1433T_BOVIN Loading...

14-3-3 protein theta

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Negatively regulates the kinase activity of PDPK1 (By similarity).

AlphaFold DB (P27348), UniProt , Accession Q3SZI4, Species BOVIN (Bos taurus, Bovine), Gene YWHAQ, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.7	Confident	94.6	Very high	127 Å²	127	73.6 Å²	73.6	63%	0.626	35%	0.354	S	S	*	.				0	134.1	0	-161.8	171.1	-62.3	0	0	106.3	E5 L6 K9	M1-E5 HydrophobicContact CG-CB 3.71Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.25Å; M1-L6 HydrophobicContact CB-CD1 4.34Å; M1-L6 HydrophobicContact CB-CD2 4.13Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CG-CD2 4.13Å; M1-L6 HydrophobicContact CG-CG 3.96Å; M1-L6 HydrophobicContact SD-CD2 3.51Å; M1-L6 VanDerWaalsContact SD-CD2 3.51Å; M1-L6 HydrophobicContact SD-CG 3.91Å; M1-K9 HydrophobicContact CE-CD 4.45Å; M1-K9 HydrophobicContact SD-CD 3.76Å; M1-K9 PolarHBondContact SD-NZ 3.26Å
2	E	90.9	Very high	94.9	Very high	139 Å²	139	76.9 Å²	76.9	65%	0.65	37%	0.374	S	S	*	.			trans	-68.3	150.5	179.8	-67.8	-168.5	159.5	0	0	110.5	T4 E5 L6	E2-T4 PolarHBondContact O-N 2.96Å; E2-E5 HydrophobicContact CB-CG 4.32Å; E2-E5 PolarHBondContact N-OE2 2.92Å; E2-E5 VanDerWaalsContact N-OE2 3.16Å; E2-E5 PolarHBondContact O-N 2.93Å; E2-E5 VanDerWaalsContact O-N 3.09Å; E2-L6 PolarHBondContact O-N 3.45Å; E2-L6 VanDerWaalsContact O-N 3.13Å
3	K	95.3	Very high	95.2	Very high	53 Å²	53	71.7 Å²	71.7	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-49.2	-45.9	177.9	-173.4	176.3	178.1	-167.7	0	111.6	E5 L6 I7 V29 E40	K3-E5 PolarHBondContact O-N 3.36Å; K3-L6 PolarHBondContact O-N 3.5Å; K3-I7 WeakPolarHBondContact O-CG1 3.48Å; K3-I7 PolarHBondContact O-N 3.3Å; K3-V29 HydrophobicContact CD-CG1 4.34Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; K3-V29 HydrophobicContact CG-CG2 4.42Å; K3-E40 WeakPolarHBondContact CE-OE1 3.47Å; K3-E40 WeakPolarHBondContact CE-OE2 3.36Å; K3-E40 IonicContact NZ-OE1 2.65Å; K3-E40 PolarHBondContact NZ-OE1 2.89Å; K3-E40 IonicContact NZ-OE2 2.65Å; K3-E40 PolarHBondContact NZ-OE2 3.34Å
4	T	96.3	Very high	95.4	Very high	91 Å²	91	71.6 Å²	71.6	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-60	-43	-179.8	-51.6	0	0	0	0	112.8	E2 I7 Q8	E2-T4 PolarHBondContact O-N 2.96Å; T4-I7 PolarHBondContact O-N 3.28Å; T4-Q8 WeakPolarHBondContact O-CG 2.92Å; T4-Q8 PolarHBondContact O-N 3.13Å
5	E	97.4	Very high	95.5	Very high	90 Å²	90	77.3 Å²	77.3	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.8	-65.3	178.9	143.5	0	0	111.4	M1 E2 K3 Q8 K9	M1-E5 HydrophobicContact CG-CB 3.71Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.25Å; E2-E5 HydrophobicContact CB-CG 4.32Å; E2-E5 PolarHBondContact N-OE2 2.92Å; E2-E5 VanDerWaalsContact N-OE2 3.16Å; E2-E5 PolarHBondContact O-N 2.93Å; E2-E5 VanDerWaalsContact O-N 3.09Å; K3-E5 PolarHBondContact O-N 3.36Å; E5-Q8 PolarHBondContact O-N 3.31Å; E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.16Å
6	L	98.1	Very high	95.7	Very high	14 Å²	14	76.3 Å²	76.3	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-42.6	176.4	-71.3	166.4	0	0	0	111.6	M1 E2 K3 K9 A10 C25 A28 V29	M1-L6 HydrophobicContact CB-CD1 4.34Å; M1-L6 HydrophobicContact CB-CD2 4.13Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CG-CD2 4.13Å; M1-L6 HydrophobicContact CG-CG 3.96Å; M1-L6 HydrophobicContact SD-CD2 3.51Å; M1-L6 VanDerWaalsContact SD-CD2 3.51Å; M1-L6 HydrophobicContact SD-CG 3.91Å; E2-L6 PolarHBondContact O-N 3.45Å; E2-L6 VanDerWaalsContact O-N 3.13Å; K3-L6 PolarHBondContact O-N 3.5Å; L6-K9 PolarHBondContact O-N 3.48Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.12Å; L6-C25 HydrophobicContact CD2-CB 4.4Å; L6-A28 HydrophobicContact CD1-CB 3.87Å; L6-A28 HydrophobicContact CD2-CB 4.13Å; L6-V29 HydrophobicContact CB-CG2 3.45Å; L6-V29 VanDerWaalsContact CB-CG2 3.45Å; L6-V29 HydrophobicContact CD1-CG2 3.91Å; L6-V29 HydrophobicContact CG-CG2 4.32Å
7	I	98.3	Very high	95.8	Very high	15 Å²	15	80.3 Å²	80.3	8%	0.077	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-43	176	-67.2	-59.1	0	0	0	111.3	K3 T4 K9 A10 K11 M26 V29 E40 L43	K3-I7 WeakPolarHBondContact O-CG1 3.48Å; K3-I7 PolarHBondContact O-N 3.3Å; T4-I7 PolarHBondContact O-N 3.28Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 3.01Å; I7-A10 PolarHBondContact O-N 2.75Å; I7-K11 HydrophobicContact CG2-CD 4.32Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 3.11Å; I7-M26 HydrophobicContact CD1-CE 3.73Å; I7-M26 HydrophobicContact CD1-SD 3.56Å; I7-M26 VanDerWaalsContact CD1-SD 3.56Å; I7-V29 HydrophobicContact CD1-CB 4.43Å; I7-V29 HydrophobicContact CD1-CG1 4.09Å; I7-V29 HydrophobicContact CD1-CG2 3.86Å; I7-V29 HydrophobicContact CG1-CG2 4.16Å; I7-E40 HydrophobicContact CD1-CB 4.38Å; I7-E40 HydrophobicContact CD1-CG 3.8Å; I7-E40 HydrophobicContact CG1-CG 4.32Å; I7-L43 HydrophobicContact CD1-CD1 4.38Å; I7-L43 HydrophobicContact CG2-CD1 4.1Å
8	Q	98.1	Very high	95.9	Very high	118 Å²	118	83.9 Å²	83.9	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-61.3	-41.8	175.4	-74.8	178.1	-6.3	0	0	111.8	T4 E5 K11 L12	T4-Q8 WeakPolarHBondContact O-CG 2.92Å; T4-Q8 PolarHBondContact O-N 3.13Å; E5-Q8 PolarHBondContact O-N 3.31Å; Q8-K11 PolarHBondContact O-N 3.14Å; Q8-L12 WeakPolarHBondContact O-CG 3.33Å; Q8-L12 PolarHBondContact O-N 2.89Å
9	K	98.1	Very high	96.1	Very high	100 Å²	100	82.3 Å²	82.3	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-40.8	174.4	-74	-179	-176.3	-177	0	112.6	M1 E5 L6 I7 K11 L12 A13	M1-K9 HydrophobicContact CE-CD 4.45Å; M1-K9 HydrophobicContact SD-CD 3.76Å; M1-K9 PolarHBondContact SD-NZ 3.26Å; E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.16Å; L6-K9 PolarHBondContact O-N 3.48Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 3.01Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.62Å; K9-L12 PolarHBondContact O-N 3.45Å; K9-A13 VanDerWaalsContact O-CB 3.31Å; K9-A13 WeakPolarHBondContact O-CB 3.45Å; K9-A13 PolarHBondContact O-N 3.47Å
10	A	98.5	Very high	96.2	Very high	0 Å²	0	82.3 Å²	82.3	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-43.5	175.3	0	0	0	0	0	111.5	L6 I7 A13 E14 M22 C25 M26	L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.12Å; I7-A10 PolarHBondContact O-N 2.75Å; A10-A13 PolarHBondContact O-N 3.27Å; A10-E14 PolarHBondContact O-N 3.17Å; A10-M22 HydrophobicContact CB-CG 4.07Å; A10-C25 HydrophobicContact CB-CB 4.01Å; A10-M26 HydrophobicContact CB-CG 3.98Å; A10-M26 HydrophobicContact CB-SD 3.67Å
11	K	98.4	Very high	96.3	Very high	63 Å²	63	81.1 Å²	81.1	27%	0.274	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-39.2	175.9	-69.7	178.6	-179.6	-173.3	0	112.9	I7 Q8 K9 Q15 E39 L43	I7-K11 HydrophobicContact CG2-CD 4.32Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 3.11Å; Q8-K11 PolarHBondContact O-N 3.14Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.62Å; K11-Q15 WeakPolarHBondContact O-CG 3.34Å; K11-Q15 PolarHBondContact O-N 3.41Å; K11-E39 WeakPolarHBondContact CE-OE1 3.31Å; K11-E39 IonicContact NZ-OE1 3.09Å; K11-E39 PolarHBondContact NZ-OE1 3.05Å; K11-E39 IonicContact NZ-OE2 2.69Å; K11-E39 PolarHBondContact NZ-OE2 3.12Å; K11-L43 HydrophobicContact CG-CD1 4.06Å; K11-L43 HydrophobicContact CG-CD2 4.12Å
12	L	98.5	Very high	97.6	Very high	113 Å²	113	75.1 Å²	75.1	59%	0.592	37%	0.366	S	S	*	.	H	α-helix	trans	-66.6	-40.8	173.7	-71.9	170.9	0	0	0	111.7	Q8 K9 Q15 A16	Q8-L12 WeakPolarHBondContact O-CG 3.33Å; Q8-L12 PolarHBondContact O-N 2.89Å; K9-L12 PolarHBondContact O-N 3.45Å; L12-Q15 PolarHBondContact O-N 2.87Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.29Å; L12-A16 VanDerWaalsContact O-N 3.13Å
13	A	98.5	Very high	98	Very high	9 Å²	9	68.8 Å²	68.8	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-39.5	176.8	0	0	0	0	0	111.7	K9 A10 A16 E17 R18 D21 M22	K9-A13 VanDerWaalsContact O-CB 3.31Å; K9-A13 WeakPolarHBondContact O-CB 3.45Å; K9-A13 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 3.27Å; A13-A16 CarbonylContact O-C 3.42Å; A13-A16 PolarHBondContact O-N 2.9Å; A13-E17 PolarHBondContact O-N 3.42Å; A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.86Å; A13-D21 HydrophobicContact CB-CB 3.98Å; A13-M22 HydrophobicContact CB-CB 4.01Å
14	E	98.2	Very high	98.1	Very high	70 Å²	70	71 Å²	71	33%	0.327	36%	0.356	S	S	.	.	H	α-helix	trans	-58.4	-49.4	173.5	-177.9	-179.8	-153.8	0	0	111.7	A10 A16 E17 M22 L43	A10-E14 PolarHBondContact O-N 3.17Å; E14-A16 PolarHBondContact O-N 2.92Å; E14-E17 PolarHBondContact O-N 3.04Å; E14-M22 HydrophobicContact CB-CE 3.97Å; E14-M22 HydrophobicContact CB-SD 3.96Å; E14-M22 HydrophobicContact CG-CE 4.21Å; E14-M22 HydrophobicContact CG-SD 4.4Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.36Å
15	Q	97.8	Very high	98.2	Very high	157 Å²	157	67.5 Å²	67.5	73%	0.734	34%	0.335	S	S	*	.	H	α-helix	trans	-62.9	-26.4	177.9	-70.7	175.1	46	0	0	113.3	K11 L12	K11-Q15 WeakPolarHBondContact O-CG 3.34Å; K11-Q15 PolarHBondContact O-N 3.41Å; L12-Q15 PolarHBondContact O-N 2.87Å
16	A	98	Very high	98.3	Very high	61 Å²	61	63.2 Å²	63.2	50%	0.504	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.5	176.2	0	0	0	0	0	113.2	L12 A13 E14 R18	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.29Å; L12-A16 VanDerWaalsContact O-N 3.13Å; A13-A16 CarbonylContact O-C 3.42Å; A13-A16 PolarHBondContact O-N 2.9Å; E14-A16 PolarHBondContact O-N 2.92Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 WeakPolarHBondContact O-CG 3.5Å; A16-R18 PolarHBondContact O-N 2.69Å; A16-R18 VanDerWaalsContact O-N 3.08Å
17	E	97.7	Very high	98.3	Very high	145 Å²	145	65.9 Å²	65.9	68%	0.678	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	26.3	-175.9	-56.9	-175.8	165	0	0	113.8	A13 E14 Y19	A13-E17 PolarHBondContact O-N 3.42Å; E14-E17 PolarHBondContact O-N 3.04Å; E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.96Å; E17-Y19 WeakPolarHBondContact O-CD2 3.35Å; E17-Y19 PolarHBondContact O-N 3.22Å; E17-Y19 VanDerWaalsContact O-N 3.17Å
18	R	98.3	Very high	98.3	Very high	146 Å²	146	67 Å²	67	55%	0.551	34%	0.337	S	S	*	.			trans	-90	66.9	177.6	-65.9	-160.8	64.4	-174.5	-12.4	110.8	A13 A16 D20 D21 M22	A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.86Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 WeakPolarHBondContact O-CG 3.5Å; A16-R18 PolarHBondContact O-N 2.69Å; A16-R18 VanDerWaalsContact O-N 3.08Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.31Å; R18-D21 HydrophobicContact CB-CB 4.18Å; R18-D21 IonicContact CZ-OD1 3.77Å; R18-D21 IonicContact CZ-OD2 3.06Å; R18-D21 IonicContact NE-OD1 3.08Å; R18-D21 IonicContact NE-OD2 2.8Å; R18-D21 PolarHBondContact NE-OD2 3Å; R18-D21 IonicContact NH1-OD2 3.57Å; R18-D21 PolarHBondContact NH1-OD2 2.84Å; R18-D21 VanDerWaalsContact NH2-CG 3.28Å; R18-D21 IonicContact NH2-OD1 3.38Å; R18-D21 PolarHBondContact NH2-OD1 3.26Å; R18-D21 IonicContact NH2-OD2 2.88Å; R18-D21 PolarHBondContact NH2-OD2 2.85Å; R18-D21 WeakPolarHBondContact O-CB 3.42Å; R18-D21 PolarHBondContact O-N 3.3Å; R18-D21 VanDerWaalsContact O-N 3.09Å; R18-M22 PolarHBondContact O-N 3.12Å
19	Y	98.4	Very high	98.3	Very high	53 Å²	53	61.4 Å²	61.4	21%	0.208	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-26.9	-172.1	-56.6	-68.1	0	0	0	114.6	E17 M22 A23 V46 N50 V51	E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.96Å; E17-Y19 WeakPolarHBondContact O-CD2 3.35Å; E17-Y19 PolarHBondContact O-N 3.22Å; E17-Y19 VanDerWaalsContact O-N 3.17Å; Y19-M22 HydrophobicContact CD1-SD 4.07Å; Y19-M22 WeakPolarHBondContact O-CB 3.44Å; Y19-M22 PolarHBondContact O-N 3.21Å; Y19-A23 WeakPolarHBondContact O-CB 3.15Å; Y19-A23 PolarHBondContact O-N 2.96Å; Y19-V46 HydrophobicContact CE1-CG1 4.24Å; Y19-N50 HydrophobicContact CD1-CB 3.67Å; Y19-N50 HydrophobicContact CD2-CB 3.36Å; Y19-N50 HydrophobicContact CE1-CB 4.02Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.49Å; Y19-N50 HydrophobicContact CE2-CB 3.71Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.34Å
20	D	98.1	Very high	98.3	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-38.8	172.8	-63.8	-78.7	0	0	0	111.7	R18 A23 T24 R55	R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.31Å; D20-A23 PolarHBondContact O-N 3.31Å; D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.38Å; D20-R55 IonicContact OD1-NH1 3.36Å; D20-R55 PolarHBondContact OD1-NH1 3.01Å; D20-R55 IonicContact OD2-NH1 3.76Å
21	D	98.3	Very high	98.3	Very high	59 Å²	59	60.8 Å²	60.8	32%	0.316	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-41.5	174.2	-65.1	10.8	0	0	0	110.2	A13 R18 T24 C25	A13-D21 HydrophobicContact CB-CB 3.98Å; R18-D21 HydrophobicContact CB-CB 4.18Å; R18-D21 IonicContact CZ-OD1 3.77Å; R18-D21 IonicContact CZ-OD2 3.06Å; R18-D21 IonicContact NE-OD1 3.08Å; R18-D21 IonicContact NE-OD2 2.8Å; R18-D21 PolarHBondContact NE-OD2 3Å; R18-D21 IonicContact NH1-OD2 3.57Å; R18-D21 PolarHBondContact NH1-OD2 2.84Å; R18-D21 VanDerWaalsContact NH2-CG 3.28Å; R18-D21 IonicContact NH2-OD1 3.38Å; R18-D21 PolarHBondContact NH2-OD1 3.26Å; R18-D21 IonicContact NH2-OD2 2.88Å; R18-D21 PolarHBondContact NH2-OD2 2.85Å; R18-D21 WeakPolarHBondContact O-CB 3.42Å; R18-D21 PolarHBondContact O-N 3.3Å; R18-D21 VanDerWaalsContact O-N 3.09Å; D21-T24 PolarHBondContact O-N 3.39Å; D21-C25 PolarHBondContact O-N 3.11Å; D21-C25 PolarHBondContact O-SG 3.39Å
22	M	98.3	Very high	98.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-46.7	175.4	-164.2	-169.6	-179.4	0	0	110.9	A10 A13 E14 R18 Y19 T24 C25 M26 L43 V46 A47	A10-M22 HydrophobicContact CB-CG 4.07Å; A13-M22 HydrophobicContact CB-CB 4.01Å; E14-M22 HydrophobicContact CB-CE 3.97Å; E14-M22 HydrophobicContact CB-SD 3.96Å; E14-M22 HydrophobicContact CG-CE 4.21Å; E14-M22 HydrophobicContact CG-SD 4.4Å; R18-M22 PolarHBondContact O-N 3.12Å; Y19-M22 HydrophobicContact CD1-SD 4.07Å; Y19-M22 WeakPolarHBondContact O-CB 3.44Å; Y19-M22 PolarHBondContact O-N 3.21Å; M22-T24 VanDerWaalsContact C-N 3.34Å; M22-T24 PolarHBondContact O-N 3.31Å; M22-C25 PolarHBondContact O-N 3.23Å; M22-M26 WeakPolarHBondContact O-CB 3.11Å; M22-M26 VanDerWaalsContact O-CG 3.32Å; M22-M26 WeakPolarHBondContact O-CG 3.5Å; M22-M26 PolarHBondContact O-N 3.03Å; M22-L43 HydrophobicContact CE-CB 3.85Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.27Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.11Å; M22-V46 HydrophobicContact CE-CG1 4.07Å; M22-V46 HydrophobicContact SD-CG1 4.21Å; 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 3.56Å; M22-A47 HydrophobicContact SD-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CB 3.57Å
23	A	98.6	Very high	98	Very high	7 Å²	7	58.3 Å²	58.3	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-40.6	178.2	0	0	0	0	0	111.5	Y19 D20 M26 K27 A47 Y48 V51	Y19-A23 WeakPolarHBondContact O-CB 3.15Å; Y19-A23 PolarHBondContact O-N 2.96Å; D20-A23 PolarHBondContact O-N 3.31Å; A23-M26 PolarHBondContact O-N 3.24Å; A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.96Å; A23-A47 HydrophobicContact CB-CB 4.2Å; A23-Y48 HydrophobicContact CB-CD1 4.09Å; A23-Y48 HydrophobicContact CB-CD2 4.49Å; A23-Y48 HydrophobicContact CB-CE1 3.87Å; A23-Y48 HydrophobicContact CB-CE2 4.27Å; A23-Y48 HydrophobicContact CB-CG 4.4Å; A23-V51 HydrophobicContact CB-CG2 4.22Å
24	T	98.5	Very high	97.9	Very high	100 Å²	100	60.4 Å²	60.4	61%	0.613	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-45.5	175.4	-58.9	0	0	0	0	111.6	D20 D21 M22 A28	D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.38Å; D21-T24 PolarHBondContact O-N 3.39Å; M22-T24 VanDerWaalsContact C-N 3.34Å; M22-T24 PolarHBondContact O-N 3.31Å; T24-A28 PolarHBondContact O-N 3.07Å
25	C	98.5	Very high	97.8	Very high	17 Å²	17	60 Å²	60	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-47.1	177.8	-65.2	0	0	0	0	111.6	L6 A10 D21 M22 K27 A28 V29	L6-C25 HydrophobicContact CD2-CB 4.4Å; A10-C25 HydrophobicContact CB-CB 4.01Å; D21-C25 PolarHBondContact O-N 3.11Å; D21-C25 PolarHBondContact O-SG 3.39Å; M22-C25 PolarHBondContact O-N 3.23Å; C25-K27 VanDerWaalsContact C-N 3.35Å; C25-K27 PolarHBondContact O-N 3.08Å; C25-A28 PolarHBondContact O-N 2.82Å; C25-V29 WeakPolarHBondContact O-CG2 3.19Å; C25-V29 PolarHBondContact O-N 2.99Å
26	M	98.6	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-30.1	-177.4	-67.7	-51	-53.4	0	0	113	I7 A10 M22 A23 V29 T30 E40 L43 L44	I7-M26 HydrophobicContact CD1-CE 3.73Å; I7-M26 HydrophobicContact CD1-SD 3.56Å; I7-M26 VanDerWaalsContact CD1-SD 3.56Å; A10-M26 HydrophobicContact CB-CG 3.98Å; A10-M26 HydrophobicContact CB-SD 3.67Å; M22-M26 WeakPolarHBondContact O-CB 3.11Å; M22-M26 VanDerWaalsContact O-CG 3.32Å; M22-M26 WeakPolarHBondContact O-CG 3.5Å; M22-M26 PolarHBondContact O-N 3.03Å; A23-M26 PolarHBondContact O-N 3.24Å; M26-V29 HydrophobicContact CE-CB 4.42Å; M26-V29 HydrophobicContact CE-CG1 4.44Å; M26-V29 PolarHBondContact O-N 3.13Å; M26-T30 WeakPolarHBondContact O-CB 3.32Å; M26-T30 PolarHBondContact O-N 3.33Å; M26-T30 PolarHBondContact O-OG1 3.45Å; M26-E40 HydrophobicContact CE-CB 4.36Å; M26-E40 WeakPolarHBondContact CE-O 3.45Å; M26-L43 HydrophobicContact CE-CB 4.04Å; M26-L43 HydrophobicContact CG-CB 4.27Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.4Å; M26-L44 HydrophobicContact CB-CB 4.3Å; M26-L44 HydrophobicContact CB-CD1 3.67Å; M26-L44 HydrophobicContact CE-CB 4.11Å
