1433Z_RAT Loading...

14-3-3 protein zeta/delta

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways (By similarity). Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif (By similarity). Binding generally results in the modulation of the activity of the binding partner (By similarity). Promotes cytosolic retention and inactivation of TFEB transcription factor by binding to phosphorylated TFEB (By similarity). Induces ARHGEF7 activity on RAC1 as well as lamellipodia and membrane ruffle formation¹. In neurons, regulates spine maturation through the modulation of ARHGEF7 activity².

AlphaFold DB , UniProt , Accession P63102, Species RAT (Rattus norvegicus, Rat), Gene Ywhaz, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	71.3	Confident	94.7	Very high	130 Å²	130	67 Å²	67	64%	0.64	32%	0.324	S	S	*	.				0	139.2	0	-163	172.8	-58.2	0	0	106.5	E5 L6 K9	M1-E5 HydrophobicContact CG-CB 3.79Å; M1-E5 WeakPolarHBondContact CG-OE2 3.13Å; M1-E5 HydrophobicContact SD-CB 4.3Å; M1-L6 HydrophobicContact CB-CD1 4.3Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.98Å; M1-L6 HydrophobicContact CE-CD2 4.46Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact CG-CG 3.98Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.36Å; M1-L6 HydrophobicContact SD-CG 3.88Å; M1-K9 HydrophobicContact CE-CD 4.48Å; M1-K9 HydrophobicContact SD-CD 3.74Å; M1-K9 PolarHBondContact SD-NZ 2.9Å
2	D	92.6	Very high	95	Very high	83 Å²	83	70.6 Å²	70.6	44%	0.444	35%	0.345	S	S	.	.			trans	-65.5	151.3	178.9	179.6	45.9	0	0	0	110.8	N4 E5 L6	D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.24Å; D2-N4 VanDerWaalsContact OD2-CB 3.29Å; D2-N4 WeakPolarHBondContact OD2-CB 3.29Å; D2-N4 PolarHBondContact OD2-N 3.35Å; D2-N4 PolarHBondContact OD2-ND2 3.33Å; D2-E5 HydrophobicContact CB-CB 4.45Å; D2-E5 HydrophobicContact CB-CG 4.14Å; D2-E5 PolarHBondContact N-OE2 3.2Å; D2-E5 PolarHBondContact O-N 3.11Å; D2-L6 PolarHBondContact O-N 3.48Å; D2-L6 VanDerWaalsContact O-N 3.11Å
3	K	95.4	Very high	95.3	Very high	41 Å²	41	65.8 Å²	65.8	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-54.7	-44.4	177.7	-168.1	-174.6	-178.8	-161.4	0	111	E5 L6 V7 V29 E40	K3-E5 PolarHBondContact O-N 3.5Å; K3-L6 PolarHBondContact O-N 2.98Å; K3-V7 WeakPolarHBondContact O-CG2 3.48Å; K3-V7 PolarHBondContact O-N 3.27Å; K3-V29 HydrophobicContact CD-CG1 4.43Å; K3-V29 HydrophobicContact CG-CG1 3.97Å; K3-V29 HydrophobicContact CG-CG2 4.45Å; K3-E40 VanDerWaalsContact CE-CD 3.42Å; K3-E40 WeakPolarHBondContact CE-OE1 3.48Å; K3-E40 WeakPolarHBondContact CE-OE2 3.33Å; K3-E40 IonicContact NZ-OE1 3.15Å; K3-E40 PolarHBondContact NZ-OE1 2.83Å; K3-E40 IonicContact NZ-OE2 2.76Å; K3-E40 PolarHBondContact NZ-OE2 3.15Å
4	N	95.9	Very high	95.5	Very high	105 Å²	105	66 Å²	66	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-65.9	-41.1	-178.1	-58.7	-57.4	0	0	0	111.6	D2 L6 V7 Q8	D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.24Å; D2-N4 VanDerWaalsContact OD2-CB 3.29Å; D2-N4 WeakPolarHBondContact OD2-CB 3.29Å; D2-N4 PolarHBondContact OD2-N 3.35Å; D2-N4 PolarHBondContact OD2-ND2 3.33Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.93Å; N4-V7 PolarHBondContact O-N 3.24Å; N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.49Å; N4-Q8 PolarHBondContact O-N 3.48Å
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	-60.9	-41.3	176.2	-70.1	179.3	160.7	0	0	111.8	M1 D2 K3 Q8 K9	M1-E5 HydrophobicContact CG-CB 3.79Å; M1-E5 WeakPolarHBondContact CG-OE2 3.13Å; M1-E5 HydrophobicContact SD-CB 4.3Å; D2-E5 HydrophobicContact CB-CB 4.45Å; D2-E5 HydrophobicContact CB-CG 4.14Å; D2-E5 PolarHBondContact N-OE2 3.2Å; D2-E5 PolarHBondContact O-N 3.11Å; K3-E5 PolarHBondContact O-N 3.5Å; E5-Q8 PolarHBondContact O-N 3.34Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 2.99Å
6	L	98	Very high	95.8	Very high	13 Å²	13	71.6 Å²	71.6	7%	0.068	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-43.5	176.7	-71.9	166	0	0	0	111.9	M1 D2 K3 N4 K9 A10 V29	M1-L6 HydrophobicContact CB-CD1 4.3Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.98Å; M1-L6 HydrophobicContact CE-CD2 4.46Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact CG-CG 3.98Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.36Å; M1-L6 HydrophobicContact SD-CG 3.88Å; D2-L6 PolarHBondContact O-N 3.48Å; D2-L6 VanDerWaalsContact O-N 3.11Å; K3-L6 PolarHBondContact O-N 2.98Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.93Å; L6-K9 PolarHBondContact O-N 3.23Å; L6-A10 PolarHBondContact O-N 2.61Å; L6-V29 HydrophobicContact CB-CG2 3.46Å; L6-V29 VanDerWaalsContact CB-CG2 3.46Å; L6-V29 HydrophobicContact CD1-CG2 4.03Å; L6-V29 HydrophobicContact CG-CG2 4.39Å
7	V	98.3	Very high	95.9	Very high	8 Å²	8	75.9 Å²	75.9	5%	0.048	38%	0.38	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.6	171.3	0	0	0	0	111	K3 N4 K9 A10 K11 V29 E40 L43	K3-V7 WeakPolarHBondContact O-CG2 3.48Å; K3-V7 PolarHBondContact O-N 3.27Å; N4-V7 PolarHBondContact O-N 3.24Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 3.32Å; V7-A10 WeakPolarHBondContact O-CB 3.27Å; V7-A10 PolarHBondContact O-N 3.47Å; V7-K11 WeakPolarHBondContact O-CG 3.42Å; V7-K11 PolarHBondContact O-N 3.32Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.94Å; V7-E40 HydrophobicContact CG2-CG 4.05Å; V7-L43 HydrophobicContact CG1-CD1 3.97Å
8	Q	98	Very high	96	Very high	109 Å²	109	79.5 Å²	79.5	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-39.6	175.6	-68.2	-59.8	-29.8	0	0	112	N4 E5 K11 L12	N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.49Å; N4-Q8 PolarHBondContact O-N 3.48Å; E5-Q8 PolarHBondContact O-N 3.34Å; Q8-K11 PolarHBondContact O-N 2.9Å; Q8-L12 WeakPolarHBondContact O-CG 3.41Å; Q8-L12 PolarHBondContact O-N 2.85Å
9	K	98.1	Very high	96.2	Very high	98 Å²	98	78.2 Å²	78.2	43%	0.426	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-40.1	173	-76.1	178.8	-179.5	-179.2	0	112.5	M1 E5 L6 V7 K11 L12 A13	M1-K9 HydrophobicContact CE-CD 4.48Å; M1-K9 HydrophobicContact SD-CD 3.74Å; M1-K9 PolarHBondContact SD-NZ 2.9Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 2.99Å; L6-K9 PolarHBondContact O-N 3.23Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 3.32Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.44Å; K9-L12 PolarHBondContact O-N 3.22Å; K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.36Å
10	A	98.5	Very high	96.3	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-42.7	174.9	0	0	0	0	0	111.6	L6 V7 A13 E14 M22 C25 M26	L6-A10 PolarHBondContact O-N 2.61Å; V7-A10 WeakPolarHBondContact O-CB 3.27Å; V7-A10 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 3.4Å; A10-E14 WeakPolarHBondContact O-CB 2.98Å; A10-E14 PolarHBondContact O-N 3.28Å; A10-M22 HydrophobicContact CB-CG 4.05Å; A10-C25 HydrophobicContact CB-CB 3.98Å; A10-M26 HydrophobicContact CB-CG 3.81Å; A10-M26 HydrophobicContact CB-SD 3.63Å
11	K	98.4	Very high	96.4	Very high	41 Å²	41	77.7 Å²	77.7	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-39.6	175.4	-68	179.5	-173.5	-172.2	0	112.8	V7 Q8 K9 E14 Q15 E39 L43	V7-K11 WeakPolarHBondContact O-CG 3.42Å; V7-K11 PolarHBondContact O-N 3.32Å; Q8-K11 PolarHBondContact O-N 2.9Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.44Å; K11-E14 PolarHBondContact O-N 2.99Å; K11-Q15 WeakPolarHBondContact O-CG 3.36Å; K11-Q15 PolarHBondContact O-N 2.71Å; K11-Q15 VanDerWaalsContact O-N 3.14Å; K11-E39 VanDerWaalsContact CE-OE1 3.26Å; K11-E39 WeakPolarHBondContact CE-OE1 3.24Å; K11-E39 IonicContact NZ-OE1 2.9Å; K11-E39 PolarHBondContact NZ-OE1 2.91Å; K11-E39 IonicContact NZ-OE2 3.86Å; K11-E39 PolarHBondContact NZ-OE2 3.37Å; K11-L43 HydrophobicContact CG-CD1 4.07Å; K11-L43 HydrophobicContact CG-CD2 4.15Å
12	L	98.4	Very high	97.6	Very high	110 Å²	110	71.5 Å²	71.5	58%	0.576	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-40.7	173.5	-70.6	171.7	0	0	0	111.8	Q8 K9 Q15 A16	Q8-L12 WeakPolarHBondContact O-CG 3.41Å; Q8-L12 PolarHBondContact O-N 2.85Å; K9-L12 PolarHBondContact O-N 3.22Å; L12-Q15 PolarHBondContact O-N 3.28Å; L12-A16 PolarHBondContact O-N 3.25Å; L12-A16 VanDerWaalsContact O-N 3.16Å
13	A	98.4	Very high	97.9	Very high	9 Å²	9	67.9 Å²	67.9	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-39.3	176.5	0	0	0	0	0	111.9	K9 A10 A16 E17 R18 D21 M22	K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 3.36Å; A10-A13 PolarHBondContact O-N 3.4Å; A13-A16 CarbonylContact O-C 3.49Å; A13-A16 PolarHBondContact O-N 3.39Å; A13-E17 PolarHBondContact O-N 2.79Å; A13-R18 HydrophobicContact CB-CB 4.34Å; A13-R18 PolarHBondContact O-N 3.15Å; A13-D21 HydrophobicContact CB-CB 4.01Å; A13-M22 HydrophobicContact CB-CB 3.97Å
14	E	98.2	Very high	98.1	Very high	68 Å²	68	68.6 Å²	68.6	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-49.6	173.4	-177.6	-179.7	-149.8	0	0	111.6	A10 K11 A16 E17 M22 L43	A10-E14 WeakPolarHBondContact O-CB 2.98Å; A10-E14 PolarHBondContact O-N 3.28Å; K11-E14 PolarHBondContact O-N 2.99Å; E14-A16 PolarHBondContact O-N 3.04Å; E14-E17 PolarHBondContact O-N 3.18Å; E14-M22 HydrophobicContact CB-CE 3.94Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.15Å; E14-M22 HydrophobicContact CG-SD 4.35Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å
15	Q	97.8	Very high	98.2	Very high	160 Å²	160	64.5 Å²	64.5	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-26.1	177.9	-69.9	176.3	31.5	0	0	113.3	K11 L12	K11-Q15 WeakPolarHBondContact O-CG 3.36Å; K11-Q15 PolarHBondContact O-N 2.71Å; K11-Q15 VanDerWaalsContact O-N 3.14Å; L12-Q15 PolarHBondContact O-N 3.28Å
16	A	98	Very high	98.2	Very high	61 Å²	61	59.3 Å²	59.3	50%	0.504	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.4	176	0	0	0	0	0	113.2	L12 A13 E14 R18	L12-A16 PolarHBondContact O-N 3.25Å; L12-A16 VanDerWaalsContact O-N 3.16Å; A13-A16 CarbonylContact O-C 3.49Å; A13-A16 PolarHBondContact O-N 3.39Å; E14-A16 PolarHBondContact O-N 3.04Å; A16-R18 HydrophobicContact CB-CG 4.12Å; A16-R18 PolarHBondContact O-N 3.14Å; A16-R18 VanDerWaalsContact O-N 3.11Å
17	E	97.8	Very high	98.3	Very high	145 Å²	145	61.4 Å²	61.4	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	27.2	-175.4	-56.6	-173.5	158.9	0	0	113.9	A13 E14 Y19	A13-E17 PolarHBondContact O-N 2.79Å; E14-E17 PolarHBondContact O-N 3.18Å; E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.89Å; E17-Y19 HydrophobicContact CG-CE2 4.48Å; E17-Y19 VanDerWaalsContact O-CD2 3.31Å; E17-Y19 WeakPolarHBondContact O-CD2 3.39Å; E17-Y19 PolarHBondContact O-N 3.3Å
18	R	98.3	Very high	98.3	Very high	141 Å²	141	63.5 Å²	63.5	53%	0.532	32%	0.324	S	S	.	.			trans	-90.8	67.2	177.6	-67	-161.1	61.8	174	-12.4	110.7	A13 A16 D20 D21 M22	A13-R18 HydrophobicContact CB-CB 4.34Å; A13-R18 PolarHBondContact O-N 3.15Å; A16-R18 HydrophobicContact CB-CG 4.12Å; A16-R18 PolarHBondContact O-N 3.14Å; A16-R18 VanDerWaalsContact O-N 3.11Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 2.68Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD1 2.97Å; R18-D21 IonicContact CZ-OD2 2.7Å; R18-D21 IonicContact NE-OD1 2.9Å; R18-D21 IonicContact NE-OD2 3.67Å; R18-D21 PolarHBondContact NE-OD2 3.46Å; R18-D21 IonicContact NH1-OD2 2.85Å; R18-D21 VanDerWaalsContact NH2-CG 3.34Å; R18-D21 IonicContact NH2-OD1 2.61Å; R18-D21 PolarHBondContact NH2-OD1 3.16Å; R18-D21 IonicContact NH2-OD2 2.71Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.27Å; R18-D21 PolarHBondContact O-N 2.87Å; R18-D21 VanDerWaalsContact O-N 3.08Å; R18-M22 PolarHBondContact O-N 3.25Å
19	Y	98.4	Very high	98.3	Very high	54 Å²	54	58.4 Å²	58.4	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-27.6	-171.9	-57.4	-70.8	0	0	0	114.5	E17 M22 A23 V46 N50 V51	E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.89Å; E17-Y19 HydrophobicContact CG-CE2 4.48Å; E17-Y19 VanDerWaalsContact O-CD2 3.31Å; E17-Y19 WeakPolarHBondContact O-CD2 3.39Å; E17-Y19 PolarHBondContact O-N 3.3Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.29Å; Y19-M22 PolarHBondContact O-N 2.89Å; Y19-A23 WeakPolarHBondContact O-CB 3.42Å; Y19-A23 PolarHBondContact O-N 3.49Å; 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 3.46Å; Y19-N50 HydrophobicContact CE2-CB 3.78Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å
20	D	98.1	Very high	98.3	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-41.4	172.6	-64.2	-76.7	0	0	0	111.3	R18 A23 A24 R55	R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 2.68Å; D20-A23 PolarHBondContact O-N 2.86Å; D20-A24 PolarHBondContact O-N 2.92Å; D20-R55 IonicContact OD1-CZ 3.12Å; D20-R55 IonicContact OD1-NH1 3.52Å; D20-R55 PolarHBondContact OD1-NH1 3Å; D20-R55 IonicContact OD1-NH2 2.73Å; D20-R55 IonicContact OD2-NH1 3.27Å
21	D	98.3	Very high	98.3	Very high	62 Å²	62	58.2 Å²	58.2	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.2	-62.2	0.2	0	0	0	110.8	A13 R18 A24 C25	A13-D21 HydrophobicContact CB-CB 4.01Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD1 2.97Å; R18-D21 IonicContact CZ-OD2 2.7Å; R18-D21 IonicContact NE-OD1 2.9Å; R18-D21 IonicContact NE-OD2 3.67Å; R18-D21 PolarHBondContact NE-OD2 3.46Å; R18-D21 IonicContact NH1-OD2 2.85Å; R18-D21 VanDerWaalsContact NH2-CG 3.34Å; R18-D21 IonicContact NH2-OD1 2.61Å; R18-D21 PolarHBondContact NH2-OD1 3.16Å; R18-D21 IonicContact NH2-OD2 2.71Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.27Å; R18-D21 PolarHBondContact O-N 2.87Å; R18-D21 VanDerWaalsContact O-N 3.08Å; D21-A24 PolarHBondContact O-N 3.14Å; D21-C25 PolarHBondContact O-N 3.48Å; D21-C25 PolarHBondContact O-SG 3.49Å
22	M	98.3	Very high	98.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-45.5	175.5	-166.1	-169.6	-179.5	0	0	110.9	A10 A13 E14 R18 Y19 C25 M26 L43 V46 A47	A10-M22 HydrophobicContact CB-CG 4.05Å; A13-M22 HydrophobicContact CB-CB 3.97Å; E14-M22 HydrophobicContact CB-CE 3.94Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.15Å; E14-M22 HydrophobicContact CG-SD 4.35Å; R18-M22 PolarHBondContact O-N 3.25Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.29Å; Y19-M22 PolarHBondContact O-N 2.89Å; M22-C25 PolarHBondContact O-N 3.23Å; M22-M26 WeakPolarHBondContact O-CB 3.36Å; M22-M26 WeakPolarHBondContact O-CG 3.26Å; M22-M26 PolarHBondContact O-N 2.99Å; M22-L43 HydrophobicContact CE-CB 3.89Å; M22-L43 HydrophobicContact CE-CD2 3.46Å; M22-L43 VanDerWaalsContact CE-CD2 3.46Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.42Å; M22-V46 HydrophobicContact CE-CB 4.14Å; M22-V46 HydrophobicContact CE-CG1 4.09Å; M22-V46 HydrophobicContact SD-CG1 4.29Å; M22-A47 HydrophobicContact CB-CB 3.88Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.6Å; M22-A47 HydrophobicContact SD-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CB 3.57Å
23	A	98.5	Very high	98	Very high	7 Å²	7	56.8 Å²	56.8	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.1	0	0	0	0	0	111.2	Y19 D20 C25 M26 K27 A47 Y48 V51	Y19-A23 WeakPolarHBondContact O-CB 3.42Å; Y19-A23 PolarHBondContact O-N 3.49Å; D20-A23 PolarHBondContact O-N 2.86Å; A23-C25 PolarHBondContact O-N 3.28Å; A23-M26 PolarHBondContact O-N 3Å; A23-K27 WeakPolarHBondContact O-CB 3.2Å; A23-K27 PolarHBondContact O-N 3.36Å; A23-A47 HydrophobicContact CB-CB 4.14Å; A23-Y48 HydrophobicContact CB-CD1 4.18Å; A23-Y48 HydrophobicContact CB-CD2 4.3Å; A23-Y48 HydrophobicContact CB-CE1 4.05Å; A23-Y48 HydrophobicContact CB-CE2 4.13Å; A23-Y48 HydrophobicContact CB-CG 4.33Å; A23-V51 HydrophobicContact CB-CG2 4.32Å
24	A	98.3	Very high	97.9	Very high	56 Å²	56	59 Å²	59	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.3	0	0	0	0	0	112.8	D20 D21 S28	D20-A24 PolarHBondContact O-N 2.92Å; D21-A24 PolarHBondContact O-N 3.14Å; A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.92Å
25	C	98.5	Very high	97.8	Very high	18 Å²	18	59.1 Å²	59.1	12%	0.122	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-49	175.8	-67.2	0	0	0	0	111.4	A10 D21 M22 A23 K27 S28 V29	A10-C25 HydrophobicContact CB-CB 3.98Å; D21-C25 PolarHBondContact O-N 3.48Å; D21-C25 PolarHBondContact O-SG 3.49Å; M22-C25 PolarHBondContact O-N 3.23Å; A23-C25 PolarHBondContact O-N 3.28Å; C25-K27 PolarHBondContact O-N 3.5Å; C25-S28 WeakPolarHBondContact O-CB 3.37Å; C25-S28 PolarHBondContact O-N 3.22Å; C25-S28 VanDerWaalsContact O-N 3.16Å; C25-V29 WeakPolarHBondContact O-CG2 3.17Å; C25-V29 PolarHBondContact O-N 3.16Å
26	M	98.6	Very high	97.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-29.3	-177.1	-68.5	-51.5	-52.4	0	0	113.4	A10 M22 A23 V29 T30 E40 L43 L44	A10-M26 HydrophobicContact CB-CG 3.81Å; A10-M26 HydrophobicContact CB-SD 3.63Å; M22-M26 WeakPolarHBondContact O-CB 3.36Å; M22-M26 WeakPolarHBondContact O-CG 3.26Å; M22-M26 PolarHBondContact O-N 2.99Å; A23-M26 PolarHBondContact O-N 3Å; M26-V29 HydrophobicContact CE-CB 4.23Å; M26-V29 HydrophobicContact CE-CG1 4.17Å; M26-V29 PolarHBondContact O-N 3.34Å; M26-V29 HydrophobicContact SD-CG2 4.42Å; M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.33Å; M26-T30 PolarHBondContact O-OG1 3.34Å; M26-E40 HydrophobicContact CE-CB 4.12Å; M26-E40 WeakPolarHBondContact CE-O 3.39Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.93Å; M26-L43 HydrophobicContact SD-CD1 4.35Å; M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.65Å; M26-L44 HydrophobicContact CE-CB 4.29Å
27	K	98.5	Very high	97.8	Very high	58 Å²	58	51.5 Å²	51.5	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-51.5	166	176.1	170	-179	175.1	0	110.7	A23 C25 V29 T30 E31 D96 L100	A23-K27 WeakPolarHBondContact O-CB 3.2Å; A23-K27 PolarHBondContact O-N 3.36Å; C25-K27 PolarHBondContact O-N 3.5Å; K27-V29 PolarHBondContact O-N 2.85Å; K27-T30 WeakPolarHBondContact O-CB 3.42Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-E31 WeakPolarHBondContact CE-OE1 3.41Å; K27-E31 HydrophobicContact CG-CG 4.34Å; K27-E31 WeakPolarHBondContact O-CG 3.36Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-D96 WeakPolarHBondContact CD-OD2 3.41Å; K27-D96 VanDerWaalsContact CE-OD1 3.24Å; K27-D96 WeakPolarHBondContact CE-OD1 3.44Å; K27-D96 IonicContact NZ-OD1 3.35Å; K27-D96 PolarHBondContact NZ-OD1 3.37Å; K27-D96 IonicContact NZ-OD2 2.76Å; K27-D96 PolarHBondContact NZ-OD2 2.92Å; K27-L100 HydrophobicContact CB-CD1 4.16Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å
28	S	98.3	Very high	97.7	Very high	52 Å²	52	48.7 Å²	48.7	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-31	178.6	-57.1	0	0	0	0	112.9	A24 C25 Q32	A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.92Å; C25-S28 WeakPolarHBondContact O-CB 3.37Å; C25-S28 PolarHBondContact O-N 3.22Å; C25-S28 VanDerWaalsContact O-N 3.16Å; S28-Q32 WeakPolarHBondContact O-CG 3.03Å; S28-Q32 PolarHBondContact O-NE2 3.16Å
29	V	98.4	Very high	97.6	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-45.9	172.2	170.3	0	0	0	0	110.9	K3 L6 V7 C25 M26 K27 Q32 L36	K3-V29 HydrophobicContact CD-CG1 4.43Å; K3-V29 HydrophobicContact CG-CG1 3.97Å; K3-V29 HydrophobicContact CG-CG2 4.45Å; L6-V29 HydrophobicContact CB-CG2 3.46Å; L6-V29 VanDerWaalsContact CB-CG2 3.46Å; L6-V29 HydrophobicContact CD1-CG2 4.03Å; L6-V29 HydrophobicContact CG-CG2 4.39Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.94Å; C25-V29 WeakPolarHBondContact O-CG2 3.17Å; C25-V29 PolarHBondContact O-N 3.16Å; M26-V29 HydrophobicContact CE-CB 4.23Å; M26-V29 HydrophobicContact CE-CG1 4.17Å; M26-V29 PolarHBondContact O-N 3.34Å; M26-V29 HydrophobicContact SD-CG2 4.42Å; K27-V29 PolarHBondContact O-N 2.85Å; V29-Q32 WeakPolarHBondContact O-CB 3.31Å; V29-Q32 PolarHBondContact O-N 2.96Å; V29-L36 HydrophobicContact CG1-CD2 3.8Å
30	T	98.3	Very high	97.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-40.7	-178	-57.9	0	0	0	0	112.1	M26 K27 Q32 G33 L100 F104 L105	M26-T30 WeakPolarHBondContact O-CB 3.49Å; M26-T30 PolarHBondContact O-N 3.33Å; M26-T30 PolarHBondContact O-OG1 3.34Å; K27-T30 WeakPolarHBondContact O-CB 3.42Å; K27-T30 PolarHBondContact O-N 3.46Å; T30-Q32 PolarHBondContact O-N 3.29Å; T30-Q32 VanDerWaalsContact O-N 3.15Å; T30-G33 PolarHBondContact O-N 3.18Å; T30-L100 HydrophobicContact CG2-CB 4.19Å; T30-L100 HydrophobicContact CG2-CD2 4Å; T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.5Å; T30-F104 HydrophobicContact CG2-CG 4.39Å; T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.59Å; T30-L105 HydrophobicContact CG2-CG 3.72Å
