PolarHBondContact O-OG1 3.45Å; T215-M218 PolarHBondContact O-N 2.99Å; T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å
216	L	97.2	Very high	94.5	Very high	101 Å²	101	71.4 Å²	71.4	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-43.1	172.2	178.4	62.1	0	0	0	111.6	K212 D213 S214 Q219 L220	K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å; D213-L216 PolarHBondContact O-N 3.29Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å
217	I	98	Very high	94.8	Very high	28 Å²	28	74.5 Å²	74.5	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-70	-39.9	178.8	-61.8	164.1	0	0	0	111.2	P165 L168 L172 D213 S214 Q219 L220 L221	P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; I217-L221 PolarHBondContact O-N 3.38Å
218	M	98	Very high	95.2	Very high	9 Å²	9	72 Å²	72	4%	0.044	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-38.9	174.2	-70.1	169.9	72.5	0	0	111.7	L168 F196 A199 I200 L203 S214 T215 L221 R222	L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å; T215-M218 PolarHBondContact O-N 2.99Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; M218-R222 PolarHBondContact O-N 3.42Å
219	Q	98	Very high	95.4	Very high	64 Å²	64	66 Å²	66	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-46.1	173.3	177.4	55.6	38.8	0	0	111.5	T215 L216 I217 L221 R222 D223	T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; Q219-L221 PolarHBondContact O-N 3.36Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å
220	L	98.4	Very high	95.4	Very high	75 Å²	75	60.6 Å²	60.6	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176.7	-65.9	171.7	0	0	0	112.6	L172 L216 I217 R222 D223 N224	L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.24Å; L220-N224 PolarHBondContact O-N 3.3Å
221	L	98.4	Very high	94.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-45.7	173.8	-78.2	167.9	0	0	0	111.5	L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225	L168-L221 HydrophobicContact CD2-CD1 3.98Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A195-L221 HydrophobicContact CB-CD1 4.36Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; I217-L221 PolarHBondContact O-N 3.38Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; Q219-L221 PolarHBondContact O-N 3.36Å; L221-N224 PolarHBondContact O-N 3.2Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å
222	R	97.7	Very high	93.8	Very high	116 Å²	116	58.6 Å²	58.6	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-41.5	177.3	-172	-172.3	73.7	-173.1	6.1	112.3	F196 M218 Q219 L220 L225 T226	F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å; M218-R222 PolarHBondContact O-N 3.42Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 2.91Å; R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å
223	D	97.9	Very high	92.4	Very high	67 Å²	67	57.3 Å²	57.3	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-41.2	-179	-65	-13	0	0	0	110.7	Q219 L220 T226 L227	Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å; L220-D223 PolarHBondContact O-N 3.24Å; D223-T226 PolarHBondContact O-N 2.88Å; D223-L227 PolarHBondContact O-N 2.93Å
224	N	97.1	Very high	90.6	Very high	37 Å²	37	55 Å²	55	20%	0.198	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-45.1	172	-78.6	1.5	0	0	0	112.4	L172 L220 L221 T226 L227 W228	L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å; L220-N224 PolarHBondContact O-N 3.3Å; L221-N224 PolarHBondContact O-N 3.2Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 2.7Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å
225	L	96.9	Very high	88.6	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.131	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-42.5	176.4	-76.8	167.7	0	0	0	111.7	C189 A192 K193 L221 R222 T229	C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å; R222-L225 PolarHBondContact O-N 2.91Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å
226	T	96.1	Very high	86.3	Confident	85 Å²	85	65.5 Å²	65.5	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-46.7	177.9	-54.1	0	0	0	0	110.9	R222 D223 N224 T229 S230	R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å; D223-T226 PolarHBondContact O-N 2.88Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; T226-T229 PolarHBondContact O-OG1 3.41Å; T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å
227	L	94.8	Very high	84	Confident	91 Å²	91	63.8 Å²	63.8	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-49.1	179.5	-178.6	66.1	0	0	0	112.3	D223 N224 T229 S230 D231	D223-L227 PolarHBondContact O-N 2.93Å; N224-L227 PolarHBondContact O-N 2.7Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; L227-D231 PolarHBondContact O-N 2.92Å