27	K	98.5	Very high	97.7	Very high	69 Å²	69	52.6 Å²	52.6	30%	0.3	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-52.1	167.4	178.9	169.2	-179.3	178.9	0	110.8	A23 C25 V29 T30 E31 T96 L100	A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.96Å; C25-K27 VanDerWaalsContact C-N 3.35Å; C25-K27 PolarHBondContact O-N 3.08Å; K27-V29 PolarHBondContact O-N 3.25Å; K27-T30 PolarHBondContact O-N 3.18Å; K27-T30 VanDerWaalsContact O-N 3.07Å; K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 HydrophobicContact CG-CG 4.36Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 3.23Å; K27-T96 HydrophobicContact CD-CG2 3.94Å; K27-L100 HydrophobicContact CB-CD1 4.26Å; K27-L100 HydrophobicContact CG-CD1 4.09Å; K27-L100 HydrophobicContact CG-CD2 4.19Å
28	A	98.3	Very high	97.5	Very high	38 Å²	38	49.5 Å²	49.5	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-27.8	179.8	0	0	0	0	0	113.3	L6 T24 C25 Q32	L6-A28 HydrophobicContact CD1-CB 3.87Å; L6-A28 HydrophobicContact CD2-CB 4.13Å; T24-A28 PolarHBondContact O-N 3.07Å; C25-A28 PolarHBondContact O-N 2.82Å; A28-Q32 WeakPolarHBondContact O-CG 3.37Å; A28-Q32 PolarHBondContact O-NE2 3.06Å
29	V	98.4	Very high	97.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-71	-46.9	170.4	171.1	0	0	0	0	111.1	K3 L6 I7 C25 M26 K27 E31 Q32 L36	K3-V29 HydrophobicContact CD-CG1 4.34Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; K3-V29 HydrophobicContact CG-CG2 4.42Å; L6-V29 HydrophobicContact CB-CG2 3.45Å; L6-V29 VanDerWaalsContact CB-CG2 3.45Å; L6-V29 HydrophobicContact CD1-CG2 3.91Å; L6-V29 HydrophobicContact CG-CG2 4.32Å; I7-V29 HydrophobicContact CD1-CB 4.43Å; I7-V29 HydrophobicContact CD1-CG1 4.09Å; I7-V29 HydrophobicContact CD1-CG2 3.86Å; I7-V29 HydrophobicContact CG1-CG2 4.16Å; C25-V29 WeakPolarHBondContact O-CG2 3.19Å; C25-V29 PolarHBondContact O-N 2.99Å; M26-V29 HydrophobicContact CE-CB 4.42Å; M26-V29 HydrophobicContact CE-CG1 4.44Å; M26-V29 PolarHBondContact O-N 3.13Å; K27-V29 PolarHBondContact O-N 3.25Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 3.02Å; V29-Q32 WeakPolarHBondContact O-CB 3.34Å; V29-Q32 PolarHBondContact O-N 3.49Å; V29-L36 HydrophobicContact CG1-CD2 3.83Å
30	T	98.3	Very high	97.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-40.6	-177.7	-57.9	0	0	0	0	111.9	M26 K27 Q32 G33 L100 Y104 L105	M26-T30 WeakPolarHBondContact O-CB 3.32Å; M26-T30 PolarHBondContact O-N 3.33Å; M26-T30 PolarHBondContact O-OG1 3.45Å; K27-T30 PolarHBondContact O-N 3.18Å; K27-T30 VanDerWaalsContact O-N 3.07Å; T30-Q32 PolarHBondContact O-N 3.4Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; T30-G33 PolarHBondContact O-N 3.34Å; T30-L100 HydrophobicContact CG2-CB 4.23Å; T30-L100 HydrophobicContact CG2-CD2 3.99Å; T30-Y104 HydrophobicContact CG2-CD2 4.49Å; T30-Y104 HydrophobicContact CG2-CG 4.33Å; T30-L105 HydrophobicContact CG2-CD1 4.11Å; T30-L105 HydrophobicContact CG2-CD2 3.66Å; T30-L105 HydrophobicContact CG2-CG 3.78Å
31	E	97.8	Very high	97.4	Very high	85 Å²	85	43 Å²	43	40%	0.397	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.1	179.8	-70.2	175.2	155.8	0	0	113.8	K27 V29 G33 L100 Y104	K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 HydrophobicContact CG-CG 4.36Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 3.23Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 3.02Å; E31-G33 PolarHBondContact O-N 2.9Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; E31-Y104 HydrophobicContact CB-CE2 4.5Å; E31-Y104 HydrophobicContact CG-CD2 4.49Å; E31-Y104 HydrophobicContact CG-CE2 3.9Å
32	Q	96.5	Very high	97.3	Very high	95 Å²	95	43.8 Å²	43.8	44%	0.444	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.4	169.5	-63.8	176.2	35.1	0	0	112.6	A28 V29 T30 A34	A28-Q32 WeakPolarHBondContact O-CG 3.37Å; A28-Q32 PolarHBondContact O-NE2 3.06Å; V29-Q32 WeakPolarHBondContact O-CB 3.34Å; V29-Q32 PolarHBondContact O-N 3.49Å; T30-Q32 PolarHBondContact O-N 3.4Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.92Å
33	G	95	Very high	97.3	Very high	29 Å²	29	44.3 Å²	44.3	30%	0.299	25%	0.25	S	S	.	.			trans	79.7	-0.3	170	0	0	0	0	0	116.3	T30 E31 N108	T30-G33 PolarHBondContact O-N 3.34Å; E31-G33 PolarHBondContact O-N 2.9Å; G33-N108 PolarHBondContact O-ND2 3.09Å
34	A	94.8	Very high	97.3	Very high	53 Å²	53	44.1 Å²	44.1	44%	0.438	25%	0.248	S	C	.	.	S	Bend	trans	-77.2	143.8	169.9	0	0	0	0	0	110.8	Q32 L36	Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.92Å; A34-L36 PolarHBondContact O-N 2.65Å
35	E	96.2	Very high	97.3	Very high	63 Å²	63	40.9 Å²	40.9	29%	0.294	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-57.6	133.1	172.2	-171	170.3	-159.1	0	0	109.9	T110 N111	E35-T110 VanDerWaalsContact CD-OG1 3.27Å; E35-T110 PolarHBondContact OE1-N 3.29Å; E35-T110 PolarHBondContact OE1-OG1 2.87Å; E35-T110 VanDerWaalsContact OE1-OG1 3.08Å; E35-T110 WeakPolarHBondContact OE2-CB 3.49Å; E35-T110 VanDerWaalsContact OE2-CG2 3.24Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.49Å; E35-T110 PolarHBondContact OE2-OG1 3.32Å; E35-N111 PolarHBondContact OE1-ND2 2.97Å
36	L	97.6	Very high	97.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-77.2	141	-179.9	-60.6	-172	0	0	0	110.4	V29 A34 E40 R41 L44 L105	V29-L36 HydrophobicContact CG1-CD2 3.83Å; A34-L36 PolarHBondContact O-N 2.65Å; L36-E40 WeakPolarHBondContact CA-OE2 3.42Å; L36-E40 HydrophobicContact CB-CB 3.93Å; L36-E40 HydrophobicContact CD2-CB 4.22Å; L36-E40 HydrophobicContact CG-CB 4.45Å; L36-R41 HydrophobicContact CB-CB 4.38Å; L36-L44 HydrophobicContact CD1-CB 4.46Å; L36-L44 HydrophobicContact CD1-CD2 4.07Å; L36-L105 HydrophobicContact CD1-CD2 3.61Å; L36-L105 HydrophobicContact CG-CD2 3.87Å
37	S	96.5	Very high	97.3	Very high	53 Å²	53	42.2 Å²	42.2	37%	0.371	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-66.7	165.6	166.6	77.4	0	0	0	0	111.1	E39 E40 R41	S37-E39 PolarHBondContact O-N 3.24Å; S37-E39 PolarHBondContact OG-N 3Å; S37-E40 PolarHBondContact N-OE2 2.73Å; S37-E40 PolarHBondContact O-N 3.28Å; S37-E40 VanDerWaalsContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.29Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.06Å; S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.36Å; S37-R41 PolarHBondContact O-N 3.09Å
38	N	94.4	Very high	97.3	Very high	81 Å²	81	39.5 Å²	39.5	43%	0.433	23%	0.225	S	C	.	.	H	α-helix	trans	-56.8	-38	175.9	-74.1	-5	0	0	0	112.5	R41 N42	N38-R41 PolarHBondContact OD1-NH1 3.05Å; N38-N42 WeakPolarHBondContact O-CB 3.43Å; N38-N42 PolarHBondContact O-N 2.85Å; N38-N42 PolarHBondContact O-ND2 2.83Å; N38-N42 PolarHBondContact O-OD1 3.17Å
39	E	96.2	Very high	97.3	Very high	107 Å²	107	44.2 Å²	44.2	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-47.3	176	-173.4	-178.5	-150.8	0	0	111.2	K11 S37 R41 N42 L43	K11-E39 WeakPolarHBondContact CE-OE1 3.31Å; K11-E39 IonicContact NZ-OE1 3.09Å; K11-E39 PolarHBondContact NZ-OE1 3.05Å; K11-E39 IonicContact NZ-OE2 2.69Å; K11-E39 PolarHBondContact NZ-OE2 3.12Å; S37-E39 PolarHBondContact O-N 3.24Å; S37-E39 PolarHBondContact OG-N 3Å; E39-R41 PolarHBondContact O-N 3.46Å; E39-N42 PolarHBondContact O-N 3.31Å; E39-L43 HydrophobicContact CG-CD1 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.28Å; E39-L43 PolarHBondContact O-N 3.36Å
40	E	97.9	Very high	97.3	Very high	27 Å²	27	47 Å²	47	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-41.2	-179.5	-65.7	168.4	167.6	0	0	111.8	K3 I7 M26 L36 S37 N42 L43 L44	K3-E40 WeakPolarHBondContact CE-OE1 3.47Å; K3-E40 WeakPolarHBondContact CE-OE2 3.36Å; K3-E40 IonicContact NZ-OE1 2.65Å; K3-E40 PolarHBondContact NZ-OE1 2.89Å; K3-E40 IonicContact NZ-OE2 2.65Å; K3-E40 PolarHBondContact NZ-OE2 3.34Å; I7-E40 HydrophobicContact CD1-CB 4.38Å; I7-E40 HydrophobicContact CD1-CG 3.8Å; I7-E40 HydrophobicContact CG1-CG 4.32Å; M26-E40 HydrophobicContact CE-CB 4.36Å; M26-E40 WeakPolarHBondContact CE-O 3.45Å; L36-E40 WeakPolarHBondContact CA-OE2 3.42Å; L36-E40 HydrophobicContact CB-CB 3.93Å; L36-E40 HydrophobicContact CD2-CB 4.22Å; L36-E40 HydrophobicContact CG-CB 4.45Å; S37-E40 PolarHBondContact N-OE2 2.73Å; S37-E40 PolarHBondContact O-N 3.28Å; S37-E40 VanDerWaalsContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.29Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.06Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.05Å; E40-L43 PolarHBondContact O-N 3.15Å; E40-L44 PolarHBondContact O-N 3.49Å
41	R	97.5	Very high	97.3	Very high	9 Å²	9	47.2 Å²	47.2	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-44.4	173.2	178.4	-174.4	78.3	-171.8	0.5	111.4	L36 S37 N38 E39 L44 S45 E113 S114 F117 Y118	L36-R41 HydrophobicContact CB-CB 4.38Å; S37-R41 VanDerWaalsContact O-CB 3.28Å; S37-R41 WeakPolarHBondContact O-CB 3.36Å; S37-R41 PolarHBondContact O-N 3.09Å; N38-R41 PolarHBondContact OD1-NH1 3.05Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3.45Å; R41-S45 PolarHBondContact O-N 3.49Å; R41-E113 IonicContact CZ-OE1 3.77Å; R41-E113 IonicContact NH1-OE1 3.86Å; R41-E113 PolarHBondContact NH1-OE1 3.4Å; R41-E113 IonicContact NH2-OE1 3.9Å; R41-E113 PolarHBondContact NH2-OE1 3.48Å; R41-S114 PolarHBondContact NH1-OG 2.93Å; R41-F117 VanDerWaalsContact CD-CD1 3.42Å; R41-F117 HydrophobicContact CG-CD1 3.56Å; R41-F117 HydrophobicContact CG-CE1 3.36Å; R41-F117 HydrophobicContact CG-CE2 4.38Å; R41-F117 HydrophobicContact CG-CG 4.17Å; R41-F117 HydrophobicContact CG-CZ 3.81Å; R41-Y118 HydrophobicContact CG-CE1 3.66Å
42	N	96.6	Very high	97.3	Very high	76 Å²	76	43.3 Å²	43.3	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-42.2	178.2	-72.1	-11.8	0	0	0	111.4	N38 E39 E40 L44 S45 V46	N38-N42 WeakPolarHBondContact O-CB 3.43Å; N38-N42 PolarHBondContact O-N 2.85Å; N38-N42 PolarHBondContact O-ND2 2.83Å; N38-N42 PolarHBondContact O-OD1 3.17Å; E39-N42 PolarHBondContact O-N 3.31Å; E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 3.05Å; N42-L44 PolarHBondContact O-N 2.91Å; N42-S45 WeakPolarHBondContact O-CB 3.38Å; N42-S45 PolarHBondContact O-N 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 3.26Å
43	L	98.3	Very high	97.3	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-46.9	174.2	-71.4	169.9	0	0	0	111.6	I7 K11 E14 M22 M26 E39 E40 S45 V46 A47	I7-L43 HydrophobicContact CD1-CD1 4.38Å; I7-L43 HydrophobicContact CG2-CD1 4.1Å; K11-L43 HydrophobicContact CG-CD1 4.06Å; K11-L43 HydrophobicContact CG-CD2 4.12Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.36Å; M22-L43 HydrophobicContact CE-CB 3.85Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.27Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.04Å; M26-L43 HydrophobicContact CG-CB 4.27Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.4Å; E39-L43 HydrophobicContact CG-CD1 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.28Å; E39-L43 PolarHBondContact O-N 3.36Å; E40-L43 PolarHBondContact O-N 3.15Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.49Å; L43-V46 PolarHBondContact O-N 3.3Å; L43-A47 WeakPolarHBondContact O-CB 3.31Å; L43-A47 PolarHBondContact O-N 3Å
44	L	98.6	Very high	97.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-45.2	175.8	179.4	74.5	0	0	0	111.4	M26 L36 E40 R41 N42 A47 Y48 L105	M26-L44 HydrophobicContact CB-CB 4.3Å; M26-L44 HydrophobicContact CB-CD1 3.67Å; M26-L44 HydrophobicContact CE-CB 4.11Å; L36-L44 HydrophobicContact CD1-CB 4.46Å; L36-L44 HydrophobicContact CD1-CD2 4.07Å; E40-L44 PolarHBondContact O-N 3.49Å; R41-L44 PolarHBondContact O-N 3.45Å; N42-L44 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 2.89Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.22Å; L44-Y48 PolarHBondContact O-N 3.48Å; L44-L105 HydrophobicContact CD2-CD1 3.43Å; L44-L105 VanDerWaalsContact CD2-CD1 3.43Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å
45	S	98.2	Very high	97.6	Very high	32 Å²	32	41.3 Å²	41.3	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-48.7	179.8	-169.7	0	0	0	0	112	R41 N42 L43 A47 K49	R41-S45 PolarHBondContact O-N 3.49Å; N42-S45 WeakPolarHBondContact O-CB 3.38Å; N42-S45 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.49Å; S45-A47 VanDerWaalsContact C-N 3.35Å; S45-A47 PolarHBondContact O-N 2.86Å; S45-K49 WeakPolarHBondContact O-CB 3.39Å; S45-K49 PolarHBondContact O-N 3.36Å
46	V	98.3	Very high	97.7	Very high	45 Å²	45	40 Å²	40	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-44.4	177.9	169.2	0	0	0	0	111.1	Y19 M22 N42 L43 N50	Y19-V46 HydrophobicContact CE1-CG1 4.24Å; M22-V46 HydrophobicContact CE-CB 4.11Å; M22-V46 HydrophobicContact CE-CG1 4.07Å; M22-V46 HydrophobicContact SD-CG1 4.21Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 3.26Å; L43-V46 PolarHBondContact O-N 3.3Å; V46-N50 PolarHBondContact O-N 3.38Å; V46-N50 PolarHBondContact O-ND2 2.87Å
47	A	98.6	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-60.4	179.3	0	0	0	0	0	111.3	M22 A23 L43 L44 S45 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 3.56Å; M22-A47 HydrophobicContact SD-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CB 3.57Å; A23-A47 HydrophobicContact CB-CB 4.2Å; L43-A47 WeakPolarHBondContact O-CB 3.31Å; L43-A47 PolarHBondContact O-N 3Å; L44-A47 PolarHBondContact O-N 2.89Å; S45-A47 VanDerWaalsContact C-N 3.35Å; S45-A47 PolarHBondContact O-N 2.86Å; A47-N50 PolarHBondContact O-N 3.24Å; A47-V51 WeakPolarHBondContact O-CG2 3.32Å; A47-V51 PolarHBondContact O-N 3.24Å; A47-V51 VanDerWaalsContact O-N 3.15Å
48	Y	98.7	Very high	97.8	Very high	13 Å²	13	42.5 Å²	42.5	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-73.4	-31.9	-174.2	-77.8	-73.7	0	0	0	112.9	A23 L44 N50 V51 V52 I93 T96 V97 L100 Y125	A23-Y48 HydrophobicContact CB-CD1 4.09Å; A23-Y48 HydrophobicContact CB-CD2 4.49Å; A23-Y48 HydrophobicContact CB-CE1 3.87Å; A23-Y48 HydrophobicContact CB-CE2 4.27Å; A23-Y48 HydrophobicContact CB-CG 4.4Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.22Å; L44-Y48 PolarHBondContact O-N 3.48Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.44Å; Y48-V51 PolarHBondContact O-N 3.39Å; Y48-V52 WeakPolarHBondContact O-CB 3.42Å; Y48-V52 VanDerWaalsContact O-CG1 3.26Å; Y48-V52 WeakPolarHBondContact O-CG1 3.38Å; Y48-V52 PolarHBondContact O-N 2.98Å; Y48-I93 HydrophobicContact CD1-CG2 4.15Å; Y48-T96 HydrophobicContact CE1-CG2 4.47Å; Y48-V97 HydrophobicContact CD1-CG2 3.26Å; Y48-V97 HydrophobicContact CD2-CG2 3.89Å; Y48-V97 HydrophobicContact CE1-CG2 3.59Å; Y48-V97 HydrophobicContact CE2-CG2 4.17Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; Y48-L100 HydrophobicContact CE2-CD1 3.97Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.44Å; Y48-Y125 PolarHBondContact O-OH 3.03Å
49	K	98	Very high	98	Very high	136 Å²	136	40.6 Å²	40.6	59%	0.591	23%	0.226	S	C	*	.	H	α-helix	trans	-57.5	-43.8	174.1	178.5	-177.7	174.8	-174.9	0	111.5	S45 G53 Y125	S45-K49 WeakPolarHBondContact O-CB 3.39Å; S45-K49 PolarHBondContact O-N 3.36Å; K49-G53 WeakPolarHBondContact O-CA 3.41Å; K49-G53 PolarHBondContact O-N 2.84Å; K49-Y125 PolarHBondContact N-OH 3Å
50	N	98.2	Very high	98	Very high	60 Å²	60	40.3 Å²	40.3	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-73.1	-42.6	179.4	-77.5	-71.4	0	0	0	112.1	Y19 V46 A47 Y48 V52 G53 G54	Y19-N50 HydrophobicContact CD1-CB 3.67Å; Y19-N50 HydrophobicContact CD2-CB 3.36Å; Y19-N50 HydrophobicContact CE1-CB 4.02Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.49Å; Y19-N50 HydrophobicContact CE2-CB 3.71Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; V46-N50 PolarHBondContact O-N 3.38Å; V46-N50 PolarHBondContact O-ND2 2.87Å; A47-N50 PolarHBondContact O-N 3.24Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.44Å; N50-V52 PolarHBondContact O-N 3.27Å; N50-G53 PolarHBondContact O-N 3.4Å; N50-G54 PolarHBondContact O-N 3.2Å
51	V	98.3	Very high	98	Very high	7 Å²	7	43 Å²	43	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-49.1	177.3	172.3	0	0	0	0	111.4	Y19 A23 A47 Y48 R55 I93	Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.34Å; A23-V51 HydrophobicContact CB-CG2 4.22Å; A47-V51 WeakPolarHBondContact O-CG2 3.32Å; A47-V51 PolarHBondContact O-N 3.24Å; A47-V51 VanDerWaalsContact O-N 3.15Å; Y48-V51 PolarHBondContact O-N 3.39Å; V51-R55 WeakPolarHBondContact O-CD 3.44Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.97Å; V51-I93 HydrophobicContact CG1-CG2 4.13Å