31	E	98	Very high	97.6	Very high	92 Å²	92	42 Å²	42	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.2	-179.8	-69.9	177.4	154.5	0	0	113.6	K27 G33 L100 F104	K27-E31 WeakPolarHBondContact CE-OE1 3.41Å; K27-E31 HydrophobicContact CG-CG 4.34Å; K27-E31 WeakPolarHBondContact O-CG 3.36Å; K27-E31 PolarHBondContact O-N 3.43Å; E31-G33 PolarHBondContact O-N 3.03Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; E31-F104 HydrophobicContact CB-CE2 4.45Å; E31-F104 HydrophobicContact CB-CZ 4.25Å; E31-F104 HydrophobicContact CG-CD2 4.44Å; E31-F104 HydrophobicContact CG-CE2 3.85Å; E31-F104 HydrophobicContact CG-CZ 4.09Å
32	Q	96.7	Very high	97.5	Very high	92 Å²	92	42.6 Å²	42.6	43%	0.43	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.3	169.2	-63.2	177.5	27.6	0	0	112.6	S28 V29 T30 A34	S28-Q32 WeakPolarHBondContact O-CG 3.03Å; S28-Q32 PolarHBondContact O-NE2 3.16Å; V29-Q32 WeakPolarHBondContact O-CB 3.31Å; V29-Q32 PolarHBondContact O-N 2.96Å; T30-Q32 PolarHBondContact O-N 3.29Å; T30-Q32 VanDerWaalsContact O-N 3.15Å; Q32-A34 VanDerWaalsContact C-N 3.32Å; Q32-A34 PolarHBondContact O-N 2.9Å
33	G	95	Very high	97.5	Very high	29 Å²	29	43 Å²	43	30%	0.299	25%	0.247	S	C	.	.			trans	80.7	0.2	169.2	0	0	0	0	0	116.2	T30 E31 N108	T30-G33 PolarHBondContact O-N 3.18Å; E31-G33 PolarHBondContact O-N 3.03Å; G33-N108 PolarHBondContact O-ND2 2.78Å; G33-N108 VanDerWaalsContact O-ND2 3.14Å
34	A	95.4	Very high	97.5	Very high	56 Å²	56	42.9 Å²	42.9	46%	0.463	25%	0.245	S	C	.	.	S	Bend	trans	-78.6	147.1	170.2	0	0	0	0	0	111	Q32 L36	Q32-A34 VanDerWaalsContact C-N 3.32Å; Q32-A34 PolarHBondContact O-N 2.9Å; A34-L36 PolarHBondContact O-N 3.04Å
35	E	97.4	Very high	97.5	Very high	71 Å²	71	41.7 Å²	41.7	33%	0.332	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-58.3	133.4	171.3	-173.3	171.2	-162.2	0	0	110.1	S110	E35-S110 VanDerWaalsContact CD-OG 3.27Å; E35-S110 PolarHBondContact OE1-N 2.93Å; E35-S110 PolarHBondContact OE1-OG 2.91Å; E35-S110 VanDerWaalsContact OE1-OG 3.08Å; E35-S110 VanDerWaalsContact OE2-CB 3.29Å; E35-S110 WeakPolarHBondContact OE2-CB 3.06Å; E35-S110 PolarHBondContact OE2-OG 3.07Å
36	L	98	Very high	97.5	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-76.7	141.6	179.1	-60.6	-171.5	0	0	0	110.7	V29 A34 E40 R41 L44 L105	V29-L36 HydrophobicContact CG1-CD2 3.8Å; A34-L36 PolarHBondContact O-N 3.04Å; L36-E40 WeakPolarHBondContact CA-OE2 3.27Å; L36-E40 HydrophobicContact CB-CB 3.95Å; L36-E40 HydrophobicContact CD1-CB 4.49Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.45Å; L36-R41 HydrophobicContact CB-CB 4.38Å; L36-L44 HydrophobicContact CD1-CD2 4.09Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.85Å
37	S	97	Very high	97.5	Very high	53 Å²	53	43.1 Å²	43.1	37%	0.371	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.2	165.2	166.1	76.8	0	0	0	0	111.1	E39 E40 R41	S37-E39 PolarHBondContact O-N 3.47Å; S37-E39 PolarHBondContact OG-N 3.07Å; S37-E40 PolarHBondContact N-OE2 3.43Å; S37-E40 PolarHBondContact O-N 2.96Å; S37-E40 WeakPolarHBondContact OG-CG 3.48Å; S37-E40 PolarHBondContact OG-N 2.79Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.47Å; S37-R41 PolarHBondContact O-N 3.21Å
38	N	95	Very high	97.5	Very high	86 Å²	86	40.6 Å²	40.6	46%	0.46	23%	0.23	S	C	.	.	H	α-helix	trans	-56.6	-38.6	175.2	-75.8	-14.7	0	0	0	112.5	R41 N42	N38-R41 PolarHBondContact OD1-NH1 3.14Å; N38-N42 WeakPolarHBondContact O-CB 3.45Å; N38-N42 PolarHBondContact O-N 2.83Å; N38-N42 PolarHBondContact O-ND2 2.9Å; N38-N42 PolarHBondContact O-OD1 3.08Å
39	E	96.6	Very high	97.5	Very high	106 Å²	106	44.8 Å²	44.8	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-48.2	176.5	-173.4	-179.2	-146	0	0	111.1	K11 S37 R41 N42 L43	K11-E39 VanDerWaalsContact CE-OE1 3.26Å; K11-E39 WeakPolarHBondContact CE-OE1 3.24Å; K11-E39 IonicContact NZ-OE1 2.9Å; K11-E39 PolarHBondContact NZ-OE1 2.91Å; K11-E39 IonicContact NZ-OE2 3.86Å; K11-E39 PolarHBondContact NZ-OE2 3.37Å; S37-E39 PolarHBondContact O-N 3.47Å; S37-E39 PolarHBondContact OG-N 3.07Å; E39-R41 PolarHBondContact O-N 3.43Å; E39-N42 PolarHBondContact O-N 3.38Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.45Å; E39-L43 PolarHBondContact O-N 3.05Å
40	E	98.1	Very high	97.5	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-42.3	-179.8	-69	166.1	166.8	0	0	112	K3 V7 M26 L36 S37 N42 L43 L44	K3-E40 VanDerWaalsContact CE-CD 3.42Å; K3-E40 WeakPolarHBondContact CE-OE1 3.48Å; K3-E40 WeakPolarHBondContact CE-OE2 3.33Å; K3-E40 IonicContact NZ-OE1 3.15Å; K3-E40 PolarHBondContact NZ-OE1 2.83Å; K3-E40 IonicContact NZ-OE2 2.76Å; K3-E40 PolarHBondContact NZ-OE2 3.15Å; V7-E40 HydrophobicContact CG2-CG 4.05Å; M26-E40 HydrophobicContact CE-CB 4.12Å; M26-E40 WeakPolarHBondContact CE-O 3.39Å; L36-E40 WeakPolarHBondContact CA-OE2 3.27Å; L36-E40 HydrophobicContact CB-CB 3.95Å; L36-E40 HydrophobicContact CD1-CB 4.49Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.45Å; S37-E40 PolarHBondContact N-OE2 3.43Å; S37-E40 PolarHBondContact O-N 2.96Å; S37-E40 WeakPolarHBondContact OG-CG 3.48Å; S37-E40 PolarHBondContact OG-N 2.79Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.04Å; E40-L43 PolarHBondContact O-N 3.21Å; E40-L44 PolarHBondContact O-N 3.22Å
41	R	97.9	Very high	97.5	Very high	14 Å²	14	47.8 Å²	47.8	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-45.2	173.7	-179.8	-167.3	74.4	-164.8	-3.3	111.4	L36 S37 N38 E39 L44 S45 F117 Y118	L36-R41 HydrophobicContact CB-CB 4.38Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.47Å; S37-R41 PolarHBondContact O-N 3.21Å; N38-R41 PolarHBondContact OD1-NH1 3.14Å; E39-R41 PolarHBondContact O-N 3.43Å; R41-L44 PolarHBondContact O-N 3.08Å; R41-S45 WeakPolarHBondContact O-CB 3.16Å; R41-S45 PolarHBondContact O-N 2.84Å; R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.64Å; R41-F117 HydrophobicContact CG-CE1 3.5Å; R41-F117 VanDerWaalsContact CG-CE1 3.5Å; R41-F117 HydrophobicContact CG-CG 4.25Å; R41-F117 HydrophobicContact CG-CZ 3.98Å; R41-Y118 HydrophobicContact CG-CE1 3.66Å
42	N	96.7	Very high	97.5	Very high	73 Å²	73	43.4 Å²	43.4	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-41.7	179.3	-70.4	-7.7	0	0	0	111.1	N38 E39 E40 L44 S45 V46	N38-N42 WeakPolarHBondContact O-CB 3.45Å; N38-N42 PolarHBondContact O-N 2.83Å; N38-N42 PolarHBondContact O-ND2 2.9Å; N38-N42 PolarHBondContact O-OD1 3.08Å; E39-N42 PolarHBondContact O-N 3.38Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.04Å; N42-L44 PolarHBondContact O-N 3.34Å; N42-S45 WeakPolarHBondContact O-CB 3.5Å; N42-S45 PolarHBondContact O-N 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.45Å; N42-V46 PolarHBondContact O-N 2.97Å
43	L	98.4	Very high	97.6	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-47.6	174.2	-71.6	169.6	0	0	0	111.6	V7 K11 E14 M22 M26 E39 E40 S45 V46 A47	V7-L43 HydrophobicContact CG1-CD1 3.97Å; K11-L43 HydrophobicContact CG-CD1 4.07Å; K11-L43 HydrophobicContact CG-CD2 4.15Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å; M22-L43 HydrophobicContact CE-CB 3.89Å; M22-L43 HydrophobicContact CE-CD2 3.46Å; M22-L43 VanDerWaalsContact CE-CD2 3.46Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.42Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.93Å; M26-L43 HydrophobicContact SD-CD1 4.35Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.45Å; E39-L43 PolarHBondContact O-N 3.05Å; E40-L43 PolarHBondContact O-N 3.21Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 2.85Å; L43-V46 PolarHBondContact O-N 3.27Å; L43-A47 WeakPolarHBondContact O-CB 3.15Å; L43-A47 PolarHBondContact O-N 3.04Å
44	L	98.6	Very high	97.7	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-44.8	175.7	-179.8	74.3	0	0	0	111.4	M26 L36 E40 R41 N42 A47 Y48 L100 L105	M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.65Å; M26-L44 HydrophobicContact CE-CB 4.29Å; L36-L44 HydrophobicContact CD1-CD2 4.09Å; E40-L44 PolarHBondContact O-N 3.22Å; R41-L44 PolarHBondContact O-N 3.08Å; N42-L44 PolarHBondContact O-N 3.34Å; L44-A47 PolarHBondContact O-N 3.01Å; L44-Y48 HydrophobicContact CD1-CD2 3.67Å; L44-Y48 HydrophobicContact CD1-CE2 3.52Å; L44-Y48 HydrophobicContact CG-CD2 4.23Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 PolarHBondContact O-N 3.4Å; L44-L100 HydrophobicContact CD1-CD1 4.47Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.38Å
45	S	98.2	Very high	97.9	Very high	31 Å²	31	41.3 Å²	41.3	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-48.2	179.5	-170.1	0	0	0	0	112.2	R41 N42 L43 A47 K49	R41-S45 WeakPolarHBondContact O-CB 3.16Å; R41-S45 PolarHBondContact O-N 2.84Å; N42-S45 WeakPolarHBondContact O-CB 3.5Å; N42-S45 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 2.85Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 3.18Å; S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 PolarHBondContact O-N 3.37Å
46	V	98.3	Very high	97.9	Very high	48 Å²	48	39.3 Å²	39.3	29%	0.291	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-44.2	177.9	169.4	0	0	0	0	111	Y19 M22 N42 L43 N50	Y19-V46 HydrophobicContact CE1-CG1 4.29Å; M22-V46 HydrophobicContact CE-CB 4.14Å; M22-V46 HydrophobicContact CE-CG1 4.09Å; M22-V46 HydrophobicContact SD-CG1 4.29Å; N42-V46 WeakPolarHBondContact O-CG2 3.45Å; N42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 3.27Å; V46-N50 PolarHBondContact O-N 3.5Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 2.68Å
47	A	98.6	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56	-62	179.2	0	0	0	0	0	111.3	M22 A23 L43 L44 S45 K49 N50 V51	M22-A47 HydrophobicContact CB-CB 3.88Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.6Å; M22-A47 HydrophobicContact SD-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CB 3.57Å; A23-A47 HydrophobicContact CB-CB 4.14Å; L43-A47 WeakPolarHBondContact O-CB 3.15Å; L43-A47 PolarHBondContact O-N 3.04Å; L44-A47 PolarHBondContact O-N 3.01Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 3.18Å; A47-K49 PolarHBondContact O-N 3.21Å; A47-N50 PolarHBondContact O-N 3.43Å; A47-V51 WeakPolarHBondContact O-CG2 3.49Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.11Å
48	Y	98.7	Very high	98	Very high	6 Å²	6	42.3 Å²	42.3	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-32.3	-174.7	-78.7	-79.1	0	0	0	112.7	A23 L44 N50 V51 V52 I93 D96 V97 L100 Y125	A23-Y48 HydrophobicContact CB-CD1 4.18Å; A23-Y48 HydrophobicContact CB-CD2 4.3Å; A23-Y48 HydrophobicContact CB-CE1 4.05Å; A23-Y48 HydrophobicContact CB-CE2 4.13Å; A23-Y48 HydrophobicContact CB-CG 4.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.67Å; L44-Y48 HydrophobicContact CD1-CE2 3.52Å; L44-Y48 HydrophobicContact CG-CD2 4.23Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 PolarHBondContact O-N 3.4Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.88Å; Y48-V51 PolarHBondContact O-N 3.42Å; Y48-V52 WeakPolarHBondContact O-CB 3.35Å; Y48-V52 VanDerWaalsContact O-CG1 3.26Å; Y48-V52 WeakPolarHBondContact O-CG1 3.36Å; Y48-V52 PolarHBondContact O-N 3.49Å; Y48-I93 HydrophobicContact CD1-CG2 4.16Å; Y48-D96 PolarHBondContact OH-OD2 3.36Å; Y48-V97 HydrophobicContact CD1-CG2 3.11Å; Y48-V97 HydrophobicContact CD2-CG2 3.85Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.12Å; Y48-V97 HydrophobicContact CG-CG2 3.32Å; Y48-L100 HydrophobicContact CE2-CD1 3.96Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.42Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.49Å; Y48-Y125 PolarHBondContact O-OH 2.94Å
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	-57.6	-43.6	174.1	178.7	-176.2	174.9	-173.7	0	111.5	S45 A47 G53 Y125	S45-K49 WeakPolarHBondContact O-CB 3.35Å; S45-K49 PolarHBondContact O-N 3.37Å; A47-K49 PolarHBondContact O-N 3.21Å; K49-G53 WeakPolarHBondContact O-CA 3.47Å; K49-G53 PolarHBondContact O-N 3.16Å; K49-Y125 PolarHBondContact N-OH 3.02Å
50	N	98.4	Very high	98.2	Very high	58 Å²	58	39.6 Å²	39.6	31%	0.31	21%	0.213	S	C	.	.	H	α-helix	trans	-72.1	-42.8	178.9	-79.6	-72.6	0	0	0	111.9	Y19 V46 A47 Y48 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 3.46Å; Y19-N50 HydrophobicContact CE2-CB 3.78Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; V46-N50 PolarHBondContact O-N 3.5Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 2.68Å; A47-N50 PolarHBondContact O-N 3.43Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.88Å; N50-G53 PolarHBondContact O-N 3.33Å; N50-A54 PolarHBondContact O-N 2.88Å
51	V	98.5	Very high	98.2	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-51.5	177.4	173.4	0	0	0	0	111.1	Y19 A23 A47 Y48 R55 I93	Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å; A23-V51 HydrophobicContact CB-CG2 4.32Å; A47-V51 WeakPolarHBondContact O-CG2 3.49Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.11Å; Y48-V51 PolarHBondContact O-N 3.42Å; V51-R55 VanDerWaalsContact O-CD 3.28Å; V51-R55 WeakPolarHBondContact O-CD 3.28Å; V51-R55 PolarHBondContact O-N 2.97Å; V51-I93 HydrophobicContact CG1-CD1 3.64Å; V51-I93 HydrophobicContact CG1-CG1 3.95Å; V51-I93 HydrophobicContact CG1-CG2 4.04Å
52	V	98.4	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-69.6	-37	179.3	77.3	0	0	0	0	111.7	Y48 A54 R55 R56 L90 I93 Y125 Y128	Y48-V52 WeakPolarHBondContact O-CB 3.35Å; Y48-V52 VanDerWaalsContact O-CG1 3.26Å; Y48-V52 WeakPolarHBondContact O-CG1 3.36Å; Y48-V52 PolarHBondContact O-N 3.49Å; V52-A54 PolarHBondContact O-N 3.44Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.44Å; V52-R56 WeakPolarHBondContact O-CG 3.35Å; V52-R56 PolarHBondContact O-N 3.31Å; V52-L90 HydrophobicContact CG2-CG 4.35Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; V52-Y125 HydrophobicContact CB-CE1 4.12Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.3Å; V52-Y128 HydrophobicContact CG1-CD2 3.98Å; V52-Y128 HydrophobicContact CG1-CE2 3.81Å; V52-Y128 HydrophobicContact CG2-CD2 3.88Å; V52-Y128 HydrophobicContact CG2-CG 4.49Å
53	G	98.1	Very high	98.2	Very high	24 Å²	24	40.3 Å²	40.3	25%	0.247	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-44.1	177.4	0	0	0	0	0	112.6	K49 N50 R55 R56 S57	K49-G53 WeakPolarHBondContact O-CA 3.47Å; K49-G53 PolarHBondContact O-N 3.16Å; N50-G53 PolarHBondContact O-N 3.33Å; G53-R55 PolarHBondContact O-N 3.25Å; G53-R56 PolarHBondContact O-N 3.47Å; G53-S57 PolarHBondContact O-N 3.4Å; G53-S57 PolarHBondContact O-OG 3.28Å; G53-S57 VanDerWaalsContact O-OG 3.14Å
54	A	98.2	Very high	98.2	Very high	49 Å²	49	41.6 Å²	41.6	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-41.8	176.5	0	0	0	0	0	112.5	N50 V52 S58	N50-A54 PolarHBondContact O-N 2.88Å; V52-A54 PolarHBondContact O-N 3.44Å; A54-S58 WeakPolarHBondContact O-CB 2.99Å; A54-S58 PolarHBondContact O-N 3Å; A54-S58 PolarHBondContact O-OG 2.92Å
55	R	98.4	Very high	98.1	Very high	60 Å²	60	45.4 Å²	45.4	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-42.1	177.6	-86.2	67.8	-177.5	-167.2	-3.2	111.4	D20 V51 V52 G53 S57 S58 W59 I86 E89 L90 I93	D20-R55 IonicContact OD1-CZ 3.12Å; D20-R55 IonicContact OD1-NH1 3.52Å; D20-R55 PolarHBondContact OD1-NH1 3Å; D20-R55 IonicContact OD1-NH2 2.73Å; D20-R55 IonicContact OD2-NH1 3.27Å; V51-R55 VanDerWaalsContact O-CD 3.28Å; V51-R55 WeakPolarHBondContact O-CD 3.28Å; V51-R55 PolarHBondContact O-N 2.97Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 3.25Å; R55-S57 PolarHBondContact O-N 2.88Å; R55-S58 PolarHBondContact O-N 2.87Å; R55-W59 WeakPolarHBondContact O-CB 3.47Å; R55-W59 PolarHBondContact O-N 3.49Å; R55-I86 HydrophobicContact CB-CG2 4.29Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.5Å; R55-E89 HydrophobicContact CG-CB 4.24Å; R55-E89 IonicContact NE-OE2 2.85Å; R55-L90 HydrophobicContact CB-CB 4.44Å; R55-I93 HydrophobicContact CG-CD1 3.96Å
56	R	98.1	Very high	98.1	Very high	28 Å²	28	44.9 Å²	44.9	11%	0.106	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-45.4	174.9	-73.4	179.2	73.4	-140.1	11.8	112.4	V52 G53 W59 R60 L90 Y128 E131	V52-R56 HydrophobicContact CG2-CG 4.44Å; V52-R56 WeakPolarHBondContact O-CG 3.35Å; V52-R56 PolarHBondContact O-N 3.31Å; G53-R56 PolarHBondContact O-N 3.47Å; R56-W59 PolarHBondContact O-N 2.62Å; R56-R60 VanDerWaalsContact CZ-NH2 3.28Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 3.1Å; R56-L90 HydrophobicContact CB-CD1 4.47Å; R56-L90 HydrophobicContact CG-CD1 3.47Å; R56-L90 VanDerWaalsContact CG-CD1 3.47Å; R56-Y128 VanDerWaalsContact CZ-CD1 3.44Å; R56-E131 IonicContact CZ-OE2 3.33Å; R56-E131 IonicContact NE-OE2 3.25Å; R56-E131 PolarHBondContact NE-OE2 3.04Å; R56-E131 IonicContact NH2-OE1 2.62Å; R56-E131 IonicContact NH2-OE2 3.49Å; R56-E131 PolarHBondContact NH2-OE2 3.43Å
57	S	98.3	Very high	97.9	Very high	68 Å²	68	49.2 Å²	49.2	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-44.8	176.3	-65.4	0	0	0	0	111.6	G53 R55 W59 R60 V61	G53-S57 PolarHBondContact O-N 3.4Å; G53-S57 PolarHBondContact O-OG 3.28Å; G53-S57 VanDerWaalsContact O-OG 3.14Å; R55-S57 PolarHBondContact O-N 2.88Å; S57-W59 PolarHBondContact O-N 3.49Å; S57-R60 PolarHBondContact O-N 3.28Å; S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.48Å
58	S	98.4	Very high	97.8	Very high	57 Å²	57	57.2 Å²	57.2	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-45.3	176.2	-57.1	0	0	0	0	111.4	A54 R55 R60 V61 V62	A54-S58 WeakPolarHBondContact O-CB 2.99Å; A54-S58 PolarHBondContact O-N 3Å; A54-S58 PolarHBondContact O-OG 2.92Å; R55-S58 PolarHBondContact O-N 2.87Å; S58-R60 PolarHBondContact O-N 2.87Å; S58-V61 PolarHBondContact O-N 2.95Å; S58-V62 VanDerWaalsContact O-CG2 3.3Å; S58-V62 WeakPolarHBondContact O-CG2 3.38Å; S58-V62 PolarHBondContact O-N 3.23Å
59	W	98.4	Very high	97.6	Very high	38 Å²	38	58.2 Å²	58.2	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-49.6	177.7	178.7	80.5	0	0	0	111.6	R55 R56 S57 V61 V62 S63 I86 E87 E131 V132	R55-W59 WeakPolarHBondContact O-CB 3.47Å; R55-W59 PolarHBondContact O-N 3.49Å; R56-W59 PolarHBondContact O-N 2.62Å; S57-W59 PolarHBondContact O-N 3.49Å; W59-V61 VanDerWaalsContact C-N 3.33Å; W59-V61 PolarHBondContact O-N 3.11Å; W59-V62 PolarHBondContact O-N 3.28Å; W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.07Å; W59-S63 PolarHBondContact O-OG 2.91Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; W59-E87 VanDerWaalsContact CD1-CG 3.47Å; W59-E87 VanDerWaalsContact NE1-CG 3.29Å; W59-E87 PolarHBondContact NE1-OE1 3.03Å; W59-E131 HydrophobicContact CH2-CG 4.07Å; W59-E131 HydrophobicContact CZ3-CG 3.74Å; W59-V132 HydrophobicContact CD2-CG1 3.89Å; W59-V132 HydrophobicContact CE3-CG1 4.31Å; W59-V132 HydrophobicContact CG-CG1 4.3Å; W59-V132 HydrophobicContact CH2-CG1 4.36Å; W59-V132 HydrophobicContact CZ2-CB 4.42Å; W59-V132 HydrophobicContact CZ2-CG1 3.94Å
60	R	97.8	Very high	97.2	Very high	97 Å²	97	59 Å²	59	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-42.7	178.7	-71.6	-175.7	-173	120.1	-3.9	113.2	R56 S57 S58 S64 E131	R56-R60 VanDerWaalsContact CZ-NH2 3.28Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 3.1Å; S57-R60 PolarHBondContact O-N 3.28Å; S58-R60 PolarHBondContact O-N 2.87Å; R60-S64 WeakPolarHBondContact O-CB 3.33Å; R60-S64 PolarHBondContact O-N 2.93Å; R60-E131 IonicContact CZ-OE1 3.9Å; R60-E131 VanDerWaalsContact CZ-OE1 3.27Å; R60-E131 IonicContact NE-OE1 3.66Å; R60-E131 PolarHBondContact NE-OE1 3.25Å; R60-E131 VanDerWaalsContact NE-OE1 3.12Å; R60-E131 IonicContact NH2-OE1 3.5Å; R60-E131 PolarHBondContact NH2-OE1 3.47Å; R60-E131 IonicContact NH2-OE2 2.9Å
61	V	98.2	Very high	96.9	Very high	89 Å²	89	59.8 Å²	59.8	54%	0.539	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-48	177.6	171.4	0	0	0	0	110.3	S57 S58 W59 S64 I65	S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.48Å; S58-V61 PolarHBondContact O-N 2.95Å; W59-V61 VanDerWaalsContact C-N 3.33Å; W59-V61 PolarHBondContact O-N 3.11Å; V61-S64 PolarHBondContact O-N 3.23Å; V61-I65 HydrophobicContact CG1-CD1 3.9Å; V61-I65 WeakPolarHBondContact O-CG1 3.5Å; V61-I65 PolarHBondContact O-N 3.18Å