228	W	95.2	Very high	81.4	Confident	8 Å²	8	70.6 Å²	70.6	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-74.4	-25.6	-174.4	-57.3	-26.8	0	0	0	113.3	S175 V176 Y179 A188 A192 N224 T232	S175-W228 WeakPolarHBondContact OG-CH2 3.4Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å
229	T	90.5	Very high	78.9	Confident	59 Å²	59	74.3 Å²	74.3	36%	0.362	41%	0.412	S	S	.	.	H	α-helix	trans	-79.7	-26.3	174.2	54.2	0	0	0	0	113	L225 T226 L227 T232 Q233	L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å; T226-T229 PolarHBondContact O-OG1 3.41Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å
230	S	86.7	Confident	76.2	Confident	61 Å²	61	74.1 Å²	74.1	43%	0.427	43%	0.428	S	S	.	.	H	α-helix	trans	-72	-37.7	169.7	55.1	0	0	0	0	112.5	T226 L227 Q233 G234	T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; S230-Q233 PolarHBondContact O-N 2.96Å; S230-G234 PolarHBondContact O-N 2.87Å
231	D	77.6	Confident	73.6	Confident	69 Å²	69	79.5 Å²	79.5	37%	0.369	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-42.4	179.6	-69.9	-5	0	0	0	111.1	Y179 L227 Q233 G234 D235	Y179-D231 PolarHBondContact OH-OD2 3.03Å; L227-D231 PolarHBondContact O-N 2.92Å; D231-Q233 PolarHBondContact O-N 2.85Å; D231-G234 PolarHBondContact O-N 3.24Å; D231-D235 PolarHBondContact O-N 3.49Å
232	T	70.7	Confident	70.8	Confident	44 Å²	44	83.3 Å²	83.3	27%	0.27	49%	0.49	S	S	.	.	H	α-helix	trans	-67.6	-33.5	178.3	35.2	0	0	0	0	113.8	P185 W228 T229 E236	P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å
233	Q	63.9	Low	67.7	Low	134 Å²	134	81 Å²	81	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-72.9	-29.4	175	-72.1	176.3	22.7	0	0	112.9	T229 S230 D231 A237	T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å; S230-Q233 PolarHBondContact O-N 2.96Å; D231-Q233 PolarHBondContact O-N 2.85Å; Q233-A237 PolarHBondContact O-N 3.35Å
234	G	57.4	Low	65	Low	38 Å²	38	87.1 Å²	87.1	39%	0.392	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-44.5	174.5	0	0	0	0	0	112.4	S230 D231 A237 E238	S230-G234 PolarHBondContact O-N 2.87Å; D231-G234 PolarHBondContact O-N 3.24Å; G234-A237 PolarHBondContact O-N 3.43Å; G234-E238 PolarHBondContact O-N 3.14Å
235	D	53.4	Low	62.3	Low	119 Å²	119	97 Å²	97	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-68.5	-34.5	179	-72.1	-15	0	0	0	112.5	D231 A239	D231-D235 PolarHBondContact O-N 3.49Å; D235-A239 PolarHBondContact O-N 3.43Å
236	E	49	Very low	60.5	Low	146 Å²	146	100.6 Å²	100.6	68%	0.682	60%	0.604	S	S	*	*	H	α-helix	trans	-69.7	-34	175	-75.3	-177.3	177.1	0	0	112.8	T232 A239 G240	T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å; E236-A239 PolarHBondContact O-N 3.37Å; E236-G240 PolarHBondContact O-N 2.97Å
237	A	47.6	Very low	58.7	Low	64 Å²	64	101.4 Å²	101.4	53%	0.529	61%	0.608	S	S	.	*	H	α-helix	trans	-67.9	-37.2	177	0	0	0	0	0	112.2	Q233 G234 G240	Q233-A237 PolarHBondContact O-N 3.35Å; G234-A237 PolarHBondContact O-N 3.43Å; A237-G240 PolarHBondContact O-N 3.17Å
238	E	43.2	Very low	56.7	Low	172 Å²	172	102 Å²	102	80%	0.804	62%	0.615	S	S	*	*	H	α-helix	trans	-73	-27.8	175.3	-69.7	-166	172.6	0	0	112.9	G234 G240	G234-E238 PolarHBondContact O-N 3.14Å; E238-G240 VanDerWaalsContact C-N 3.33Å
239	A	47	Very low	54.4	Low	86 Å²	86	107.5 Å²	107.5	71%	0.711	65%	0.65	S	S	*	*	H	α-helix	trans	-76.4	-17.7	174.7	0	0	0	0	0	113.7	D235 E236	D235-A239 PolarHBondContact O-N 3.43Å; E236-A239 PolarHBondContact O-N 3.37Å
240	G	41.3	Very low	52.1	Low	61 Å²	61	110.6 Å²	110.6	63%	0.629	67%	0.668	S	S	*	*	H	α-helix	trans	-86.7	-21.1	-174.5	0	0	0	0	0	116.2	E236 A237 E238 G242	E236-G240 PolarHBondContact O-N 2.97Å; A237-G240 PolarHBondContact O-N 3.17Å; E238-G240 VanDerWaalsContact C-N 3.33Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å
241	E	43.6	Very low	49.8	Very low	188 Å²	188	113.9 Å²	113.9	88%	0.879	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	31.3	-174.1	-68.7	-163	168.1	0	0	114.5
242	G	38.7	Very low	47.8	Very low	79 Å²	79	117.1 Å²	117.1	81%	0.814	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	5.6	-178.9	0	0	0	0	0	116.7	G240	G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å
243	G	34.1	Very low	46.1	Very low	67 Å²	67	122.7 Å²	122.7	69%	0.691	74%	0.74	S	S	*	*			trans	-146.3	76.2	-167.2	0	0	0	0	0	115.9
244	E	41	Very low	44.6	Very low	196 Å²	196	121.8 Å²	121.8	92%	0.916	75%	0.749	S	S	*	*			trans	-138	110.6	154.2	-70.8	-166.2	160.1	0	0	110.8
245	N	38.9	Very low	43.4	Very low	245 Å²	245	129.4 Å²	129.4	100%	1.31	78%	0.782	S	S	*	*			trans	12	0	159.9	-63.9	-30.7	0	0	0	120.4

Retrieved 245 of 245 residues in 503.4 ms (Link to these results)

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