52	V	98.3	Very high	98	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-35.2	178.4	78.2	0	0	0	0	111.8	Y48 N50 G54 R55 R56 L90 I93 Y125 Y128	Y48-V52 WeakPolarHBondContact O-CB 3.42Å; Y48-V52 VanDerWaalsContact O-CG1 3.26Å; Y48-V52 WeakPolarHBondContact O-CG1 3.38Å; Y48-V52 PolarHBondContact O-N 2.98Å; N50-V52 PolarHBondContact O-N 3.27Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.08Å; V52-R55 PolarHBondContact O-N 3.25Å; V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.43Å; V52-R56 WeakPolarHBondContact O-CG 3.46Å; V52-R56 PolarHBondContact O-N 2.85Å; V52-L90 HydrophobicContact CG2-CG 4.39Å; V52-I93 HydrophobicContact CB-CG2 4.14Å; V52-I93 HydrophobicContact CG2-CG2 4.42Å; V52-Y125 HydrophobicContact CB-CE1 4.13Å; V52-Y125 HydrophobicContact CG1-CE1 4.03Å; V52-Y125 HydrophobicContact CG2-CE1 4.28Å; V52-Y128 HydrophobicContact CG1-CD2 3.94Å; V52-Y128 HydrophobicContact CG1-CE2 3.76Å; V52-Y128 HydrophobicContact CG2-CD2 3.89Å
53	G	97.9	Very high	98	Very high	28 Å²	28	40.5 Å²	40.5	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-44.1	176.4	0	0	0	0	0	112.5	K49 N50 R55 R56 S57	K49-G53 WeakPolarHBondContact O-CA 3.41Å; K49-G53 PolarHBondContact O-N 2.84Å; N50-G53 PolarHBondContact O-N 3.4Å; G53-R55 PolarHBondContact O-N 2.94Å; G53-R56 PolarHBondContact O-N 3.29Å; G53-S57 WeakPolarHBondContact O-CB 3.5Å; G53-S57 PolarHBondContact O-N 3.47Å
54	G	97.4	Very high	97.9	Very high	42 Å²	42	42 Å²	42	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-45.1	175.1	0	0	0	0	0	112.8	N50 V52 S57 A58	N50-G54 PolarHBondContact O-N 3.2Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.08Å; G54-S57 PolarHBondContact O-N 3.41Å; G54-A58 WeakPolarHBondContact O-CB 3.43Å; G54-A58 PolarHBondContact O-N 3.13Å
55	R	98.2	Very high	97.7	Very high	65 Å²	65	45.7 Å²	45.7	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-41.3	178.4	-86.4	66.6	-175.3	-164.7	1.1	111.9	D20 V51 V52 G53 S57 A58 W59 V86 E89 L90 I93	D20-R55 IonicContact OD1-NH1 3.36Å; D20-R55 PolarHBondContact OD1-NH1 3.01Å; D20-R55 IonicContact OD2-NH1 3.76Å; V51-R55 WeakPolarHBondContact O-CD 3.44Å; V52-R55 PolarHBondContact O-N 3.25Å; G53-R55 PolarHBondContact O-N 2.94Å; R55-S57 PolarHBondContact O-N 2.88Å; R55-A58 PolarHBondContact O-N 3.23Å; R55-W59 VanDerWaalsContact O-CB 3.32Å; R55-W59 WeakPolarHBondContact O-CB 3.44Å; R55-W59 PolarHBondContact O-N 3.43Å; R55-V86 HydrophobicContact CB-CG1 4.32Å; R55-V86 HydrophobicContact CG-CG1 4.44Å; R55-V86 VanDerWaalsContact O-CG1 3.3Å; R55-V86 WeakPolarHBondContact O-CG1 3.45Å; R55-E89 HydrophobicContact CG-CB 4.04Å; R55-E89 IonicContact CZ-OE2 3.55Å; R55-E89 IonicContact NE-OE2 3.71Å; R55-E89 PolarHBondContact NE-OE2 3.03Å; R55-E89 IonicContact NH2-OE2 2.86Å; R55-L90 HydrophobicContact CB-CB 4.22Å; R55-I93 HydrophobicContact CG-CD1 3.96Å
56	R	97.9	Very high	97.5	Very high	35 Å²	35	45.9 Å²	45.9	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-41.6	175.4	-77.5	-179.8	71.3	-128.3	12.8	112.5	V52 G53 R60 L90 Y128 E131	V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.43Å; V52-R56 WeakPolarHBondContact O-CG 3.46Å; V52-R56 PolarHBondContact O-N 2.85Å; G53-R56 PolarHBondContact O-N 3.29Å; R56-R60 WeakPolarHBondContact O-CG 3.46Å; R56-R60 PolarHBondContact O-N 3.47Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.53Å; R56-Y128 VanDerWaalsContact NE-CD1 3.29Å; R56-E131 IonicContact CZ-OE1 2.85Å; R56-E131 IonicContact CZ-OE2 3.57Å; R56-E131 IonicContact NE-OE1 2.89Å; R56-E131 PolarHBondContact NE-OE1 3.13Å; R56-E131 IonicContact NE-OE2 2.67Å; R56-E131 PolarHBondContact NE-OE2 2.94Å; R56-E131 VanDerWaalsContact NH2-CD 3.3Å; R56-E131 IonicContact NH2-OE1 3.37Å; R56-E131 PolarHBondContact NH2-OE1 3.41Å; R56-E131 IonicContact NH2-OE2 3.45Å; R56-E131 PolarHBondContact NH2-OE2 3.4Å; R56-E131 VanDerWaalsContact NH2-OE2 3.08Å
57	S	98.2	Very high	97.2	Very high	74 Å²	74	51.4 Å²	51.4	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-49.1	176.2	-178	0	0	0	0	111.1	G53 G54 R55 W59 R60 V61	G53-S57 WeakPolarHBondContact O-CB 3.5Å; G53-S57 PolarHBondContact O-N 3.47Å; G54-S57 PolarHBondContact O-N 3.41Å; R55-S57 PolarHBondContact O-N 2.88Å; S57-W59 VanDerWaalsContact C-N 3.32Å; S57-W59 PolarHBondContact O-N 3.43Å; S57-R60 PolarHBondContact O-N 3.49Å; S57-V61 WeakPolarHBondContact O-CG2 3.46Å; S57-V61 PolarHBondContact O-N 3.16Å; S57-V61 VanDerWaalsContact O-N 3.11Å
58	A	98.2	Very high	96.9	Very high	40 Å²	40	58.8 Å²	58.8	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-57	-46.7	176.1	0	0	0	0	0	111.5	G54 R55 V61 I62 V86	G54-A58 WeakPolarHBondContact O-CB 3.43Å; G54-A58 PolarHBondContact O-N 3.13Å; R55-A58 PolarHBondContact O-N 3.23Å; A58-V61 PolarHBondContact O-N 2.99Å; A58-I62 VanDerWaalsContact O-CD1 3.31Å; A58-I62 WeakPolarHBondContact O-CD1 3.37Å; A58-I62 WeakPolarHBondContact O-CG1 3.3Å; A58-I62 PolarHBondContact O-N 3.19Å; A58-V86 HydrophobicContact CB-CG1 4.2Å
59	W	98	Very high	96.4	Very high	42 Å²	42	59.1 Å²	59.1	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-49.8	178.1	179.4	79.4	0	0	0	112.2	R55 S57 V61 I62 S63 V86 E87 E131 V132	R55-W59 VanDerWaalsContact O-CB 3.32Å; R55-W59 WeakPolarHBondContact O-CB 3.44Å; R55-W59 PolarHBondContact O-N 3.43Å; S57-W59 VanDerWaalsContact C-N 3.32Å; S57-W59 PolarHBondContact O-N 3.43Å; W59-V61 VanDerWaalsContact C-N 3.3Å; W59-V61 PolarHBondContact O-N 3.44Å; W59-I62 PolarHBondContact O-N 3.28Å; W59-S63 PolarHBondContact NE1-OG 3.4Å; W59-S63 WeakPolarHBondContact O-CB 3.25Å; W59-S63 PolarHBondContact O-N 2.84Å; W59-S63 PolarHBondContact O-OG 2.93Å; W59-S63 VanDerWaalsContact O-OG 3.05Å; W59-V86 HydrophobicContact CB-CG1 3.86Å; W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.35Å; W59-E131 VanDerWaalsContact CH2-O 3.28Å; W59-E131 WeakPolarHBondContact CH2-O 3.49Å; W59-V132 HydrophobicContact CD2-CG1 3.83Å; W59-V132 HydrophobicContact CE3-CG1 4.29Å; W59-V132 HydrophobicContact CG-CG1 4.19Å; W59-V132 HydrophobicContact CH2-CG1 4.38Å; W59-V132 HydrophobicContact CZ2-CB 4.49Å; W59-V132 HydrophobicContact CZ2-CG1 3.94Å
60	R	97.2	Very high	95.6	Very high	100 Å²	100	60.4 Å²	60.4	38%	0.377	33%	0.326	S	S	.	.	H	α-helix	trans	-56.3	-43.8	177.8	-76.4	-174.7	176.9	79.5	11.4	112.4	R56 S57 S64 E131	R56-R60 WeakPolarHBondContact O-CG 3.46Å; R56-R60 PolarHBondContact O-N 3.47Å; S57-R60 PolarHBondContact O-N 3.49Å; R60-S64 WeakPolarHBondContact O-CB 3.33Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-E131 IonicContact CZ-OE2 3.88Å; R60-E131 IonicContact NH1-OE2 2.62Å; R60-E131 IonicContact NH2-OE1 2.75Å; R60-E131 IonicContact NH2-OE2 3.06Å; R60-E131 PolarHBondContact NH2-OE2 3.38Å
61	V	98	Very high	94.6	Very high	83 Å²	83	60.3 Å²	60.3	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-48.1	178.7	172.3	0	0	0	0	110.7	S57 A58 W59 S64 I65	S57-V61 WeakPolarHBondContact O-CG2 3.46Å; S57-V61 PolarHBondContact O-N 3.16Å; S57-V61 VanDerWaalsContact O-N 3.11Å; A58-V61 PolarHBondContact O-N 2.99Å; W59-V61 VanDerWaalsContact C-N 3.3Å; W59-V61 PolarHBondContact O-N 3.44Å; V61-S64 PolarHBondContact O-N 3.13Å; V61-I65 HydrophobicContact CG1-CD1 3.91Å; V61-I65 WeakPolarHBondContact O-CG1 3.21Å; V61-I65 PolarHBondContact O-N 2.88Å
62	I	97.3	Very high	93.7	Very high	16 Å²	16	63.9 Å²	63.9	8%	0.082	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-44.2	-178.7	-61.9	157.7	0	0	0	110.6	A58 W59 S64 I65 E66 I79 Y82 R83 V86	A58-I62 VanDerWaalsContact O-CD1 3.31Å; A58-I62 WeakPolarHBondContact O-CD1 3.37Å; A58-I62 WeakPolarHBondContact O-CG1 3.3Å; A58-I62 PolarHBondContact O-N 3.19Å; W59-I62 PolarHBondContact O-N 3.28Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.97Å; I62-I65 WeakPolarHBondContact O-CB 3.46Å; I62-I65 PolarHBondContact O-N 3.22Å; I62-I65 VanDerWaalsContact O-N 3.12Å; I62-E66 PolarHBondContact O-N 3.46Å; I62-I79 HydrophobicContact CG2-CG2 4Å; I62-Y82 HydrophobicContact CD1-CD1 3.43Å; I62-Y82 VanDerWaalsContact CD1-CD1 3.43Å; I62-Y82 HydrophobicContact CD1-CE1 3.55Å; I62-Y82 HydrophobicContact CG1-CD1 4.01Å; I62-Y82 HydrophobicContact CG1-CE1 4.28Å; I62-R83 HydrophobicContact CG2-CB 3.74Å; I62-R83 HydrophobicContact CG2-CG 4.47Å; I62-V86 HydrophobicContact CD1-CB 4.44Å; I62-V86 HydrophobicContact CD1-CG2 3.67Å
63	S	95.6	Very high	93.2	Very high	17 Å²	17	70.4 Å²	70.4	12%	0.119	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-39.4	175.6	-62.7	0	0	0	0	111.9	W59 E66 Q67 R83	W59-S63 PolarHBondContact NE1-OG 3.4Å; W59-S63 WeakPolarHBondContact O-CB 3.25Å; W59-S63 PolarHBondContact O-N 2.84Å; W59-S63 PolarHBondContact O-OG 2.93Å; W59-S63 VanDerWaalsContact O-OG 3.05Å; S63-E66 PolarHBondContact O-N 3.39Å; S63-Q67 WeakPolarHBondContact O-CG 3.38Å; S63-Q67 PolarHBondContact O-N 2.88Å; S63-Q67 VanDerWaalsContact O-N 3.07Å; S63-R83 VanDerWaalsContact OG-CD 3.28Å; S63-R83 WeakPolarHBondContact OG-CD 2.9Å
64	S	96.1	Very high	92.9	Very high	41 Å²	41	77.9 Å²	77.9	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-38.2	174.3	-169.2	0	0	0	0	112.5	R60 V61 I62 K68	R60-S64 WeakPolarHBondContact O-CB 3.33Å; R60-S64 PolarHBondContact O-N 3.35Å; V61-S64 PolarHBondContact O-N 3.13Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.97Å; S64-K68 WeakPolarHBondContact O-CG 3.07Å; S64-K68 PolarHBondContact O-N 3.45Å; S64-K68 PolarHBondContact OG-NZ 2.97Å
65	I	95.6	Very high	92.6	Very high	81 Å²	81	80.8 Å²	80.8	42%	0.415	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-44.1	174.6	-67.6	165.6	0	0	0	110.1	V61 I62 Q67 K68 T69 I79	V61-I65 HydrophobicContact CG1-CD1 3.91Å; V61-I65 WeakPolarHBondContact O-CG1 3.21Å; V61-I65 PolarHBondContact O-N 2.88Å; I62-I65 WeakPolarHBondContact O-CB 3.46Å; I62-I65 PolarHBondContact O-N 3.22Å; I62-I65 VanDerWaalsContact O-N 3.12Å; I65-Q67 PolarHBondContact O-N 3.32Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-T69 VanDerWaalsContact O-CB 3.31Å; I65-T69 WeakPolarHBondContact O-CB 3.36Å; I65-T69 PolarHBondContact O-N 2.96Å; I65-T69 VanDerWaalsContact O-N 3.12Å; I65-T69 PolarHBondContact O-OG1 3.18Å; I65-I79 HydrophobicContact CG2-CD1 3.99Å; I65-I79 HydrophobicContact CG2-CG1 4.45Å
66	E	94	Very high	92.4	Very high	36 Å²	36	79.8 Å²	79.8	17%	0.168	41%	0.413	C	S	.	.	H	α-helix	trans	-56.6	-49.4	177.5	-168.7	-178.1	163.1	0	0	111.3	I62 S63 K68 T69 L76 I79 K80 R83	I62-E66 PolarHBondContact O-N 3.46Å; S63-E66 PolarHBondContact O-N 3.39Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 2.97Å; E66-T69 PolarHBondContact O-N 3.43Å; E66-L76 HydrophobicContact CG-CD1 3.87Å; E66-I79 HydrophobicContact CB-CG2 3.64Å; E66-I79 HydrophobicContact CG-CG2 4.08Å; E66-K80 HydrophobicContact CG-CG 4.36Å; E66-K80 WeakPolarHBondContact OE1-CE 3.18Å; E66-K80 WeakPolarHBondContact OE1-CG 3.39Å; E66-R83 VanDerWaalsContact OE2-CD 3.32Å; E66-R83 WeakPolarHBondContact OE2-CD 3.34Å; E66-R83 IonicContact OE2-CZ 2.92Å; E66-R83 IonicContact OE2-NE 3.3Å; E66-R83 PolarHBondContact OE2-NE 3.24Å; E66-R83 IonicContact OE2-NH2 3.04Å
67	Q	91.8	Very high	92.3	Very high	162 Å²	162	82.7 Å²	82.7	76%	0.757	43%	0.428	S	S	*	.	H	α-helix	trans	-62.6	-30.7	-179.8	-72.8	173.3	-6	0	0	113.8	S63 I65	S63-Q67 WeakPolarHBondContact O-CG 3.38Å; S63-Q67 PolarHBondContact O-N 2.88Å; S63-Q67 VanDerWaalsContact O-N 3.07Å; I65-Q67 PolarHBondContact O-N 3.32Å
68	K	92.2	Very high	92.2	Very high	155 Å²	155	85 Å²	85	67%	0.674	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-2	-178.9	-67.8	171.1	-179.8	164.6	0	113.4	S64 I65 E66 D70	S64-K68 WeakPolarHBondContact O-CG 3.07Å; S64-K68 PolarHBondContact O-N 3.45Å; S64-K68 PolarHBondContact OG-NZ 2.97Å; I65-K68 PolarHBondContact O-N 3.42Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 2.97Å; K68-D70 PolarHBondContact O-N 3.41Å
69	T	87.5	Confident	92.1	Very high	20 Å²	20	84 Å²	84	12%	0.123	42%	0.423	C	S	.	.			trans	-93.7	98.1	-173.8	-67.7	0	0	0	0	110.9	I65 E66 T71 K75 I79	I65-T69 VanDerWaalsContact O-CB 3.31Å; I65-T69 WeakPolarHBondContact O-CB 3.36Å; I65-T69 PolarHBondContact O-N 2.96Å; I65-T69 VanDerWaalsContact O-N 3.12Å; I65-T69 PolarHBondContact O-OG1 3.18Å; E66-T69 PolarHBondContact O-N 3.43Å; T69-T71 HydrophobicContact CG2-CG2 3.93Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.49Å; T69-T71 PolarHBondContact O-N 2.89Å; T69-K75 HydrophobicContact CG2-CG 4.49Å; T69-I79 HydrophobicContact CG2-CD1 3.76Å
70	D	82.2	Confident	92	Very high	162 Å²	162	85.1 Å²	85.1	87%	0.866	43%	0.429	S	S	*	.			trans	-84	11.6	172.2	-60.9	-34.6	0	0	0	113.4	K68	K68-D70 PolarHBondContact O-N 3.41Å
71	T	76.4	Confident	92	Very high	58 Å²	58	84.2 Å²	84.2	36%	0.356	43%	0.431	S	S	.	.	S	Bend	trans	-81.2	172.1	-169.5	67.2	0	0	0	0	113.3	T69 K75	T69-T71 HydrophobicContact CG2-CG2 3.93Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.49Å; T69-T71 PolarHBondContact O-N 2.89Å; T71-K75 HydrophobicContact CG2-CD 4.2Å; T71-K75 WeakPolarHBondContact OG1-CB 3.4Å; T71-K75 WeakPolarHBondContact OG1-CD 3.05Å
72	S	79.9	Confident	92	Very high	83 Å²	83	86.5 Å²	86.5	58%	0.58	43%	0.432	S	S	*	.			trans	-40.9	143.1	175.9	65.1	0	0	0	0	114.8	K74 K75 L76	S72-K74 PolarHBondContact O-N 2.93Å; S72-K75 PolarHBondContact O-N 2.88Å; S72-L76 PolarHBondContact O-N 3.35Å
73	D	87.6	Confident	92	Very high	139 Å²	139	87.7 Å²	87.7	74%	0.743	44%	0.435	S	S	*	.	H	α-helix	trans	-45.3	-37.4	-179.2	-59.7	-21.9	0	0	0	114.4	K75 L76 Q77	D73-K75 PolarHBondContact O-N 2.89Å; D73-L76 PolarHBondContact O-N 3.26Å; D73-Q77 WeakPolarHBondContact O-CB 3.26Å; D73-Q77 PolarHBondContact O-N 3.4Å
74	K	91.1	Very high	92	Very high	185 Å²	185	91.5 Å²	91.5	80%	0.804	45%	0.451	S	S	*	.	H	α-helix	trans	-64.1	-41.2	179.7	-67.6	-173.6	179.9	-179	0	113.6	S72 L78	S72-K74 PolarHBondContact O-N 2.93Å; K74-L78 PolarHBondContact O-N 3.39Å; K74-L78 VanDerWaalsContact O-N 3.14Å
75	K	92.1	Very high	92.1	Very high	103 Å²	103	95 Å²	95	45%	0.448	46%	0.461	S	S	.	.	H	α-helix	trans	-73.3	-39.9	179.9	176.9	172.5	168.6	-166.1	0	110.3	T69 T71 S72 D73 Q77 L78 I79	T69-K75 HydrophobicContact CG2-CG 4.49Å; T71-K75 HydrophobicContact CG2-CD 4.2Å; T71-K75 WeakPolarHBondContact OG1-CB 3.4Å; T71-K75 WeakPolarHBondContact OG1-CD 3.05Å; S72-K75 PolarHBondContact O-N 2.88Å; D73-K75 PolarHBondContact O-N 2.89Å; K75-Q77 VanDerWaalsContact C-N 3.32Å; K75-Q77 PolarHBondContact O-N 3.08Å; K75-L78 PolarHBondContact O-N 3.39Å; K75-I79 HydrophobicContact CG-CD1 4.07Å; K75-I79 WeakPolarHBondContact O-CD1 3.42Å; K75-I79 WeakPolarHBondContact O-CG1 3.32Å; K75-I79 PolarHBondContact O-N 2.85Å; K75-I79 VanDerWaalsContact O-N 3.11Å
76	L	94.3	Very high	92.2	Very high	43 Å²	43	91.3 Å²	91.3	23%	0.225	44%	0.443	C	S	.	.	H	α-helix	trans	-60.6	-42.9	174.4	-177.2	61.1	0	0	0	111.3	E66 S72 D73 I79 K80	E66-L76 HydrophobicContact CG-CD1 3.87Å; S72-L76 PolarHBondContact O-N 3.35Å; D73-L76 PolarHBondContact O-N 3.26Å; L76-I79 PolarHBondContact O-N 3.46Å; L76-K80 HydrophobicContact CG-CD 4.41Å; L76-K80 WeakPolarHBondContact O-CG 3.34Å; L76-K80 PolarHBondContact O-N 2.8Å
77	Q	95.1	Very high	92.4	Very high	97 Å²	97	90.5 Å²	90.5	45%	0.453	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-44.8	176	-169.9	61	42.9	0	0	112.2	D73 K75 I79 K80 D81	D73-Q77 WeakPolarHBondContact O-CB 3.26Å; D73-Q77 PolarHBondContact O-N 3.4Å; K75-Q77 VanDerWaalsContact C-N 3.32Å; K75-Q77 PolarHBondContact O-N 3.08Å; Q77-I79 VanDerWaalsContact C-N 3.26Å; Q77-I79 PolarHBondContact O-N 3.18Å; Q77-K80 WeakPolarHBondContact O-CB 3.46Å; Q77-K80 PolarHBondContact O-N 3.3Å; Q77-K80 VanDerWaalsContact O-N 3.16Å; Q77-D81 PolarHBondContact NE2-OD1 3.08Å; Q77-D81 PolarHBondContact O-N 2.67Å
78	L	95.7	Very high	92.7	Very high	122 Å²	122	85.9 Å²	85.9	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-58.6	-39.1	177	-177.7	68.9	0	0	0	112.4	K74 K75 Y82	K74-L78 PolarHBondContact O-N 3.39Å; K74-L78 VanDerWaalsContact O-N 3.14Å; K75-L78 PolarHBondContact O-N 3.39Å; L78-Y82 WeakPolarHBondContact O-CB 3.42Å; L78-Y82 PolarHBondContact O-N 2.95Å; L78-Y82 VanDerWaalsContact O-N 3.13Å
79	I	96.5	Very high	93	Very high	20 Å²	20	81.5 Å²	81.5	10%	0.103	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-44.4	177.4	-66.2	159.5	0	0	0	110.4	I62 I65 E66 T69 K75 L76 Q77 Y82 R83	I62-I79 HydrophobicContact CG2-CG2 4Å; I65-I79 HydrophobicContact CG2-CD1 3.99Å; I65-I79 HydrophobicContact CG2-CG1 4.45Å; E66-I79 HydrophobicContact CB-CG2 3.64Å; E66-I79 HydrophobicContact CG-CG2 4.08Å; T69-I79 HydrophobicContact CG2-CD1 3.76Å; K75-I79 HydrophobicContact CG-CD1 4.07Å; K75-I79 WeakPolarHBondContact O-CD1 3.42Å; K75-I79 WeakPolarHBondContact O-CG1 3.32Å; K75-I79 PolarHBondContact O-N 2.85Å; K75-I79 VanDerWaalsContact O-N 3.11Å; L76-I79 PolarHBondContact O-N 3.46Å; Q77-I79 VanDerWaalsContact C-N 3.26Å; Q77-I79 PolarHBondContact O-N 3.18Å; I79-Y82 PolarHBondContact O-N 3.5Å; I79-R83 PolarHBondContact O-N 3.14Å
80	K	95.6	Very high	93.5	Very high	65 Å²	65	80.5 Å²	80.5	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-50.3	175.8	-76.3	174.5	178.2	-178	0	112	E66 L76 Q77 Y82 R83 E84	E66-K80 HydrophobicContact CG-CG 4.36Å; E66-K80 WeakPolarHBondContact OE1-CE 3.18Å; E66-K80 WeakPolarHBondContact OE1-CG 3.39Å; L76-K80 HydrophobicContact CG-CD 4.41Å; L76-K80 WeakPolarHBondContact O-CG 3.34Å; L76-K80 PolarHBondContact O-N 2.8Å; Q77-K80 WeakPolarHBondContact O-CB 3.46Å; Q77-K80 PolarHBondContact O-N 3.3Å; Q77-K80 VanDerWaalsContact O-N 3.16Å; K80-Y82 PolarHBondContact O-N 3.41Å; K80-R83 WeakPolarHBondContact O-CB 3.46Å; K80-R83 PolarHBondContact O-N 3.2Å; K80-R83 VanDerWaalsContact O-N 3.12Å; K80-E84 WeakPolarHBondContact O-CG 3.28Å; K80-E84 PolarHBondContact O-N 3.49Å