62	V	98.1	Very high	96.7	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-39.8	-178.1	179.9	0	0	0	0	111.5	S58 W59 S64 I65 E66 A79 Y82 R83 I86	S58-V62 VanDerWaalsContact O-CG2 3.3Å; S58-V62 WeakPolarHBondContact O-CG2 3.38Å; S58-V62 PolarHBondContact O-N 3.23Å; W59-V62 PolarHBondContact O-N 3.28Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 3Å; V62-I65 PolarHBondContact O-N 2.97Å; V62-I65 VanDerWaalsContact O-N 3.14Å; V62-E66 PolarHBondContact O-N 2.85Å; V62-A79 VanDerWaalsContact CG1-O 3.25Å; V62-A79 WeakPolarHBondContact CG1-O 3.3Å; V62-Y82 HydrophobicContact CG1-CD1 4.04Å; V62-Y82 HydrophobicContact CG2-CD1 3.63Å; V62-Y82 HydrophobicContact CG2-CE1 3.89Å; V62-R83 HydrophobicContact CG1-CB 3.91Å; V62-I86 HydrophobicContact CB-CD1 4.27Å; V62-I86 HydrophobicContact CG2-CD1 3.77Å
63	S	96.9	Very high	96.5	Very high	19 Å²	19	69.1 Å²	69.1	13%	0.133	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-42	172.4	-62.5	0	0	0	0	111.8	W59 E66 Q67 R83	W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.07Å; W59-S63 PolarHBondContact O-OG 2.91Å; S63-E66 PolarHBondContact O-N 2.63Å; S63-Q67 WeakPolarHBondContact O-CG 3.32Å; S63-Q67 PolarHBondContact O-N 2.97Å; S63-Q67 VanDerWaalsContact O-N 3.13Å; S63-R83 WeakPolarHBondContact OG-CD 3.39Å
64	S	97.5	Very high	96.4	Very high	38 Å²	38	76 Å²	76	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-65.9	-37.8	174.7	-173	0	0	0	0	112.5	R60 V61 V62 K68	R60-S64 WeakPolarHBondContact O-CB 3.33Å; R60-S64 PolarHBondContact O-N 2.93Å; V61-S64 PolarHBondContact O-N 3.23Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 3Å; S64-K68 WeakPolarHBondContact O-CB 3.38Å; S64-K68 VanDerWaalsContact O-CG 3.3Å; S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.25Å; S64-K68 WeakPolarHBondContact OG-CE 3.31Å; S64-K68 PolarHBondContact OG-NZ 3.33Å
65	I	97.5	Very high	96.3	Very high	82 Å²	82	80.5 Å²	80.5	42%	0.421	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.2	-68.5	165.4	0	0	0	110.4	V61 V62 Q67 K68 T69 A79	V61-I65 HydrophobicContact CG1-CD1 3.9Å; V61-I65 WeakPolarHBondContact O-CG1 3.5Å; V61-I65 PolarHBondContact O-N 3.18Å; V62-I65 PolarHBondContact O-N 2.97Å; V62-I65 VanDerWaalsContact O-N 3.14Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.19Å; I65-K68 PolarHBondContact O-N 3.19Å; I65-T69 HydrophobicContact CG2-CG2 4.2Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.11Å; I65-T69 PolarHBondContact O-OG1 3.44Å; I65-A79 HydrophobicContact CG2-CB 4.22Å
66	E	96.7	Very high	96.2	Very high	20 Å²	20	79.8 Å²	79.8	9%	0.093	42%	0.416	C	S	.	.	H	α-helix	trans	-53.9	-50.5	177	-176.1	-178.6	173.3	0	0	110.4	V62 S63 K68 T69 Q76 A79 R80 R83	V62-E66 PolarHBondContact O-N 2.85Å; S63-E66 PolarHBondContact O-N 2.63Å; E66-K68 PolarHBondContact O-N 3.3Å; E66-T69 PolarHBondContact O-N 3.39Å; E66-T69 PolarHBondContact O-OG1 3.35Å; E66-Q76 HydrophobicContact CG-CG 4Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.37Å; E66-R80 HydrophobicContact CG-CB 4.47Å; E66-R80 WeakPolarHBondContact OE1-CB 3.38Å; E66-R80 IonicContact OE1-CZ 3.59Å; E66-R80 IonicContact OE1-NE 3.3Å; E66-R80 PolarHBondContact OE1-NE 2.74Å; E66-R80 IonicContact OE1-NH2 3.38Å; E66-R80 PolarHBondContact OE1-NH2 2.65Å; E66-R83 IonicContact OE1-NH2 2.81Å; E66-R83 IonicContact OE2-CZ 2.73Å; E66-R83 IonicContact OE2-NE 3.43Å; E66-R83 PolarHBondContact OE2-NE 3.46Å; E66-R83 IonicContact OE2-NH2 3.51Å; E66-R83 PolarHBondContact OE2-NH2 3.42Å
67	Q	95.7	Very high	96.2	Very high	139 Å²	139	82.6 Å²	82.6	65%	0.65	43%	0.43	S	S	*	.	H	α-helix	trans	-59.2	-46.5	177.1	-71	174.1	-9.7	0	0	112.5	S63 I65 T69 E70	S63-Q67 WeakPolarHBondContact O-CG 3.32Å; S63-Q67 PolarHBondContact O-N 2.97Å; S63-Q67 VanDerWaalsContact O-N 3.13Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.19Å; Q67-T69 PolarHBondContact O-N 3.32Å; Q67-E70 WeakPolarHBondContact O-CB 3.34Å; Q67-E70 PolarHBondContact O-N 2.91Å
68	K	96.5	Very high	96.2	Very high	169 Å²	169	84.9 Å²	84.9	74%	0.735	44%	0.435	S	S	*	.	H	α-helix	trans	-70.5	-14.2	-179.6	-72.1	170.7	-178.9	165.8	0	114.2	S64 I65 E66	S64-K68 WeakPolarHBondContact O-CB 3.38Å; S64-K68 VanDerWaalsContact O-CG 3.3Å; S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.25Å; S64-K68 WeakPolarHBondContact OG-CE 3.31Å; S64-K68 PolarHBondContact OG-NZ 3.33Å; I65-K68 PolarHBondContact O-N 3.19Å; E66-K68 PolarHBondContact O-N 3.3Å
69	T	94.1	Very high	96.2	Very high	26 Å²	26	82.7 Å²	82.7	16%	0.16	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11.5	177.1	57	0	0	0	0	113.3	I65 E66 Q67 G71 A72 K75 Q76	I65-T69 HydrophobicContact CG2-CG2 4.2Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.11Å; I65-T69 PolarHBondContact O-OG1 3.44Å; E66-T69 PolarHBondContact O-N 3.39Å; E66-T69 PolarHBondContact O-OG1 3.35Å; Q67-T69 PolarHBondContact O-N 3.32Å; T69-G71 PolarHBondContact O-N 3.15Å; T69-A72 WeakPolarHBondContact O-CB 3.37Å; T69-A72 PolarHBondContact O-N 3.34Å; T69-K75 HydrophobicContact CG2-CB 4.07Å; T69-Q76 VanDerWaalsContact OG1-CA 3.32Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.31Å
70	E	89.4	Confident	96.1	Very high	157 Å²	157	85.4 Å²	85.4	73%	0.734	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	131.1	172.3	-170.5	171.4	-162.3	0	0	111.2	Q67 A72	Q67-E70 WeakPolarHBondContact O-CB 3.34Å; Q67-E70 PolarHBondContact O-N 2.91Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.88Å
71	G	91.7	Very high	96.1	Very high	75 Å²	75	85.8 Å²	85.8	77%	0.773	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-12.9	-172.8	0	0	0	0	0	115.2	T69	T69-G71 PolarHBondContact O-N 3.15Å
72	A	94.7	Very high	96.1	Very high	41 Å²	41	87.7 Å²	87.7	34%	0.339	44%	0.435	S	S	.	.			trans	-104.3	71.4	171.3	0	0	0	0	0	110.7	T69 E70 K74 K75 Q76	T69-A72 WeakPolarHBondContact O-CB 3.37Å; T69-A72 PolarHBondContact O-N 3.34Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.88Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.47Å; A72-K75 HydrophobicContact CB-CB 4.2Å; A72-K75 HydrophobicContact CB-CD 4.37Å; A72-K75 WeakPolarHBondContact O-CA 3.48Å; A72-K75 PolarHBondContact O-N 3.2Å; A72-Q76 PolarHBondContact O-N 3.49Å
73	E	93.9	Very high	96.1	Very high	163 Å²	163	89.3 Å²	89.3	76%	0.762	44%	0.439	S	S	*	.	H	α-helix	trans	-40.5	-52	-168.6	-66.2	-179.2	175.3	0	0	114.5	K75 Q76 Q77	E73-K75 PolarHBondContact O-N 2.99Å; E73-Q76 PolarHBondContact O-N 3.12Å; E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 PolarHBondContact O-N 3.45Å
74	K	96.1	Very high	96.1	Very high	169 Å²	169	92.5 Å²	92.5	74%	0.735	45%	0.452	S	S	*	.	H	α-helix	trans	-62.9	-41	-179.2	-174.3	175.7	-179.5	177.8	0	112.9	A72 M78	A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.47Å; K74-M78 HydrophobicContact CG-SD 4.41Å; K74-M78 VanDerWaalsContact O-CG 3.25Å; K74-M78 WeakPolarHBondContact O-CG 3.39Å; K74-M78 PolarHBondContact O-N 3.1Å; K74-M78 VanDerWaalsContact O-N 3.15Å
75	K	95.8	Very high	96.2	Very high	142 Å²	142	96.3 Å²	96.3	62%	0.617	46%	0.464	S	S	*	.	H	α-helix	trans	-70.8	-41.7	178.8	-70.4	-175.5	177.8	179.2	0	110.8	T69 A72 E73 M78 A79	T69-K75 HydrophobicContact CG2-CB 4.07Å; A72-K75 HydrophobicContact CB-CB 4.2Å; A72-K75 HydrophobicContact CB-CD 4.37Å; A72-K75 WeakPolarHBondContact O-CA 3.48Å; A72-K75 PolarHBondContact O-N 3.2Å; E73-K75 PolarHBondContact O-N 2.99Å; K75-M78 PolarHBondContact O-N 3.01Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 2.95Å
76	Q	97.1	Very high	96.2	Very high	46 Å²	46	92.6 Å²	92.6	22%	0.215	45%	0.445	C	S	.	.	H	α-helix	trans	-62.2	-44.1	177.3	-168.6	176.8	26.4	0	0	111.4	E66 T69 A72 E73 A79 R80	E66-Q76 HydrophobicContact CG-CG 4Å; T69-Q76 VanDerWaalsContact OG1-CA 3.32Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.31Å; A72-Q76 PolarHBondContact O-N 3.49Å; E73-Q76 PolarHBondContact O-N 3.12Å; Q76-A79 PolarHBondContact O-N 3.45Å; Q76-R80 WeakPolarHBondContact O-CB 3.4Å; Q76-R80 PolarHBondContact O-N 2.87Å
77	Q	97.4	Very high	96.3	Very high	86 Å²	86	92.6 Å²	92.6	40%	0.402	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.2	-177.5	59.5	27.8	0	0	112	E73 A79 R80 E81	E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 PolarHBondContact O-N 3.45Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.29Å; Q77-R80 WeakPolarHBondContact O-CB 3.36Å; Q77-R80 PolarHBondContact O-N 2.98Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.06Å; Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.09Å
78	M	97.7	Very high	96.4	Very high	116 Å²	116	89.1 Å²	89.1	57%	0.571	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-39.9	176.1	-71.4	174.4	67.2	0	0	112.3	K74 K75 Y82	K74-M78 HydrophobicContact CG-SD 4.41Å; K74-M78 VanDerWaalsContact O-CG 3.25Å; K74-M78 WeakPolarHBondContact O-CG 3.39Å; K74-M78 PolarHBondContact O-N 3.1Å; K74-M78 VanDerWaalsContact O-N 3.15Å; K75-M78 PolarHBondContact O-N 3.01Å; M78-Y82 WeakPolarHBondContact O-CB 3.19Å; M78-Y82 PolarHBondContact O-N 3.4Å
79	A	97.7	Very high	96.4	Very high	11 Å²	11	84.1 Å²	84.1	9%	0.091	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-42.4	176.6	0	0	0	0	0	111.4	V62 I65 E66 K75 Q76 Q77 Y82 R83	V62-A79 VanDerWaalsContact CG1-O 3.25Å; V62-A79 WeakPolarHBondContact CG1-O 3.3Å; I65-A79 HydrophobicContact CG2-CB 4.22Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.37Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 2.95Å; Q76-A79 PolarHBondContact O-N 3.45Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.29Å; A79-Y82 PolarHBondContact O-N 2.96Å; A79-R83 WeakPolarHBondContact O-CB 3.35Å; A79-R83 PolarHBondContact O-N 3.42Å
80	R	97.6	Very high	96.6	Very high	95 Å²	95	82.9 Å²	82.9	36%	0.358	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-52.2	175.7	179.6	174.6	-62.9	-177.3	3.8	112.5	E66 Q76 Q77 Y82 R83 E84	E66-R80 HydrophobicContact CG-CB 4.47Å; E66-R80 WeakPolarHBondContact OE1-CB 3.38Å; E66-R80 IonicContact OE1-CZ 3.59Å; E66-R80 IonicContact OE1-NE 3.3Å; E66-R80 PolarHBondContact OE1-NE 2.74Å; E66-R80 IonicContact OE1-NH2 3.38Å; E66-R80 PolarHBondContact OE1-NH2 2.65Å; Q76-R80 WeakPolarHBondContact O-CB 3.4Å; Q76-R80 PolarHBondContact O-N 2.87Å; Q77-R80 WeakPolarHBondContact O-CB 3.36Å; Q77-R80 PolarHBondContact O-N 2.98Å; R80-Y82 PolarHBondContact O-N 3.4Å; R80-R83 WeakPolarHBondContact O-CB 3.36Å; R80-R83 PolarHBondContact O-N 3Å; R80-R83 VanDerWaalsContact O-N 3.1Å; R80-E84 HydrophobicContact CG-CG 4.5Å; R80-E84 WeakPolarHBondContact CG-OE1 3.26Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.47Å
81	E	98.1	Very high	97	Very high	105 Å²	105	79.8 Å²	79.8	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-39.4	179.5	-73.2	170.2	-171.5	0	0	111.4	Q77 K85	Q77-E81 WeakPolarHBondContact CG-OE1 3.06Å; Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 3.09Å; E81-K85 PolarHBondContact O-N 3.27Å; E81-K85 VanDerWaalsContact O-N 3.13Å
82	Y	98.2	Very high	97.3	Very high	130 Å²	130	81 Å²	81	51%	0.51	38%	0.375	S	S	.	.	H	α-helix	trans	-72.4	-36.5	177.1	-165.1	-123.6	0	0	0	112.6	V62 M78 A79 R80 K85 I86	V62-Y82 HydrophobicContact CG1-CD1 4.04Å; V62-Y82 HydrophobicContact CG2-CD1 3.63Å; V62-Y82 HydrophobicContact CG2-CE1 3.89Å; M78-Y82 WeakPolarHBondContact O-CB 3.19Å; M78-Y82 PolarHBondContact O-N 3.4Å; A79-Y82 PolarHBondContact O-N 2.96Å; R80-Y82 PolarHBondContact O-N 3.4Å; Y82-K85 HydrophobicContact CD2-CD 4.39Å; Y82-K85 HydrophobicContact CE2-CD 4.4Å; Y82-K85 WeakPolarHBondContact O-CB 3.18Å; Y82-K85 PolarHBondContact O-N 3.18Å; Y82-I86 HydrophobicContact CD1-CD1 4.09Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.07Å; Y82-I86 PolarHBondContact O-N 3.21Å; Y82-I86 VanDerWaalsContact O-N 3.14Å
83	R	97.8	Very high	97.5	Very high	46 Å²	46	80.1 Å²	80.1	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-50.6	171.8	-179.1	-178	53.9	76.8	4.4	110.7	V62 S63 E66 A79 R80 K85 I86 E87	V62-R83 HydrophobicContact CG1-CB 3.91Å; S63-R83 WeakPolarHBondContact OG-CD 3.39Å; E66-R83 IonicContact OE1-NH2 2.81Å; E66-R83 IonicContact OE2-CZ 2.73Å; E66-R83 IonicContact OE2-NE 3.43Å; E66-R83 PolarHBondContact OE2-NE 3.46Å; E66-R83 IonicContact OE2-NH2 3.51Å; E66-R83 PolarHBondContact OE2-NH2 3.42Å; A79-R83 WeakPolarHBondContact O-CB 3.35Å; A79-R83 PolarHBondContact O-N 3.42Å; R80-R83 WeakPolarHBondContact O-CB 3.36Å; R80-R83 PolarHBondContact O-N 3Å; R80-R83 VanDerWaalsContact O-N 3.1Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.9Å; R83-I86 PolarHBondContact O-N 2.81Å; R83-E87 HydrophobicContact CG-CG 4.43Å; R83-E87 IonicContact CZ-OE1 2.7Å; R83-E87 IonicContact NH1-OE1 3.81Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.41Å; R83-E87 PolarHBondContact NH1-OE2 2.89Å; R83-E87 WeakPolarHBondContact O-CG 3.39Å; R83-E87 PolarHBondContact O-N 3.5Å
84	E	97.5	Very high	97.7	Very high	87 Å²	87	72.3 Å²	72.3	41%	0.407	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-35	-179.2	-71.6	171.8	-176.9	0	0	112.4	R80 E87 T88	R80-E84 HydrophobicContact CG-CG 4.5Å; R80-E84 WeakPolarHBondContact CG-OE1 3.26Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.47Å; E84-E87 PolarHBondContact O-N 2.93Å; E84-T88 PolarHBondContact O-N 3.28Å; E84-T88 PolarHBondContact O-OG1 2.87Å
85	K	98.4	Very high	97.8	Very high	118 Å²	118	68 Å²	68	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-48.6	170.6	-179.6	-179.6	174.1	-179.1	0	111.6	E81 Y82 R83 E87 T88 E89	E81-K85 PolarHBondContact O-N 3.27Å; E81-K85 VanDerWaalsContact O-N 3.13Å; Y82-K85 HydrophobicContact CD2-CD 4.39Å; Y82-K85 HydrophobicContact CE2-CD 4.4Å; Y82-K85 WeakPolarHBondContact O-CB 3.18Å; Y82-K85 PolarHBondContact O-N 3.18Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.9Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.37Å; K85-T88 WeakPolarHBondContact O-CB 3.46Å; K85-T88 PolarHBondContact O-N 3.45Å; K85-E89 VanDerWaalsContact CE-OE1 3.26Å; K85-E89 WeakPolarHBondContact CE-OE1 3.16Å; K85-E89 PolarHBondContact O-N 3.3Å; K85-E89 VanDerWaalsContact O-N 3.07Å
86	I	98.3	Very high	97.9	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-38	179.2	-62	164.2	0	0	0	110.9	R55 W59 V62 Y82 R83 T88 E89 L90	R55-I86 HydrophobicContact CB-CG2 4.29Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.5Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; V62-I86 HydrophobicContact CB-CD1 4.27Å; V62-I86 HydrophobicContact CG2-CD1 3.77Å; Y82-I86 HydrophobicContact CD1-CD1 4.09Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.07Å; Y82-I86 PolarHBondContact O-N 3.21Å; Y82-I86 VanDerWaalsContact O-N 3.14Å; R83-I86 PolarHBondContact O-N 2.81Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.43Å; I86-E89 PolarHBondContact O-N 2.95Å; I86-L90 WeakPolarHBondContact O-CB 3.24Å; I86-L90 PolarHBondContact O-N 3.44Å
87	E	97.7	Very high	98	Very high	20 Å²	20	61.1 Å²	61.1	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-38.2	175.3	-69.7	174.6	174.4	0	0	112.2	W59 R83 E84 K85 R91 V132	W59-E87 VanDerWaalsContact CD1-CG 3.47Å; W59-E87 VanDerWaalsContact NE1-CG 3.29Å; W59-E87 PolarHBondContact NE1-OE1 3.03Å; R83-E87 HydrophobicContact CG-CG 4.43Å; R83-E87 IonicContact CZ-OE1 2.7Å; R83-E87 IonicContact NH1-OE1 3.81Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.41Å; R83-E87 PolarHBondContact NH1-OE2 2.89Å; R83-E87 WeakPolarHBondContact O-CG 3.39Å; R83-E87 PolarHBondContact O-N 3.5Å; E84-E87 PolarHBondContact O-N 2.93Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.37Å; E87-R91 VanDerWaalsContact O-CB 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.25Å; E87-R91 PolarHBondContact O-N 3.21Å; 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	57.2 Å²	57.2	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-49.2	174.5	-56.8	0	0	0	0	111	E84 K85 I86 L90 R91 D92	E84-T88 PolarHBondContact O-N 3.28Å; E84-T88 PolarHBondContact O-OG1 2.87Å; K85-T88 WeakPolarHBondContact O-CB 3.46Å; K85-T88 PolarHBondContact O-N 3.45Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.43Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.22Å; T88-R91 PolarHBondContact O-N 2.97Å; T88-D92 VanDerWaalsContact O-CG 3.28Å; T88-D92 PolarHBondContact O-N 3.09Å
89	E	98.2	Very high	98.1	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-45	176.1	-66.8	176.3	-164.2	0	0	111.8	R55 K85 I86 R91 D92 I93	R55-E89 HydrophobicContact CG-CB 4.24Å; R55-E89 IonicContact NE-OE2 2.85Å; K85-E89 VanDerWaalsContact CE-OE1 3.26Å; K85-E89 WeakPolarHBondContact CE-OE1 3.16Å; K85-E89 PolarHBondContact O-N 3.3Å; K85-E89 VanDerWaalsContact O-N 3.07Å; I86-E89 PolarHBondContact O-N 2.95Å; E89-R91 PolarHBondContact O-N 2.73Å; E89-D92 PolarHBondContact O-N 3.16Å; E89-I93 VanDerWaalsContact O-CD1 3.3Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.49Å; E89-I93 PolarHBondContact O-N 3.09Å
90	L	98	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-43.9	178	-173.2	152.5	0	0	0	111.4	V52 R55 R56 I86 T88 D92 I93 C94 L129 V132	V52-L90 HydrophobicContact CG2-CG 4.35Å; R55-L90 HydrophobicContact CB-CB 4.44Å; R56-L90 HydrophobicContact CB-CD1 4.47Å; R56-L90 HydrophobicContact CG-CD1 3.47Å; R56-L90 VanDerWaalsContact CG-CD1 3.47Å; I86-L90 WeakPolarHBondContact O-CB 3.24Å; I86-L90 PolarHBondContact O-N 3.44Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.22Å; L90-D92 VanDerWaalsContact C-N 3.35Å; L90-I93 PolarHBondContact O-N 3.16Å; L90-C94 WeakPolarHBondContact O-CB 3.3Å; L90-C94 PolarHBondContact O-N 3.02Å; L90-C94 PolarHBondContact O-SG 3.43Å; L90-L129 HydrophobicContact CD2-CD2 4.46Å; L90-V132 HydrophobicContact CD1-CG1 4.09Å; L90-V132 HydrophobicContact CD2-CG1 4.35Å; L90-V132 HydrophobicContact CD2-CG2 3.88Å
91	R	97.8	Very high	98.2	Very high	92 Å²	92	48.4 Å²	48.4	35%	0.347	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-43.9	177.7	-174.8	-178	-57.9	98.8	2.6	111.5	E87 T88 E89 C94 N95 L129	E87-R91 VanDerWaalsContact O-CB 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.25Å; E87-R91 PolarHBondContact O-N 3.21Å; T88-R91 PolarHBondContact O-N 2.97Å; E89-R91 PolarHBondContact O-N 2.73Å; R91-C94 PolarHBondContact O-N 3.4Å; R91-N95 WeakPolarHBondContact O-CB 3.3Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 3.25Å; R91-N95 PolarHBondContact O-ND2 2.7Å; R91-L129 HydrophobicContact CB-CD2 4.13Å; R91-L129 HydrophobicContact CG-CD2 3.96Å
92	D	98.3	Very high	98.2	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-46.3	178.7	-68.1	-17.3	0	0	0	111.2	T88 E89 L90 C94 N95 D96	T88-D92 VanDerWaalsContact O-CG 3.28Å; T88-D92 PolarHBondContact O-N 3.09Å; E89-D92 PolarHBondContact O-N 3.16Å; L90-D92 VanDerWaalsContact C-N 3.35Å; D92-C94 PolarHBondContact O-N 3.06Å; D92-N95 PolarHBondContact O-N 3.17Å; D92-D96 WeakPolarHBondContact O-CB 3.41Å; D92-D96 PolarHBondContact O-N 3.17Å
93	I	98.4	Very high	98.3	Very high	22 Å²	22	47.8 Å²	47.8	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176	-66.2	156.1	0	0	0	111	Y48 V51 V52 R55 E89 L90 D96 V97	Y48-I93 HydrophobicContact CD1-CG2 4.16Å; V51-I93 HydrophobicContact CG1-CD1 3.64Å; V51-I93 HydrophobicContact CG1-CG1 3.95Å; V51-I93 HydrophobicContact CG1-CG2 4.04Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; R55-I93 HydrophobicContact CG-CD1 3.96Å; E89-I93 VanDerWaalsContact O-CD1 3.3Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 3.49Å; E89-I93 PolarHBondContact O-N 3.09Å; L90-I93 PolarHBondContact O-N 3.16Å; I93-D96 WeakPolarHBondContact O-CB 3.48Å; I93-D96 PolarHBondContact O-N 3.47Å; I93-V97 WeakPolarHBondContact O-CG2 3.48Å; I93-V97 PolarHBondContact O-N 2.85Å
94	C	98.5	Very high	98.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-44.7	-179	-65.6	0	0	0	0	111.8	L90 R91 D92 D96 V97 L98 Y125 L129	L90-C94 WeakPolarHBondContact O-CB 3.3Å; L90-C94 PolarHBondContact O-N 3.02Å; L90-C94 PolarHBondContact O-SG 3.43Å; R91-C94 PolarHBondContact O-N 3.4Å; D92-C94 PolarHBondContact O-N 3.06Å; C94-D96 VanDerWaalsContact C-N 3.27Å; C94-D96 PolarHBondContact O-N 2.99Å; C94-V97 PolarHBondContact O-N 3.09Å; C94-L98 WeakPolarHBondContact O-CB 3.21Å; C94-L98 WeakPolarHBondContact O-CG 3.43Å; C94-L98 PolarHBondContact O-N 2.92Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; 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	44.3 Å²	44.3	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-33.3	178.4	-75.2	-26.9	0	0	0	112.4	R91 D92 S99	R91-N95 WeakPolarHBondContact O-CB 3.3Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 3.25Å; R91-N95 PolarHBondContact O-ND2 2.7Å; D92-N95 PolarHBondContact O-N 3.17Å; N95-S99 WeakPolarHBondContact O-CB 3.22Å; N95-S99 PolarHBondContact O-N 3.18Å