81	D	97.2	Very high	94.2	Very high	80 Å²	80	78.9 Å²	78.9	43%	0.428	38%	0.382	S	S	.	.	H	α-helix	trans	-58.3	-39.7	179.2	-64	-13.5	0	0	0	111.1	Q77 K85	Q77-D81 PolarHBondContact NE2-OD1 3.08Å; Q77-D81 PolarHBondContact O-N 2.67Å; D81-K85 PolarHBondContact O-N 3.26Å
82	Y	97.8	Very high	95.2	Very high	131 Å²	131	79.7 Å²	79.7	51%	0.514	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-37.4	177.9	-162.3	-115.3	0	0	0	112.7	I62 L78 I79 K80 K85 V86	I62-Y82 HydrophobicContact CD1-CD1 3.43Å; I62-Y82 VanDerWaalsContact CD1-CD1 3.43Å; I62-Y82 HydrophobicContact CD1-CE1 3.55Å; I62-Y82 HydrophobicContact CG1-CD1 4.01Å; I62-Y82 HydrophobicContact CG1-CE1 4.28Å; L78-Y82 WeakPolarHBondContact O-CB 3.42Å; L78-Y82 PolarHBondContact O-N 2.95Å; L78-Y82 VanDerWaalsContact O-N 3.13Å; I79-Y82 PolarHBondContact O-N 3.5Å; K80-Y82 PolarHBondContact O-N 3.41Å; Y82-K85 HydrophobicContact CD2-CD 4.4Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 WeakPolarHBondContact O-CB 3.41Å; Y82-K85 PolarHBondContact O-N 2.9Å; Y82-V86 WeakPolarHBondContact O-CG2 3.1Å; Y82-V86 PolarHBondContact O-N 2.74Å; Y82-V86 VanDerWaalsContact O-N 3.17Å
83	R	97.2	Very high	96.1	Very high	41 Å²	41	76.7 Å²	76.7	16%	0.155	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-50.9	171.7	-177.4	-178.7	51.7	72	7.8	110.5	I62 S63 E66 I79 K80 K85 V86 E87	I62-R83 HydrophobicContact CG2-CB 3.74Å; I62-R83 HydrophobicContact CG2-CG 4.47Å; S63-R83 VanDerWaalsContact OG-CD 3.28Å; S63-R83 WeakPolarHBondContact OG-CD 2.9Å; E66-R83 VanDerWaalsContact OE2-CD 3.32Å; E66-R83 WeakPolarHBondContact OE2-CD 3.34Å; E66-R83 IonicContact OE2-CZ 2.92Å; E66-R83 IonicContact OE2-NE 3.3Å; E66-R83 PolarHBondContact OE2-NE 3.24Å; E66-R83 IonicContact OE2-NH2 3.04Å; I79-R83 PolarHBondContact O-N 3.14Å; K80-R83 WeakPolarHBondContact O-CB 3.46Å; K80-R83 PolarHBondContact O-N 3.2Å; K80-R83 VanDerWaalsContact O-N 3.12Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.24Å; R83-V86 PolarHBondContact O-N 3.44Å; R83-E87 HydrophobicContact CG-CG 4.46Å; R83-E87 IonicContact CZ-OE1 2.86Å; R83-E87 IonicContact NH1-OE1 3.42Å; R83-E87 PolarHBondContact NH1-OE1 3.4Å; R83-E87 IonicContact NH1-OE2 3.86Å; R83-E87 PolarHBondContact NH1-OE2 3.4Å; R83-E87 VanDerWaalsContact NH1-OE2 3.09Å; R83-E87 WeakPolarHBondContact O-CG 3.08Å; R83-E87 PolarHBondContact O-N 3.39Å
84	E	96.8	Very high	96.6	Very high	98 Å²	98	70.1 Å²	70.1	46%	0.458	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-34.9	-178.8	-72.3	176.6	-173.1	0	0	112.3	K80 E87 S88	K80-E84 WeakPolarHBondContact O-CG 3.28Å; K80-E84 PolarHBondContact O-N 3.49Å; E84-E87 PolarHBondContact O-N 3.26Å; E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.49Å
85	K	98.2	Very high	97	Very high	113 Å²	113	64.3 Å²	64.3	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-49.5	170.7	-177.7	-175.3	174.6	-172.5	0	111.5	D81 Y82 R83 E87 S88 E89	D81-K85 PolarHBondContact O-N 3.26Å; Y82-K85 HydrophobicContact CD2-CD 4.4Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 WeakPolarHBondContact O-CB 3.41Å; Y82-K85 PolarHBondContact O-N 2.9Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.24Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.69Å; K85-S88 WeakPolarHBondContact O-CB 3.39Å; K85-S88 PolarHBondContact O-N 3.07Å; K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 PolarHBondContact O-N 3.22Å
86	V	98.1	Very high	97.3	Very high	5 Å²	5	61 Å²	61	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-37.8	179	177.7	0	0	0	0	111.3	R55 A58 W59 I62 Y82 R83 S88 E89 L90	R55-V86 HydrophobicContact CB-CG1 4.32Å; R55-V86 HydrophobicContact CG-CG1 4.44Å; R55-V86 VanDerWaalsContact O-CG1 3.3Å; R55-V86 WeakPolarHBondContact O-CG1 3.45Å; A58-V86 HydrophobicContact CB-CG1 4.2Å; W59-V86 HydrophobicContact CB-CG1 3.86Å; I62-V86 HydrophobicContact CD1-CB 4.44Å; I62-V86 HydrophobicContact CD1-CG2 3.67Å; Y82-V86 WeakPolarHBondContact O-CG2 3.1Å; Y82-V86 PolarHBondContact O-N 2.74Å; Y82-V86 VanDerWaalsContact O-N 3.17Å; R83-V86 PolarHBondContact O-N 3.44Å; V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 3.33Å; V86-E89 PolarHBondContact O-N 3.09Å; V86-L90 WeakPolarHBondContact O-CB 3.35Å; V86-L90 PolarHBondContact O-N 3.07Å
87	E	97.6	Very high	97.5	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173.5	-69.2	173.5	174.9	0	0	112.3	W59 R83 E84 K85 L90 R91 V132	W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.35Å; R83-E87 HydrophobicContact CG-CG 4.46Å; R83-E87 IonicContact CZ-OE1 2.86Å; R83-E87 IonicContact NH1-OE1 3.42Å; R83-E87 PolarHBondContact NH1-OE1 3.4Å; R83-E87 IonicContact NH1-OE2 3.86Å; R83-E87 PolarHBondContact NH1-OE2 3.4Å; R83-E87 VanDerWaalsContact NH1-OE2 3.09Å; R83-E87 WeakPolarHBondContact O-CG 3.08Å; R83-E87 PolarHBondContact O-N 3.39Å; E84-E87 PolarHBondContact O-N 3.26Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.69Å; E87-L90 PolarHBondContact O-N 2.94Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.39Å; E87-R91 PolarHBondContact O-N 3.27Å; E87-R91 PolarHBondContact O-NE 2.87Å; E87-V132 HydrophobicContact CG-CB 4.08Å; E87-V132 HydrophobicContact CG-CG1 4.23Å
88	S	97.5	Very high	97.7	Very high	65 Å²	65	55.1 Å²	55.1	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-44.3	175	-175	0	0	0	0	111.6	E84 K85 V86 R91 S92	E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.49Å; K85-S88 WeakPolarHBondContact O-CB 3.39Å; K85-S88 PolarHBondContact O-N 3.07Å; V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 3.33Å; S88-R91 PolarHBondContact O-N 3.41Å; S88-S92 WeakPolarHBondContact O-CB 3.39Å; S88-S92 PolarHBondContact O-N 3.45Å
89	E	98.1	Very high	97.8	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-47.5	174.9	-69	178.9	-162.3	0	0	111.5	R55 K85 V86 R91 S92 I93	R55-E89 HydrophobicContact CG-CB 4.04Å; R55-E89 IonicContact CZ-OE2 3.55Å; R55-E89 IonicContact NE-OE2 3.71Å; R55-E89 PolarHBondContact NE-OE2 3.03Å; R55-E89 IonicContact NH2-OE2 2.86Å; K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 PolarHBondContact O-N 3.22Å; V86-E89 PolarHBondContact O-N 3.09Å; E89-R91 PolarHBondContact O-N 2.77Å; E89-S92 WeakPolarHBondContact O-CB 3.16Å; E89-S92 PolarHBondContact O-N 3.09Å; E89-I93 WeakPolarHBondContact O-CD1 3.45Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.48Å; E89-I93 PolarHBondContact O-N 2.94Å
90	L	97.8	Very high	97.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-48.4	177.4	-173.8	156	0	0	0	111	V52 R55 R56 V86 E87 S92 I93 C94 L129 V132	V52-L90 HydrophobicContact CG2-CG 4.39Å; R55-L90 HydrophobicContact CB-CB 4.22Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.53Å; V86-L90 WeakPolarHBondContact O-CB 3.35Å; V86-L90 PolarHBondContact O-N 3.07Å; E87-L90 PolarHBondContact O-N 2.94Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-S92 PolarHBondContact O-N 3.08Å; L90-I93 PolarHBondContact O-N 3.39Å; L90-C94 PolarHBondContact O-N 3.47Å; L90-C94 PolarHBondContact O-SG 2.94Å; L90-C94 VanDerWaalsContact O-SG 3.4Å; L90-L129 HydrophobicContact CD2-CD2 4.3Å; L90-V132 HydrophobicContact CD1-CG1 4.12Å; L90-V132 HydrophobicContact CD2-CG2 3.99Å
91	R	97.6	Very high	98	Very high	127 Å²	127	49.9 Å²	49.9	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-57.2	-47.4	176.5	-77.8	-174.9	-71.6	169	-5.9	111.4	E87 S88 E89 I93 C94 T95 L129 V132	E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.39Å; E87-R91 PolarHBondContact O-N 3.27Å; E87-R91 PolarHBondContact O-NE 2.87Å; S88-R91 PolarHBondContact O-N 3.41Å; E89-R91 PolarHBondContact O-N 2.77Å; R91-I93 VanDerWaalsContact C-N 3.33Å; R91-I93 PolarHBondContact O-N 3.11Å; R91-C94 PolarHBondContact O-N 2.92Å; R91-T95 WeakPolarHBondContact O-CB 3.3Å; R91-T95 PolarHBondContact O-N 3.17Å; R91-T95 PolarHBondContact O-OG1 3.05Å; R91-L129 HydrophobicContact CB-CD2 4.22Å; R91-L129 HydrophobicContact CG-CD2 3.75Å; R91-V132 HydrophobicContact CG-CG2 4.44Å
92	S	98.2	Very high	98.1	Very high	75 Å²	75	49.4 Å²	49.4	52%	0.524	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-41.9	178.3	-174	0	0	0	0	112.8	S88 E89 L90 T96	S88-S92 WeakPolarHBondContact O-CB 3.39Å; S88-S92 PolarHBondContact O-N 3.45Å; E89-S92 WeakPolarHBondContact O-CB 3.16Å; E89-S92 PolarHBondContact O-N 3.09Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-S92 PolarHBondContact O-N 3.08Å; S92-T96 WeakPolarHBondContact O-CB 3.25Å; S92-T96 PolarHBondContact O-N 2.84Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.33Å
93	I	98.4	Very high	98.1	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.108	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-50	177.5	-66.6	154.8	0	0	0	109.8	Y48 V51 V52 R55 E89 L90 R91 T95 T96 V97	Y48-I93 HydrophobicContact CD1-CG2 4.15Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.97Å; V51-I93 HydrophobicContact CG1-CG2 4.13Å; V52-I93 HydrophobicContact CB-CG2 4.14Å; V52-I93 HydrophobicContact CG2-CG2 4.42Å; R55-I93 HydrophobicContact CG-CD1 3.96Å; E89-I93 WeakPolarHBondContact O-CD1 3.45Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.48Å; E89-I93 PolarHBondContact O-N 2.94Å; L90-I93 PolarHBondContact O-N 3.39Å; R91-I93 VanDerWaalsContact C-N 3.33Å; R91-I93 PolarHBondContact O-N 3.11Å; I93-T95 PolarHBondContact O-N 3.41Å; I93-T96 WeakPolarHBondContact O-CB 3.43Å; I93-T96 PolarHBondContact O-N 2.96Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 2.62Å
94	C	98.4	Very high	98.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-46.3	-179.8	-68.6	0	0	0	0	112.2	L90 R91 T96 V97 L98 Y125 L129	L90-C94 PolarHBondContact O-N 3.47Å; L90-C94 PolarHBondContact O-SG 2.94Å; L90-C94 VanDerWaalsContact O-SG 3.4Å; R91-C94 PolarHBondContact O-N 2.92Å; C94-T96 VanDerWaalsContact C-N 3.3Å; C94-T96 PolarHBondContact O-N 3.39Å; C94-V97 PolarHBondContact O-N 3.26Å; C94-V97 VanDerWaalsContact O-N 3.17Å; C94-L98 WeakPolarHBondContact O-CB 3.23Å; C94-L98 VanDerWaalsContact O-CG 3.23Å; C94-L98 WeakPolarHBondContact O-CG 3.3Å; C94-L98 PolarHBondContact O-N 3.48Å; C94-Y125 HydrophobicContact CB-CD1 4.1Å; C94-L129 HydrophobicContact CB-CD1 3.88Å; C94-L129 HydrophobicContact CB-CD2 3.62Å; C94-L129 HydrophobicContact CB-CG 3.57Å
95	T	98.1	Very high	98.2	Very high	64 Å²	64	45.8 Å²	45.8	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-43	176.6	-60.6	0	0	0	0	111.3	R91 I93 V97 L98 E99	R91-T95 WeakPolarHBondContact O-CB 3.3Å; R91-T95 PolarHBondContact O-N 3.17Å; R91-T95 PolarHBondContact O-OG1 3.05Å; I93-T95 PolarHBondContact O-N 3.41Å; T95-V97 VanDerWaalsContact C-N 3.33Å; T95-V97 PolarHBondContact O-N 3.37Å; T95-L98 PolarHBondContact O-N 2.97Å; T95-E99 WeakPolarHBondContact O-CG 3.42Å; T95-E99 PolarHBondContact O-N 3.32Å
96	T	98.6	Very high	98.2	Very high	34 Å²	34	41.8 Å²	41.8	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-47.1	175.8	-61.5	0	0	0	0	111.4	K27 Y48 S92 I93 C94 E99 L100	K27-T96 HydrophobicContact CD-CG2 3.94Å; Y48-T96 HydrophobicContact CE1-CG2 4.47Å; S92-T96 WeakPolarHBondContact O-CB 3.25Å; S92-T96 PolarHBondContact O-N 2.84Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.33Å; I93-T96 WeakPolarHBondContact O-CB 3.43Å; I93-T96 PolarHBondContact O-N 2.96Å; C94-T96 VanDerWaalsContact C-N 3.3Å; C94-T96 PolarHBondContact O-N 3.39Å; T96-E99 PolarHBondContact O-N 3.12Å; T96-L100 HydrophobicContact CG2-CD1 4.41Å; T96-L100 WeakPolarHBondContact O-CG 3.35Å; T96-L100 PolarHBondContact O-N 3.06Å
97	V	98.7	Very high	98.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-44.3	-179.7	172.4	0	0	0	0	111.7	Y48 I93 C94 T95 E99 L100 L101 M121 Y125	Y48-V97 HydrophobicContact CD1-CG2 3.26Å; Y48-V97 HydrophobicContact CD2-CG2 3.89Å; Y48-V97 HydrophobicContact CE1-CG2 3.59Å; Y48-V97 HydrophobicContact CE2-CG2 4.17Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 2.62Å; C94-V97 PolarHBondContact O-N 3.26Å; C94-V97 VanDerWaalsContact O-N 3.17Å; T95-V97 VanDerWaalsContact C-N 3.33Å; T95-V97 PolarHBondContact O-N 3.37Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 3.47Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-L100 VanDerWaalsContact O-N 3.16Å; V97-L101 HydrophobicContact CG1-CD1 3.71Å; V97-L101 HydrophobicContact CG1-CG 4.19Å; V97-L101 WeakPolarHBondContact O-CB 3.37Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 2.89Å; V97-M121 HydrophobicContact CG1-CE 3.73Å; V97-Y125 HydrophobicContact CB-CD1 3.88Å; V97-Y125 HydrophobicContact CB-CD2 4.34Å; V97-Y125 HydrophobicContact CB-CE1 3.92Å; V97-Y125 HydrophobicContact CB-CE2 4.43Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 3.97Å; V97-Y125 HydrophobicContact CG1-CD2 3.52Å; V97-Y125 HydrophobicContact CG1-CE1 3.99Å; V97-Y125 HydrophobicContact CG1-CE2 3.6Å; V97-Y125 HydrophobicContact CG1-CG 3.75Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.69Å
98	L	98.7	Very high	98	Very high	14 Å²	14	47 Å²	47	7%	0.073	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-40.5	178	-69.7	169.8	0	0	0	111.5	C94 T95 L101 D102 K122 F126 L129	C94-L98 WeakPolarHBondContact O-CB 3.23Å; C94-L98 VanDerWaalsContact O-CG 3.23Å; C94-L98 WeakPolarHBondContact O-CG 3.3Å; C94-L98 PolarHBondContact O-N 3.48Å; T95-L98 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.19Å; L98-D102 WeakPolarHBondContact O-CB 3.33Å; L98-D102 PolarHBondContact O-N 3.14Å; L98-K122 HydrophobicContact CD2-CG 3.82Å; L98-F126 HydrophobicContact CD1-CD1 3.88Å; L98-F126 HydrophobicContact CD1-CE1 3.58Å; L98-F126 HydrophobicContact CD1-CE2 4.29Å; L98-F126 HydrophobicContact CD1-CG 4.35Å; L98-F126 HydrophobicContact CD1-CZ 3.81Å; L98-F126 HydrophobicContact CD2-CD2 3.74Å; L98-F126 HydrophobicContact CD2-CE1 4.37Å; L98-F126 HydrophobicContact CD2-CE2 3.57Å; L98-F126 HydrophobicContact CD2-CG 4.22Å; L98-F126 HydrophobicContact CD2-CZ 3.91Å; L98-F126 HydrophobicContact CG-CZ 4.42Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å
99	E	98.5	Very high	97.9	Very high	92 Å²	92	44.9 Å²	44.9	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-41.1	174.2	-74.4	-173.8	-150.2	0	0	112.8	T95 T96 V97 L101 K103	T95-E99 WeakPolarHBondContact O-CG 3.42Å; T95-E99 PolarHBondContact O-N 3.32Å; T96-E99 PolarHBondContact O-N 3.12Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 3.47Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 3.42Å; E99-K103 IonicContact OE2-NZ 3.65Å; E99-K103 PolarHBondContact OE2-NZ 3.24Å
100	L	98.7	Very high	97.8	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-43	175.4	-69.5	175.8	0	0	0	111.4	K27 T30 E31 Y48 T96 V97 Y104 L105	K27-L100 HydrophobicContact CB-CD1 4.26Å; K27-L100 HydrophobicContact CG-CD1 4.09Å; K27-L100 HydrophobicContact CG-CD2 4.19Å; T30-L100 HydrophobicContact CG2-CB 4.23Å; T30-L100 HydrophobicContact CG2-CD2 3.99Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; Y48-L100 HydrophobicContact CE2-CD1 3.97Å; T96-L100 HydrophobicContact CG2-CD1 4.41Å; T96-L100 WeakPolarHBondContact O-CG 3.35Å; T96-L100 PolarHBondContact O-N 3.06Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-L100 VanDerWaalsContact O-N 3.16Å; L100-Y104 HydrophobicContact CD2-CD2 3.99Å; L100-Y104 HydrophobicContact CD2-CE2 4.24Å; L100-Y104 PolarHBondContact O-N 3.34Å; L100-L105 HydrophobicContact CB-CD1 4.48Å; L100-L105 PolarHBondContact O-N 2.94Å
101	L	98.7	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-59.6	-51.5	177.5	-73.2	166.6	0	0	0	111	V97 L98 E99 L105 I106 Y118 M121 K122	V97-L101 HydrophobicContact CG1-CD1 3.71Å; V97-L101 HydrophobicContact CG1-CG 4.19Å; V97-L101 WeakPolarHBondContact O-CB 3.37Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 2.89Å; L98-L101 PolarHBondContact O-N 3.19Å; E99-L101 VanDerWaalsContact C-N 3.33Å; L101-L105 HydrophobicContact CD2-CB 4.37Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.33Å; L101-L105 PolarHBondContact O-N 3.02Å; L101-I106 HydrophobicContact CB-CD1 4.05Å; L101-I106 HydrophobicContact CB-CG1 4.44Å; L101-I106 WeakPolarHBondContact O-CB 3.25Å; L101-I106 WeakPolarHBondContact O-CG1 3.37Å; L101-I106 PolarHBondContact O-N 3.5Å; L101-Y118 HydrophobicContact CD2-CD1 3.89Å; L101-Y118 HydrophobicContact CD2-CG 4.18Å; L101-M121 HydrophobicContact CD1-CB 4.34Å; L101-M121 HydrophobicContact CD1-CG 4.18Å; L101-M121 HydrophobicContact CD2-CB 4.25Å; L101-M121 HydrophobicContact CD2-CG 4.38Å; L101-M121 HydrophobicContact CD2-SD 4.15Å; L101-K122 HydrophobicContact CD1-CB 3.96Å
102	D	98.3	Very high	97.7	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	26%	0.262	S	S	.	.	I	π-helix	trans	-72.4	-40.9	-175.1	-73.8	-16.9	0	0	0	112.9	L98 A107 K122	L98-D102 WeakPolarHBondContact O-CB 3.33Å; L98-D102 PolarHBondContact O-N 3.14Å; D102-A107 WeakPolarHBondContact O-CB 3.36Å; D102-K122 WeakPolarHBondContact OD1-CE 3.47Å; D102-K122 IonicContact OD1-NZ 3.28Å; D102-K122 PolarHBondContact OD1-NZ 2.96Å; D102-K122 IonicContact OD2-NZ 2.94Å; D102-K122 PolarHBondContact OD2-NZ 3.49Å
103	K	98	Very high	97.6	Very high	118 Å²	118	45.2 Å²	45.2	51%	0.513	25%	0.249	S	C	.	.	I	π-helix	trans	-83	-33.5	-174	-66	173.2	-177.4	165.9	0	113.8	E99	E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 3.42Å; E99-K103 IonicContact OE2-NZ 3.65Å; E99-K103 PolarHBondContact OE2-NZ 3.24Å
104	Y	98.3	Very high	97.6	Very high	69 Å²	69	44.2 Å²	44.2	27%	0.271	24%	0.244	S	C	.	.	I	π-helix	trans	-126.1	-30.5	-167	-58.1	-80.2	0	0	0	114.7	T30 E31 L100 N108	T30-Y104 HydrophobicContact CG2-CD2 4.49Å; T30-Y104 HydrophobicContact CG2-CG 4.33Å; E31-Y104 HydrophobicContact CB-CE2 4.5Å; E31-Y104 HydrophobicContact CG-CD2 4.49Å; E31-Y104 HydrophobicContact CG-CE2 3.9Å; L100-Y104 HydrophobicContact CD2-CD2 3.99Å; L100-Y104 HydrophobicContact CD2-CE2 4.24Å; L100-Y104 PolarHBondContact O-N 3.34Å; Y104-N108 WeakPolarHBondContact O-CB 3.41Å; Y104-N108 PolarHBondContact O-ND2 2.98Å
105	L	98.5	Very high	97.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.259	C	S	.	.	I	π-helix	trans	-100.4	-59.3	-169.9	-58.5	167.6	0	0	0	112	T30 L36 L44 L100 L101 A107 N108 A109 Y118	T30-L105 HydrophobicContact CG2-CD1 4.11Å; T30-L105 HydrophobicContact CG2-CD2 3.66Å; T30-L105 HydrophobicContact CG2-CG 3.78Å; L36-L105 HydrophobicContact CD1-CD2 3.61Å; L36-L105 HydrophobicContact CG-CD2 3.87Å; L44-L105 HydrophobicContact CD2-CD1 3.43Å; L44-L105 VanDerWaalsContact CD2-CD1 3.43Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å; L100-L105 HydrophobicContact CB-CD1 4.48Å; L100-L105 PolarHBondContact O-N 2.94Å; L101-L105 HydrophobicContact CD2-CB 4.37Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.33Å; L101-L105 PolarHBondContact O-N 3.02Å; L105-A107 VanDerWaalsContact C-N 3.33Å; L105-N108 PolarHBondContact O-N 3.45Å; L105-A109 WeakPolarHBondContact O-CB 3.27Å; L105-A109 PolarHBondContact O-N 3.02Å; L105-Y118 HydrophobicContact CB-CD1 3.83Å; L105-Y118 HydrophobicContact CB-CD2 3.82Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.82Å; L105-Y118 HydrophobicContact CD1-CD1 4.07Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.93Å; L105-Y118 HydrophobicContact CD2-CE2 4.47Å; L105-Y118 HydrophobicContact CG-CD1 4.4Å; L105-Y118 HydrophobicContact CG-CE1 4.15Å
106	I	98.2	Very high	97.6	Very high	30 Å²	30	44.5 Å²	44.5	15%	0.154	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-41.6	177.4	-62.2	170.7	0	0	0	109.8	L101 N108 A109 L119 K122	L101-I106 HydrophobicContact CB-CD1 4.05Å; L101-I106 HydrophobicContact CB-CG1 4.44Å; L101-I106 WeakPolarHBondContact O-CB 3.25Å; L101-I106 WeakPolarHBondContact O-CG1 3.37Å; L101-I106 PolarHBondContact O-N 3.5Å; I106-N108 VanDerWaalsContact C-N 3.25Å; I106-N108 PolarHBondContact O-N 3.19Å; I106-A109 PolarHBondContact O-N 2.82Å; I106-L119 HydrophobicContact CD1-CD2 4Å; I106-L119 HydrophobicContact CD1-CG 4.46Å; I106-L119 HydrophobicContact CG2-CD2 4.48Å; I106-K122 HydrophobicContact CD1-CB 4.28Å; I106-K122 HydrophobicContact CD1-CD 3.73Å
107	A	96	Very high	97.6	Very high	67 Å²	67	44.2 Å²	44.2	55%	0.554	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.3	179.5	0	0	0	0	0	113.7	D102 L105	D102-A107 WeakPolarHBondContact O-CB 3.36Å; L105-A107 VanDerWaalsContact C-N 3.33Å
108	N	94.4	Very high	97.6	Very high	65 Å²	65	44.2 Å²	44.2	35%	0.348	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	3	-177.9	-62.2	-44.4	0	0	0	113.6	G33 Y104 L105 I106 T110	G33-N108 PolarHBondContact O-ND2 3.09Å; Y104-N108 WeakPolarHBondContact O-CB 3.41Å; Y104-N108 PolarHBondContact O-ND2 2.98Å; L105-N108 PolarHBondContact O-N 3.45Å; I106-N108 VanDerWaalsContact C-N 3.25Å; I106-N108 PolarHBondContact O-N 3.19Å; N108-T110 PolarHBondContact O-N 3.34Å
109	A	96.6	Very high	97.6	Very high	20 Å²	20	43.6 Å²	43.6	17%	0.165	23%	0.232	C	C	.	.			trans	-69.1	115.7	-179.8	0	0	0	0	0	110.4	L105 I106 K115 Y118	L105-A109 WeakPolarHBondContact O-CB 3.27Å; L105-A109 PolarHBondContact O-N 3.02Å; I106-A109 PolarHBondContact O-N 2.82Å; A109-K115 HydrophobicContact CB-CB 4.11Å; A109-Y118 HydrophobicContact CB-CD2 4.11Å; A109-Y118 HydrophobicContact CB-CE2 4.29Å
110	T	95.7	Very high	97.6	Very high	114 Å²	114	41 Å²	41	70%	0.699	22%	0.22	S	C	*	.			trans	-91.9	-21.8	-175.8	58.9	0	0	0	0	113.4	E35 N108	E35-T110 VanDerWaalsContact CD-OG1 3.27Å; E35-T110 PolarHBondContact OE1-N 3.29Å; E35-T110 PolarHBondContact OE1-OG1 2.87Å; E35-T110 VanDerWaalsContact OE1-OG1 3.08Å; E35-T110 WeakPolarHBondContact OE2-CB 3.49Å; E35-T110 VanDerWaalsContact OE2-CG2 3.24Å; E35-T110 WeakPolarHBondContact OE2-CG2 3.49Å; E35-T110 PolarHBondContact OE2-OG1 3.32Å; N108-T110 PolarHBondContact O-N 3.34Å
111	N	95.4	Very high	97.6	Very high	54 Å²	54	41.2 Å²	41.2	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	-115.9	149.5	-177	62.9	86.8	0	0	0	112.1	E35 E113 S114 K115	E35-N111 PolarHBondContact OE1-ND2 2.97Å; N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 3.32Å; N111-E113 PolarHBondContact OD1-N 2.84Å; N111-S114 PolarHBondContact ND2-OG 3.25Å; N111-S114 VanDerWaalsContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 2.84Å; N111-S114 VanDerWaalsContact OD1-CB 3.28Å; N111-S114 WeakPolarHBondContact OD1-CB 3.49Å; N111-S114 PolarHBondContact OD1-N 3.25Å; N111-S114 PolarHBondContact OD1-OG 3.32Å; N111-K115 PolarHBondContact O-N 3.41Å; N111-K115 VanDerWaalsContact O-N 3.13Å
112	P	97	Very high	97.6	Very high	51 Å²	51	43.3 Å²	43.3	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-39.1	-179.7	-27.1	35.2	0	0	0	113.9	S114 K115 V116 I155 E159	P112-S114 PolarHBondContact O-N 3.34Å; P112-K115 PolarHBondContact O-N 3.17Å; P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.31Å; P112-V116 PolarHBondContact O-N 3.15Å; P112-I155 HydrophobicContact CB-CG2 4.12Å; P112-E159 HydrophobicContact CB-CB 3.62Å; P112-E159 HydrophobicContact CB-CG 3.81Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 3.92Å
113	E	97	Very high	97.7	Very high	53 Å²	53	40 Å²	40	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-49.7	-178.3	-171.4	-161	122.5	0	0	111.6	R41 N111 K115 V116 F117 M160 H164 I166	R41-E113 IonicContact CZ-OE1 3.77Å; R41-E113 IonicContact NH1-OE1 3.86Å; R41-E113 PolarHBondContact NH1-OE1 3.4Å; R41-E113 IonicContact NH2-OE1 3.9Å; R41-E113 PolarHBondContact NH2-OE1 3.48Å; N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 3.32Å; N111-E113 PolarHBondContact OD1-N 2.84Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.15Å; E113-V116 PolarHBondContact O-N 3.02Å; E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 3.5Å; E113-M160 HydrophobicContact CG-CE 4.26Å; E113-H164 IonicContact OE2-NE2 3.14Å; E113-I166 HydrophobicContact CG-CD1 3.39Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.49Å
114	S	97.8	Very high	97.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-40	178.5	-62.3	0	0	0	0	111.1	R41 N111 P112 F117 Y118	R41-S114 PolarHBondContact NH1-OG 2.93Å; N111-S114 PolarHBondContact ND2-OG 3.25Å; N111-S114 VanDerWaalsContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 2.84Å; N111-S114 VanDerWaalsContact OD1-CB 3.28Å; N111-S114 WeakPolarHBondContact OD1-CB 3.49Å; N111-S114 PolarHBondContact OD1-N 3.25Å; N111-S114 PolarHBondContact OD1-OG 3.32Å; P112-S114 PolarHBondContact O-N 3.34Å; S114-F117 WeakPolarHBondContact O-CB 3.34Å; S114-F117 PolarHBondContact O-N 3.14Å; S114-Y118 WeakPolarHBondContact O-CD2 3.48Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 3.25Å
115	K	98.3	Very high	97.7	Very high	70 Å²	70	31.8 Å²	31.8	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-46.5	176.2	-171.8	168.5	177.8	-174.3	0	111.8	A109 N111 P112 E113 Y118 L119 E151 I155	A109-K115 HydrophobicContact CB-CB 4.11Å; N111-K115 PolarHBondContact O-N 3.41Å; N111-K115 VanDerWaalsContact O-N 3.13Å; P112-K115 PolarHBondContact O-N 3.17Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.15Å; K115-Y118 PolarHBondContact O-N 3.47Å; K115-L119 HydrophobicContact CG-CD1 3.83Å; K115-L119 HydrophobicContact CG-CG 4.45Å; K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 VanDerWaalsContact O-CG 3.31Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.14Å; K115-E151 VanDerWaalsContact CE-OE1 3.29Å; K115-E151 WeakPolarHBondContact CE-OE1 3.07Å; K115-E151 IonicContact NZ-OE1 2.76Å; K115-E151 PolarHBondContact NZ-OE1 2.57Å; K115-E151 VanDerWaalsContact NZ-OE1 3.14Å; K115-I155 HydrophobicContact CD-CD1 3.79Å; K115-I155 HydrophobicContact CG-CD1 4.03Å
116	V	98.7	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-42.6	175.8	174.4	0	0	0	0	111	P112 E113 Y118 L119 K120 A152 I155 M160 I166 L170	P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.31Å; P112-V116 PolarHBondContact O-N 3.15Å; E113-V116 PolarHBondContact O-N 3.02Å; V116-Y118 PolarHBondContact O-N 3.22Å; V116-L119 PolarHBondContact O-N 3.07Å; V116-K120 WeakPolarHBondContact O-CB 3.24Å; V116-K120 PolarHBondContact O-N 3.44Å; V116-A152 HydrophobicContact CG1-CB 4.34Å; V116-I155 HydrophobicContact CG2-CB 3.79Å; V116-I155 HydrophobicContact CG2-CG2 3.54Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4.01Å; V116-M160 HydrophobicContact CG2-SD 3.88Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.71Å; V116-L170 HydrophobicContact CG1-CD2 4.06Å
117	F	98.5	Very high	97.7	Very high	27 Å²	27	31.8 Å²	31.8	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-49.5	177.2	-173.6	-79.8	0	0	0	111.8	R41 E113 S114 M121 I166	R41-F117 VanDerWaalsContact CD-CD1 3.42Å; R41-F117 HydrophobicContact CG-CD1 3.56Å; R41-F117 HydrophobicContact CG-CE1 3.36Å; R41-F117 HydrophobicContact CG-CE2 4.38Å; R41-F117 HydrophobicContact CG-CG 4.17Å; R41-F117 HydrophobicContact CG-CZ 3.81Å; E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 3.5Å; S114-F117 WeakPolarHBondContact O-CB 3.34Å; S114-F117 PolarHBondContact O-N 3.14Å; F117-M121 HydrophobicContact CE1-SD 4.45Å; F117-M121 WeakPolarHBondContact O-CB 3.48Å; F117-M121 PolarHBondContact O-N 3.43Å; F117-I166 HydrophobicContact CB-CD1 4.38Å; F117-I166 HydrophobicContact CD2-CD1 3.87Å; F117-I166 HydrophobicContact CD2-CG1 4.13Å
118	Y	98.7	Very high	97.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-71.9	-38	-178.4	-62	-46.9	0	0	0	112.9	R41 L101 L105 A109 S114 K115 V116 M121 K122	R41-Y118 HydrophobicContact CG-CE1 3.66Å; L101-Y118 HydrophobicContact CD2-CD1 3.89Å; L101-Y118 HydrophobicContact CD2-CG 4.18Å; L105-Y118 HydrophobicContact CB-CD1 3.83Å; L105-Y118 HydrophobicContact CB-CD2 3.82Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.82Å; L105-Y118 HydrophobicContact CD1-CD1 4.07Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.93Å; L105-Y118 HydrophobicContact CD2-CE2 4.47Å; L105-Y118 HydrophobicContact CG-CD1 4.4Å; L105-Y118 HydrophobicContact CG-CE1 4.15Å; A109-Y118 HydrophobicContact CB-CD2 4.11Å; A109-Y118 HydrophobicContact CB-CE2 4.29Å; S114-Y118 WeakPolarHBondContact O-CD2 3.48Å; S114-Y118 VanDerWaalsContact O-CG 3.31Å; S114-Y118 PolarHBondContact O-N 3.25Å; K115-Y118 PolarHBondContact O-N 3.47Å; V116-Y118 PolarHBondContact O-N 3.22Å; Y118-M121 WeakPolarHBondContact O-CB 3.37Å; Y118-M121 PolarHBondContact O-N 3.2Å; Y118-K122 WeakPolarHBondContact O-CB 3.25Å; Y118-K122 PolarHBondContact O-N 3.34Å
119	L	98.9	Very high	98	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-41.1	175.3	-74.3	167.9	0	0	0	112.1	I106 K115 V116 M121 K122 G123 E151 A152 I155	I106-L119 HydrophobicContact CD1-CD2 4Å; I106-L119 HydrophobicContact CD1-CG 4.46Å; I106-L119 HydrophobicContact CG2-CD2 4.48Å; K115-L119 HydrophobicContact CG-CD1 3.83Å; K115-L119 HydrophobicContact CG-CG 4.45Å; K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 VanDerWaalsContact O-CG 3.31Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.14Å; V116-L119 PolarHBondContact O-N 3.07Å; L119-M121 VanDerWaalsContact C-N 3.29Å; L119-M121 PolarHBondContact O-N 3.15Å; L119-K122 WeakPolarHBondContact O-CB 3.28Å; L119-K122 PolarHBondContact O-N 3.15Å; L119-G123 PolarHBondContact O-N 3.24Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.48Å; L119-E151 HydrophobicContact CD2-CG 4.48Å; L119-E151 WeakPolarHBondContact CD2-OE2 3.36Å; L119-A152 HydrophobicContact CB-CB 3.65Å; L119-I155 HydrophobicContact CD1-CD1 3.79Å
120	K	98.7	Very high	98	Very high	37 Å²	37	26.5 Å²	26.5	16%	0.161	13%	0.134	C	C	.	.	H	α-helix	trans	-55.9	-47.8	170.4	177.6	-167.3	167.5	-67.4	0	110.6	V116 K122 G123 D124 Y149 G169 L170 N173	V116-K120 WeakPolarHBondContact O-CB 3.24Å; V116-K120 PolarHBondContact O-N 3.44Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.14Å; K120-G123 PolarHBondContact O-N 3.4Å; K120-D124 IonicContact NZ-OD2 3.86Å; K120-D124 PolarHBondContact NZ-OD2 3.33Å; K120-D124 PolarHBondContact O-N 3.45Å; K120-Y149 HydrophobicContact CG-CE1 4.5Å; K120-G169 WeakPolarHBondContact CE-O 3.34Å; K120-L170 HydrophobicContact CB-CD1 3.98Å; K120-L170 HydrophobicContact CD-CB 4.09Å; K120-L170 HydrophobicContact CG-CB 4.28Å; K120-L170 HydrophobicContact CG-CD1 3.95Å; K120-N173 WeakPolarHBondContact CE-ND2 3.46Å; K120-N173 PolarHBondContact NZ-ND2 3.35Å
121	M	98.7	Very high	97.9	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.044	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.8	-167.5	173.7	174.3	0	0	110.7	V97 L101 F117 Y118 L119 G123 D124 Y125	V97-M121 HydrophobicContact CG1-CE 3.73Å; L101-M121 HydrophobicContact CD1-CB 4.34Å; L101-M121 HydrophobicContact CD1-CG 4.18Å; L101-M121 HydrophobicContact CD2-CB 4.25Å; L101-M121 HydrophobicContact CD2-CG 4.38Å; L101-M121 HydrophobicContact CD2-SD 4.15Å; F117-M121 HydrophobicContact CE1-SD 4.45Å; F117-M121 WeakPolarHBondContact O-CB 3.48Å; F117-M121 PolarHBondContact O-N 3.43Å; Y118-M121 WeakPolarHBondContact O-CB 3.37Å; Y118-M121 PolarHBondContact O-N 3.2Å; L119-M121 VanDerWaalsContact C-N 3.29Å; L119-M121 PolarHBondContact O-N 3.15Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.47Å; M121-D124 WeakPolarHBondContact O-CA 3.42Å; M121-D124 WeakPolarHBondContact O-CB 3.33Å; M121-D124 PolarHBondContact O-N 2.93Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.6Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.61Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.33Å; M121-Y125 PolarHBondContact O-N 3Å; M121-Y125 HydrophobicContact SD-CE2 4.46Å
122	K	98.8	Very high	97.8	Very high	44 Å²	44	20.1 Å²	20.1	19%	0.191	10%	0.096	C	C	.	.	H	α-helix	trans	-56.1	-46	175.3	-174	172.5	179.7	170.6	0	112	L98 L101 D102 I106 Y118 L119 K120 Y125 F126 A148	L98-K122 HydrophobicContact CD2-CG 3.82Å; L101-K122 HydrophobicContact CD1-CB 3.96Å; D102-K122 WeakPolarHBondContact OD1-CE 3.47Å; D102-K122 IonicContact OD1-NZ 3.28Å; D102-K122 PolarHBondContact OD1-NZ 2.96Å; D102-K122 IonicContact OD2-NZ 2.94Å; D102-K122 PolarHBondContact OD2-NZ 3.49Å; I106-K122 HydrophobicContact CD1-CB 4.28Å; I106-K122 HydrophobicContact CD1-CD 3.73Å; Y118-K122 WeakPolarHBondContact O-CB 3.25Å; Y118-K122 PolarHBondContact O-N 3.34Å; L119-K122 WeakPolarHBondContact O-CB 3.28Å; L119-K122 PolarHBondContact O-N 3.15Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.14Å; K122-Y125 PolarHBondContact O-N 3.04Å; K122-F126 HydrophobicContact CD-CE2 4.33Å; K122-F126 HydrophobicContact CG-CD2 3.92Å; K122-F126 HydrophobicContact CG-CE2 3.77Å; K122-F126 WeakPolarHBondContact O-CD2 3.14Å; K122-F126 PolarHBondContact O-N 3.11Å; K122-A148 HydrophobicContact CB-CB 4.03Å; K122-A148 HydrophobicContact CD-CB 4.22Å; K122-A148 HydrophobicContact CG-CB 3.92Å
123	G	98.8	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.6	-46.5	172.5	0	0	0	0	0	112.2	L119 K120 M121 Y125 F126 R127 S145 Y149	L119-G123 PolarHBondContact O-N 3.24Å; K120-G123 PolarHBondContact O-N 3.4Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.47Å; G123-Y125 PolarHBondContact O-N 3.28Å; G123-F126 PolarHBondContact O-N 3.27Å; G123-R127 WeakPolarHBondContact O-CB 3.45Å; G123-R127 PolarHBondContact O-N 3.38Å; G123-S145 PolarHBondContact O-OG 2.94Å; G123-S145 VanDerWaalsContact O-OG 3.13Å; G123-Y149 VanDerWaalsContact C-CZ 3.42Å
124	D	98.8	Very high	97	Very high	9 Å²	9	20.6 Å²	20.6	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-45.7	177.5	-69.2	-38.1	0	0	0	112.6	K120 M121 R127 Y128 Y149 N173	K120-D124 IonicContact NZ-OD2 3.86Å; K120-D124 PolarHBondContact NZ-OD2 3.33Å; K120-D124 PolarHBondContact O-N 3.45Å; M121-D124 WeakPolarHBondContact O-CA 3.42Å; M121-D124 WeakPolarHBondContact O-CB 3.33Å; M121-D124 PolarHBondContact O-N 2.93Å; D124-R127 WeakPolarHBondContact O-CB 3.36Å; D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 IonicContact OD1-NH2 3.7Å; D124-Y128 HydrophobicContact CB-CE2 4.19Å; D124-Y128 VanDerWaalsContact O-CD1 3.3Å; D124-Y128 WeakPolarHBondContact O-CD1 3.27Å; D124-Y128 VanDerWaalsContact O-CD2 3.23Å; D124-Y128 WeakPolarHBondContact O-CD2 2.96Å; D124-Y128 PolarHBondContact O-N 3.01Å; D124-Y149 VanDerWaalsContact CA-OH 3.3Å; D124-Y149 WeakPolarHBondContact CA-OH 3.31Å; D124-Y149 PolarHBondContact N-OH 3.01Å; D124-Y149 PolarHBondContact OD1-OH 3.5Å; D124-N173 WeakPolarHBondContact OD1-CB 3.46Å; D124-N173 PolarHBondContact OD1-ND2 3.01Å; D124-N173 PolarHBondContact OD2-ND2 3.02Å