96	D	98.2	Very high	98.3	Very high	42 Å²	42	40.2 Å²	40.2	23%	0.225	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-51.1	173.5	-167.2	34.9	0	0	0	111.2	K27 Y48 D92 I93 C94 L98 S99 L100	K27-D96 WeakPolarHBondContact CD-OD2 3.41Å; K27-D96 VanDerWaalsContact CE-OD1 3.24Å; K27-D96 WeakPolarHBondContact CE-OD1 3.44Å; K27-D96 IonicContact NZ-OD1 3.35Å; K27-D96 PolarHBondContact NZ-OD1 3.37Å; K27-D96 IonicContact NZ-OD2 2.76Å; K27-D96 PolarHBondContact NZ-OD2 2.92Å; Y48-D96 PolarHBondContact OH-OD2 3.36Å; D92-D96 WeakPolarHBondContact O-CB 3.41Å; D92-D96 PolarHBondContact O-N 3.17Å; I93-D96 WeakPolarHBondContact O-CB 3.48Å; I93-D96 PolarHBondContact O-N 3.47Å; C94-D96 VanDerWaalsContact C-N 3.27Å; C94-D96 PolarHBondContact O-N 2.99Å; D96-L98 PolarHBondContact O-N 3.44Å; D96-S99 PolarHBondContact O-N 3.45Å; D96-L100 WeakPolarHBondContact O-CG 3.36Å; D96-L100 PolarHBondContact O-N 3.47Å
97	V	98.5	Very high	98.3	Very high	2 Å²	2	44 Å²	44	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-45.5	177	173.8	0	0	0	0	112.1	Y48 I93 C94 S99 L100 L101 M121 Y125	Y48-V97 HydrophobicContact CD1-CG2 3.11Å; Y48-V97 HydrophobicContact CD2-CG2 3.85Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.12Å; Y48-V97 HydrophobicContact CG-CG2 3.32Å; I93-V97 WeakPolarHBondContact O-CG2 3.48Å; I93-V97 PolarHBondContact O-N 2.85Å; C94-V97 PolarHBondContact O-N 3.09Å; V97-S99 VanDerWaalsContact C-N 3.28Å; V97-S99 PolarHBondContact O-N 2.82Å; V97-L100 WeakPolarHBondContact O-CB 3.37Å; V97-L100 PolarHBondContact O-N 2.9Å; V97-L100 VanDerWaalsContact O-N 3.1Å; V97-L101 HydrophobicContact CG1-CD1 3.67Å; V97-L101 HydrophobicContact CG1-CG 4.15Å; V97-L101 VanDerWaalsContact O-CG 3.3Å; V97-L101 WeakPolarHBondContact O-CG 3.36Å; V97-L101 PolarHBondContact O-N 3.42Å; V97-M121 HydrophobicContact CG1-CE 3.61Å; V97-Y125 HydrophobicContact CB-CD1 3.96Å; V97-Y125 HydrophobicContact CB-CD2 4.27Å; V97-Y125 HydrophobicContact CB-CE1 3.99Å; V97-Y125 HydrophobicContact CB-CE2 4.37Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.11Å; V97-Y125 HydrophobicContact CG1-CD2 3.51Å; V97-Y125 HydrophobicContact CG1-CE1 4.13Å; V97-Y125 HydrophobicContact CG1-CE2 3.6Å; V97-Y125 HydrophobicContact CG1-CG 3.81Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.7Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å
98	L	98.8	Very high	98.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-41.9	178.3	-70.7	170.6	0	0	0	110.9	C94 D96 L100 L101 E102 K122 Y126 L129	C94-L98 WeakPolarHBondContact O-CB 3.21Å; C94-L98 WeakPolarHBondContact O-CG 3.43Å; C94-L98 PolarHBondContact O-N 2.92Å; D96-L98 PolarHBondContact O-N 3.44Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 2.83Å; L98-L101 HydrophobicContact CD2-CD1 4.49Å; L98-L101 PolarHBondContact O-N 2.84Å; L98-E102 WeakPolarHBondContact O-CB 3.36Å; L98-E102 VanDerWaalsContact O-CG 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.48Å; L98-E102 PolarHBondContact O-N 2.81Å; L98-K122 HydrophobicContact CD2-CG 3.89Å; L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.44Å; L98-Y126 HydrophobicContact CD1-CE1 3.64Å; L98-Y126 HydrophobicContact CD1-CE2 4.17Å; L98-Y126 HydrophobicContact CD1-CG 4.31Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.49Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.45Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å
99	S	98.7	Very high	98.2	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-39.7	174.6	179.9	0	0	0	0	112.1	N95 D96 V97 K103	N95-S99 WeakPolarHBondContact O-CB 3.22Å; N95-S99 PolarHBondContact O-N 3.18Å; D96-S99 PolarHBondContact O-N 3.45Å; V97-S99 VanDerWaalsContact C-N 3.28Å; V97-S99 PolarHBondContact O-N 2.82Å; S99-K103 VanDerWaalsContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CB 3.49Å; S99-K103 WeakPolarHBondContact O-CG 3.31Å; S99-K103 PolarHBondContact O-N 3.39Å; S99-K103 WeakPolarHBondContact OG-CD 3.26Å; S99-K103 WeakPolarHBondContact OG-CE 3.5Å; S99-K103 PolarHBondContact OG-NZ 3.43Å
100	L	98.8	Very high	98.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-43.8	175.7	-66.7	176.3	0	0	0	112.1	K27 T30 E31 L44 Y48 D96 V97 L98 F104 L105	K27-L100 HydrophobicContact CB-CD1 4.16Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å; T30-L100 HydrophobicContact CG2-CB 4.19Å; T30-L100 HydrophobicContact CG2-CD2 4Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; L44-L100 HydrophobicContact CD1-CD1 4.47Å; Y48-L100 HydrophobicContact CE2-CD1 3.96Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.42Å; D96-L100 WeakPolarHBondContact O-CG 3.36Å; D96-L100 PolarHBondContact O-N 3.47Å; V97-L100 WeakPolarHBondContact O-CB 3.37Å; V97-L100 PolarHBondContact O-N 2.9Å; V97-L100 VanDerWaalsContact O-N 3.1Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 2.83Å; L100-F104 HydrophobicContact CD2-CD2 4.03Å; L100-F104 HydrophobicContact CD2-CE2 4.28Å; L100-F104 PolarHBondContact O-N 2.79Å; L100-L105 HydrophobicContact CB-CD1 4.36Å; L100-L105 PolarHBondContact O-N 3.02Å; L100-L105 VanDerWaalsContact O-N 3.14Å
101	L	98.8	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-60.4	-47.8	178.6	-71.8	166.6	0	0	0	111.6	V97 L98 L105 I106 Y118 M121 K122	V97-L101 HydrophobicContact CG1-CD1 3.67Å; V97-L101 HydrophobicContact CG1-CG 4.15Å; V97-L101 VanDerWaalsContact O-CG 3.3Å; V97-L101 WeakPolarHBondContact O-CG 3.36Å; V97-L101 PolarHBondContact O-N 3.42Å; L98-L101 HydrophobicContact CD2-CD1 4.49Å; L98-L101 PolarHBondContact O-N 2.84Å; L101-L105 HydrophobicContact CD2-CB 4.34Å; L101-L105 HydrophobicContact CD2-CD1 3.79Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 PolarHBondContact O-N 2.89Å; L101-I106 HydrophobicContact CB-CD1 4.09Å; L101-I106 HydrophobicContact CB-CG1 4.47Å; L101-I106 WeakPolarHBondContact O-CB 3.25Å; L101-I106 WeakPolarHBondContact O-CG1 3.42Å; L101-I106 PolarHBondContact O-N 2.87Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L101-M121 HydrophobicContact CD1-CB 4.28Å; L101-M121 HydrophobicContact CD1-CG 4.13Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.38Å; L101-M121 HydrophobicContact CD2-SD 4.24Å; L101-K122 HydrophobicContact CD1-CB 4Å
102	E	98.4	Very high	98	Very high	86 Å²	86	47.6 Å²	47.6	40%	0.402	26%	0.257	S	S	.	.	I	π-helix	trans	-75.5	-35.4	-175.1	-68.8	-177.8	155.4	0	0	113.5	L98 P107 K122	L98-E102 WeakPolarHBondContact O-CB 3.36Å; L98-E102 VanDerWaalsContact O-CG 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.48Å; L98-E102 PolarHBondContact O-N 2.81Å; E102-P107 WeakPolarHBondContact O-CD 3.28Å; E102-P107 WeakPolarHBondContact O-CG 3.46Å; E102-K122 WeakPolarHBondContact OE1-CE 3.34Å; E102-K122 IonicContact OE1-NZ 2.69Å; E102-K122 PolarHBondContact OE1-NZ 2.58Å
103	K	98.3	Very high	97.9	Very high	136 Å²	136	46.5 Å²	46.5	59%	0.591	25%	0.249	S	C	*	.	I	π-helix	trans	-90	-33.7	-175.4	-66	176.5	-176.8	158.5	0	113.8	S99	S99-K103 VanDerWaalsContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CB 3.49Å; S99-K103 WeakPolarHBondContact O-CG 3.31Å; S99-K103 PolarHBondContact O-N 3.39Å; S99-K103 WeakPolarHBondContact OG-CD 3.26Å; S99-K103 WeakPolarHBondContact OG-CE 3.5Å; S99-K103 PolarHBondContact OG-NZ 3.43Å
104	F	98.4	Very high	97.9	Very high	52 Å²	52	45.7 Å²	45.7	23%	0.228	25%	0.245	C	C	.	.	I	π-helix	trans	-125.6	-36.2	-167.5	-57.2	-78.9	0	0	0	114.2	T30 E31 L100 N108	T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.5Å; T30-F104 HydrophobicContact CG2-CG 4.39Å; E31-F104 HydrophobicContact CB-CE2 4.45Å; E31-F104 HydrophobicContact CB-CZ 4.25Å; E31-F104 HydrophobicContact CG-CD2 4.44Å; E31-F104 HydrophobicContact CG-CE2 3.85Å; E31-F104 HydrophobicContact CG-CZ 4.09Å; L100-F104 HydrophobicContact CD2-CD2 4.03Å; L100-F104 HydrophobicContact CD2-CE2 4.28Å; L100-F104 PolarHBondContact O-N 2.79Å; F104-N108 VanDerWaalsContact O-CB 3.27Å; F104-N108 WeakPolarHBondContact O-CB 3.44Å; F104-N108 PolarHBondContact O-ND2 3.34Å
105	L	98.6	Very high	97.9	Very high	7 Å²	7	49 Å²	49	4%	0.037	26%	0.259	C	S	.	.	I	π-helix	trans	-93.6	-54.5	-168.6	-59.1	166.6	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 3.59Å; T30-L105 HydrophobicContact CG2-CG 3.72Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.85Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.38Å; L100-L105 HydrophobicContact CB-CD1 4.36Å; L100-L105 PolarHBondContact O-N 3.02Å; L100-L105 VanDerWaalsContact O-N 3.14Å; L101-L105 HydrophobicContact CD2-CB 4.34Å; L101-L105 HydrophobicContact CD2-CD1 3.79Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 PolarHBondContact O-N 2.89Å; L105-N108 PolarHBondContact O-N 3.28Å; L105-A109 WeakPolarHBondContact O-CB 3.25Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-Y118 HydrophobicContact CB-CD1 3.85Å; L105-Y118 HydrophobicContact CB-CD2 3.85Å; L105-Y118 HydrophobicContact CB-CE1 3.89Å; L105-Y118 HydrophobicContact CB-CE2 3.92Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.08Å; L105-Y118 HydrophobicContact CD1-CE1 3.98Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.49Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.15Å
106	I	98.4	Very high	97.9	Very high	32 Å²	32	45.3 Å²	45.3	16%	0.164	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-45.2	-179.4	-63.8	168.1	0	0	0	111.3	L101 N108 A109 L119 K122	L101-I106 HydrophobicContact CB-CD1 4.09Å; L101-I106 HydrophobicContact CB-CG1 4.47Å; L101-I106 WeakPolarHBondContact O-CB 3.25Å; L101-I106 WeakPolarHBondContact O-CG1 3.42Å; L101-I106 PolarHBondContact O-N 2.87Å; I106-N108 VanDerWaalsContact C-N 3.3Å; I106-N108 PolarHBondContact O-N 3.36Å; I106-A109 PolarHBondContact O-N 3.29Å; I106-L119 HydrophobicContact CD1-CD2 4.06Å; I106-K122 HydrophobicContact CD1-CB 4.37Å; I106-K122 HydrophobicContact CD1-CD 3.84Å
107	P	97.7	Very high	97.9	Very high	83 Å²	83	44.7 Å²	44.7	54%	0.539	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.6	179.3	-23	35.1	0	0	0	114.4	E102	E102-P107 WeakPolarHBondContact O-CD 3.28Å; E102-P107 WeakPolarHBondContact O-CG 3.46Å
108	N	96.3	Very high	97.9	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.4	-177.4	-66.2	-37.2	0	0	0	113.6	G33 F104 L105 I106 S110	G33-N108 PolarHBondContact O-ND2 2.78Å; G33-N108 VanDerWaalsContact O-ND2 3.14Å; F104-N108 VanDerWaalsContact O-CB 3.27Å; F104-N108 WeakPolarHBondContact O-CB 3.44Å; F104-N108 PolarHBondContact O-ND2 3.34Å; L105-N108 PolarHBondContact O-N 3.28Å; I106-N108 VanDerWaalsContact C-N 3.3Å; I106-N108 PolarHBondContact O-N 3.36Å; N108-S110 PolarHBondContact O-N 2.76Å
109	A	97.3	Very high	97.9	Very high	18 Å²	18	44.6 Å²	44.6	15%	0.149	23%	0.234	C	C	.	.			trans	-71.5	109.2	178.9	0	0	0	0	0	110.6	L105 I106 K115 Y118	L105-A109 WeakPolarHBondContact O-CB 3.25Å; L105-A109 PolarHBondContact O-N 3.49Å; I106-A109 PolarHBondContact O-N 3.29Å; A109-K115 HydrophobicContact CB-CB 4.12Å; A109-Y118 HydrophobicContact CB-CD2 3.94Å; A109-Y118 HydrophobicContact CB-CE2 4.07Å
110	S	96	Very high	97.9	Very high	76 Å²	76	44.7 Å²	44.7	53%	0.531	23%	0.23	S	C	.	.			trans	-85.4	-28	-178.8	65.4	0	0	0	0	113	E35 N108	E35-S110 VanDerWaalsContact CD-OG 3.27Å; E35-S110 PolarHBondContact OE1-N 2.93Å; E35-S110 PolarHBondContact OE1-OG 2.91Å; E35-S110 VanDerWaalsContact OE1-OG 3.08Å; E35-S110 VanDerWaalsContact OE2-CB 3.29Å; E35-S110 WeakPolarHBondContact OE2-CB 3.06Å; E35-S110 PolarHBondContact OE2-OG 3.07Å; N108-S110 PolarHBondContact O-N 2.76Å
111	Q	96.2	Very high	97.9	Very high	115 Å²	115	45 Å²	45	54%	0.537	23%	0.232	S	C	.	.	S	Bend	trans	-100.1	143.2	-178.5	-59.2	-56.3	-48	0	0	112.2	E113 S114 K115	Q111-E113 PolarHBondContact O-N 3.21Å; Q111-S114 PolarHBondContact O-N 3.28Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; Q111-K115 PolarHBondContact O-N 2.95Å
112	P	96.9	Very high	97.9	Very high	45 Å²	45	46.5 Å²	46.5	29%	0.292	24%	0.238	S	C	.	.	H	α-helix	trans	-52.8	-41.1	174.3	-27.5	35	0	0	0	113.2	S114 K115 V116 I155 E159	P112-S114 PolarHBondContact O-N 2.91Å; P112-K115 PolarHBondContact O-N 2.85Å; P112-V116 WeakPolarHBondContact O-CG2 3.46Å; P112-V116 PolarHBondContact O-N 3.43Å; P112-I155 HydrophobicContact CB-CG2 4.27Å; P112-E159 HydrophobicContact CB-CB 3.64Å; P112-E159 HydrophobicContact CB-CG 3.94Å; P112-E159 HydrophobicContact CG-CB 4.07Å; P112-E159 HydrophobicContact CG-CG 4.09Å
113	E	96.7	Very high	97.9	Very high	78 Å²	78	42.4 Å²	42.4	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-58.5	-48.3	177.8	-69.1	179.4	-168.2	0	0	112.7	Q111 K115 V116 F117 M160 H164 I166	Q111-E113 PolarHBondContact O-N 3.21Å; E113-K115 VanDerWaalsContact C-N 3.33Å; E113-K115 PolarHBondContact O-N 3.39Å; E113-V116 PolarHBondContact O-N 3.36Å; E113-F117 VanDerWaalsContact O-CB 3.28Å; E113-F117 WeakPolarHBondContact O-CB 3.26Å; E113-F117 PolarHBondContact O-N 2.94Å; E113-M160 HydrophobicContact CG-CE 4.09Å; E113-H164 IonicContact OE1-NE2 3.74Å; E113-H164 PolarHBondContact OE1-NE2 3.32Å; E113-I166 HydrophobicContact CB-CD1 4.26Å
114	S	97.9	Very high	98	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176.9	-68.9	0	0	0	0	111	Q111 P112 F117 Y118	Q111-S114 PolarHBondContact O-N 3.28Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; P112-S114 PolarHBondContact O-N 2.91Å; S114-F117 WeakPolarHBondContact O-CB 3.39Å; S114-F117 PolarHBondContact O-N 3.14Å; S114-Y118 WeakPolarHBondContact O-CD2 3.34Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 3.41Å
115	K	98.3	Very high	98	Very high	69 Å²	69	34.2 Å²	34.2	30%	0.3	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-46.4	178.6	-172.5	169.5	177.4	-172.9	0	111.8	A109 Q111 P112 E113 F117 Y118 L119 E151 I155	A109-K115 HydrophobicContact CB-CB 4.12Å; Q111-K115 PolarHBondContact O-N 2.95Å; P112-K115 PolarHBondContact O-N 2.85Å; E113-K115 VanDerWaalsContact C-N 3.33Å; E113-K115 PolarHBondContact O-N 3.39Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-Y118 PolarHBondContact O-N 2.98Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.47Å; K115-L119 WeakPolarHBondContact O-CB 3.26Å; K115-L119 VanDerWaalsContact O-CG 3.32Å; K115-L119 WeakPolarHBondContact O-CG 3.3Å; K115-L119 PolarHBondContact O-N 3.04Å; K115-E151 WeakPolarHBondContact CE-OE1 3.37Å; K115-E151 IonicContact NZ-OE1 2.92Å; K115-E151 PolarHBondContact NZ-OE1 3.35Å; K115-I155 HydrophobicContact CD-CD1 3.71Å; K115-I155 HydrophobicContact CG-CD1 3.97Å
116	V	98.7	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-41.9	175.8	175	0	0	0	0	110.9	P112 E113 Y118 L119 K120 A152 I155 M160 I166 L170	P112-V116 WeakPolarHBondContact O-CG2 3.46Å; P112-V116 PolarHBondContact O-N 3.43Å; E113-V116 PolarHBondContact O-N 3.36Å; V116-Y118 PolarHBondContact O-N 2.97Å; V116-L119 PolarHBondContact O-N 3.09Å; V116-K120 WeakPolarHBondContact O-CB 3.48Å; V116-K120 PolarHBondContact O-N 3.44Å; V116-A152 HydrophobicContact CG1-CB 4.34Å; V116-I155 HydrophobicContact CG2-CB 3.78Å; V116-I155 HydrophobicContact CG2-CG2 3.54Å; V116-M160 HydrophobicContact CB-SD 3.98Å; V116-M160 HydrophobicContact CG1-SD 3.99Å; V116-M160 HydrophobicContact CG2-SD 3.8Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.74Å; V116-L170 HydrophobicContact CG1-CD2 4.03Å
117	F	98.5	Very high	98	Very high	28 Å²	28	34.4 Å²	34.4	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-49.4	177	-171.3	-79.7	0	0	0	111.8	R41 E113 S114 K115 M121 I166	R41-F117 VanDerWaalsContact CD-CD1 3.47Å; R41-F117 HydrophobicContact CG-CD1 3.64Å; R41-F117 HydrophobicContact CG-CE1 3.5Å; R41-F117 VanDerWaalsContact CG-CE1 3.5Å; R41-F117 HydrophobicContact CG-CG 4.25Å; R41-F117 HydrophobicContact CG-CZ 3.98Å; E113-F117 VanDerWaalsContact O-CB 3.28Å; E113-F117 WeakPolarHBondContact O-CB 3.26Å; E113-F117 PolarHBondContact O-N 2.94Å; S114-F117 WeakPolarHBondContact O-CB 3.39Å; S114-F117 PolarHBondContact O-N 3.14Å; K115-F117 VanDerWaalsContact C-N 3.35Å; F117-M121 HydrophobicContact CE1-SD 4.35Å; F117-M121 WeakPolarHBondContact O-CB 3.3Å; F117-M121 PolarHBondContact O-N 3.5Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CB-CG2 4.46Å; F117-I166 HydrophobicContact CD2-CD1 3.99Å; F117-I166 HydrophobicContact CD2-CG1 4.19Å
118	Y	98.8	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-38.1	-178.9	-62.1	-45.7	0	0	0	113	R41 L101 L105 A109 S114 K115 V116 M121 K122	R41-Y118 HydrophobicContact CG-CE1 3.66Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L105-Y118 HydrophobicContact CB-CD1 3.85Å; L105-Y118 HydrophobicContact CB-CD2 3.85Å; L105-Y118 HydrophobicContact CB-CE1 3.89Å; L105-Y118 HydrophobicContact CB-CE2 3.92Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.08Å; L105-Y118 HydrophobicContact CD1-CE1 3.98Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.49Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.15Å; A109-Y118 HydrophobicContact CB-CD2 3.94Å; A109-Y118 HydrophobicContact CB-CE2 4.07Å; S114-Y118 WeakPolarHBondContact O-CD2 3.34Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 3.41Å; K115-Y118 PolarHBondContact O-N 2.98Å; V116-Y118 PolarHBondContact O-N 2.97Å; Y118-M121 WeakPolarHBondContact O-CB 3.42Å; Y118-M121 PolarHBondContact O-N 3.06Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 PolarHBondContact O-N 2.86Å
119	L	98.9	Very high	98.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-41	175.5	-73.5	168.4	0	0	0	112	I106 K115 V116 M121 K122 G123 E151 A152 I155	I106-L119 HydrophobicContact CD1-CD2 4.06Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.47Å; K115-L119 WeakPolarHBondContact O-CB 3.26Å; K115-L119 VanDerWaalsContact O-CG 3.32Å; K115-L119 WeakPolarHBondContact O-CG 3.3Å; K115-L119 PolarHBondContact O-N 3.04Å; V116-L119 PolarHBondContact O-N 3.09Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.28Å; L119-K122 WeakPolarHBondContact O-CB 3.47Å; L119-K122 PolarHBondContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 3.3Å; L119-E151 HydrophobicContact CD1-CB 4.09Å; L119-E151 HydrophobicContact CD1-CG 3.71Å; L119-E151 HydrophobicContact CD2-CB 4.46Å; L119-E151 HydrophobicContact CD2-CG 4.47Å; L119-A152 HydrophobicContact CB-CB 3.65Å; L119-I155 HydrophobicContact CD1-CD1 3.72Å
120	K	98.7	Very high	98.1	Very high	37 Å²	37	28 Å²	28	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-56.3	-47.8	170.4	177.7	-168.2	169	-67.3	0	110.6	V116 K122 G123 D124 Y149 G169 L170 N173	V116-K120 WeakPolarHBondContact O-CB 3.48Å; V116-K120 PolarHBondContact O-N 3.44Å; K120-K122 PolarHBondContact O-N 3.36Å; K120-G123 PolarHBondContact O-N 3.26Å; K120-D124 IonicContact NZ-OD2 3.2Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 PolarHBondContact O-N 3.49Å; K120-Y149 HydrophobicContact CG-CE1 4.5Å; K120-G169 WeakPolarHBondContact CE-O 3.44Å; K120-L170 HydrophobicContact CB-CD1 4Å; K120-L170 HydrophobicContact CD-CB 4.09Å; K120-L170 HydrophobicContact CG-CB 4.3Å; K120-L170 HydrophobicContact CG-CD1 3.98Å; K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.12Å
121	M	98.7	Very high	98.1	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-44.8	177	-166.6	169.9	168.8	0	0	110.7	V97 L101 F117 Y118 L119 G123 D124 Y125	V97-M121 HydrophobicContact CG1-CE 3.61Å; L101-M121 HydrophobicContact CD1-CB 4.28Å; L101-M121 HydrophobicContact CD1-CG 4.13Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.38Å; L101-M121 HydrophobicContact CD2-SD 4.24Å; F117-M121 HydrophobicContact CE1-SD 4.35Å; F117-M121 WeakPolarHBondContact O-CB 3.3Å; F117-M121 PolarHBondContact O-N 3.5Å; Y118-M121 WeakPolarHBondContact O-CB 3.42Å; Y118-M121 PolarHBondContact O-N 3.06Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.28Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 2.91Å; M121-D124 WeakPolarHBondContact O-CB 3.41Å; M121-D124 PolarHBondContact O-N 3.14Å; M121-Y125 HydrophobicContact CE-CE2 3.7Å; M121-Y125 HydrophobicContact CG-CD2 3.8Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.25Å; M121-Y125 PolarHBondContact O-N 3.08Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å