125	Y	98.7	Very high	96.3	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-73	-34.4	-178.3	-79.6	-88.5	0	0	0	113.2	Y48 K49 V52 C94 V97 M121 K122 G123 Y128 L129	Y48-Y125 WeakPolarHBondContact CB-OH 3.44Å; Y48-Y125 PolarHBondContact O-OH 3.03Å; K49-Y125 PolarHBondContact N-OH 3Å; V52-Y125 HydrophobicContact CB-CE1 4.13Å; V52-Y125 HydrophobicContact CG1-CE1 4.03Å; V52-Y125 HydrophobicContact CG2-CE1 4.28Å; C94-Y125 HydrophobicContact CB-CD1 4.1Å; V97-Y125 HydrophobicContact CB-CD1 3.88Å; V97-Y125 HydrophobicContact CB-CD2 4.34Å; V97-Y125 HydrophobicContact CB-CE1 3.92Å; V97-Y125 HydrophobicContact CB-CE2 4.43Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 3.97Å; V97-Y125 HydrophobicContact CG1-CD2 3.52Å; V97-Y125 HydrophobicContact CG1-CE1 3.99Å; V97-Y125 HydrophobicContact CG1-CE2 3.6Å; V97-Y125 HydrophobicContact CG1-CG 3.75Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.69Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.6Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.61Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.33Å; M121-Y125 PolarHBondContact O-N 3Å; M121-Y125 HydrophobicContact SD-CE2 4.46Å; K122-Y125 PolarHBondContact O-N 3.04Å; G123-Y125 PolarHBondContact O-N 3.28Å; Y125-Y128 HydrophobicContact CD1-CD2 4.12Å; Y125-Y128 HydrophobicContact CE1-CD2 4.38Å; Y125-Y128 HydrophobicContact CG-CD2 4.36Å; Y125-Y128 PolarHBondContact O-N 2.66Å; Y125-L129 WeakPolarHBondContact O-CG 3.26Å; Y125-L129 PolarHBondContact O-N 3.06Å; Y125-L129 VanDerWaalsContact O-N 3.09Å
126	F	98.6	Very high	95.5	Very high	25 Å²	25	27.4 Å²	27.4	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-39.7	168.9	-80.1	-60.2	0	0	0	111.8	L98 K122 G123 Y128 L129 A130 T141 N144	L98-F126 HydrophobicContact CD1-CD1 3.88Å; L98-F126 HydrophobicContact CD1-CE1 3.58Å; L98-F126 HydrophobicContact CD1-CE2 4.29Å; L98-F126 HydrophobicContact CD1-CG 4.35Å; L98-F126 HydrophobicContact CD1-CZ 3.81Å; L98-F126 HydrophobicContact CD2-CD2 3.74Å; L98-F126 HydrophobicContact CD2-CE1 4.37Å; L98-F126 HydrophobicContact CD2-CE2 3.57Å; L98-F126 HydrophobicContact CD2-CG 4.22Å; L98-F126 HydrophobicContact CD2-CZ 3.91Å; L98-F126 HydrophobicContact CG-CZ 4.42Å; K122-F126 HydrophobicContact CD-CE2 4.33Å; K122-F126 HydrophobicContact CG-CD2 3.92Å; K122-F126 HydrophobicContact CG-CE2 3.77Å; K122-F126 WeakPolarHBondContact O-CD2 3.14Å; K122-F126 PolarHBondContact O-N 3.11Å; G123-F126 PolarHBondContact O-N 3.27Å; F126-Y128 VanDerWaalsContact C-N 3.31Å; F126-Y128 PolarHBondContact O-N 3.42Å; F126-L129 HydrophobicContact CD1-CD1 4.1Å; F126-L129 CarbonylContact O-C 3.59Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.32Å; F126-L129 VanDerWaalsContact O-N 3.11Å; F126-A130 PolarHBondContact O-N 3.32Å; F126-T141 HydrophobicContact CB-CG2 4.43Å; F126-T141 HydrophobicContact CD1-CG2 4.17Å; F126-T141 WeakPolarHBondContact O-CG2 3.3Å; F126-N144 HydrophobicContact CD1-CB 3.8Å; F126-N144 HydrophobicContact CD2-CB 3.73Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.7Å; F126-N144 HydrophobicContact CG-CB 3.79Å; F126-N144 HydrophobicContact CZ-CB 3.74Å
127	R	98.1	Very high	95	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-45.3	172.5	170.6	165.6	72.8	91.1	-3	111.9	G123 D124 L129 A130 E131 Y149 F177 E180 I181	G123-R127 WeakPolarHBondContact O-CB 3.45Å; G123-R127 PolarHBondContact O-N 3.38Å; D124-R127 WeakPolarHBondContact O-CB 3.36Å; D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 IonicContact OD1-NH2 3.7Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 3.28Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.21Å; R127-A130 VanDerWaalsContact O-N 3.08Å; R127-E131 IonicContact NH1-OE1 2.97Å; R127-E131 PolarHBondContact O-N 3.13Å; R127-E131 VanDerWaalsContact O-N 3.12Å; R127-Y149 PolarHBondContact NE-OH 3.23Å; R127-F177 HydrophobicContact CB-CD2 4.28Å; R127-F177 HydrophobicContact CG-CD2 4.34Å; R127-E180 IonicContact NH1-OE2 3.3Å; R127-E180 PolarHBondContact NH1-OE2 3.38Å; R127-I181 HydrophobicContact CG-CD1 4.05Å; R127-I181 HydrophobicContact CG-CG1 3.73Å
128	Y	98	Very high	94.7	Very high	22 Å²	22	36.5 Å²	36.5	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-35.4	176.6	-55.9	-26.4	0	0	0	112.7	V52 R56 D124 Y125 F126	V52-Y128 HydrophobicContact CG1-CD2 3.94Å; V52-Y128 HydrophobicContact CG1-CE2 3.76Å; V52-Y128 HydrophobicContact CG2-CD2 3.89Å; R56-Y128 VanDerWaalsContact NE-CD1 3.29Å; D124-Y128 HydrophobicContact CB-CE2 4.19Å; D124-Y128 VanDerWaalsContact O-CD1 3.3Å; D124-Y128 WeakPolarHBondContact O-CD1 3.27Å; D124-Y128 VanDerWaalsContact O-CD2 3.23Å; D124-Y128 WeakPolarHBondContact O-CD2 2.96Å; D124-Y128 PolarHBondContact O-N 3.01Å; Y125-Y128 HydrophobicContact CD1-CD2 4.12Å; Y125-Y128 HydrophobicContact CE1-CD2 4.38Å; Y125-Y128 HydrophobicContact CG-CD2 4.36Å; Y125-Y128 PolarHBondContact O-N 2.66Å; F126-Y128 VanDerWaalsContact C-N 3.31Å; F126-Y128 PolarHBondContact O-N 3.42Å
129	L	97.6	Very high	94.5	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-39.7	171.7	-72.6	172.9	0	0	0	111.6	L90 R91 C94 L98 Y125 F126 R127 E131 V132 A133 T141	L90-L129 HydrophobicContact CD2-CD2 4.3Å; R91-L129 HydrophobicContact CB-CD2 4.22Å; R91-L129 HydrophobicContact CG-CD2 3.75Å; C94-L129 HydrophobicContact CB-CD1 3.88Å; C94-L129 HydrophobicContact CB-CD2 3.62Å; C94-L129 HydrophobicContact CB-CG 3.57Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å; Y125-L129 WeakPolarHBondContact O-CG 3.26Å; Y125-L129 PolarHBondContact O-N 3.06Å; Y125-L129 VanDerWaalsContact O-N 3.09Å; F126-L129 HydrophobicContact CD1-CD1 4.1Å; F126-L129 CarbonylContact O-C 3.59Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.32Å; F126-L129 VanDerWaalsContact O-N 3.11Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 3.28Å; L129-E131 PolarHBondContact O-N 2.69Å; L129-V132 WeakPolarHBondContact O-CG2 3.39Å; L129-V132 PolarHBondContact O-N 3.21Å; L129-V132 VanDerWaalsContact O-N 3.13Å; L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 2.89Å; L129-T141 HydrophobicContact CB-CG2 3.51Å
130	A	96.7	Very high	94.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-30.4	-179.9	0	0	0	0	0	112.4	F126 R127 V132 T141 I142 I181	F126-A130 PolarHBondContact O-N 3.32Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.21Å; R127-A130 VanDerWaalsContact O-N 3.08Å; A130-V132 PolarHBondContact O-N 3.12Å; A130-T141 HydrophobicContact CB-CG2 3.89Å; A130-I142 HydrophobicContact CB-CG1 3.94Å; A130-I181 HydrophobicContact CB-CD1 4.42Å; A130-I181 HydrophobicContact CB-CG2 3.96Å
131	E	94.4	Very high	94.2	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-35.5	174.1	-71.7	170.3	-145.3	0	0	112.4	R56 W59 R60 R127 L129 I181	R56-E131 IonicContact CZ-OE1 2.85Å; R56-E131 IonicContact CZ-OE2 3.57Å; R56-E131 IonicContact NE-OE1 2.89Å; R56-E131 PolarHBondContact NE-OE1 3.13Å; R56-E131 IonicContact NE-OE2 2.67Å; R56-E131 PolarHBondContact NE-OE2 2.94Å; R56-E131 VanDerWaalsContact NH2-CD 3.3Å; R56-E131 IonicContact NH2-OE1 3.37Å; R56-E131 PolarHBondContact NH2-OE1 3.41Å; R56-E131 IonicContact NH2-OE2 3.45Å; R56-E131 PolarHBondContact NH2-OE2 3.4Å; R56-E131 VanDerWaalsContact NH2-OE2 3.08Å; W59-E131 VanDerWaalsContact CH2-O 3.28Å; W59-E131 WeakPolarHBondContact CH2-O 3.49Å; R60-E131 IonicContact CZ-OE2 3.88Å; R60-E131 IonicContact NH1-OE2 2.62Å; R60-E131 IonicContact NH2-OE1 2.75Å; R60-E131 IonicContact NH2-OE2 3.06Å; R60-E131 PolarHBondContact NH2-OE2 3.38Å; R127-E131 IonicContact NH1-OE1 2.97Å; R127-E131 PolarHBondContact O-N 3.13Å; R127-E131 VanDerWaalsContact O-N 3.12Å; L129-E131 PolarHBondContact O-N 2.69Å; E131-I181 HydrophobicContact CG-CD1 3.83Å
132	V	93.9	Very high	94.2	Very high	12 Å²	12	48 Å²	48	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-108.3	-6.8	-175.1	-54	0	0	0	0	113.9	W59 E87 L90 R91 L129 A130	W59-V132 HydrophobicContact CD2-CG1 3.83Å; W59-V132 HydrophobicContact CE3-CG1 4.29Å; W59-V132 HydrophobicContact CG-CG1 4.19Å; W59-V132 HydrophobicContact CH2-CG1 4.38Å; W59-V132 HydrophobicContact CZ2-CB 4.49Å; W59-V132 HydrophobicContact CZ2-CG1 3.94Å; E87-V132 HydrophobicContact CG-CB 4.08Å; E87-V132 HydrophobicContact CG-CG1 4.23Å; L90-V132 HydrophobicContact CD1-CG1 4.12Å; L90-V132 HydrophobicContact CD2-CG2 3.99Å; R91-V132 HydrophobicContact CG-CG2 4.44Å; L129-V132 WeakPolarHBondContact O-CG2 3.39Å; L129-V132 PolarHBondContact O-N 3.21Å; L129-V132 VanDerWaalsContact O-N 3.13Å; A130-V132 PolarHBondContact O-N 3.12Å
133	A	91.6	Very high	94.1	Very high	15 Å²	15	49.4 Å²	49.4	12%	0.124	27%	0.267	C	S	.	.			trans	-77.8	148.1	-177.6	0	0	0	0	0	112.4	L129 R138	L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 2.89Å; A133-R138 HydrophobicContact CB-CB 3.86Å; A133-R138 HydrophobicContact CB-CG 4.18Å; A133-R138 PolarHBondContact O-NH1 3.11Å
134	C	84.6	Confident	94.1	Very high	99 Å²	99	52.3 Å²	52.3	67%	0.669	28%	0.282	S	S	*	.			trans	-126.6	154.9	177.8	-58.8	0	0	0	0	110.6
135	G	83.8	Confident	94.1	Very high	65 Å²	65	51.9 Å²	51.9	67%	0.67	28%	0.28	S	S	*	.	H	α-helix	trans	61.4	-145.5	174.8	0	0	0	0	0	114.1	D137 R138	G135-D137 VanDerWaalsContact C-N 3.29Å; G135-D137 PolarHBondContact O-N 3.37Å; G135-R138 VanDerWaalsContact O-CB 3.31Å; G135-R138 WeakPolarHBondContact O-CB 3.36Å; G135-R138 PolarHBondContact O-N 3.45Å; G135-R138 VanDerWaalsContact O-N 3.12Å
136	D	81.5	Confident	94.1	Very high	149 Å²	149	54.8 Å²	54.8	80%	0.797	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-32.8	-175.8	-66.6	-28.9	0	0	0	113	R138 K139 Q140	D136-R138 PolarHBondContact O-N 3.37Å; D136-K139 PolarHBondContact O-N 2.66Å; D136-K139 VanDerWaalsContact O-N 3.16Å; D136-Q140 PolarHBondContact O-N 3.2Å
137	D	87.3	Confident	94.1	Very high	121 Å²	121	55.5 Å²	55.5	65%	0.647	31%	0.308	S	S	*	.	H	α-helix	trans	-58.8	-32.2	176	-70.7	-15.6	0	0	0	111.6	G135 T141	G135-D137 VanDerWaalsContact C-N 3.29Å; G135-D137 PolarHBondContact O-N 3.37Å; D137-T141 VanDerWaalsContact O-CB 3.28Å; D137-T141 WeakPolarHBondContact O-CB 3.48Å; D137-T141 PolarHBondContact O-N 3.16Å; D137-T141 VanDerWaalsContact O-N 3.11Å; D137-T141 PolarHBondContact O-OG1 3.05Å
138	R	92.6	Very high	94.1	Very high	98 Å²	98	55.2 Å²	55.2	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-45.4	178.3	-171.9	-178.7	178.8	123.3	-5.2	111.4	A133 G135 D136 T141 I142	A133-R138 HydrophobicContact CB-CB 3.86Å; A133-R138 HydrophobicContact CB-CG 4.18Å; A133-R138 PolarHBondContact O-NH1 3.11Å; G135-R138 VanDerWaalsContact O-CB 3.31Å; G135-R138 WeakPolarHBondContact O-CB 3.36Å; G135-R138 PolarHBondContact O-N 3.45Å; G135-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 PolarHBondContact O-N 3.37Å; R138-T141 PolarHBondContact O-N 2.94Å; R138-I142 HydrophobicContact CG-CD1 3.92Å; R138-I142 HydrophobicContact CG-CG1 4.43Å; R138-I142 VanDerWaalsContact O-CG1 3.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.43Å; R138-I142 PolarHBondContact O-N 2.94Å
139	K	94.3	Very high	94.2	Very high	142 Å²	142	54.2 Å²	54.2	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-49.5	-177.8	-175.3	-179.4	176.7	-177	0	111.2	D136 T141 I142 D143	D136-K139 PolarHBondContact O-N 2.66Å; D136-K139 VanDerWaalsContact O-N 3.16Å; K139-T141 VanDerWaalsContact C-N 3.26Å; K139-T141 PolarHBondContact O-N 3.48Å; K139-I142 WeakPolarHBondContact O-CB 3.44Å; K139-I142 PolarHBondContact O-N 3.32Å; K139-I142 VanDerWaalsContact O-N 3.16Å; K139-D143 PolarHBondContact O-N 2.86Å
140	Q	95.6	Very high	94.2	Very high	106 Å²	106	56.5 Å²	56.5	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-37.8	178.3	-175.6	60.8	61.1	0	0	112	D136 D143 N144	D136-Q140 PolarHBondContact O-N 3.2Å; Q140-D143 PolarHBondContact O-N 3.03Å; Q140-N144 PolarHBondContact NE2-OD1 3.16Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.97Å; Q140-N144 PolarHBondContact O-ND2 2.96Å
141	T	97	Very high	94.3	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.129	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-41.2	177	-60	0	0	0	0	111.7	F126 L129 A130 D137 R138 K139 N144 S145	F126-T141 HydrophobicContact CB-CG2 4.43Å; F126-T141 HydrophobicContact CD1-CG2 4.17Å; F126-T141 WeakPolarHBondContact O-CG2 3.3Å; L129-T141 HydrophobicContact CB-CG2 3.51Å; A130-T141 HydrophobicContact CB-CG2 3.89Å; D137-T141 VanDerWaalsContact O-CB 3.28Å; D137-T141 WeakPolarHBondContact O-CB 3.48Å; D137-T141 PolarHBondContact O-N 3.16Å; D137-T141 VanDerWaalsContact O-N 3.11Å; D137-T141 PolarHBondContact O-OG1 3.05Å; R138-T141 PolarHBondContact O-N 2.94Å; K139-T141 VanDerWaalsContact C-N 3.26Å; K139-T141 PolarHBondContact O-N 3.48Å; T141-N144 PolarHBondContact O-N 2.97Å; T141-S145 WeakPolarHBondContact O-CB 3.3Å; T141-S145 PolarHBondContact O-N 3.16Å
142	I	97.9	Very high	94.5	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.118	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-48.4	174.6	-70.1	173.2	0	0	0	110.6	A130 R138 K139 N144 S145 Q146 F177 I181 L182	A130-I142 HydrophobicContact CB-CG1 3.94Å; R138-I142 HydrophobicContact CG-CD1 3.92Å; R138-I142 HydrophobicContact CG-CG1 4.43Å; R138-I142 VanDerWaalsContact O-CG1 3.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.43Å; R138-I142 PolarHBondContact O-N 2.94Å; K139-I142 WeakPolarHBondContact O-CB 3.44Å; K139-I142 PolarHBondContact O-N 3.32Å; K139-I142 VanDerWaalsContact O-N 3.16Å; I142-N144 VanDerWaalsContact C-N 3.3Å; I142-N144 PolarHBondContact O-N 2.75Å; I142-S145 WeakPolarHBondContact O-CB 3.23Å; I142-S145 PolarHBondContact O-N 2.81Å; I142-S145 VanDerWaalsContact O-N 3.16Å; I142-Q146 PolarHBondContact O-N 3.49Å; I142-F177 HydrophobicContact CG2-CE2 4.43Å; I142-F177 HydrophobicContact CG2-CZ 4.01Å; I142-I181 HydrophobicContact CD1-CG2 3.92Å; I142-I181 HydrophobicContact CG1-CG2 3.65Å; I142-L182 HydrophobicContact CG2-CD2 3.5Å; I142-L182 VanDerWaalsContact CG2-CD2 3.5Å
143	D	97.5	Very high	94.8	Very high	73 Å²	73	60 Å²	60	39%	0.39	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-41.4	179.7	-68	-18.9	0	0	0	111.2	K139 Q140 Q146 G147	K139-D143 PolarHBondContact O-N 2.86Å; Q140-D143 PolarHBondContact O-N 3.03Å; D143-Q146 PolarHBondContact O-N 3.27Å; D143-G147 PolarHBondContact O-N 2.94Å
144	N	98.2	Very high	95.1	Very high	60 Å²	60	62.9 Å²	62.9	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.4	-72	-21	0	0	0	112.6	F126 Q140 T141 I142 A148	F126-N144 HydrophobicContact CD1-CB 3.8Å; F126-N144 HydrophobicContact CD2-CB 3.73Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.7Å; F126-N144 HydrophobicContact CG-CB 3.79Å; F126-N144 HydrophobicContact CZ-CB 3.74Å; Q140-N144 PolarHBondContact NE2-OD1 3.16Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.97Å; Q140-N144 PolarHBondContact O-ND2 2.96Å; T141-N144 PolarHBondContact O-N 2.97Å; I142-N144 VanDerWaalsContact C-N 3.3Å; I142-N144 PolarHBondContact O-N 2.75Å; N144-A148 WeakPolarHBondContact O-CB 3.36Å; N144-A148 PolarHBondContact O-N 3.28Å
145	S	98.6	Very high	95.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-51.4	175.4	-178.1	0	0	0	0	110.8	G123 T141 I142 G147 A148 Y149 F177	G123-S145 PolarHBondContact O-OG 2.94Å; G123-S145 VanDerWaalsContact O-OG 3.13Å; T141-S145 WeakPolarHBondContact O-CB 3.3Å; T141-S145 PolarHBondContact O-N 3.16Å; I142-S145 WeakPolarHBondContact O-CB 3.23Å; I142-S145 PolarHBondContact O-N 2.81Å; I142-S145 VanDerWaalsContact O-N 3.16Å; S145-G147 PolarHBondContact O-N 3.27Å; S145-A148 PolarHBondContact O-N 2.94Å; S145-Y149 WeakPolarHBondContact O-CD2 3.39Å; S145-Y149 PolarHBondContact O-N 3.17Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.33Å; S145-F177 VanDerWaalsContact OG-CD2 3.3Å; S145-F177 WeakPolarHBondContact OG-CD2 3.28Å; S145-F177 VanDerWaalsContact OG-CE2 3.23Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å
146	Q	98.6	Very high	96.4	Very high	67 Å²	67	56.6 Å²	56.6	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-44	179.9	-173.6	172	-8.8	0	0	111.6	I142 D143 A148 Y149 Q150 F177	I142-Q146 PolarHBondContact O-N 3.49Å; D143-Q146 PolarHBondContact O-N 3.27Å; Q146-A148 PolarHBondContact O-N 3.13Å; Q146-Y149 PolarHBondContact O-N 3.05Å; Q146-Q150 VanDerWaalsContact O-CB 3.32Å; Q146-Q150 WeakPolarHBondContact O-CB 3.32Å; Q146-Q150 PolarHBondContact O-N 3.37Å; Q146-F177 HydrophobicContact CB-CE1 3.82Å; Q146-F177 HydrophobicContact CB-CZ 3.83Å; Q146-F177 HydrophobicContact CG-CE1 4.16Å
147	G	98.7	Very high	97.2	Very high	40 Å²	40	54.4 Å²	54.4	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-45	177.8	0	0	0	0	0	112.6	D143 S145 Q150 E151	D143-G147 PolarHBondContact O-N 2.94Å; S145-G147 PolarHBondContact O-N 3.27Å; G147-Q150 PolarHBondContact O-N 3.39Å; G147-E151 PolarHBondContact O-N 3.07Å
148	A	98.8	Very high	97.7	Very high	6 Å²	6	56.5 Å²	56.5	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-43.5	178.1	0	0	0	0	0	112.4	K122 N144 S145 Q146 A152	K122-A148 HydrophobicContact CB-CB 4.03Å; K122-A148 HydrophobicContact CD-CB 4.22Å; K122-A148 HydrophobicContact CG-CB 3.92Å; N144-A148 WeakPolarHBondContact O-CB 3.36Å; N144-A148 PolarHBondContact O-N 3.28Å; S145-A148 PolarHBondContact O-N 2.94Å; Q146-A148 PolarHBondContact O-N 3.13Å; A148-A152 WeakPolarHBondContact O-CB 3.26Å; A148-A152 PolarHBondContact O-N 2.85Å
149	Y	98.9	Very high	97.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175.2	-75.5	-53.7	0	0	0	112.4	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 3.3Å; D124-Y149 WeakPolarHBondContact CA-OH 3.31Å; D124-Y149 PolarHBondContact N-OH 3.01Å; D124-Y149 PolarHBondContact OD1-OH 3.5Å; R127-Y149 PolarHBondContact NE-OH 3.23Å; S145-Y149 WeakPolarHBondContact O-CD2 3.39Å; S145-Y149 PolarHBondContact O-N 3.17Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.33Å; Q146-Y149 PolarHBondContact O-N 3.05Å; Y149-A152 WeakPolarHBondContact O-CB 3.36Å; Y149-A152 PolarHBondContact O-N 2.92Å; Y149-F153 VanDerWaalsContact O-CB 3.26Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.27Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.41Å; Y149-N173 HydrophobicContact CE1-CB 4.13Å; Y149-F174 VanDerWaalsContact CB-CD2 3.47Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.1Å; Y149-F174 HydrophobicContact CD1-CD2 4.47Å; Y149-F174 HydrophobicContact CD1-CG 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.64Å; Y149-F174 HydrophobicContact CD2-CD2 3.64Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.29Å; Y149-F174 HydrophobicContact CE2-CD2 4.45Å; Y149-F174 HydrophobicContact CG-CB 4.11Å; Y149-F174 HydrophobicContact CG-CD1 4.46Å; Y149-F174 AromaticContact CG-CD2 3.64Å; Y149-F174 HydrophobicContact CG-CD2 3.64Å; Y149-F174 HydrophobicContact CG-CE2 4.07Å; Y149-F174 AromaticContact CG-CG 3.86Å; Y149-F174 HydrophobicContact CG-CG 3.86Å; Y149-F177 HydrophobicContact CD2-CB 4.19Å; Y149-F177 HydrophobicContact CD2-CD1 4.3Å; Y149-F177 HydrophobicContact CD2-CG 4.09Å; Y149-F177 HydrophobicContact CE2-CB 3.7Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.88Å; Y149-F177 HydrophobicContact CE2-CG 3.88Å
150	Q	98.7	Very high	98	Very high	68 Å²	68	51.7 Å²	51.7	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-43.7	179.5	-170.7	62.2	53.1	0	0	111.6	Q146 G147 A152 F153 D154	Q146-Q150 VanDerWaalsContact O-CB 3.32Å; Q146-Q150 WeakPolarHBondContact O-CB 3.32Å; Q146-Q150 PolarHBondContact O-N 3.37Å; G147-Q150 PolarHBondContact O-N 3.39Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.84Å; Q150-F153 PolarHBondContact O-N 2.78Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; Q150-D154 PolarHBondContact NE2-OD1 2.83Å; Q150-D154 VanDerWaalsContact O-CG 3.26Å; Q150-D154 PolarHBondContact O-N 3.26Å
151	E	98.7	Very high	98.1	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-44.8	174.9	-169.8	-172.8	166.3	0	0	111	K115 L119 G147 F153 D154 I155	K115-E151 VanDerWaalsContact CE-OE1 3.29Å; K115-E151 WeakPolarHBondContact CE-OE1 3.07Å; K115-E151 IonicContact NZ-OE1 2.76Å; K115-E151 PolarHBondContact NZ-OE1 2.57Å; K115-E151 VanDerWaalsContact NZ-OE1 3.14Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.48Å; L119-E151 HydrophobicContact CD2-CG 4.48Å; L119-E151 WeakPolarHBondContact CD2-OE2 3.36Å; G147-E151 PolarHBondContact O-N 3.07Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.26Å; E151-D154 PolarHBondContact O-N 3.02Å; E151-I155 HydrophobicContact CG-CD1 4.15Å; E151-I155 WeakPolarHBondContact O-CG1 3.17Å; E151-I155 PolarHBondContact O-N 3.02Å
152	A	98.8	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-41.9	174.9	0	0	0	0	0	111.3	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 3.26Å; A148-A152 PolarHBondContact O-N 2.85Å; Y149-A152 WeakPolarHBondContact O-CB 3.36Å; Y149-A152 PolarHBondContact O-N 2.92Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.84Å; A152-I155 PolarHBondContact O-N 3.39Å; A152-S156 VanDerWaalsContact O-CB 3.28Å; A152-S156 WeakPolarHBondContact O-CB 3.28Å; A152-S156 PolarHBondContact O-N 3.22Å; A152-S156 PolarHBondContact O-OG 2.85Å; A152-L170 VanDerWaalsContact C-CD2 3.47Å; A152-L170 HydrophobicContact CB-CD1 3.83Å; A152-L170 HydrophobicContact CB-CD2 3.64Å; A152-L170 HydrophobicContact CB-CG 4.41Å
153	F	98.6	Very high	98	Very high	26 Å²	26	51.1 Å²	51.1	11%	0.114	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-44.1	-175.4	-166.6	-110.4	0	0	0	111.4	Y149 Q150 E151 I155 S156 K157 L170 F174 L191	Y149-F153 VanDerWaalsContact O-CB 3.26Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.27Å; Q150-F153 PolarHBondContact O-N 2.78Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.26Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.16Å; F153-S156 WeakPolarHBondContact CA-OG 3.48Å; F153-S156 PolarHBondContact O-N 3.2Å; F153-S156 PolarHBondContact O-OG 3.23Å; F153-K157 HydrophobicContact CD1-CD 4.09Å; F153-K157 HydrophobicContact CE1-CD 3.71Å; F153-K157 HydrophobicContact CE1-CG 4.35Å; F153-K157 HydrophobicContact CZ-CD 4.16Å; F153-K157 HydrophobicContact CZ-CG 4.5Å; F153-K157 PolarHBondContact O-N 2.88Å; F153-L170 HydrophobicContact CB-CD2 4.12Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; F153-L170 HydrophobicContact CD2-CG 4.48Å; F153-F174 HydrophobicContact CB-CE1 4.42Å; F153-L191 HydrophobicContact CE1-CD1 4.31Å; F153-L191 HydrophobicContact CE2-CD1 3.59Å; F153-L191 HydrophobicContact CZ-CD1 3.42Å; F153-L191 VanDerWaalsContact CZ-CD1 3.42Å
154	D	98.5	Very high	98	Very high	75 Å²	75	50 Å²	50	40%	0.401	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-39.4	177.9	-69.4	-13	0	0	0	112.4	Q150 E151 K158	Q150-D154 PolarHBondContact NE2-OD1 2.83Å; Q150-D154 VanDerWaalsContact O-CG 3.26Å; Q150-D154 PolarHBondContact O-N 3.26Å; E151-D154 PolarHBondContact O-N 3.02Å; D154-K158 WeakPolarHBondContact O-CG 3.34Å
155	I	98.6	Very high	97.9	Very high	32 Å²	32	48.2 Å²	48.2	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-47.5	174.4	-62.4	165.4	0	0	0	109.8	P112 K115 V116 L119 E151 A152 F153 K157 K158 E159	P112-I155 HydrophobicContact CB-CG2 4.12Å; K115-I155 HydrophobicContact CD-CD1 3.79Å; K115-I155 HydrophobicContact CG-CD1 4.03Å; V116-I155 HydrophobicContact CG2-CB 3.79Å; V116-I155 HydrophobicContact CG2-CG2 3.54Å; L119-I155 HydrophobicContact CD1-CD1 3.79Å; E151-I155 HydrophobicContact CG-CD1 4.15Å; E151-I155 WeakPolarHBondContact O-CG1 3.17Å; E151-I155 PolarHBondContact O-N 3.02Å; A152-I155 PolarHBondContact O-N 3.39Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.16Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.46Å; I155-K158 PolarHBondContact O-N 3.03Å; I155-K158 VanDerWaalsContact O-N 3.07Å; I155-E159 HydrophobicContact CG2-CG 4.12Å; I155-E159 WeakPolarHBondContact O-CB 3.41Å; I155-E159 PolarHBondContact O-N 3.4Å
156	S	98.3	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-35.8	-176.9	75.6	0	0	0	0	113.1	A152 F153 K158 M160	A152-S156 VanDerWaalsContact O-CB 3.28Å; A152-S156 WeakPolarHBondContact O-CB 3.28Å; A152-S156 PolarHBondContact O-N 3.22Å; A152-S156 PolarHBondContact O-OG 2.85Å; F153-S156 WeakPolarHBondContact CA-OG 3.48Å; F153-S156 PolarHBondContact O-N 3.2Å; F153-S156 PolarHBondContact O-OG 3.23Å; S156-K158 VanDerWaalsContact C-N 3.29Å; S156-K158 PolarHBondContact O-N 2.82Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.28Å; S156-M160 PolarHBondContact O-N 3.24Å; S156-M160 VanDerWaalsContact O-N 3.08Å
157	K	97.4	Very high	97.8	Very high	102 Å²	102	47.2 Å²	47.2	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-66.7	-30	176.8	-84.3	-170.5	161.2	-179.2	0	113.3	F153 I155	F153-K157 HydrophobicContact CD1-CD 4.09Å; F153-K157 HydrophobicContact CE1-CD 3.71Å; F153-K157 HydrophobicContact CE1-CG 4.35Å; F153-K157 HydrophobicContact CZ-CD 4.16Å; F153-K157 HydrophobicContact CZ-CG 4.5Å; F153-K157 PolarHBondContact O-N 2.88Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.46Å
158	K	97.4	Very high	97.8	Very high	166 Å²	166	45.3 Å²	45.3	72%	0.722	21%	0.214	S	C	*	.	H	α-helix	trans	-87.2	-38.6	-178.3	-68.8	172.7	-175.5	172.8	0	112.3	D154 I155 S156	D154-K158 WeakPolarHBondContact O-CG 3.34Å; I155-K158 PolarHBondContact O-N 3.03Å; I155-K158 VanDerWaalsContact O-N 3.07Å; S156-K158 VanDerWaalsContact C-N 3.29Å; S156-K158 PolarHBondContact O-N 2.82Å
159	E	97.6	Very high	97.8	Very high	124 Å²	124	45.5 Å²	45.5	58%	0.579	22%	0.217	S	C	*	.	H	α-helix	trans	-110	-7.1	-164.4	-56.9	-62.9	149.6	0	0	114	P112 I155	P112-E159 HydrophobicContact CB-CB 3.62Å; P112-E159 HydrophobicContact CB-CG 3.81Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 3.92Å; I155-E159 HydrophobicContact CG2-CG 4.12Å; I155-E159 WeakPolarHBondContact O-CB 3.41Å; I155-E159 PolarHBondContact O-N 3.4Å
160	M	96.5	Very high	97.8	Very high	15 Å²	15	45.5 Å²	45.5	7%	0.074	22%	0.217	C	C	.	.	S	Bend	trans	-134.8	139.3	-170.8	-48.1	176.8	71	0	0	111.8	E113 V116 S156 H164 I166 R167	E113-M160 HydrophobicContact CG-CE 4.26Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4.01Å; V116-M160 HydrophobicContact CG2-SD 3.88Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.28Å; S156-M160 PolarHBondContact O-N 3.24Å; S156-M160 VanDerWaalsContact O-N 3.08Å; M160-H164 HydrophobicContact CB-CB 4.26Å; M160-H164 HydrophobicContact CE-CB 4.18Å; M160-H164 WeakPolarHBondContact CE-CE1 3.39Å; M160-H164 WeakPolarHBondContact CE-ND1 3.49Å; M160-I166 HydrophobicContact CE-CB 3.8Å; M160-I166 HydrophobicContact CE-CG2 3.93Å; M160-R167 HydrophobicContact CB-CB 4.37Å; M160-R167 PolarHBondContact O-NH1 2.91Å
161	Q	96.1	Very high	97.8	Very high	119 Å²	119	42.4 Å²	42.4	56%	0.556	20%	0.203	S	C	*	.			trans	-64.5	148.2	175	-61.9	-60.5	-14.9	0	0	111.3	T163 H164 R167 E202	Q161-T163 PolarHBondContact O-N 3.12Å; Q161-T163 VanDerWaalsContact O-N 3.12Å; Q161-H164 WeakPolarHBondContact O-CB 3.26Å; Q161-H164 PolarHBondContact O-N 3.39Å; Q161-R167 WeakPolarHBondContact O-CD 3.39Å; Q161-E202 PolarHBondContact OE1-OE2 2.87Å
162	P	97.3	Very high	97.8	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.078	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-32.4	175.9	-28.2	35.8	0	0	0	114.6	H164 L168 E198 E202	P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.3Å; P162-L168 WeakPolarHBondContact O-CG 3.49Å; P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.31Å; P162-E202 WeakPolarHBondContact CD-OE2 3.31Å
163	T	96.6	Very high	97.8	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.043	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.3	179.4	55.2	0	0	0	0	114.1	Q161 A199 E202 S214	Q161-T163 PolarHBondContact O-N 3.12Å; Q161-T163 VanDerWaalsContact O-N 3.12Å; T163-A199 HydrophobicContact CG2-CB 4.42Å; T163-A199 WeakPolarHBondContact CG2-O 3.47Å; T163-E202 HydrophobicContact CG2-CB 3.95Å; T163-S214 WeakPolarHBondContact O-CB 3.22Å; T163-S214 PolarHBondContact O-OG 2.89Å
164	H	96.4	Very high	97.8	Very high	50 Å²	50	39.6 Å²	39.6	23%	0.231	19%	0.191	C	C	.	.			trans	-68.1	128.3	-176.3	-169.4	-58.6	0	0	0	111.5	E113 M160 Q161 P162 I166 R167 L168	E113-H164 IonicContact OE2-NE2 3.14Å; M160-H164 HydrophobicContact CB-CB 4.26Å; M160-H164 HydrophobicContact CE-CB 4.18Å; M160-H164 WeakPolarHBondContact CE-CE1 3.39Å; M160-H164 WeakPolarHBondContact CE-ND1 3.49Å; Q161-H164 WeakPolarHBondContact O-CB 3.26Å; Q161-H164 PolarHBondContact O-N 3.39Å; P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.3Å; H164-I166 VanDerWaalsContact C-N 3.34Å; H164-I166 PolarHBondContact ND1-N 3.47Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 2.89Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 2.93Å; H164-L168 PolarHBondContact O-N 3.36Å
165	P	96.7	Very high	97.8	Very high	21 Å²	21	36 Å²	36	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-53.7	-43.7	-175.1	-26.1	29.5	0	0	0	114.5	L168 G169 D213 S214 I217	P165-L168 PolarHBondContact O-N 3.39Å; P165-G169 PolarHBondContact O-N 3.09Å; P165-D213 HydrophobicContact CB-CB 4.14Å; P165-D213 HydrophobicContact CG-CB 4.12Å; P165-S214 WeakPolarHBondContact CD-OG 3.38Å; P165-S214 WeakPolarHBondContact CG-OG 3.26Å; P165-I217 HydrophobicContact CB-CD1 4.16Å; P165-I217 VanDerWaalsContact O-CD1 3.28Å; P165-I217 WeakPolarHBondContact O-CD1 3.42Å
166	I	97.7	Very high	97.8	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.108	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-40	177.3	-68.5	169.2	0	0	0	112.9	E113 V116 F117 M160 H164 G169 L170	E113-I166 HydrophobicContact CG-CD1 3.39Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.49Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.71Å; F117-I166 HydrophobicContact CB-CD1 4.38Å; F117-I166 HydrophobicContact CD2-CD1 3.87Å; F117-I166 HydrophobicContact CD2-CG1 4.13Å; M160-I166 HydrophobicContact CE-CB 3.8Å; M160-I166 HydrophobicContact CE-CG2 3.93Å; H164-I166 VanDerWaalsContact C-N 3.34Å; H164-I166 PolarHBondContact ND1-N 3.47Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 2.89Å; I166-G169 PolarHBondContact O-N 3.22Å; I166-L170 WeakPolarHBondContact O-CB 3.34Å; I166-L170 PolarHBondContact O-N 2.98Å
167	R	98.1	Very high	97.8	Very high	25 Å²	25	35.4 Å²	35.4	9%	0.094	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-45	176.7	177.3	175.9	167.4	172.6	-6.2	110.8	M160 Q161 H164 L170 A171 E198	M160-R167 HydrophobicContact CB-CB 4.37Å; M160-R167 PolarHBondContact O-NH1 2.91Å; Q161-R167 WeakPolarHBondContact O-CD 3.39Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 2.93Å; R167-L170 WeakPolarHBondContact O-CB 3.36Å; R167-L170 PolarHBondContact O-N 3.43Å; R167-A171 PolarHBondContact O-N 3.18Å; R167-E198 IonicContact CZ-OE2 3.78Å; R167-E198 IonicContact NH2-OE2 3.55Å; R167-E198 PolarHBondContact NH2-OE2 3.1Å
168	L	98.5	Very high	97.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-45.9	173.9	-74.8	171.3	0	0	0	111.8	P162 H164 P165 L170 A171 L172 A199 I217 M218 L221	P162-L168 WeakPolarHBondContact O-CG 3.49Å; H164-L168 PolarHBondContact O-N 3.36Å; P165-L168 PolarHBondContact O-N 3.39Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.43Å; L168-A171 PolarHBondContact O-N 3.46Å; L168-L172 PolarHBondContact O-N 3.49Å; L168-A199 HydrophobicContact CD2-CB 3.73Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.48Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L168-M218 HydrophobicContact CD1-CG 3.92Å; L168-M218 HydrophobicContact CD1-SD 4.38Å; L168-M218 HydrophobicContact CD2-CG 4.12Å; L168-L221 HydrophobicContact CD2-CD1 4.01Å
169	G	98.4	Very high	97.9	Very high	10 Å²	10	26.3 Å²	26.3	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-32.2	178.7	0	0	0	0	0	112.7	K120 P165 I166 N173	K120-G169 WeakPolarHBondContact CE-O 3.34Å; P165-G169 PolarHBondContact O-N 3.09Å; I166-G169 PolarHBondContact O-N 3.22Å; G169-N173 PolarHBondContact O-N 3.43Å; G169-N173 VanDerWaalsContact O-N 3.12Å
170	L	98.8	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-49.3	170.6	169.7	63	0	0	0	111.1	V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174	V116-L170 HydrophobicContact CG1-CD2 4.06Å; K120-L170 HydrophobicContact CB-CD1 3.98Å; K120-L170 HydrophobicContact CD-CB 4.09Å; K120-L170 HydrophobicContact CG-CB 4.28Å; K120-L170 HydrophobicContact CG-CD1 3.95Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.41Å; A152-L170 VanDerWaalsContact C-CD2 3.47Å; A152-L170 HydrophobicContact CB-CD1 3.83Å; A152-L170 HydrophobicContact CB-CD2 3.64Å; A152-L170 HydrophobicContact CB-CG 4.41Å; F153-L170 HydrophobicContact CB-CD2 4.12Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; F153-L170 HydrophobicContact CD2-CG 4.48Å; I166-L170 WeakPolarHBondContact O-CB 3.34Å; I166-L170 PolarHBondContact O-N 2.98Å; R167-L170 WeakPolarHBondContact O-CB 3.36Å; R167-L170 PolarHBondContact O-N 3.43Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.43Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.81Å; L170-N173 PolarHBondContact O-N 2.98Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.19Å
171	A	98.8	Very high	97.8	Very high	2 Å²	2	25 Å²	25	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-41.5	178.1	0	0	0	0	0	112	R167 L168 S175 A195	R167-A171 PolarHBondContact O-N 3.18Å; L168-A171 PolarHBondContact O-N 3.46Å; A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 2.89Å; A171-S175 PolarHBondContact O-OG 2.92Å; A171-S175 VanDerWaalsContact O-OG 3.1Å; A171-A195 HydrophobicContact CB-CB 3.45Å; A171-A195 VanDerWaalsContact CB-CB 3.45Å
172	L	98.7	Very high	97.9	Very high	19 Å²	19	22 Å²	22	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-49	175.2	176.9	65.2	0	0	0	112	L168 L170 S175 V176 I217 L220 L221 N224	L168-L172 PolarHBondContact O-N 3.49Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.81Å; L172-S175 PolarHBondContact O-OG 2.87Å; L172-V176 VanDerWaalsContact O-CG2 3.27Å; L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.4Å; L172-I217 HydrophobicContact CB-CG2 4.3Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.9Å; L172-L220 HydrophobicContact CD2-CD1 3.91Å; L172-L221 HydrophobicContact CB-CD2 3.9Å; L172-L221 HydrophobicContact CB-CG 4.22Å; L172-L221 HydrophobicContact CD1-CD2 3.96Å; L172-L221 HydrophobicContact CD1-CG 4.18Å; L172-N224 VanDerWaalsContact CD1-ND2 3.31Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.27Å