122	K	98.9	Very high	98	Very high	32 Å²	32	21.1 Å²	21.1	14%	0.139	10%	0.099	C	C	.	.	H	α-helix	trans	-55	-47	174.5	-174.6	175.6	-177.3	170.1	0	111.8	L98 L101 E102 I106 Y118 L119 K120 D124 Y125 Y126 A148	L98-K122 HydrophobicContact CD2-CG 3.89Å; L101-K122 HydrophobicContact CD1-CB 4Å; E102-K122 WeakPolarHBondContact OE1-CE 3.34Å; E102-K122 IonicContact OE1-NZ 2.69Å; E102-K122 PolarHBondContact OE1-NZ 2.58Å; I106-K122 HydrophobicContact CD1-CB 4.37Å; I106-K122 HydrophobicContact CD1-CD 3.84Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 PolarHBondContact O-N 2.86Å; L119-K122 WeakPolarHBondContact O-CB 3.47Å; L119-K122 PolarHBondContact O-N 3.12Å; K120-K122 PolarHBondContact O-N 3.36Å; K122-D124 PolarHBondContact O-N 3.37Å; K122-Y125 PolarHBondContact O-N 3.25Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.79Å; K122-Y126 VanDerWaalsContact O-CD2 3.3Å; K122-Y126 WeakPolarHBondContact O-CD2 3.43Å; K122-Y126 PolarHBondContact O-N 2.89Å; K122-Y126 VanDerWaalsContact O-N 3.09Å; K122-A148 HydrophobicContact CB-CB 4Å; K122-A148 HydrophobicContact CD-CB 4.13Å; K122-A148 HydrophobicContact CG-CB 3.89Å
123	G	98.8	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-45.2	173.6	0	0	0	0	0	112.6	L119 K120 M121 Y125 Y126 R127 S145 Y149	L119-G123 PolarHBondContact O-N 3.3Å; K120-G123 PolarHBondContact O-N 3.26Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 2.91Å; G123-Y125 PolarHBondContact O-N 3Å; G123-Y126 PolarHBondContact O-N 3.43Å; G123-R127 WeakPolarHBondContact O-CB 3.45Å; G123-R127 PolarHBondContact O-N 2.87Å; G123-S145 PolarHBondContact O-OG 2.94Å; G123-S145 VanDerWaalsContact O-OG 3.12Å; G123-Y149 VanDerWaalsContact C-CZ 3.42Å
124	D	98.8	Very high	97.2	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-46.1	177.7	-71.2	-37.8	0	0	0	112.7	K120 M121 K122 R127 Y128 Y149 N173	K120-D124 IonicContact NZ-OD2 3.2Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 PolarHBondContact O-N 3.49Å; M121-D124 WeakPolarHBondContact O-CB 3.41Å; M121-D124 PolarHBondContact O-N 3.14Å; K122-D124 PolarHBondContact O-N 3.37Å; D124-R127 WeakPolarHBondContact O-CB 3.31Å; D124-R127 PolarHBondContact O-N 3.05Å; D124-R127 IonicContact OD1-NH2 2.66Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; D124-Y128 HydrophobicContact CB-CE2 4.2Å; D124-Y128 WeakPolarHBondContact O-CD1 3.37Å; D124-Y128 VanDerWaalsContact O-CD2 3.26Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.49Å; D124-Y149 VanDerWaalsContact CA-OH 3.31Å; D124-Y149 WeakPolarHBondContact CA-OH 3.44Å; D124-Y149 PolarHBondContact N-OH 3.4Å; D124-Y149 PolarHBondContact OD1-OH 3.44Å; D124-N173 VanDerWaalsContact OD1-CB 3.3Å; D124-N173 WeakPolarHBondContact OD1-CB 3.33Å; D124-N173 PolarHBondContact OD1-ND2 3Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å
125	Y	98.7	Very high	96.5	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-73	-35.2	-178.4	-78.1	-87.2	0	0	0	113	Y48 K49 V52 C94 V97 M121 K122 G123 R127 Y128 L129	Y48-Y125 WeakPolarHBondContact CB-OH 3.49Å; Y48-Y125 PolarHBondContact O-OH 2.94Å; K49-Y125 PolarHBondContact N-OH 3.02Å; V52-Y125 HydrophobicContact CB-CE1 4.12Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.3Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; V97-Y125 HydrophobicContact CB-CD1 3.96Å; V97-Y125 HydrophobicContact CB-CD2 4.27Å; V97-Y125 HydrophobicContact CB-CE1 3.99Å; V97-Y125 HydrophobicContact CB-CE2 4.37Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.11Å; V97-Y125 HydrophobicContact CG1-CD2 3.51Å; V97-Y125 HydrophobicContact CG1-CE1 4.13Å; V97-Y125 HydrophobicContact CG1-CE2 3.6Å; V97-Y125 HydrophobicContact CG1-CG 3.81Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.7Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å; M121-Y125 HydrophobicContact CE-CE2 3.7Å; M121-Y125 HydrophobicContact CG-CD2 3.8Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.25Å; M121-Y125 PolarHBondContact O-N 3.08Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.25Å; G123-Y125 PolarHBondContact O-N 3Å; Y125-R127 VanDerWaalsContact C-N 3.34Å; Y125-Y128 HydrophobicContact CD1-CD2 4.05Å; Y125-Y128 HydrophobicContact CD1-CE2 4.49Å; Y125-Y128 HydrophobicContact CE1-CD2 4.33Å; Y125-Y128 HydrophobicContact CE1-CE2 4.48Å; Y125-Y128 HydrophobicContact CG-CD2 4.34Å; Y125-Y128 PolarHBondContact O-N 2.93Å; Y125-L129 WeakPolarHBondContact O-CG 3.3Å; Y125-L129 PolarHBondContact O-N 3.34Å
126	Y	98.7	Very high	95.6	Very high	30 Å²	30	27 Å²	27	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-36.9	169	-80.2	-62.9	0	0	0	112.3	L98 K122 G123 Y128 L129 A130 I141 Q144	L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.44Å; L98-Y126 HydrophobicContact CD1-CE1 3.64Å; L98-Y126 HydrophobicContact CD1-CE2 4.17Å; L98-Y126 HydrophobicContact CD1-CG 4.31Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.49Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.45Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.79Å; K122-Y126 VanDerWaalsContact O-CD2 3.3Å; K122-Y126 WeakPolarHBondContact O-CD2 3.43Å; K122-Y126 PolarHBondContact O-N 2.89Å; K122-Y126 VanDerWaalsContact O-N 3.09Å; G123-Y126 PolarHBondContact O-N 3.43Å; Y126-Y128 VanDerWaalsContact C-N 3.32Å; Y126-Y128 PolarHBondContact O-N 3.14Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.45Å; Y126-L129 WeakPolarHBondContact O-CB 3.34Å; Y126-L129 PolarHBondContact O-N 3.42Å; Y126-A130 WeakPolarHBondContact O-CB 3.43Å; Y126-A130 PolarHBondContact O-N 3.33Å; Y126-I141 HydrophobicContact CD1-CG2 4.16Å; Y126-I141 WeakPolarHBondContact O-CG2 3.39Å; Y126-Q144 HydrophobicContact CD1-CB 3.81Å; Y126-Q144 HydrophobicContact CD2-CB 3.72Å; Y126-Q144 HydrophobicContact CE1-CB 3.8Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.69Å; Y126-Q144 HydrophobicContact CE2-CG 4.37Å; Y126-Q144 HydrophobicContact CG-CB 3.78Å
127	R	98.3	Very high	94.9	Very high	13 Å²	13	33 Å²	33	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-42.7	172.3	170.3	166.3	72.1	93.9	-0.6	112.1	G123 D124 Y125 L129 A130 E131 Y149 F177 E180 I181	G123-R127 WeakPolarHBondContact O-CB 3.45Å; G123-R127 PolarHBondContact O-N 2.87Å; D124-R127 WeakPolarHBondContact O-CB 3.31Å; D124-R127 PolarHBondContact O-N 3.05Å; D124-R127 IonicContact OD1-NH2 2.66Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.34Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.39Å; R127-A130 WeakPolarHBondContact O-CB 3.49Å; R127-A130 PolarHBondContact O-N 2.83Å; R127-E131 PolarHBondContact O-N 2.94Å; R127-Y149 PolarHBondContact NE-OH 3.43Å; R127-Y149 VanDerWaalsContact NE-OH 3.17Å; R127-F177 HydrophobicContact CB-CD2 4.26Å; R127-F177 HydrophobicContact CG-CD2 4.33Å; R127-E180 IonicContact NH1-OE2 3.66Å; R127-E180 PolarHBondContact NH1-OE2 3.17Å; R127-I181 HydrophobicContact CG-CD1 4.13Å; R127-I181 HydrophobicContact CG-CG1 3.75Å
128	Y	98.2	Very high	94.7	Very high	23 Å²	23	35.7 Å²	35.7	9%	0.09	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-37.3	176	-55.3	-27.4	0	0	0	112.2	V52 R56 D124 Y125 Y126 E131	V52-Y128 HydrophobicContact CG1-CD2 3.98Å; V52-Y128 HydrophobicContact CG1-CE2 3.81Å; V52-Y128 HydrophobicContact CG2-CD2 3.88Å; V52-Y128 HydrophobicContact CG2-CG 4.49Å; R56-Y128 VanDerWaalsContact CZ-CD1 3.44Å; D124-Y128 HydrophobicContact CB-CE2 4.2Å; D124-Y128 WeakPolarHBondContact O-CD1 3.37Å; D124-Y128 VanDerWaalsContact O-CD2 3.26Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.49Å; Y125-Y128 HydrophobicContact CD1-CD2 4.05Å; Y125-Y128 HydrophobicContact CD1-CE2 4.49Å; Y125-Y128 HydrophobicContact CE1-CD2 4.33Å; Y125-Y128 HydrophobicContact CE1-CE2 4.48Å; Y125-Y128 HydrophobicContact CG-CD2 4.34Å; Y125-Y128 PolarHBondContact O-N 2.93Å; Y126-Y128 VanDerWaalsContact C-N 3.32Å; Y126-Y128 PolarHBondContact O-N 3.14Å; Y128-E131 WeakPolarHBondContact O-CB 3.46Å; Y128-E131 PolarHBondContact O-N 2.93Å
129	L	97.8	Very high	94.4	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-41.8	170.8	-72	174.4	0	0	0	111.7	L90 R91 C94 L98 Y125 Y126 R127 E131 V132 A133 I141	L90-L129 HydrophobicContact CD2-CD2 4.46Å; R91-L129 HydrophobicContact CB-CD2 4.13Å; R91-L129 HydrophobicContact CG-CD2 3.96Å; 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 3.3Å; Y125-L129 PolarHBondContact O-N 3.34Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.45Å; Y126-L129 WeakPolarHBondContact O-CB 3.34Å; Y126-L129 PolarHBondContact O-N 3.42Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.39Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.89Å; L129-V132 WeakPolarHBondContact O-CG2 3.38Å; L129-V132 PolarHBondContact O-N 3.33Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.01Å; L129-I141 HydrophobicContact CB-CD1 4.41Å; L129-I141 HydrophobicContact CB-CG2 3.62Å
130	A	97	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-31.1	-179.6	0	0	0	0	0	112.7	Y126 R127 V132 K138 I141 V142 I181	Y126-A130 WeakPolarHBondContact O-CB 3.43Å; Y126-A130 PolarHBondContact O-N 3.33Å; R127-A130 WeakPolarHBondContact O-CB 3.49Å; R127-A130 PolarHBondContact O-N 2.83Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 3.4Å; A130-K138 WeakPolarHBondContact O-CE 3.49Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A130-V142 HydrophobicContact CB-CG2 3.84Å; A130-I181 HydrophobicContact CB-CD1 4.36Å; A130-I181 HydrophobicContact CB-CG2 3.95Å
131	E	95.6	Very high	94.2	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-36.4	175.9	-176.5	175.3	-163.1	0	0	111.9	R56 W59 R60 R127 Y128 L129 I181	R56-E131 IonicContact CZ-OE2 3.33Å; R56-E131 IonicContact NE-OE2 3.25Å; R56-E131 PolarHBondContact NE-OE2 3.04Å; R56-E131 IonicContact NH2-OE1 2.62Å; R56-E131 IonicContact NH2-OE2 3.49Å; R56-E131 PolarHBondContact NH2-OE2 3.43Å; W59-E131 HydrophobicContact CH2-CG 4.07Å; W59-E131 HydrophobicContact CZ3-CG 3.74Å; R60-E131 IonicContact CZ-OE1 3.9Å; R60-E131 VanDerWaalsContact CZ-OE1 3.27Å; R60-E131 IonicContact NE-OE1 3.66Å; R60-E131 PolarHBondContact NE-OE1 3.25Å; R60-E131 VanDerWaalsContact NE-OE1 3.12Å; R60-E131 IonicContact NH2-OE1 3.5Å; R60-E131 PolarHBondContact NH2-OE1 3.47Å; R60-E131 IonicContact NH2-OE2 2.9Å; R127-E131 PolarHBondContact O-N 2.94Å; Y128-E131 WeakPolarHBondContact O-CB 3.46Å; Y128-E131 PolarHBondContact O-N 2.93Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.89Å; E131-I181 HydrophobicContact CB-CD1 4.48Å
132	V	94.8	Very high	94.1	Very high	10 Å²	10	44.8 Å²	44.8	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-104.6	-6.2	-177.8	-54.2	0	0	0	0	114.1	W59 E87 L90 L129 A130	W59-V132 HydrophobicContact CD2-CG1 3.89Å; W59-V132 HydrophobicContact CE3-CG1 4.31Å; W59-V132 HydrophobicContact CG-CG1 4.3Å; W59-V132 HydrophobicContact CH2-CG1 4.36Å; W59-V132 HydrophobicContact CZ2-CB 4.42Å; W59-V132 HydrophobicContact CZ2-CG1 3.94Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å; L90-V132 HydrophobicContact CD1-CG1 4.09Å; L90-V132 HydrophobicContact CD2-CG1 4.35Å; L90-V132 HydrophobicContact CD2-CG2 3.88Å; L129-V132 WeakPolarHBondContact O-CG2 3.38Å; L129-V132 PolarHBondContact O-N 3.33Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 3.4Å
133	A	92.7	Very high	94.1	Very high	18 Å²	18	47 Å²	47	15%	0.149	27%	0.273	C	S	.	.			trans	-74	144.5	-179.1	0	0	0	0	0	111.8	L129 K138 I141	L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 3.01Å; A133-K138 HydrophobicContact CB-CB 3.93Å; A133-K138 HydrophobicContact CB-CG 4.14Å; A133-I141 HydrophobicContact CB-CD1 3.77Å
134	A	84.2	Confident	94	Very high	83 Å²	83	50 Å²	50	69%	0.686	29%	0.287	S	S	*	.			trans	-126.5	155.6	174.7	0	0	0	0	0	110.5
135	G	84.5	Confident	94	Very high	64 Å²	64	49.7 Å²	49.7	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-152.7	176.4	0	0	0	0	0	114.3	D137 K138	G135-D137 VanDerWaalsContact C-N 3.31Å; G135-D137 PolarHBondContact O-N 3.11Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.14Å
136	D	79.2	Confident	94	Very high	155 Å²	155	52.4 Å²	52.4	83%	0.829	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.2	-170.8	-65.8	-31.4	0	0	0	113.4	K138 K139	D136-K138 PolarHBondContact O-N 2.95Å; D136-K139 PolarHBondContact O-N 3.48Å
137	D	83.8	Confident	94	Very high	127 Å²	127	56.5 Å²	56.5	68%	0.679	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-29	177.7	-70	-18.5	0	0	0	112.1	G135 K139 G140 I141	G135-D137 VanDerWaalsContact C-N 3.31Å; G135-D137 PolarHBondContact O-N 3.11Å; D137-K139 VanDerWaalsContact C-N 3.3Å; D137-K139 PolarHBondContact O-N 2.82Å; D137-G140 PolarHBondContact O-N 3.03Å; D137-I141 WeakPolarHBondContact O-CD1 3.49Å; D137-I141 WeakPolarHBondContact O-CG1 3.33Å; D137-I141 PolarHBondContact O-N 3.28Å
138	K	92.6	Very high	94.1	Very high	84 Å²	84	56 Å²	56	37%	0.365	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-40.7	-178.9	-174.4	170.9	-174.8	164.8	0	111.7	A130 A133 G135 D136 G140 I141 V142	A130-K138 WeakPolarHBondContact O-CE 3.49Å; A133-K138 HydrophobicContact CB-CB 3.93Å; A133-K138 HydrophobicContact CB-CG 4.14Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.14Å; D136-K138 PolarHBondContact O-N 2.95Å; K138-G140 PolarHBondContact O-N 3.24Å; K138-I141 PolarHBondContact O-N 3.09Å; K138-V142 HydrophobicContact CG-CG2 4.12Å; K138-V142 WeakPolarHBondContact O-CB 3.42Å; K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 3.28Å
139	K	93.9	Very high	94.1	Very high	151 Å²	151	55 Å²	55	66%	0.657	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-47.3	-176.9	-174.5	178.2	177.8	-178.6	0	111.6	D136 D137 I141 V142 D143	D136-K139 PolarHBondContact O-N 3.48Å; D137-K139 VanDerWaalsContact C-N 3.3Å; D137-K139 PolarHBondContact O-N 2.82Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.93Å; K139-V142 PolarHBondContact O-N 2.99Å; K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.47Å
140	G	95.1	Very high	94.1	Very high	41 Å²	41	57.8 Å²	57.8	42%	0.423	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-39.8	178.2	0	0	0	0	0	112.6	D137 K138 D143 Q144	D137-G140 PolarHBondContact O-N 3.03Å; K138-G140 PolarHBondContact O-N 3.24Å; G140-D143 PolarHBondContact O-N 3.37Å; G140-Q144 WeakPolarHBondContact O-CG 3.28Å; G140-Q144 PolarHBondContact O-N 3.4Å
141	I	97.4	Very high	94.2	Very high	34 Å²	34	61.4 Å²	61.4	17%	0.174	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-43.6	176.6	-65.6	167	0	0	0	111.2	Y126 L129 A130 A133 D137 K138 K139 Q144 S145	Y126-I141 HydrophobicContact CD1-CG2 4.16Å; Y126-I141 WeakPolarHBondContact O-CG2 3.39Å; L129-I141 HydrophobicContact CB-CD1 4.41Å; L129-I141 HydrophobicContact CB-CG2 3.62Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A133-I141 HydrophobicContact CB-CD1 3.77Å; D137-I141 WeakPolarHBondContact O-CD1 3.49Å; D137-I141 WeakPolarHBondContact O-CG1 3.33Å; D137-I141 PolarHBondContact O-N 3.28Å; K138-I141 PolarHBondContact O-N 3.09Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.93Å; I141-Q144 PolarHBondContact O-N 3.42Å; I141-S145 PolarHBondContact O-N 3.03Å
142	V	97.9	Very high	94.4	Very high	16 Å²	16	59.7 Å²	59.7	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-44.4	176.9	170.8	0	0	0	0	111	A130 K138 K139 Q144 S145 Q146 F177 I181 L182	A130-V142 HydrophobicContact CB-CG2 3.84Å; K138-V142 HydrophobicContact CG-CG2 4.12Å; K138-V142 WeakPolarHBondContact O-CB 3.42Å; K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 3.28Å; K139-V142 PolarHBondContact O-N 2.99Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.41Å; V142-S145 WeakPolarHBondContact O-CB 3.45Å; V142-S145 PolarHBondContact O-N 3.14Å; V142-Q146 PolarHBondContact O-N 2.7Å; V142-F177 HydrophobicContact CG1-CE2 4.34Å; V142-F177 HydrophobicContact CG1-CZ 4Å; V142-I181 HydrophobicContact CG1-CG2 4.29Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; V142-L182 HydrophobicContact CG1-CD2 3.46Å; V142-L182 VanDerWaalsContact CG1-CD2 3.46Å
143	D	97.5	Very high	94.5	Very high	77 Å²	77	60.3 Å²	60.3	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-42	178	-70.3	-19	0	0	0	111.3	K139 G140 Q146 Q147	K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.47Å; G140-D143 PolarHBondContact O-N 3.37Å; D143-Q146 PolarHBondContact O-N 2.76Å; D143-Q147 WeakPolarHBondContact O-CB 3.48Å; D143-Q147 PolarHBondContact O-N 3.35Å
144	Q	98.3	Very high	94.8	Very high	65 Å²	65	63.2 Å²	63.2	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.3	-71.2	-59.6	-48.7	0	0	112.6	Y126 G140 I141 V142 Q147 A148	Y126-Q144 HydrophobicContact CD1-CB 3.81Å; Y126-Q144 HydrophobicContact CD2-CB 3.72Å; Y126-Q144 HydrophobicContact CE1-CB 3.8Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.69Å; Y126-Q144 HydrophobicContact CE2-CG 4.37Å; Y126-Q144 HydrophobicContact CG-CB 3.78Å; G140-Q144 WeakPolarHBondContact O-CG 3.28Å; G140-Q144 PolarHBondContact O-N 3.4Å; I141-Q144 PolarHBondContact O-N 3.42Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.41Å; Q144-Q147 PolarHBondContact O-N 3.17Å; Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 3.46Å
145	S	98.6	Very high	95.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-50.2	174.6	-178.2	0	0	0	0	111	G123 I141 V142 Q147 A148 Y149 F177	G123-S145 PolarHBondContact O-OG 2.94Å; G123-S145 VanDerWaalsContact O-OG 3.12Å; I141-S145 PolarHBondContact O-N 3.03Å; V142-S145 WeakPolarHBondContact O-CB 3.45Å; V142-S145 PolarHBondContact O-N 3.14Å; S145-Q147 PolarHBondContact O-N 3.01Å; S145-A148 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact O-CD2 3.36Å; S145-Y149 PolarHBondContact O-N 2.81Å; S145-Y149 VanDerWaalsContact O-N 3.08Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.38Å; S145-F177 VanDerWaalsContact OG-CD2 3.29Å; S145-F177 WeakPolarHBondContact OG-CD2 3.45Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å
146	Q	98.6	Very high	96.1	Very high	65 Å²	65	57.7 Å²	57.7	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-43.4	-179.6	-174.2	172.6	-6	0	0	111.9	V142 D143 A148 Y149 Q150 F177	V142-Q146 PolarHBondContact O-N 2.7Å; D143-Q146 PolarHBondContact O-N 2.76Å; Q146-A148 PolarHBondContact O-N 2.87Å; Q146-Y149 PolarHBondContact O-N 3.26Å; Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.21Å; Q146-F177 HydrophobicContact CB-CE1 3.82Å; Q146-F177 HydrophobicContact CB-CZ 3.83Å; Q146-F177 HydrophobicContact CG-CE1 4.17Å
147	Q	98.6	Very high	97	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-46.6	178.5	-176.3	179.5	7.1	0	0	111.5	D143 Q144 S145 Q150 E151	D143-Q147 WeakPolarHBondContact O-CB 3.48Å; D143-Q147 PolarHBondContact O-N 3.35Å; Q144-Q147 PolarHBondContact O-N 3.17Å; S145-Q147 PolarHBondContact O-N 3.01Å; Q147-Q150 PolarHBondContact O-N 3.09Å; Q147-E151 PolarHBondContact O-N 3.04Å
148	A	98.8	Very high	97.6	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-44.2	179.9	0	0	0	0	0	112.1	K122 Q144 S145 Q146 A152	K122-A148 HydrophobicContact CB-CB 4Å; K122-A148 HydrophobicContact CD-CB 4.13Å; K122-A148 HydrophobicContact CG-CB 3.89Å; Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 3.46Å; S145-A148 PolarHBondContact O-N 2.93Å; Q146-A148 PolarHBondContact O-N 2.87Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.13Å
149	Y	98.8	Very high	97.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-42.1	175.2	-74.5	-53.3	0	0	0	112.6	K120 G123 D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177	K120-Y149 HydrophobicContact CG-CE1 4.5Å; G123-Y149 VanDerWaalsContact C-CZ 3.42Å; D124-Y149 VanDerWaalsContact CA-OH 3.31Å; D124-Y149 WeakPolarHBondContact CA-OH 3.44Å; D124-Y149 PolarHBondContact N-OH 3.4Å; D124-Y149 PolarHBondContact OD1-OH 3.44Å; R127-Y149 PolarHBondContact NE-OH 3.43Å; R127-Y149 VanDerWaalsContact NE-OH 3.17Å; S145-Y149 WeakPolarHBondContact O-CD2 3.36Å; S145-Y149 PolarHBondContact O-N 2.81Å; S145-Y149 VanDerWaalsContact O-N 3.08Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.38Å; Q146-Y149 PolarHBondContact O-N 3.26Å; Y149-A152 PolarHBondContact O-N 3.33Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.24Å; Y149-F153 PolarHBondContact O-N 2.89Å; Y149-L170 HydrophobicContact CD1-CD1 3.69Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; Y149-F174 VanDerWaalsContact CB-CD2 3.42Å; Y149-F174 VanDerWaalsContact CB-CE2 3.47Å; Y149-F174 HydrophobicContact CD1-CB 4.05Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.3Å; Y149-F174 AromaticContact CD2-CD2 3.6Å; Y149-F174 HydrophobicContact CD2-CD2 3.6Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.28Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 AromaticContact CG-CD2 3.59Å; Y149-F174 HydrophobicContact CG-CD2 3.59Å; 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 4.21Å; Y149-F177 HydrophobicContact CD2-CG 4.04Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.47Å; Y149-F177 HydrophobicContact CE2-CD2 4.13Å; Y149-F177 AromaticContact CE2-CG 3.84Å; Y149-F177 HydrophobicContact CE2-CG 3.84Å
150	Q	98.7	Very high	98	Very high	68 Å²	68	51.6 Å²	51.6	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-44.8	178.7	-169.5	66.6	48	0	0	111.3	Q146 Q147 A152 F153 E154	Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.21Å; Q147-Q150 PolarHBondContact O-N 3.09Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.42Å; Q150-F153 PolarHBondContact O-N 3.2Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; Q150-E154 PolarHBondContact NE2-OE1 2.91Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 3.45Å
151	E	98.6	Very high	98	Very high	76 Å²	76	55.4 Å²	55.4	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-45.1	176.4	-169	-173.9	164.5	0	0	111.2	K115 L119 Q147 F153 E154 I155	K115-E151 WeakPolarHBondContact CE-OE1 3.37Å; K115-E151 IonicContact NZ-OE1 2.92Å; K115-E151 PolarHBondContact NZ-OE1 3.35Å; L119-E151 HydrophobicContact CD1-CB 4.09Å; L119-E151 HydrophobicContact CD1-CG 3.71Å; L119-E151 HydrophobicContact CD2-CB 4.46Å; L119-E151 HydrophobicContact CD2-CG 4.47Å; Q147-E151 PolarHBondContact O-N 3.04Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 3.42Å; E151-I155 HydrophobicContact CG-CD1 4.18Å; E151-I155 WeakPolarHBondContact O-CD1 3.35Å; E151-I155 WeakPolarHBondContact O-CG1 3.27Å; E151-I155 PolarHBondContact O-N 2.95Å
152	A	98.8	Very high	98	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-41.8	174.7	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 3.65Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.13Å; Y149-A152 PolarHBondContact O-N 3.33Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.42Å; A152-I155 PolarHBondContact O-N 3.22Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.43Å; A152-S156 PolarHBondContact O-N 3.49Å; A152-S156 PolarHBondContact O-OG 3.19Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.64Å; A152-L170 HydrophobicContact CB-CG 4.4Å
153	F	98.4	Very high	97.9	Very high	23 Å²	23	53.9 Å²	53.9	10%	0.101	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-43.8	-175.3	-165.7	-114.7	0	0	0	111.7	Y149 Q150 E151 I155 S156 K157 L170 F174 L191	Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.24Å; Y149-F153 PolarHBondContact O-N 2.89Å; Q150-F153 PolarHBondContact O-N 3.2Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 3.04Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.5Å; F153-S156 WeakPolarHBondContact CA-OG 3.49Å; F153-S156 PolarHBondContact O-N 3.45Å; F153-S156 PolarHBondContact O-OG 2.82Å; F153-K157 HydrophobicContact CD1-CD 4.04Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CE1-CG 4.47Å; F153-K157 HydrophobicContact CZ-CD 4.19Å; F153-K157 WeakPolarHBondContact O-CB 3.25Å; F153-K157 WeakPolarHBondContact O-CG 3.33Å; F153-K157 PolarHBondContact O-N 2.93Å; F153-L170 HydrophobicContact CB-CD2 4.14Å; F153-L170 HydrophobicContact CD2-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CG 4.49Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; F153-L191 HydrophobicContact CE1-CD1 4.19Å; F153-L191 HydrophobicContact CE2-CD1 3.59Å; F153-L191 HydrophobicContact CZ-CD1 3.34Å
154	E	98.3	Very high	97.8	Very high	80 Å²	80	52 Å²	52	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-40.8	175.6	-69.1	-51.7	135.3	0	0	112.8	Q150 E151 K158	Q150-E154 PolarHBondContact NE2-OE1 2.91Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 3.45Å; E151-E154 PolarHBondContact O-N 3.42Å; E154-K158 WeakPolarHBondContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.49Å
155	I	98.5	Very high	97.8	Very high	31 Å²	31	50 Å²	50	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-47.1	176.3	-61.9	163.4	0	0	0	109.7	P112 K115 V116 L119 E151 A152 F153 K157 K158 E159	P112-I155 HydrophobicContact CB-CG2 4.27Å; K115-I155 HydrophobicContact CD-CD1 3.71Å; K115-I155 HydrophobicContact CG-CD1 3.97Å; V116-I155 HydrophobicContact CG2-CB 3.78Å; V116-I155 HydrophobicContact CG2-CG2 3.54Å; L119-I155 HydrophobicContact CD1-CD1 3.72Å; E151-I155 HydrophobicContact CG-CD1 4.18Å; E151-I155 WeakPolarHBondContact O-CD1 3.35Å; E151-I155 WeakPolarHBondContact O-CG1 3.27Å; E151-I155 PolarHBondContact O-N 2.95Å; A152-I155 PolarHBondContact O-N 3.22Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.5Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 2.93Å; I155-K158 PolarHBondContact O-N 3.26Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-E159 HydrophobicContact CG2-CG 4.18Å; I155-E159 WeakPolarHBondContact O-CB 3.29Å; I155-E159 PolarHBondContact O-N 3.35Å
156	S	98.2	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-35.6	-177.3	75.1	0	0	0	0	113.1	A152 F153 K158 M160	A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.43Å; A152-S156 PolarHBondContact O-N 3.49Å; A152-S156 PolarHBondContact O-OG 3.19Å; F153-S156 WeakPolarHBondContact CA-OG 3.49Å; F153-S156 PolarHBondContact O-N 3.45Å; F153-S156 PolarHBondContact O-OG 2.82Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.03Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.37Å; S156-M160 PolarHBondContact O-N 2.94Å; S156-M160 VanDerWaalsContact O-N 3.09Å
157	K	97.2	Very high	97.7	Very high	100 Å²	100	49.2 Å²	49.2	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-31.3	177	-83.7	-175.1	160.4	-179.8	0	113.2	F153 I155	F153-K157 HydrophobicContact CD1-CD 4.04Å; F153-K157 HydrophobicContact CE1-CD 3.77Å; F153-K157 HydrophobicContact CE1-CG 4.47Å; F153-K157 HydrophobicContact CZ-CD 4.19Å; F153-K157 WeakPolarHBondContact O-CB 3.25Å; F153-K157 WeakPolarHBondContact O-CG 3.33Å; F153-K157 PolarHBondContact O-N 2.93Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 2.93Å
158	K	97.3	Very high	97.7	Very high	152 Å²	152	43.8 Å²	43.8	66%	0.661	21%	0.205	S	C	*	.	H	α-helix	trans	-86.9	-38.5	-177.3	-68.3	173.2	-173.4	173.9	0	112.3	E154 I155 S156	E154-K158 WeakPolarHBondContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.49Å; I155-K158 PolarHBondContact O-N 3.26Å; I155-K158 VanDerWaalsContact O-N 3.09Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.03Å
159	E	97.5	Very high	97.7	Very high	123 Å²	123	44 Å²	44	58%	0.575	21%	0.208	S	C	*	.	H	α-helix	trans	-111.6	-6.7	-164.8	-56.5	-62.8	149.6	0	0	113.8	P112 I155	P112-E159 HydrophobicContact CB-CB 3.64Å; P112-E159 HydrophobicContact CB-CG 3.94Å; P112-E159 HydrophobicContact CG-CB 4.07Å; P112-E159 HydrophobicContact CG-CG 4.09Å; I155-E159 HydrophobicContact CG2-CG 4.18Å; I155-E159 WeakPolarHBondContact O-CB 3.29Å; I155-E159 PolarHBondContact O-N 3.35Å
160	M	96.4	Very high	97.7	Very high	13 Å²	13	44 Å²	44	6%	0.064	21%	0.208	C	C	.	.	S	Bend	trans	-133.4	140	-171.1	-48.3	176.6	69.5	0	0	111.9	E113 V116 S156 H164 I166 R167	E113-M160 HydrophobicContact CG-CE 4.09Å; V116-M160 HydrophobicContact CB-SD 3.98Å; V116-M160 HydrophobicContact CG1-SD 3.99Å; V116-M160 HydrophobicContact CG2-SD 3.8Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.37Å; S156-M160 PolarHBondContact O-N 2.94Å; S156-M160 VanDerWaalsContact O-N 3.09Å; M160-H164 HydrophobicContact CB-CB 4.32Å; M160-H164 HydrophobicContact CE-CB 4.19Å; M160-H164 WeakPolarHBondContact CE-CE1 3.2Å; M160-H164 VanDerWaalsContact CE-CG 3.41Å; M160-H164 WeakPolarHBondContact CE-ND1 3.5Å; M160-I166 HydrophobicContact CE-CB 3.75Å; M160-I166 HydrophobicContact CE-CG2 4Å; M160-R167 HydrophobicContact CB-CB 4.38Å; M160-R167 HydrophobicContact CE-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.38Å
161	Q	95.9	Very high	97.7	Very high	121 Å²	121	40.9 Å²	40.9	57%	0.565	19%	0.193	S	C	*	.			trans	-64.7	147.1	175.4	-62.2	-59.6	-17.5	0	0	111.4	T163 H164 R167 E202	Q161-T163 PolarHBondContact O-N 3.45Å; Q161-T163 VanDerWaalsContact O-N 3.12Å; Q161-H164 WeakPolarHBondContact O-CB 3.14Å; Q161-H164 PolarHBondContact O-N 3.23Å; Q161-R167 WeakPolarHBondContact O-CD 3.39Å; Q161-E202 PolarHBondContact OE1-OE2 3.32Å
162	P	97	Very high	97.7	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.078	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.9	175.6	-27.8	35.5	0	0	0	114.6	H164 L168 E198 E202	P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 3.39Å; P162-L168 WeakPolarHBondContact O-CG 3.29Å; P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.33Å; P162-E202 WeakPolarHBondContact CD-OE2 3.17Å
163	T	96.3	Very high	97.7	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.037	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.4	179.3	55.4	0	0	0	0	114.1	Q161 A199 E202 S214	Q161-T163 PolarHBondContact O-N 3.45Å; Q161-T163 VanDerWaalsContact O-N 3.12Å; T163-A199 HydrophobicContact CG2-CB 4.4Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; T163-E202 HydrophobicContact CG2-CB 3.92Å; T163-S214 WeakPolarHBondContact O-CB 3.2Å; T163-S214 PolarHBondContact O-OG 2.9Å
164	H	96.1	Very high	97.7	Very high	38 Å²	38	38.5 Å²	38.5	18%	0.176	18%	0.184	C	C	.	.			trans	-67.7	128.1	-176.8	-171.7	-59.8	0	0	0	111.3	E113 M160 Q161 P162 I166 R167 L168	E113-H164 IonicContact OE1-NE2 3.74Å; E113-H164 PolarHBondContact OE1-NE2 3.32Å; M160-H164 HydrophobicContact CB-CB 4.32Å; M160-H164 HydrophobicContact CE-CB 4.19Å; M160-H164 WeakPolarHBondContact CE-CE1 3.2Å; M160-H164 VanDerWaalsContact CE-CG 3.41Å; M160-H164 WeakPolarHBondContact CE-ND1 3.5Å; Q161-H164 WeakPolarHBondContact O-CB 3.14Å; Q161-H164 PolarHBondContact O-N 3.23Å; P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 3.39Å; H164-I166 PolarHBondContact ND1-N 3.49Å; H164-I166 PolarHBondContact O-N 3.45Å; H164-R167 HydrophobicContact CB-CB 4.26Å; H164-R167 PolarHBondContact O-N 2.95Å; H164-L168 PolarHBondContact O-N 3.41Å
165	P	96.5	Very high	97.7	Very high	23 Å²	23	34.7 Å²	34.7	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-53.5	-44.1	-175.7	-26.5	30.3	0	0	0	114.7	L168 G169 D213 S214 I217	P165-L168 PolarHBondContact O-N 3.06Å; P165-G169 PolarHBondContact O-N 3.38Å; P165-D213 HydrophobicContact CB-CB 4.16Å; P165-D213 HydrophobicContact CG-CB 4.11Å; P165-S214 WeakPolarHBondContact CD-OG 3.5Å; P165-S214 WeakPolarHBondContact CG-OG 3.25Å; P165-I217 HydrophobicContact CB-CD1 4.16Å; P165-I217 VanDerWaalsContact O-CD1 3.31Å; P165-I217 WeakPolarHBondContact O-CD1 3.36Å
166	I	97.6	Very high	97.7	Very high	23 Å²	23	34 Å²	34	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-41.6	176.6	-62.5	173.5	0	0	0	112.5	E113 V116 F117 M160 H164 G169 L170	E113-I166 HydrophobicContact CB-CD1 4.26Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.74Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CB-CG2 4.46Å; F117-I166 HydrophobicContact CD2-CD1 3.99Å; F117-I166 HydrophobicContact CD2-CG1 4.19Å; M160-I166 HydrophobicContact CE-CB 3.75Å; M160-I166 HydrophobicContact CE-CG2 4Å; H164-I166 PolarHBondContact ND1-N 3.49Å; H164-I166 PolarHBondContact O-N 3.45Å; I166-G169 PolarHBondContact O-N 2.97Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 PolarHBondContact O-N 3.24Å
167	R	98	Very high	97.7	Very high	25 Å²	25	34 Å²	34	9%	0.094	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-44.9	178.2	176.9	176	167.6	172.6	-5.9	110.9	M160 Q161 H164 L170 A171 E198	M160-R167 HydrophobicContact CB-CB 4.38Å; M160-R167 HydrophobicContact CE-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.38Å; Q161-R167 WeakPolarHBondContact O-CD 3.39Å; H164-R167 HydrophobicContact CB-CB 4.26Å; H164-R167 PolarHBondContact O-N 2.95Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.01Å; R167-A171 PolarHBondContact O-N 3.49Å; R167-E198 IonicContact CZ-OE2 3.72Å; R167-E198 IonicContact NH2-OE2 3.78Å; R167-E198 PolarHBondContact NH2-OE2 2.84Å
168	L	98.4	Very high	97.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-46	173.6	-75	171.1	0	0	0	111.7	P162 H164 P165 L170 A171 L172 A199 I217 M218 L221	P162-L168 WeakPolarHBondContact O-CG 3.29Å; H164-L168 PolarHBondContact O-N 3.41Å; P165-L168 PolarHBondContact O-N 3.06Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 2.7Å; L168-A171 PolarHBondContact O-N 3.01Å; L168-L172 PolarHBondContact O-N 3.46Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.45Å; L168-I217 HydrophobicContact CB-CG2 3.63Å; L168-M218 HydrophobicContact CD1-CG 3.94Å; L168-M218 HydrophobicContact CD1-SD 4.4Å; L168-M218 HydrophobicContact CD2-CG 4.11Å; L168-L221 HydrophobicContact CD2-CD1 4Å
169	G	98.4	Very high	97.8	Very high	9 Å²	9	26.3 Å²	26.3	9%	0.093	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-33.1	178.3	0	0	0	0	0	112.7	K120 P165 I166 N173	K120-G169 WeakPolarHBondContact CE-O 3.44Å; P165-G169 PolarHBondContact O-N 3.38Å; I166-G169 PolarHBondContact O-N 2.97Å; G169-N173 PolarHBondContact O-N 3.47Å; G169-N173 VanDerWaalsContact O-N 3.09Å
170	L	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-49.3	171	169.7	63.4	0	0	0	111.1	V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174	V116-L170 HydrophobicContact CG1-CD2 4.03Å; K120-L170 HydrophobicContact CB-CD1 4Å; K120-L170 HydrophobicContact CD-CB 4.09Å; K120-L170 HydrophobicContact CG-CB 4.3Å; K120-L170 HydrophobicContact CG-CD1 3.98Å; Y149-L170 HydrophobicContact CD1-CD1 3.69Å; 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 3.64Å; A152-L170 HydrophobicContact CB-CG 4.4Å; F153-L170 HydrophobicContact CB-CD2 4.14Å; F153-L170 HydrophobicContact CD2-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CG 4.49Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 PolarHBondContact O-N 3.24Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.01Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 2.7Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.19Å; L170-N173 PolarHBondContact O-N 3.5Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 3.46Å
171	A	98.8	Very high	97.8	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-41.1	178.3	0	0	0	0	0	112.1	R167 L168 S175 A195	R167-A171 PolarHBondContact O-N 3.49Å; L168-A171 PolarHBondContact O-N 3.01Å; A171-S175 WeakPolarHBondContact O-CB 3.49Å; A171-S175 PolarHBondContact O-N 3.48Å; A171-S175 PolarHBondContact O-OG 3.32Å; A171-S175 VanDerWaalsContact O-OG 3.09Å; A171-A195 HydrophobicContact CB-CB 3.43Å; A171-A195 VanDerWaalsContact CB-CB 3.43Å
172	L	98.7	Very high	97.8	Very high	18 Å²	18	22.2 Å²	22.2	9%	0.094	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-50	174.8	176.7	64.7	0	0	0	111.8	L168 L170 S175 V176 I217 L220 L221 N224	L168-L172 PolarHBondContact O-N 3.46Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 3.19Å; L172-S175 PolarHBondContact O-OG 3.34Å; L172-V176 VanDerWaalsContact O-CG2 3.25Å; L172-V176 WeakPolarHBondContact O-CG2 3.3Å; L172-V176 PolarHBondContact O-N 3.42Å; L172-I217 HydrophobicContact CB-CG2 4.29Å; L172-I217 HydrophobicContact CD2-CG2 4.16Å; L172-L220 HydrophobicContact CD1-CB 4.11Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.91Å; L172-L221 HydrophobicContact CB-CD2 3.91Å; L172-L221 HydrophobicContact CB-CG 4.22Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.2Å; L172-N224 VanDerWaalsContact CD1-ND2 3.33Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.42Å
173	N	98.6	Very high	97.8	Very high	29 Å²	29	28.3 Å²	28.3	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-73.6	-34.2	-176.3	-77.3	14.3	0	0	0	112.6	K120 D124 Y149 G169 L170 V176 F177	K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.12Å; D124-N173 VanDerWaalsContact OD1-CB 3.3Å; D124-N173 WeakPolarHBondContact OD1-CB 3.33Å; D124-N173 PolarHBondContact OD1-ND2 3Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; G169-N173 PolarHBondContact O-N 3.47Å; G169-N173 VanDerWaalsContact O-N 3.09Å; L170-N173 PolarHBondContact O-N 3.5Å; N173-V176 PolarHBondContact O-N 2.99Å; N173-F177 PolarHBondContact O-N 3.34Å
174	F	98.8	Very high	97.8	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-74	-33	178.7	-168.1	-166	0	0	0	111.9	Y149 F153 L170 F177 Y178 L191	Y149-F174 VanDerWaalsContact CB-CD2 3.42Å; Y149-F174 VanDerWaalsContact CB-CE2 3.47Å; Y149-F174 HydrophobicContact CD1-CB 4.05Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.3Å; Y149-F174 AromaticContact CD2-CD2 3.6Å; Y149-F174 HydrophobicContact CD2-CD2 3.6Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.28Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 AromaticContact CG-CD2 3.59Å; Y149-F174 HydrophobicContact CG-CD2 3.59Å; 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 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 3.46Å; F174-F177 HydrophobicContact CD2-CB 4.26Å; F174-F177 AromaticContact CD2-CD1 3.75Å; F174-F177 HydrophobicContact CD2-CD1 3.75Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.68Å; F174-F177 HydrophobicContact CE2-CD1 3.68Å; F174-F177 HydrophobicContact CE2-CE1 4.1Å; F174-F177 WeakPolarHBondContact O-CB 3.38Å; F174-F177 PolarHBondContact O-N 3.1Å; F174-Y178 HydrophobicContact CD1-CE2 4.13Å; F174-Y178 HydrophobicContact CD2-CD2 4.04Å; F174-Y178 AromaticContact CD2-CE2 3.69Å; F174-Y178 HydrophobicContact CD2-CE2 3.69Å; F174-Y178 AromaticContact CE1-CE2 3.93Å; F174-Y178 HydrophobicContact CE1-CE2 3.93Å; F174-Y178 HydrophobicContact CE2-CD2 4.17Å; F174-Y178 HydrophobicContact CE2-CE1 4.3Å; F174-Y178 AromaticContact CE2-CE2 3.47Å; F174-Y178 HydrophobicContact CE2-CE2 3.47Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.47Å; 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 3.61Å; F174-Y178 HydrophobicContact CZ-CE2 3.61Å; F174-Y178 AromaticContact CZ-CZ 3.55Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.44Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.36Å; F174-Y178 PolarHBondContact O-N 3.37Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.71Å; F174-L191 HydrophobicContact CG-CD2 3.81Å
175	S	98.6	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-41.2	171.4	65.2	0	0	0	0	111.6	A171 L172 F177 Y178 Y179 A188 W228	A171-S175 WeakPolarHBondContact O-CB 3.49Å; A171-S175 PolarHBondContact O-N 3.48Å; A171-S175 PolarHBondContact O-OG 3.32Å; A171-S175 VanDerWaalsContact O-OG 3.09Å; L172-S175 PolarHBondContact O-OG 3.34Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.39Å; S175-Y178 PolarHBondContact O-N 2.73Å; S175-Y178 VanDerWaalsContact O-N 3.15Å; S175-Y179 PolarHBondContact O-N 2.85Å; S175-A188 WeakPolarHBondContact CB-O 3.35Å; S175-A188 VanDerWaalsContact O-CB 3.24Å; S175-A188 WeakPolarHBondContact O-CB 3.34Å; S175-W228 WeakPolarHBondContact OG-CH2 3.45Å
176	V	98.4	Very high	97.8	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-39.7	172.5	174.2	0	0	0	0	111.3	L172 N173 Y179 E180 W228	L172-V176 VanDerWaalsContact O-CG2 3.25Å; L172-V176 WeakPolarHBondContact O-CG2 3.3Å; L172-V176 PolarHBondContact O-N 3.42Å; N173-V176 PolarHBondContact O-N 2.99Å; V176-Y179 PolarHBondContact O-N 3.45Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.24Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.49Å; V176-E180 WeakPolarHBondContact O-CB 3.11Å; V176-E180 PolarHBondContact O-N 2.86Å; V176-W228 HydrophobicContact CG2-CH2 3.92Å; V176-W228 HydrophobicContact CG2-CZ2 3.92Å
177	F	98.6	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-47.2	172.7	170.5	-102.3	0	0	0	112.5	R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182	R127-F177 HydrophobicContact CB-CD2 4.26Å; R127-F177 HydrophobicContact CG-CD2 4.33Å; V142-F177 HydrophobicContact CG1-CE2 4.34Å; V142-F177 HydrophobicContact CG1-CZ 4Å; S145-F177 VanDerWaalsContact OG-CD2 3.29Å; S145-F177 WeakPolarHBondContact OG-CD2 3.45Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å; Q146-F177 HydrophobicContact CB-CE1 3.82Å; Q146-F177 HydrophobicContact CB-CZ 3.83Å; Q146-F177 HydrophobicContact CG-CE1 4.17Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.21Å; Y149-F177 HydrophobicContact CD2-CG 4.04Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.47Å; Y149-F177 HydrophobicContact CE2-CD2 4.13Å; Y149-F177 AromaticContact CE2-CG 3.84Å; Y149-F177 HydrophobicContact CE2-CG 3.84Å; N173-F177 PolarHBondContact O-N 3.34Å; F174-F177 HydrophobicContact CD2-CB 4.26Å; F174-F177 AromaticContact CD2-CD1 3.75Å; F174-F177 HydrophobicContact CD2-CD1 3.75Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.68Å; F174-F177 HydrophobicContact CE2-CD1 3.68Å; F174-F177 HydrophobicContact CE2-CE1 4.1Å; F174-F177 WeakPolarHBondContact O-CB 3.38Å; F174-F177 PolarHBondContact O-N 3.1Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.39Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.29Å; F177-I181 HydrophobicContact CD2-CB 3.74Å; F177-I181 HydrophobicContact CD2-CG1 3.8Å; F177-I181 HydrophobicContact CD2-CG2 4.1Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.25Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.47Å; F177-I181 PolarHBondContact O-N 3.17Å; F177-L182 HydrophobicContact CD1-CD1 4.08Å; F177-L182 HydrophobicContact CD1-CG 4.33Å; F177-L182 HydrophobicContact CE1-CD1 3.33Å; F177-L182 HydrophobicContact CE1-CD2 4.45Å; F177-L182 HydrophobicContact CE1-CG 3.65Å; F177-L182 HydrophobicContact CZ-CD1 3.86Å; F177-L182 HydrophobicContact CZ-CD2 4.15Å; F177-L182 HydrophobicContact CZ-CG 3.75Å; F177-L182 PolarHBondContact O-N 2.99Å
178	Y	98.5	Very high	97.8	Very high	27 Å²	27	37.2 Å²	37.2	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-41.5	177.5	-80	-59.8	0	0	0	112.1	F174 S175 L182 N183 S184 K187 L191	F174-Y178 HydrophobicContact CD1-CE2 4.13Å; F174-Y178 HydrophobicContact CD2-CD2 4.04Å; F174-Y178 AromaticContact CD2-CE2 3.69Å; F174-Y178 HydrophobicContact CD2-CE2 3.69Å; F174-Y178 AromaticContact CE1-CE2 3.93Å; F174-Y178 HydrophobicContact CE1-CE2 3.93Å; F174-Y178 HydrophobicContact CE2-CD2 4.17Å; F174-Y178 HydrophobicContact CE2-CE1 4.3Å; F174-Y178 AromaticContact CE2-CE2 3.47Å; F174-Y178 HydrophobicContact CE2-CE2 3.47Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.47Å; 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 3.61Å; F174-Y178 HydrophobicContact CZ-CE2 3.61Å; F174-Y178 AromaticContact CZ-CZ 3.55Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.44Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.36Å; F174-Y178 PolarHBondContact O-N 3.37Å; S175-Y178 PolarHBondContact O-N 2.73Å; S175-Y178 VanDerWaalsContact O-N 3.15Å; 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 3.43Å; Y178-N183 PolarHBondContact O-N 2.69Å; Y178-S184 PolarHBondContact O-N 3.39Å; Y178-K187 HydrophobicContact CD1-CB 3.92Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.43Å; Y178-K187 HydrophobicContact CE1-CB 4.38Å; Y178-K187 HydrophobicContact CE1-CD 3.98Å; Y178-K187 HydrophobicContact CG-CB 3.97Å; Y178-L191 HydrophobicContact CD2-CD2 3.99Å; Y178-L191 HydrophobicContact CE2-CD2 3.9Å
179	Y	98.1	Very high	97.8	Very high	63 Å²	63	38 Å²	38	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-60.6	-179.9	-174.2	-88.6	0	0	0	111.6	S175 V176 F177 N183 P185 W228 D231	S175-Y179 PolarHBondContact O-N 2.85Å; V176-Y179 PolarHBondContact O-N 3.45Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.29Å; Y179-N183 WeakPolarHBondContact O-CA 3.25Å; Y179-N183 PolarHBondContact O-N 3.28Å; Y179-P185 HydrophobicContact CD2-CB 4.02Å; Y179-P185 HydrophobicContact CE2-CB 4.2Å; Y179-W228 AromaticContact CD1-CD1 3.97Å; Y179-W228 AromaticContact CD1-NE1 3.52Å; Y179-W228 HydrophobicContact CD2-CB 3.98Å; Y179-W228 AromaticContact CD2-CD1 3.45Å; Y179-W228 VanDerWaalsContact CD2-CD1 3.45Å; Y179-W228 AromaticContact CD2-CD2 3.76Å; Y179-W228 HydrophobicContact CD2-CD2 3.76Å; Y179-W228 AromaticContact CD2-CE2 3.9Å; Y179-W228 AromaticContact CD2-CG 3.46Å; Y179-W228 HydrophobicContact CD2-CG 3.46Å; Y179-W228 VanDerWaalsContact CD2-CG 3.46Å; Y179-W228 AromaticContact CD2-NE1 3.69Å; Y179-W228 AromaticContact CE1-CD1 3.71Å; Y179-W228 AromaticContact CE1-NE1 3.61Å; Y179-W228 HydrophobicContact CE2-CB 3.73Å; Y179-W228 AromaticContact CE2-CD1 3.15Å; Y179-W228 HydrophobicContact CE2-CD2 4.21Å; 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 3.76Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.04Å; Y179-W228 AromaticContact CG-CE2 3.71Å; Y179-W228 HydrophobicContact CG-CG 4.11Å; Y179-W228 HydrophobicContact CG-CZ2 4.21Å; Y179-W228 AromaticContact CG-NE1 3.57Å; Y179-W228 AromaticContact CZ-CD1 3.3Å; Y179-W228 AromaticContact CZ-NE1 3.72Å; Y179-D231 PolarHBondContact OH-OD2 3.5Å
180	E	96.1	Very high	97.8	Very high	97 Å²	97	41.1 Å²	41.1	45%	0.453	21%	0.211	S	C	.	.	H	α-helix	trans	-76.3	-31.6	-169.5	-64	-178.6	165.5	0	0	113.9	R127 V176	R127-E180 IonicContact NH1-OE2 3.66Å; R127-E180 PolarHBondContact NH1-OE2 3.17Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.24Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.49Å; V176-E180 WeakPolarHBondContact O-CB 3.11Å; V176-E180 PolarHBondContact O-N 2.86Å
181	I	97	Very high	97.8	Very high	26 Å²	26	42 Å²	42	13%	0.133	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-44.6	-171.3	-53.8	-57.1	0	0	0	112.2	R127 A130 E131 V142 F177	R127-I181 HydrophobicContact CG-CD1 4.13Å; R127-I181 HydrophobicContact CG-CG1 3.75Å; A130-I181 HydrophobicContact CB-CD1 4.36Å; A130-I181 HydrophobicContact CB-CG2 3.95Å; E131-I181 HydrophobicContact CB-CD1 4.48Å; V142-I181 HydrophobicContact CG1-CG2 4.29Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; F177-I181 HydrophobicContact CD2-CB 3.74Å; F177-I181 HydrophobicContact CD2-CG1 3.8Å; F177-I181 HydrophobicContact CD2-CG2 4.1Å; F177-I181 HydrophobicContact CE2-CB 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.25Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.47Å; F177-I181 PolarHBondContact O-N 3.17Å
182	L	96.7	Very high	97.7	Very high	48 Å²	48	42 Å²	42	25%	0.251	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.4	179.8	-67.9	-176.1	0	0	0	113.6	V142 F177 Y178 S184	V142-L182 HydrophobicContact CG1-CD2 3.46Å; V142-L182 VanDerWaalsContact CG1-CD2 3.46Å; F177-L182 HydrophobicContact CD1-CD1 4.08Å; F177-L182 HydrophobicContact CD1-CG 4.33Å; F177-L182 HydrophobicContact CE1-CD1 3.33Å; F177-L182 HydrophobicContact CE1-CD2 4.45Å; F177-L182 HydrophobicContact CE1-CG 3.65Å; F177-L182 HydrophobicContact CZ-CD1 3.86Å; F177-L182 HydrophobicContact CZ-CD2 4.15Å; F177-L182 HydrophobicContact CZ-CG 3.75Å; F177-L182 PolarHBondContact O-N 2.99Å; 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 3.43Å; L182-S184 PolarHBondContact O-N 2.82Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.81Å
183	N	95.9	Very high	97.7	Very high	141 Å²	141	46.4 Å²	46.4	75%	0.754	23%	0.234	S	C	*	.			trans	46.3	45	-177.3	-164.9	51.9	0	0	0	111.9	Y178 Y179 P185	Y178-N183 PolarHBondContact O-N 2.69Å; Y179-N183 WeakPolarHBondContact O-CA 3.25Å; Y179-N183 PolarHBondContact O-N 3.28Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.38Å
184	S	97.3	Very high	97.7	Very high	25 Å²	25	47.8 Å²	47.8	18%	0.175	24%	0.244	C	C	.	.			trans	-121.9	68.8	-174.2	-65	0	0	0	0	109.9	Y178 L182 E186 K187 A188	Y178-S184 PolarHBondContact O-N 3.39Å; L182-S184 PolarHBondContact O-N 2.82Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.81Å; S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.46Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-K187 VanDerWaalsContact O-N 3.15Å; S184-A188 PolarHBondContact O-N 3.49Å
185	P	96.6	Very high	97.7	Very high	26 Å²	26	48.2 Å²	48.2	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-34	-174.3	24.1	-33.3	0	0	0	112.9	Y179 N183 K187 A188 C189	Y179-P185 HydrophobicContact CD2-CB 4.02Å; Y179-P185 HydrophobicContact CE2-CB 4.2Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.38Å; P185-K187 VanDerWaalsContact C-N 3.34Å; P185-K187 PolarHBondContact O-N 2.99Å; P185-A188 WeakPolarHBondContact O-CB 3.37Å; P185-A188 PolarHBondContact O-N 3.15Å; P185-C189 WeakPolarHBondContact O-CB 3.24Å; P185-C189 PolarHBondContact O-N 2.97Å; P185-C189 PolarHBondContact O-SG 3.43Å; P185-C189 VanDerWaalsContact O-SG 3.37Å
186	E	96.3	Very high	97.6	Very high	131 Å²	131	50 Å²	50	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-64.9	-40.6	178.7	-54.6	75.6	-165.9	0	0	111.2	S184 S190	S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.46Å; E186-S190 WeakPolarHBondContact O-CB 3.49Å; E186-S190 PolarHBondContact O-N 3.49Å
187	K	97.6	Very high	97.6	Very high	119 Å²	119	52.5 Å²	52.5	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-40.6	175.7	-70.1	-177.2	-179.3	170	0	111.3	Y178 S184 P185 L191	Y178-K187 HydrophobicContact CD1-CB 3.92Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.43Å; Y178-K187 HydrophobicContact CE1-CB 4.38Å; Y178-K187 HydrophobicContact CE1-CD 3.98Å; Y178-K187 HydrophobicContact CG-CB 3.97Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-K187 VanDerWaalsContact O-N 3.15Å; P185-K187 VanDerWaalsContact C-N 3.34Å; P185-K187 PolarHBondContact O-N 2.99Å; K187-L191 WeakPolarHBondContact O-CB 3.42Å; K187-L191 PolarHBondContact O-N 2.93Å
188	A	98.1	Very high	97.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-51.7	176.7	0	0	0	0	0	111.3	S175 S184 P185 L191 A192 W228	S175-A188 WeakPolarHBondContact CB-O 3.35Å; S175-A188 VanDerWaalsContact O-CB 3.24Å; S175-A188 WeakPolarHBondContact O-CB 3.34Å; S184-A188 PolarHBondContact O-N 3.49Å; P185-A188 WeakPolarHBondContact O-CB 3.37Å; P185-A188 PolarHBondContact O-N 3.15Å; A188-L191 PolarHBondContact O-N 2.83Å; A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 3.2Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å
189	C	98	Very high	97.5	Very high	20 Å²	20	54.4 Å²	54.4	14%	0.135	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-43.6	178.5	-71.3	0	0	0	0	111.9	P185 L191 A192 K193 L225	P185-C189 WeakPolarHBondContact O-CB 3.24Å; P185-C189 PolarHBondContact O-N 2.97Å; P185-C189 PolarHBondContact O-SG 3.43Å; P185-C189 VanDerWaalsContact O-SG 3.37Å; C189-L191 PolarHBondContact O-N 2.96Å; C189-A192 PolarHBondContact O-N 2.66Å; C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 3.44Å; C189-L225 HydrophobicContact CB-CD2 4.09Å; C189-L225 WeakPolarHBondContact O-CD2 3.49Å
190	S	97.9	Very high	97.4	Very high	73 Å²	73	55.6 Å²	55.6	51%	0.51	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-50.2	176.5	-178.8	0	0	0	0	111.5	E186 K193 T194	E186-S190 WeakPolarHBondContact O-CB 3.49Å; E186-S190 PolarHBondContact O-N 3.49Å; S190-K193 PolarHBondContact O-N 3.22Å; S190-T194 WeakPolarHBondContact O-CB 3.24Å; S190-T194 PolarHBondContact O-N 2.98Å; S190-T194 PolarHBondContact O-OG1 3.09Å; S190-T194 VanDerWaalsContact O-OG1 3.09Å
191	L	98.4	Very high	97.4	Very high	20 Å²	20	55 Å²	55	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-48	179.2	177.9	62.1	0	0	0	112.5	F153 F174 Y178 K187 A188 C189 T194 A195	F153-L191 HydrophobicContact CE1-CD1 4.19Å; F153-L191 HydrophobicContact CE2-CD1 3.59Å; F153-L191 HydrophobicContact CZ-CD1 3.34Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.71Å; F174-L191 HydrophobicContact CG-CD2 3.81Å; Y178-L191 HydrophobicContact CD2-CD2 3.99Å; Y178-L191 HydrophobicContact CE2-CD2 3.9Å; K187-L191 WeakPolarHBondContact O-CB 3.42Å; K187-L191 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 2.83Å; C189-L191 PolarHBondContact O-N 2.96Å; L191-T194 PolarHBondContact O-N 2.92Å; L191-A195 WeakPolarHBondContact O-CB 3.41Å; L191-A195 PolarHBondContact O-N 3.19Å
192	A	98.3	Very high	97.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-41.6	-179	0	0	0	0	0	111.6	A188 C189 A195 F196 L221 L225 W228	A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 3.2Å; C189-A192 PolarHBondContact O-N 2.66Å; A192-A195 PolarHBondContact O-N 2.77Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.39Å; A192-L221 HydrophobicContact CB-CD2 3.86Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.82Å; A192-L225 HydrophobicContact CB-CG 3.9Å; A192-W228 HydrophobicContact CB-CZ3 4.36Å
193	K	98	Very high	97.1	Very high	111 Å²	111	56.6 Å²	56.6	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-46.8	177.8	-175.6	176.7	-174.9	-60.7	0	111.6	C189 S190 A195 F196 D197 L225	C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 3.44Å; S190-K193 PolarHBondContact O-N 3.22Å; K193-A195 PolarHBondContact O-N 3.37Å; K193-F196 PolarHBondContact O-N 3.03Å; K193-D197 WeakPolarHBondContact CG-OD2 3.4Å; K193-D197 IonicContact NZ-OD2 3.69Å; K193-D197 PolarHBondContact NZ-OD2 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.4Å; K193-D197 VanDerWaalsContact O-CG 3.23Å; K193-D197 PolarHBondContact O-N 3.37Å; K193-L225 HydrophobicContact CB-CD1 4.17Å; K193-L225 HydrophobicContact CB-CD2 4.07Å
194	T	98.4	Very high	96.9	Very high	58 Å²	58	58 Å²	58	36%	0.356	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-47.2	176.1	-65.3	0	0	0	0	111.4	S190 L191 F196 D197 E198	S190-T194 WeakPolarHBondContact O-CB 3.24Å; S190-T194 PolarHBondContact O-N 2.98Å; S190-T194 PolarHBondContact O-OG1 3.09Å; S190-T194 VanDerWaalsContact O-OG1 3.09Å; L191-T194 PolarHBondContact O-N 2.92Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.25Å; T194-D197 PolarHBondContact O-N 3Å; T194-E198 HydrophobicContact CG2-CG 4.21Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.22Å; T194-E198 WeakPolarHBondContact O-CB 3.35Å; T194-E198 VanDerWaalsContact O-CG 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.46Å; T194-E198 PolarHBondContact O-N 3.04Å
195	A	98.2	Very high	96.4	Very high	11 Å²	11	61.5 Å²	61.5	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-39.7	179.1	0	0	0	0	0	112.6	A171 L191 A192 K193 A199 L221	A171-A195 HydrophobicContact CB-CB 3.43Å; A171-A195 VanDerWaalsContact CB-CB 3.43Å; L191-A195 WeakPolarHBondContact O-CB 3.41Å; L191-A195 PolarHBondContact O-N 3.19Å; A192-A195 PolarHBondContact O-N 2.77Å; K193-A195 PolarHBondContact O-N 3.37Å; A195-A199 VanDerWaalsContact O-CB 3.28Å; A195-A199 WeakPolarHBondContact O-CB 3.37Å; A195-A199 PolarHBondContact O-N 3.25Å; A195-A199 VanDerWaalsContact O-N 3.09Å; A195-L221 HydrophobicContact CB-CD1 4.32Å
196	F	98	Very high	96	Very high	37 Å²	37	61.5 Å²	61.5	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-47.7	176.8	-175.5	-97.9	0	0	0	112.1	A192 K193 T194 A199 I200 M218 L221 R222	A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.39Å; K193-F196 PolarHBondContact O-N 3.03Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.25Å; F196-A199 PolarHBondContact O-N 3.19Å; F196-I200 HydrophobicContact CD1-CD1 3.69Å; F196-I200 HydrophobicContact CD1-CG1 4.33Å; F196-I200 HydrophobicContact CE1-CD1 3.1Å; F196-I200 HydrophobicContact CE1-CG1 4.1Å; F196-I200 HydrophobicContact CE2-CD1 4.22Å; F196-I200 HydrophobicContact CG-CD1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.42Å; F196-I200 VanDerWaalsContact CZ-CD1 3.42Å; F196-I200 HydrophobicContact CZ-CG1 4.25Å; F196-I200 WeakPolarHBondContact O-CB 3.36Å; F196-I200 WeakPolarHBondContact O-CG1 3.5Å; F196-I200 PolarHBondContact O-N 2.98Å; F196-M218 HydrophobicContact CD2-CB 4.1Å; F196-M218 WeakPolarHBondContact CD2-O 3.48Å; F196-M218 HydrophobicContact CE2-CB 4.09Å; F196-M218 WeakPolarHBondContact CE2-O 3.33Å; F196-L221 HydrophobicContact CD2-CB 4.43Å; F196-R222 HydrophobicContact CD2-CB 4.38Å; F196-R222 HydrophobicContact CE2-CB 3.84Å; F196-R222 HydrophobicContact CE2-CG 4.45Å; F196-R222 HydrophobicContact CZ-CB 4.15Å; F196-R222 HydrophobicContact CZ-CG 4.25Å
197	D	98	Very high	95.5	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-43.3	-179.6	-69.1	-15.3	0	0	0	111.3	K193 T194 I200 A201	K193-D197 WeakPolarHBondContact CG-OD2 3.4Å; K193-D197 IonicContact NZ-OD2 3.69Å; K193-D197 PolarHBondContact NZ-OD2 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.4Å; K193-D197 VanDerWaalsContact O-CG 3.23Å; K193-D197 PolarHBondContact O-N 3.37Å; T194-D197 PolarHBondContact O-N 3Å; D197-I200 PolarHBondContact O-N 3.37Å; D197-A201 PolarHBondContact O-N 3.34Å; D197-A201 VanDerWaalsContact O-N 3.11Å
198	E	97.5	Very high	95	Very high	67 Å²	67	61.4 Å²	61.4	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.3	-72.1	176.8	176.2	0	0	111.5	P162 R167 T194 A201 E202	P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.33Å; R167-E198 IonicContact CZ-OE2 3.72Å; R167-E198 IonicContact NH2-OE2 3.78Å; R167-E198 PolarHBondContact NH2-OE2 2.84Å; T194-E198 HydrophobicContact CG2-CG 4.21Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.22Å; T194-E198 WeakPolarHBondContact O-CB 3.35Å; T194-E198 VanDerWaalsContact O-CG 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.46Å; T194-E198 PolarHBondContact O-N 3.04Å; E198-A201 PolarHBondContact O-N 2.97Å; E198-E202 PolarHBondContact O-N 3.14Å
199	A	96.9	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	-71.9	-34.3	-179.7	0	0	0	0	0	113.1	T163 L168 A195 F196 A201 E202 L203 M218	T163-A199 HydrophobicContact CG2-CB 4.4Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; A195-A199 VanDerWaalsContact O-CB 3.28Å; A195-A199 WeakPolarHBondContact O-CB 3.37Å; A195-A199 PolarHBondContact O-N 3.25Å; A195-A199 VanDerWaalsContact O-N 3.09Å; F196-A199 PolarHBondContact O-N 3.19Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-E202 PolarHBondContact O-N 2.93Å; A199-L203 WeakPolarHBondContact O-CA 3.48Å; A199-L203 WeakPolarHBondContact O-CB 3.33Å; A199-L203 PolarHBondContact O-N 3.28Å; A199-M218 HydrophobicContact CB-CE 3.88Å; A199-M218 HydrophobicContact CB-CG 4.28Å; A199-M218 HydrophobicContact CB-SD 3.93Å
200	I	96.3	Very high	94.1	Very high	87 Å²	87	70.4 Å²	70.4	45%	0.446	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-44.5	172	-79.9	-172.7	0	0	0	110.8	F196 D197 E202 L203 M218	F196-I200 HydrophobicContact CD1-CD1 3.69Å; F196-I200 HydrophobicContact CD1-CG1 4.33Å; F196-I200 HydrophobicContact CE1-CD1 3.1Å; F196-I200 HydrophobicContact CE1-CG1 4.1Å; F196-I200 HydrophobicContact CE2-CD1 4.22Å; F196-I200 HydrophobicContact CG-CD1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.42Å; F196-I200 VanDerWaalsContact CZ-CD1 3.42Å; F196-I200 HydrophobicContact CZ-CG1 4.25Å; F196-I200 WeakPolarHBondContact O-CB 3.36Å; F196-I200 WeakPolarHBondContact O-CG1 3.5Å; F196-I200 PolarHBondContact O-N 2.98Å; D197-I200 PolarHBondContact O-N 3.37Å; I200-E202 PolarHBondContact O-N 3.19Å; I200-L203 WeakPolarHBondContact O-CB 3.46Å; I200-L203 PolarHBondContact O-N 3.29Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å
201	A	96.5	Very high	93.8	Very high	84 Å²	84	72.7 Å²	72.7	69%	0.694	38%	0.382	S	S	*	.	H	α-helix	trans	-61.8	-24.9	-177.1	0	0	0	0	0	113.2	D197 E198 A199	D197-A201 PolarHBondContact O-N 3.34Å; D197-A201 VanDerWaalsContact O-N 3.11Å; E198-A201 PolarHBondContact O-N 2.97Å; A199-A201 VanDerWaalsContact C-N 3.33Å
202	E	95.3	Very high	93.6	Very high	67 Å²	67	79.4 Å²	79.4	31%	0.313	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	9.6	-178.4	-65.1	-173.2	-156	0	0	113.4	Q161 P162 T163 E198 A199 I200 D204 T205	Q161-E202 PolarHBondContact OE1-OE2 3.32Å; P162-E202 WeakPolarHBondContact CD-OE2 3.17Å; T163-E202 HydrophobicContact CG2-CB 3.92Å; E198-E202 PolarHBondContact O-N 3.14Å; A199-E202 PolarHBondContact O-N 2.93Å; I200-E202 PolarHBondContact O-N 3.19Å; E202-D204 PolarHBondContact O-N 3Å; E202-D204 VanDerWaalsContact O-N 3.17Å; E202-T205 WeakPolarHBondContact O-CB 3.47Å; E202-T205 PolarHBondContact O-N 2.92Å; E202-T205 PolarHBondContact O-OG1 2.67Å
203	L	92.1	Very high	93.4	Very high	42 Å²	42	83.7 Å²	83.7	22%	0.22	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33.5	-172.4	-171	62.2	0	0	0	113	A199 I200 T205 L206 T215 M218	A199-L203 WeakPolarHBondContact O-CA 3.48Å; A199-L203 WeakPolarHBondContact O-CB 3.33Å; A199-L203 PolarHBondContact O-N 3.28Å; I200-L203 WeakPolarHBondContact O-CB 3.46Å; I200-L203 PolarHBondContact O-N 3.29Å; L203-T205 PolarHBondContact O-N 3.08Å; L203-L206 HydrophobicContact CD1-CD2 4Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.27Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-T215 HydrophobicContact CD1-CG2 4.21Å; L203-M218 HydrophobicContact CD1-CE 4.29Å; L203-M218 HydrophobicContact CD1-SD 3.92Å
204	D	90.6	Very high	93.3	Very high	169 Å²	169	78.4 Å²	78.4	90%	0.904	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.6	178.6	-67.2	-24.4	0	0	0	113.4	E202	E202-D204 PolarHBondContact O-N 3Å; E202-D204 VanDerWaalsContact O-N 3.17Å
205	T	87	Confident	93.2	Very high	99 Å²	99	77.6 Å²	77.6	61%	0.607	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-87.5	-7.4	178.2	71.4	0	0	0	0	113.3	E202 L203	E202-T205 WeakPolarHBondContact O-CB 3.47Å; E202-T205 PolarHBondContact O-N 2.92Å; E202-T205 PolarHBondContact O-OG1 2.67Å; L203-T205 PolarHBondContact O-N 3.08Å
206	L	87.9	Confident	93.1	Very high	27 Å²	27	82 Å²	82	14%	0.141	43%	0.427	C	S	.	.			trans	-74.3	136.7	-169.6	-167.5	56.8	0	0	0	111.9	L203 Y211	L203-L206 HydrophobicContact CD1-CD2 4Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.27Å; L203-L206 PolarHBondContact O-N 3.35Å; L206-Y211 HydrophobicContact CB-CD2 4.46Å; L206-Y211 HydrophobicContact CD2-CD2 4.09Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å
207	S	87.1	Confident	93.2	Very high	60 Å²	60	81.6 Å²	81.6	42%	0.42	43%	0.427	S	S	.	.			trans	-70	152	174.2	69.8	0	0	0	0	111.6	E209 S210 Y211	S207-E209 PolarHBondContact O-N 3.26Å; S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 3.41Å; S207-Y211 WeakPolarHBondContact O-CB 3.35Å; S207-Y211 PolarHBondContact O-N 3.13Å
208	E	87	Confident	93.1	Very high	187 Å²	187	78.8 Å²	78.8	87%	0.874	41%	0.411	S	S	*	.	H	α-helix	trans	-56.8	-34.8	176.8	-169.2	176.4	-179.2	0	0	112.2	Y211	E208-Y211 PolarHBondContact O-N 2.97Å
209	E	87	Confident	93.2	Very high	177 Å²	177	78.5 Å²	78.5	83%	0.827	41%	0.41	S	S	*	.	H	α-helix	trans	-64.2	-40.7	178.6	-174	177.7	-171.3	0	0	112.8	S207	S207-E209 PolarHBondContact O-N 3.26Å
210	S	89.8	Confident	93.2	Very high	32 Å²	32	82.1 Å²	82.1	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-90.5	-15.2	-179.1	-65	0	0	0	0	113.3	S207 K212 D213 S214	S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 3.41Å; S210-K212 VanDerWaalsContact C-N 3.34Å; S210-K212 PolarHBondContact O-N 3.37Å; S210-D213 PolarHBondContact O-N 3.43Å; S210-S214 PolarHBondContact O-N 2.84Å; S210-S214 PolarHBondContact O-OG 3.42Å
211	Y	91.4	Very high	93.3	Very high	122 Å²	122	78 Å²	78	48%	0.478	41%	0.408	S	S	.	.	H	α-helix	trans	-53.6	-48.6	-172	-169	-90.6	0	0	0	113.1	L206 S207 E208 T215	L206-Y211 HydrophobicContact CB-CD2 4.46Å; L206-Y211 HydrophobicContact CD2-CD2 4.09Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å; S207-Y211 WeakPolarHBondContact O-CB 3.35Å; S207-Y211 PolarHBondContact O-N 3.13Å; E208-Y211 PolarHBondContact O-N 2.97Å; Y211-T215 HydrophobicContact CD1-CG2 4.16Å; Y211-T215 HydrophobicContact CE1-CG2 3.85Å; Y211-T215 HydrophobicContact CE2-CG2 4.28Å; Y211-T215 HydrophobicContact CG-CG2 4.5Å; Y211-T215 WeakPolarHBondContact O-CB 3.46Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.27Å; Y211-T215 PolarHBondContact O-OG1 3.41Å
212	K	93.7	Very high	93.4	Very high	161 Å²	161	79.5 Å²	79.5	70%	0.7	40%	0.395	S	S	*	.	H	α-helix	trans	-63.9	-44.7	-177.9	-175.7	-177.8	174.8	-173.2	0	112.4	S210 T215 L216	S210-K212 VanDerWaalsContact C-N 3.34Å; S210-K212 PolarHBondContact O-N 3.37Å; K212-T215 PolarHBondContact O-OG1 3.25Å; K212-L216 WeakPolarHBondContact O-CB 3.13Å; K212-L216 PolarHBondContact O-N 2.7Å; K212-L216 VanDerWaalsContact O-N 3.16Å
213	D	94.4	Very high	93.5	Very high	89 Å²	89	79.6 Å²	79.6	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-72.2	-44.5	-175.8	-71.7	-13.7	0	0	0	111.3	P165 S210 L216 I217	P165-D213 HydrophobicContact CB-CB 4.16Å; P165-D213 HydrophobicContact CG-CB 4.11Å; S210-D213 PolarHBondContact O-N 3.43Å; D213-L216 PolarHBondContact O-N 3.38Å; D213-I217 VanDerWaalsContact O-CG1 3.26Å; D213-I217 WeakPolarHBondContact O-CG1 3.49Å; D213-I217 PolarHBondContact O-N 3.36Å; D213-I217 VanDerWaalsContact O-N 3.09Å
214	S	96.2	Very high	93.7	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-45.2	178.5	-59.8	0	0	0	0	112.2	T163 P165 S210 L216 I217 M218	T163-S214 WeakPolarHBondContact O-CB 3.2Å; T163-S214 PolarHBondContact O-OG 2.9Å; P165-S214 WeakPolarHBondContact CD-OG 3.5Å; P165-S214 WeakPolarHBondContact CG-OG 3.25Å; S210-S214 PolarHBondContact O-N 2.84Å; S210-S214 PolarHBondContact O-OG 3.42Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 2.86Å; S214-I217 PolarHBondContact O-N 3.22Å; S214-I217 VanDerWaalsContact O-N 3.16Å; S214-M218 VanDerWaalsContact O-CG 3.25Å; S214-M218 WeakPolarHBondContact O-CG 3.37Å; S214-M218 PolarHBondContact O-N 2.85Å
215	T	96.3	Very high	94	Very high	42 Å²	42	72.5 Å²	72.5	26%	0.258	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-36.5	179.8	52.9	0	0	0	0	112.2	L203 Y211 K212 M218 Q219	L203-T215 HydrophobicContact CD1-CG2 4.21Å; Y211-T215 HydrophobicContact CD1-CG2 4.16Å; Y211-T215 HydrophobicContact CE1-CG2 3.85Å; Y211-T215 HydrophobicContact CE2-CG2 4.28Å; Y211-T215 HydrophobicContact CG-CG2 4.5Å; Y211-T215 WeakPolarHBondContact O-CB 3.46Å; Y211-T215 VanDerWaalsContact O-CG2 3.25Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.27Å; Y211-T215 PolarHBondContact O-OG1 3.41Å; K212-T215 PolarHBondContact O-OG1 3.25Å; T215-M218 PolarHBondContact O-N 2.9Å; T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.89Å
216	L	97.2	Very high	94.4	Very high	103 Å²	103	71.9 Å²	71.9	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-43.1	172.1	178.9	62.3	0	0	0	111.7	K212 D213 S214 Q219 L220	K212-L216 WeakPolarHBondContact O-CB 3.13Å; K212-L216 PolarHBondContact O-N 2.7Å; K212-L216 VanDerWaalsContact O-N 3.16Å; D213-L216 PolarHBondContact O-N 3.38Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 2.86Å; L216-Q219 WeakPolarHBondContact O-CB 3.49Å; L216-Q219 PolarHBondContact O-N 3.14Å; L216-L220 WeakPolarHBondContact O-CG 3.32Å; L216-L220 PolarHBondContact O-N 2.73Å; L216-L220 VanDerWaalsContact O-N 3.14Å
217	I	98	Very high	94.7	Very high	29 Å²	29	75 Å²	75	15%	0.149	37%	0.372	C	S	.	.	H	α-helix	trans	-69.8	-39.8	178.8	-61.5	164.1	0	0	0	111.3	P165 L168 L172 D213 S214 Q219 L220 L221	P165-I217 HydrophobicContact CB-CD1 4.16Å; P165-I217 VanDerWaalsContact O-CD1 3.31Å; P165-I217 WeakPolarHBondContact O-CD1 3.36Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.45Å; L168-I217 HydrophobicContact CB-CG2 3.63Å; L172-I217 HydrophobicContact CB-CG2 4.29Å; L172-I217 HydrophobicContact CD2-CG2 4.16Å; D213-I217 VanDerWaalsContact O-CG1 3.26Å; D213-I217 WeakPolarHBondContact O-CG1 3.49Å; D213-I217 PolarHBondContact O-N 3.36Å; D213-I217 VanDerWaalsContact O-N 3.09Å; S214-I217 PolarHBondContact O-N 3.22Å; S214-I217 VanDerWaalsContact O-N 3.16Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.04Å; I217-L220 WeakPolarHBondContact O-CB 3.13Å; I217-L220 PolarHBondContact O-N 3.19Å; I217-L221 PolarHBondContact O-N 3.28Å
218	M	97.9	Very high	95.1	Very high	10 Å²	10	72.5 Å²	72.5	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-39.2	174.2	-70.4	169.8	72	0	0	111.6	L168 F196 A199 I200 L203 S214 T215 L221 R222	L168-M218 HydrophobicContact CD1-CG 3.94Å; L168-M218 HydrophobicContact CD1-SD 4.4Å; L168-M218 HydrophobicContact CD2-CG 4.11Å; F196-M218 HydrophobicContact CD2-CB 4.1Å; F196-M218 WeakPolarHBondContact CD2-O 3.48Å; F196-M218 HydrophobicContact CE2-CB 4.09Å; F196-M218 WeakPolarHBondContact CE2-O 3.33Å; A199-M218 HydrophobicContact CB-CE 3.88Å; A199-M218 HydrophobicContact CB-CG 4.28Å; A199-M218 HydrophobicContact CB-SD 3.93Å; 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 4.29Å; L203-M218 HydrophobicContact CD1-SD 3.92Å; S214-M218 VanDerWaalsContact O-CG 3.25Å; S214-M218 WeakPolarHBondContact O-CG 3.37Å; S214-M218 PolarHBondContact O-N 2.85Å; T215-M218 PolarHBondContact O-N 2.9Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 3.15Å; M218-R222 PolarHBondContact O-N 2.98Å
219	Q	98	Very high	95.3	Very high	62 Å²	62	66.4 Å²	66.4	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-46.5	173.3	177.1	55.9	38.1	0	0	111.4	T215 L216 I217 L221 R222 D223	T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.89Å; L216-Q219 WeakPolarHBondContact O-CB 3.49Å; L216-Q219 PolarHBondContact O-N 3.14Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.04Å; Q219-L221 PolarHBondContact O-N 3.26Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.22Å; Q219-D223 PolarHBondContact NE2-OD1 3.29Å; Q219-D223 PolarHBondContact NE2-OD2 3.4Å; Q219-D223 PolarHBondContact O-N 2.7Å
220	L	98.3	Very high	95.3	Very high	76 Å²	76	61 Å²	61	40%	0.398	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.5	-66	171.8	0	0	0	112.7	L172 L216 I217 D223 N224	L172-L220 HydrophobicContact CD1-CB 4.11Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.91Å; L216-L220 WeakPolarHBondContact O-CG 3.32Å; L216-L220 PolarHBondContact O-N 2.73Å; L216-L220 VanDerWaalsContact O-N 3.14Å; I217-L220 WeakPolarHBondContact O-CB 3.13Å; I217-L220 PolarHBondContact O-N 3.19Å; L220-D223 PolarHBondContact O-N 3.21Å; L220-N224 PolarHBondContact O-N 3.39Å
221	L	98.3	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-45.6	174	-78.5	167.8	0	0	0	111.5	L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225	L168-L221 HydrophobicContact CD2-CD1 4Å; L172-L221 HydrophobicContact CB-CD2 3.91Å; L172-L221 HydrophobicContact CB-CG 4.22Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.2Å; A192-L221 HydrophobicContact CB-CD2 3.86Å; A195-L221 HydrophobicContact CB-CD1 4.32Å; F196-L221 HydrophobicContact CD2-CB 4.43Å; I217-L221 PolarHBondContact O-N 3.28Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 3.15Å; Q219-L221 PolarHBondContact O-N 3.26Å; L221-N224 PolarHBondContact O-N 3.38Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 3.02Å
222	R	97.6	Very high	93.7	Very high	116 Å²	116	58.7 Å²	58.7	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-41.4	177.5	-171.2	-171.8	73.9	-169.6	5.7	112.3	F196 M218 Q219 L225 T226	F196-R222 HydrophobicContact CD2-CB 4.38Å; F196-R222 HydrophobicContact CE2-CB 3.84Å; F196-R222 HydrophobicContact CE2-CG 4.45Å; F196-R222 HydrophobicContact CZ-CB 4.15Å; F196-R222 HydrophobicContact CZ-CG 4.25Å; M218-R222 PolarHBondContact O-N 2.98Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.22Å; R222-L225 PolarHBondContact O-N 3.28Å; R222-T226 PolarHBondContact O-N 3.35Å; R222-T226 PolarHBondContact O-OG1 3Å
223	D	97.8	Very high	92.2	Very high	69 Å²	69	57.5 Å²	57.5	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-41.4	-179.2	-64.9	-13.2	0	0	0	110.6	Q219 L220 T226 L227	Q219-D223 PolarHBondContact NE2-OD1 3.29Å; Q219-D223 PolarHBondContact NE2-OD2 3.4Å; Q219-D223 PolarHBondContact O-N 2.7Å; L220-D223 PolarHBondContact O-N 3.21Å; D223-T226 WeakPolarHBondContact O-CB 3.32Å; D223-T226 PolarHBondContact O-N 2.85Å; D223-L227 PolarHBondContact O-N 2.92Å
224	N	96.7	Very high	90.4	Very high	35 Å²	35	55 Å²	55	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-45.2	172.2	-78.5	2.7	0	0	0	112.5	L172 L220 L221 T226 L227 W228	L172-N224 VanDerWaalsContact CD1-ND2 3.33Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.42Å; L220-N224 PolarHBondContact O-N 3.39Å; L221-N224 PolarHBondContact O-N 3.38Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 2.99Å; N224-W228 HydrophobicContact CB-CD2 4.18Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.67Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.8Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.3Å; N224-W228 WeakPolarHBondContact O-CB 3.39Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.24Å
225	L	96.6	Very high	88.4	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-42.3	175.8	-76.8	168.1	0	0	0	111.7	C189 A192 K193 L221 R222 T229	C189-L225 HydrophobicContact CB-CD2 4.09Å; C189-L225 WeakPolarHBondContact O-CD2 3.49Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.82Å; A192-L225 HydrophobicContact CB-CG 3.9Å; K193-L225 HydrophobicContact CB-CD1 4.17Å; K193-L225 HydrophobicContact CB-CD2 4.07Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 3.02Å; R222-L225 PolarHBondContact O-N 3.28Å; L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 VanDerWaalsContact O-CG2 3.27Å; L225-T229 WeakPolarHBondContact O-CG2 3.45Å; L225-T229 PolarHBondContact O-N 2.77Å; L225-T229 VanDerWaalsContact O-N 3.08Å; L225-T229 PolarHBondContact O-OG1 2.97Å
226	T	95.8	Very high	86.2	Confident	87 Å²	87	65.4 Å²	65.4	53%	0.534	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-48	177.7	-55.7	0	0	0	0	111	R222 D223 N224 T229 S230	R222-T226 PolarHBondContact O-N 3.35Å; R222-T226 PolarHBondContact O-OG1 3Å; D223-T226 WeakPolarHBondContact O-CB 3.32Å; D223-T226 PolarHBondContact O-N 2.85Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; T226-T229 PolarHBondContact O-OG1 3.15Å; T226-S230 PolarHBondContact O-N 3.05Å; T226-S230 PolarHBondContact O-OG 3.18Å
227	L	94.6	Very high	83.8	Confident	91 Å²	91	63.7 Å²	63.7	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-51.7	179.8	-179.7	66.1	0	0	0	111.9	D223 N224 T229 S230 D231	D223-L227 PolarHBondContact O-N 2.92Å; N224-L227 PolarHBondContact O-N 2.99Å; L227-T229 VanDerWaalsContact C-N 3.33Å; L227-T229 PolarHBondContact O-N 3.39Å; L227-S230 PolarHBondContact O-N 2.87Å; L227-S230 PolarHBondContact O-OG 3.25Å; L227-D231 PolarHBondContact O-N 3.43Å
228	W	95	Very high	81.1	Confident	9 Å²	9	70.2 Å²	70.2	3%	0.034	38%	0.379	C	S	.	.	H	α-helix	trans	-71.7	-28.3	-173.1	-58.4	-26.7	0	0	0	113.3	S175 V176 Y179 A188 A192 N224 T232	S175-W228 WeakPolarHBondContact OG-CH2 3.45Å; V176-W228 HydrophobicContact CG2-CH2 3.92Å; V176-W228 HydrophobicContact CG2-CZ2 3.92Å; Y179-W228 AromaticContact CD1-CD1 3.97Å; Y179-W228 AromaticContact CD1-NE1 3.52Å; Y179-W228 HydrophobicContact CD2-CB 3.98Å; Y179-W228 AromaticContact CD2-CD1 3.45Å; Y179-W228 VanDerWaalsContact CD2-CD1 3.45Å; Y179-W228 AromaticContact CD2-CD2 3.76Å; Y179-W228 HydrophobicContact CD2-CD2 3.76Å; Y179-W228 AromaticContact CD2-CE2 3.9Å; Y179-W228 AromaticContact CD2-CG 3.46Å; Y179-W228 HydrophobicContact CD2-CG 3.46Å; Y179-W228 VanDerWaalsContact CD2-CG 3.46Å; Y179-W228 AromaticContact CD2-NE1 3.69Å; Y179-W228 AromaticContact CE1-CD1 3.71Å; Y179-W228 AromaticContact CE1-NE1 3.61Å; Y179-W228 HydrophobicContact CE2-CB 3.73Å; Y179-W228 AromaticContact CE2-CD1 3.15Å; Y179-W228 HydrophobicContact CE2-CD2 4.21Å; 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 3.76Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.04Å; Y179-W228 AromaticContact CG-CE2 3.71Å; Y179-W228 HydrophobicContact CG-CG 4.11Å; Y179-W228 HydrophobicContact CG-CZ2 4.21Å; Y179-W228 AromaticContact CG-NE1 3.57Å; Y179-W228 AromaticContact CZ-CD1 3.3Å; Y179-W228 AromaticContact CZ-NE1 3.72Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å; A192-W228 HydrophobicContact CB-CZ3 4.36Å; N224-W228 HydrophobicContact CB-CD2 4.18Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.67Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.8Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.3Å; N224-W228 WeakPolarHBondContact O-CB 3.39Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.24Å; W228-T232 PolarHBondContact O-N 3.22Å; W228-T232 PolarHBondContact O-OG1 3.19Å
229	T	90.4	Very high	78.8	Confident	59 Å²	59	73.9 Å²	73.9	36%	0.362	41%	0.411	S	S	.	.	H	α-helix	trans	-78.7	-27.4	175.4	54.3	0	0	0	0	112.9	L225 T226 L227 Q233	L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 VanDerWaalsContact O-CG2 3.27Å; L225-T229 WeakPolarHBondContact O-CG2 3.45Å; L225-T229 PolarHBondContact O-N 2.77Å; L225-T229 VanDerWaalsContact O-N 3.08Å; L225-T229 PolarHBondContact O-OG1 2.97Å; T226-T229 PolarHBondContact O-OG1 3.15Å; L227-T229 VanDerWaalsContact C-N 3.33Å; L227-T229 PolarHBondContact O-N 3.39Å; T229-Q233 WeakPolarHBondContact O-CG 3.36Å; T229-Q233 PolarHBondContact O-N 3.48Å
230	S	86.7	Confident	76.1	Confident	64 Å²	64	73.9 Å²	73.9	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-69.3	-36.1	170	53.7	0	0	0	0	112.5	T226 L227 Q233 G234	T226-S230 PolarHBondContact O-N 3.05Å; T226-S230 PolarHBondContact O-OG 3.18Å; L227-S230 PolarHBondContact O-N 2.87Å; L227-S230 PolarHBondContact O-OG 3.25Å; S230-Q233 PolarHBondContact O-N 3.25Å; S230-G234 PolarHBondContact O-N 3.21Å
231	D	77.5	Confident	73.5	Confident	61 Å²	61	79.2 Å²	79.2	33%	0.326	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-41.1	178.3	-63.1	-22.4	0	0	0	111.3	Y179 L227 Q233 G234 D235	Y179-D231 PolarHBondContact OH-OD2 3.5Å; L227-D231 PolarHBondContact O-N 3.43Å; D231-Q233 VanDerWaalsContact C-N 3.34Å; D231-Q233 PolarHBondContact O-N 3.38Å; D231-G234 PolarHBondContact O-N 3.13Å; D231-D235 PolarHBondContact O-N 3.43Å
232	T	70	Confident	70.7	Confident	43 Å²	43	82.7 Å²	82.7	26%	0.264	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-34.1	179.8	-1.2	0	0	0	0	112.6	W228 E236	W228-T232 PolarHBondContact O-N 3.22Å; W228-T232 PolarHBondContact O-OG1 3.19Å; T232-E236 WeakPolarHBondContact O-CG 3.43Å; T232-E236 PolarHBondContact O-N 2.93Å
233	Q	63.2	Low	67.7	Low	136 Å²	136	80.8 Å²	80.8	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-72.9	-29.7	176.1	-70.8	177.1	21.1	0	0	112.7	T229 S230 D231 A237	T229-Q233 WeakPolarHBondContact O-CG 3.36Å; T229-Q233 PolarHBondContact O-N 3.48Å; S230-Q233 PolarHBondContact O-N 3.25Å; D231-Q233 VanDerWaalsContact C-N 3.34Å; D231-Q233 PolarHBondContact O-N 3.38Å; Q233-A237 WeakPolarHBondContact O-CB 3.45Å; Q233-A237 PolarHBondContact O-N 3.22Å; Q233-A237 VanDerWaalsContact O-N 3.13Å
234	G	57.1	Low	64.8	Low	37 Å²	37	85.9 Å²	85.9	38%	0.381	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-45.4	174.2	0	0	0	0	0	112.3	S230 D231 E236 A237 E238	S230-G234 PolarHBondContact O-N 3.21Å; D231-G234 PolarHBondContact O-N 3.13Å; G234-E236 PolarHBondContact O-N 3.24Å; G234-A237 PolarHBondContact O-N 3.28Å; G234-E238 PolarHBondContact O-N 3.5Å
235	D	54	Low	62	Low	119 Å²	119	95.3 Å²	95.3	64%	0.636	57%	0.574	S	S	*	*	H	α-helix	trans	-66.9	-35.7	178.2	-71.3	-16	0	0	0	112.3	D231 A239	D231-D235 PolarHBondContact O-N 3.43Å; D235-A239 PolarHBondContact O-N 3.36Å
236	E	49.4	Very low	60.2	Low	142 Å²	142	98.8 Å²	98.8	66%	0.664	60%	0.596	S	S	*	*	H	α-helix	trans	-69.4	-32.8	174.6	-75.2	-178.5	179	0	0	112.9	T232 G234 A239 G240	T232-E236 WeakPolarHBondContact O-CG 3.43Å; T232-E236 PolarHBondContact O-N 2.93Å; G234-E236 PolarHBondContact O-N 3.24Å; E236-A239 PolarHBondContact O-N 3.43Å; E236-G240 PolarHBondContact O-N 3.26Å
237	A	47.5	Very low	58.4	Low	67 Å²	67	99.4 Å²	99.4	55%	0.554	60%	0.599	S	S	*	*	H	α-helix	trans	-69.9	-37.3	177.3	0	0	0	0	0	112.2	Q233 G234 A239 G240	Q233-A237 WeakPolarHBondContact O-CB 3.45Å; Q233-A237 PolarHBondContact O-N 3.22Å; Q233-A237 VanDerWaalsContact O-N 3.13Å; G234-A237 PolarHBondContact O-N 3.28Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-G240 PolarHBondContact O-N 3.32Å
238	E	41.7	Very low	56.4	Low	166 Å²	166	99.8 Å²	99.8	78%	0.776	61%	0.606	S	S	*	*	H	α-helix	trans	-70.8	-28.9	174.4	-71	-166	172.3	0	0	112.7	G234 G240	G234-E238 PolarHBondContact O-N 3.5Å; E238-G240 VanDerWaalsContact C-N 3.26Å; E238-G240 PolarHBondContact O-N 3.41Å
239	A	48.1	Very low	54.1	Low	87 Å²	87	105.2 Å²	105.2	72%	0.719	64%	0.639	S	S	*	*	H	α-helix	trans	-73.8	-14.4	174.5	0	0	0	0	0	113.8	D235 E236 A237	D235-A239 PolarHBondContact O-N 3.36Å; E236-A239 PolarHBondContact O-N 3.43Å; A237-A239 VanDerWaalsContact C-N 3.34Å
240	G	41.8	Very low	51.8	Low	61 Å²	61	108.1 Å²	108.1	63%	0.629	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-18.4	-176.7	0	0	0	0	0	115.9	E236 A237 E238	E236-G240 PolarHBondContact O-N 3.26Å; A237-G240 PolarHBondContact O-N 3.32Å; E238-G240 VanDerWaalsContact C-N 3.26Å; E238-G240 PolarHBondContact O-N 3.41Å
241	E	43.2	Very low	49.5	Very low	189 Å²	189	111 Å²	111	88%	0.883	67%	0.671	S	S	*	*	S	Bend	trans	-106.2	69.8	-178.7	-69.9	-166.7	174.9	0	0	111.8
242	G	41.1	Very low	47.5	Very low	73 Å²	73	114.6 Å²	114.6	75%	0.753	70%	0.695	S	S	*	*			trans	-151.5	6.2	174.6	0	0	0	0	0	116.1	E244	G242-E244 PolarHBondContact O-N 3.44Å
243	G	34.5	Very low	45.7	Very low	75 Å²	75	120.1 Å²	120.1	77%	0.773	73%	0.729	S	S	*	*			trans	-95.2	81.9	179.7	0	0	0	0	0	112.1
244	E	35.9	Very low	44.3	Very low	176 Å²	176	118.8 Å²	118.8	82%	0.822	74%	0.736	S	S	*	*			trans	-153.7	117.1	163	-107.9	172.2	-151.5	0	0	112	G242	G242-E244 PolarHBondContact O-N 3.44Å
245	N	37.4	Very low	43.1	Very low	233 Å²	233	126.2 Å²	126.2	100%	1.246	77%	0.769	S	S	*	*			trans	87.1	0	168.2	-55.2	-36.7	0	0	0	119.4

Retrieved 245 of 245 residues in 328.9 ms (Link to these results)

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