173	N	98.6	Very high	97.8	Very high	29 Å²	29	28.2 Å²	28.2	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-74	-34.3	-176.5	-77.6	15.8	0	0	0	112.4	K120 D124 Y149 G169 L170 V176 F177	K120-N173 WeakPolarHBondContact CE-ND2 3.46Å; K120-N173 PolarHBondContact NZ-ND2 3.35Å; D124-N173 WeakPolarHBondContact OD1-CB 3.46Å; D124-N173 PolarHBondContact OD1-ND2 3.01Å; D124-N173 PolarHBondContact OD2-ND2 3.02Å; Y149-N173 HydrophobicContact CE1-CB 4.13Å; G169-N173 PolarHBondContact O-N 3.43Å; G169-N173 VanDerWaalsContact O-N 3.12Å; L170-N173 PolarHBondContact O-N 2.98Å; N173-V176 PolarHBondContact O-N 3.33Å; N173-F177 PolarHBondContact O-N 2.61Å
174	F	98.8	Very high	97.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-73.7	-33.8	178.7	-166	-170.2	0	0	0	111.7	Y149 F153 L170 F177 Y178 L191	Y149-F174 VanDerWaalsContact CB-CD2 3.47Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.1Å; Y149-F174 HydrophobicContact CD1-CD2 4.47Å; Y149-F174 HydrophobicContact CD1-CG 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.64Å; Y149-F174 HydrophobicContact CD2-CD2 3.64Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.29Å; Y149-F174 HydrophobicContact CE2-CD2 4.45Å; Y149-F174 HydrophobicContact CG-CB 4.11Å; Y149-F174 HydrophobicContact CG-CD1 4.46Å; Y149-F174 AromaticContact CG-CD2 3.64Å; Y149-F174 HydrophobicContact CG-CD2 3.64Å; Y149-F174 HydrophobicContact CG-CE2 4.07Å; Y149-F174 AromaticContact CG-CG 3.86Å; Y149-F174 HydrophobicContact CG-CG 3.86Å; F153-F174 HydrophobicContact CB-CE1 4.42Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.19Å; F174-F177 HydrophobicContact CD2-CB 4.28Å; F174-F177 AromaticContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CG 4.4Å; F174-F177 AromaticContact CE2-CD1 3.71Å; F174-F177 HydrophobicContact CE2-CD1 3.71Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 2.96Å; F174-F177 PolarHBondContact O-N 2.99Å; F174-Y178 HydrophobicContact CD1-CE2 4.15Å; F174-Y178 HydrophobicContact CD2-CD2 4.01Å; F174-Y178 AromaticContact CD2-CE2 3.58Å; F174-Y178 HydrophobicContact CD2-CE2 3.58Å; F174-Y178 HydrophobicContact CE1-CE2 4.04Å; F174-Y178 HydrophobicContact CE2-CD2 4.22Å; F174-Y178 HydrophobicContact CE2-CE1 4.15Å; F174-Y178 AromaticContact CE2-CE2 3.45Å; F174-Y178 HydrophobicContact CE2-CE2 3.45Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.45Å; F174-Y178 AromaticContact CE2-CZ 3.42Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.42Å; F174-Y178 WeakPolarHBondContact CE2-OH 3.34Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.72Å; F174-Y178 HydrophobicContact CZ-CE2 3.72Å; F174-Y178 AromaticContact CZ-CZ 3.55Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.35Å; F174-Y178 WeakPolarHBondContact O-CD2 3.47Å; F174-Y178 PolarHBondContact O-N 3.44Å; F174-L191 HydrophobicContact CB-CD2 3.8Å; F174-L191 HydrophobicContact CD1-CD2 3.83Å; F174-L191 HydrophobicContact CG-CD2 3.85Å
175	S	98.6	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-40.7	171.5	64.3	0	0	0	0	111.8	A171 L172 F177 Y178 Y179 A188	A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 2.89Å; A171-S175 PolarHBondContact O-OG 2.92Å; A171-S175 VanDerWaalsContact O-OG 3.1Å; L172-S175 PolarHBondContact O-OG 2.87Å; S175-F177 VanDerWaalsContact C-N 3.29Å; S175-F177 PolarHBondContact O-N 3.28Å; S175-Y178 PolarHBondContact O-N 3.29Å; S175-Y178 VanDerWaalsContact O-N 3.16Å; S175-Y179 PolarHBondContact O-N 3.08Å; S175-A188 WeakPolarHBondContact CB-O 3.33Å; S175-A188 VanDerWaalsContact O-CB 3.28Å; S175-A188 WeakPolarHBondContact O-CB 3.18Å
176	V	98.3	Very high	97.8	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.115	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-38.7	172.1	172.9	0	0	0	0	111.5	L172 N173 Y179 E180 W228	L172-V176 VanDerWaalsContact O-CG2 3.27Å; L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.4Å; N173-V176 PolarHBondContact O-N 3.33Å; V176-Y179 PolarHBondContact O-N 3.25Å; V176-E180 VanDerWaalsContact CG1-CD 3.43Å; V176-E180 HydrophobicContact CG1-CG 3.93Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.31Å; V176-E180 WeakPolarHBondContact O-CB 3.43Å; V176-E180 PolarHBondContact O-N 3Å; V176-W228 HydrophobicContact CG2-CH2 3.99Å; V176-W228 HydrophobicContact CG2-CZ2 3.95Å
177	F	98.6	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-47.5	172.8	169.4	-100.6	0	0	0	112.3	R127 I142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182	R127-F177 HydrophobicContact CB-CD2 4.28Å; R127-F177 HydrophobicContact CG-CD2 4.34Å; I142-F177 HydrophobicContact CG2-CE2 4.43Å; I142-F177 HydrophobicContact CG2-CZ 4.01Å; S145-F177 VanDerWaalsContact OG-CD2 3.3Å; S145-F177 WeakPolarHBondContact OG-CD2 3.28Å; S145-F177 VanDerWaalsContact OG-CE2 3.23Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å; Q146-F177 HydrophobicContact CB-CE1 3.82Å; Q146-F177 HydrophobicContact CB-CZ 3.83Å; Q146-F177 HydrophobicContact CG-CE1 4.16Å; Y149-F177 HydrophobicContact CD2-CB 4.19Å; Y149-F177 HydrophobicContact CD2-CD1 4.3Å; Y149-F177 HydrophobicContact CD2-CG 4.09Å; Y149-F177 HydrophobicContact CE2-CB 3.7Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.88Å; Y149-F177 HydrophobicContact CE2-CG 3.88Å; N173-F177 PolarHBondContact O-N 2.61Å; F174-F177 HydrophobicContact CD2-CB 4.28Å; F174-F177 AromaticContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CD1 3.77Å; F174-F177 HydrophobicContact CD2-CG 4.4Å; F174-F177 AromaticContact CE2-CD1 3.71Å; F174-F177 HydrophobicContact CE2-CD1 3.71Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 2.96Å; F174-F177 PolarHBondContact O-N 2.99Å; S175-F177 VanDerWaalsContact C-N 3.29Å; S175-F177 PolarHBondContact O-N 3.28Å; F177-Y179 VanDerWaalsContact C-N 3.29Å; F177-Y179 PolarHBondContact O-N 3.05Å; F177-I181 HydrophobicContact CD2-CB 3.76Å; F177-I181 HydrophobicContact CD2-CG1 3.78Å; F177-I181 HydrophobicContact CD2-CG2 4.13Å; F177-I181 HydrophobicContact CE2-CB 3.85Å; F177-I181 HydrophobicContact CE2-CG1 4.24Å; F177-I181 HydrophobicContact CE2-CG2 3.71Å; F177-I181 WeakPolarHBondContact O-CB 3.38Å; F177-I181 PolarHBondContact O-N 3.4Å; F177-L182 HydrophobicContact CD1-CD1 4.1Å; F177-L182 HydrophobicContact CD1-CG 4.38Å; F177-L182 HydrophobicContact CE1-CD1 3.34Å; F177-L182 HydrophobicContact CE1-CG 3.7Å; F177-L182 HydrophobicContact CZ-CD1 3.88Å; F177-L182 HydrophobicContact CZ-CD2 4.21Å; F177-L182 HydrophobicContact CZ-CG 3.8Å; F177-L182 PolarHBondContact O-N 2.85Å
178	Y	98.5	Very high	97.8	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-42.9	177.3	-76.7	-58.1	0	0	0	112	F174 S175 L182 N183 N184 L187 L191	F174-Y178 HydrophobicContact CD1-CE2 4.15Å; F174-Y178 HydrophobicContact CD2-CD2 4.01Å; F174-Y178 AromaticContact CD2-CE2 3.58Å; F174-Y178 HydrophobicContact CD2-CE2 3.58Å; F174-Y178 HydrophobicContact CE1-CE2 4.04Å; F174-Y178 HydrophobicContact CE2-CD2 4.22Å; F174-Y178 HydrophobicContact CE2-CE1 4.15Å; F174-Y178 AromaticContact CE2-CE2 3.45Å; F174-Y178 HydrophobicContact CE2-CE2 3.45Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.45Å; F174-Y178 AromaticContact CE2-CZ 3.42Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.42Å; F174-Y178 WeakPolarHBondContact CE2-OH 3.34Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.72Å; F174-Y178 HydrophobicContact CZ-CE2 3.72Å; F174-Y178 AromaticContact CZ-CZ 3.55Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.35Å; F174-Y178 WeakPolarHBondContact O-CD2 3.47Å; F174-Y178 PolarHBondContact O-N 3.44Å; S175-Y178 PolarHBondContact O-N 3.29Å; S175-Y178 VanDerWaalsContact O-N 3.16Å; Y178-L182 HydrophobicContact CD1-CD1 3.53Å; Y178-L182 HydrophobicContact CE1-CD1 3.69Å; Y178-L182 CarbonylContact O-C 3.51Å; Y178-N183 PolarHBondContact O-N 2.79Å; Y178-N184 PolarHBondContact O-N 3.39Å; Y178-L187 HydrophobicContact CD1-CB 4.31Å; Y178-L187 HydrophobicContact CD1-CD2 3.43Å; Y178-L187 VanDerWaalsContact CD1-CD2 3.43Å; Y178-L187 HydrophobicContact CD1-CG 3.77Å; Y178-L187 HydrophobicContact CD2-CD2 4.46Å; Y178-L187 HydrophobicContact CD2-CG 4.03Å; Y178-L187 HydrophobicContact CE1-CD2 3.18Å; Y178-L187 HydrophobicContact CE1-CG 3.83Å; Y178-L187 HydrophobicContact CE2-CD2 4.24Å; Y178-L187 HydrophobicContact CE2-CG 4.05Å; Y178-L187 HydrophobicContact CG-CB 4.33Å; Y178-L187 HydrophobicContact CG-CD2 4.1Å; Y178-L187 HydrophobicContact CG-CG 3.9Å; Y178-L191 HydrophobicContact CD2-CD2 3.97Å; Y178-L191 HydrophobicContact CE2-CD2 3.84Å
179	Y	98	Very high	97.8	Very high	60 Å²	60	38.2 Å²	38.2	24%	0.235	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-59.3	179.8	-173.7	-89.4	0	0	0	112	S175 V176 F177 N183 P185 W228 D231	S175-Y179 PolarHBondContact O-N 3.08Å; V176-Y179 PolarHBondContact O-N 3.25Å; F177-Y179 VanDerWaalsContact C-N 3.29Å; F177-Y179 PolarHBondContact O-N 3.05Å; Y179-N183 WeakPolarHBondContact O-CA 3.37Å; Y179-N183 PolarHBondContact O-N 3.3Å; Y179-P185 HydrophobicContact CD2-CB 3.98Å; Y179-P185 HydrophobicContact CE2-CB 4.12Å; Y179-W228 AromaticContact CD1-CD1 3.97Å; Y179-W228 HydrophobicContact CD1-CZ2 4.5Å; Y179-W228 AromaticContact CD1-NE1 3.5Å; Y179-W228 HydrophobicContact CD2-CB 4.03Å; Y179-W228 AromaticContact CD2-CD1 3.47Å; Y179-W228 VanDerWaalsContact CD2-CD1 3.47Å; Y179-W228 AromaticContact CD2-CD2 3.75Å; Y179-W228 HydrophobicContact CD2-CD2 3.75Å; Y179-W228 AromaticContact CD2-CE2 3.87Å; Y179-W228 AromaticContact CD2-CG 3.49Å; Y179-W228 HydrophobicContact CD2-CG 3.49Å; Y179-W228 VanDerWaalsContact CD2-CG 3.49Å; Y179-W228 AromaticContact CD2-NE1 3.67Å; Y179-W228 AromaticContact CE1-CD1 3.7Å; Y179-W228 AromaticContact CE1-NE1 3.58Å; Y179-W228 HydrophobicContact CE2-CB 3.75Å; Y179-W228 AromaticContact CE2-CD1 3.16Å; Y179-W228 HydrophobicContact CE2-CD2 4.19Å; 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 3.75Å; Y179-W228 AromaticContact CG-CD1 3.86Å; Y179-W228 HydrophobicContact CG-CD2 4.05Å; Y179-W228 AromaticContact CG-CE2 3.68Å; Y179-W228 HydrophobicContact CG-CG 4.14Å; Y179-W228 HydrophobicContact CG-CZ2 4.17Å; Y179-W228 AromaticContact CG-NE1 3.55Å; Y179-W228 AromaticContact CZ-CD1 3.29Å; Y179-W228 AromaticContact CZ-NE1 3.7Å; Y179-D231 PolarHBondContact OH-OD2 3.24Å
180	E	95.9	Very high	97.8	Very high	98 Å²	98	41.4 Å²	41.4	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-78.4	-31.3	-169.2	-64.1	-176.2	163.8	0	0	114	R127 V176	R127-E180 IonicContact NH1-OE2 3.3Å; R127-E180 PolarHBondContact NH1-OE2 3.38Å; V176-E180 VanDerWaalsContact CG1-CD 3.43Å; V176-E180 HydrophobicContact CG1-CG 3.93Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.31Å; V176-E180 WeakPolarHBondContact O-CB 3.43Å; V176-E180 PolarHBondContact O-N 3Å
181	I	96.9	Very high	97.7	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.077	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-45.1	-171.8	-53.8	-57	0	0	0	112.2	R127 A130 E131 I142 F177	R127-I181 HydrophobicContact CG-CD1 4.05Å; R127-I181 HydrophobicContact CG-CG1 3.73Å; A130-I181 HydrophobicContact CB-CD1 4.42Å; A130-I181 HydrophobicContact CB-CG2 3.96Å; E131-I181 HydrophobicContact CG-CD1 3.83Å; I142-I181 HydrophobicContact CD1-CG2 3.92Å; I142-I181 HydrophobicContact CG1-CG2 3.65Å; F177-I181 HydrophobicContact CD2-CB 3.76Å; F177-I181 HydrophobicContact CD2-CG1 3.78Å; F177-I181 HydrophobicContact CD2-CG2 4.13Å; F177-I181 HydrophobicContact CE2-CB 3.85Å; F177-I181 HydrophobicContact CE2-CG1 4.24Å; F177-I181 HydrophobicContact CE2-CG2 3.71Å; F177-I181 WeakPolarHBondContact O-CB 3.38Å; F177-I181 PolarHBondContact O-N 3.4Å
182	L	96.6	Very high	97.7	Very high	56 Å²	56	42.2 Å²	42.2	29%	0.293	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.1	178.9	-67.5	-177.6	0	0	0	113.2	I142 F177 Y178 N184	I142-L182 HydrophobicContact CG2-CD2 3.5Å; I142-L182 VanDerWaalsContact CG2-CD2 3.5Å; F177-L182 HydrophobicContact CD1-CD1 4.1Å; F177-L182 HydrophobicContact CD1-CG 4.38Å; F177-L182 HydrophobicContact CE1-CD1 3.34Å; F177-L182 HydrophobicContact CE1-CG 3.7Å; F177-L182 HydrophobicContact CZ-CD1 3.88Å; F177-L182 HydrophobicContact CZ-CD2 4.21Å; F177-L182 HydrophobicContact CZ-CG 3.8Å; F177-L182 PolarHBondContact O-N 2.85Å; Y178-L182 HydrophobicContact CD1-CD1 3.53Å; Y178-L182 HydrophobicContact CE1-CD1 3.69Å; Y178-L182 CarbonylContact O-C 3.51Å; L182-N184 HydrophobicContact CB-CB 4.37Å; L182-N184 PolarHBondContact O-N 2.81Å
183	N	95.9	Very high	97.7	Very high	141 Å²	141	47 Å²	47	75%	0.754	24%	0.238	S	C	*	.			trans	49.9	42.5	-176.9	-163.1	52.5	0	0	0	112.1	Y178 Y179 P185	Y178-N183 PolarHBondContact O-N 2.79Å; Y179-N183 WeakPolarHBondContact O-CA 3.37Å; Y179-N183 PolarHBondContact O-N 3.3Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å
184	N	97.3	Very high	97.7	Very high	58 Å²	58	48.3 Å²	48.3	31%	0.31	25%	0.248	S	C	.	.			trans	-121.2	79.7	-177	-169	-26.7	0	0	0	110	Y178 L182 E186 L187 A188	Y178-N184 PolarHBondContact O-N 3.39Å; L182-N184 HydrophobicContact CB-CB 4.37Å; L182-N184 PolarHBondContact O-N 2.81Å; N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.31Å; N184-L187 HydrophobicContact CB-CB 4.35Å; N184-L187 PolarHBondContact O-N 2.65Å; N184-L187 VanDerWaalsContact OD1-CB 3.31Å; N184-L187 WeakPolarHBondContact OD1-CB 3.32Å; N184-L187 PolarHBondContact OD1-N 2.96Å; N184-A188 WeakPolarHBondContact O-CB 3.28Å; N184-A188 PolarHBondContact O-N 2.87Å; N184-A188 VanDerWaalsContact O-N 3.09Å
185	P	96.6	Very high	97.7	Very high	39 Å²	39	48.8 Å²	48.8	25%	0.253	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-33.4	-178.2	25	-34	0	0	0	112.8	Y179 N183 L187 A188 C189	Y179-P185 HydrophobicContact CD2-CB 3.98Å; Y179-P185 HydrophobicContact CE2-CB 4.12Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-L187 PolarHBondContact O-N 3.38Å; P185-A188 PolarHBondContact O-N 3.48Å; P185-C189 VanDerWaalsContact O-CB 3.31Å; P185-C189 WeakPolarHBondContact O-CB 3.48Å; P185-C189 PolarHBondContact O-N 3.34Å; P185-C189 PolarHBondContact O-SG 3.47Å; P185-C189 VanDerWaalsContact O-SG 3.35Å
186	E	96.4	Very high	97.6	Very high	152 Å²	152	50.5 Å²	50.5	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-49.1	177.7	-175.6	-175.2	177.3	0	0	111.3	N184 C189 T190	N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.31Å; E186-C189 PolarHBondContact O-N 3.08Å; E186-T190 WeakPolarHBondContact O-CB 3.42Å; E186-T190 PolarHBondContact O-N 2.94Å; E186-T190 PolarHBondContact O-OG1 3.49Å
187	L	97.2	Very high	97.6	Very high	66 Å²	66	53.3 Å²	53.3	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-36.6	-180	-172.9	52.9	0	0	0	111.8	Y178 N184 P185 T190 L191	Y178-L187 HydrophobicContact CD1-CB 4.31Å; Y178-L187 HydrophobicContact CD1-CD2 3.43Å; Y178-L187 VanDerWaalsContact CD1-CD2 3.43Å; Y178-L187 HydrophobicContact CD1-CG 3.77Å; Y178-L187 HydrophobicContact CD2-CD2 4.46Å; Y178-L187 HydrophobicContact CD2-CG 4.03Å; Y178-L187 HydrophobicContact CE1-CD2 3.18Å; Y178-L187 HydrophobicContact CE1-CG 3.83Å; Y178-L187 HydrophobicContact CE2-CD2 4.24Å; Y178-L187 HydrophobicContact CE2-CG 4.05Å; Y178-L187 HydrophobicContact CG-CB 4.33Å; Y178-L187 HydrophobicContact CG-CD2 4.1Å; Y178-L187 HydrophobicContact CG-CG 3.9Å; N184-L187 HydrophobicContact CB-CB 4.35Å; N184-L187 PolarHBondContact O-N 2.65Å; N184-L187 VanDerWaalsContact OD1-CB 3.31Å; N184-L187 WeakPolarHBondContact OD1-CB 3.32Å; N184-L187 PolarHBondContact OD1-N 2.96Å; P185-L187 PolarHBondContact O-N 3.38Å; L187-T190 PolarHBondContact O-N 3.46Å; L187-L191 WeakPolarHBondContact O-CB 3.06Å; L187-L191 PolarHBondContact O-N 2.85Å
188	A	98.1	Very high	97.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-50.9	173.9	0	0	0	0	0	111.8	S175 N184 P185 L191 A192 W228	S175-A188 WeakPolarHBondContact CB-O 3.33Å; S175-A188 VanDerWaalsContact O-CB 3.28Å; S175-A188 WeakPolarHBondContact O-CB 3.18Å; N184-A188 WeakPolarHBondContact O-CB 3.28Å; N184-A188 PolarHBondContact O-N 2.87Å; N184-A188 VanDerWaalsContact O-N 3.09Å; P185-A188 PolarHBondContact O-N 3.48Å; A188-L191 PolarHBondContact O-N 3.44Å; A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.89Å; A188-W228 HydrophobicContact CB-CE3 4.16Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å
189	C	98.1	Very high	97.5	Very high	21 Å²	21	55.6 Å²	55.6	14%	0.142	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-42.8	178.5	-74	0	0	0	0	111.7	P185 E186 L191 A192 K193 L225	P185-C189 VanDerWaalsContact O-CB 3.31Å; P185-C189 WeakPolarHBondContact O-CB 3.48Å; P185-C189 PolarHBondContact O-N 3.34Å; P185-C189 PolarHBondContact O-SG 3.47Å; P185-C189 VanDerWaalsContact O-SG 3.35Å; E186-C189 PolarHBondContact O-N 3.08Å; C189-L191 PolarHBondContact O-N 3.36Å; C189-A192 PolarHBondContact O-N 2.86Å; C189-K193 WeakPolarHBondContact O-CB 3.38Å; C189-K193 PolarHBondContact O-N 2.97Å; C189-L225 HydrophobicContact CB-CD2 4.08Å; C189-L225 WeakPolarHBondContact O-CD2 3.5Å
190	T	98.1	Very high	97.5	Very high	76 Å²	76	56.9 Å²	56.9	47%	0.466	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-50.8	176.5	-62.1	0	0	0	0	110.8	E186 L187 K193 T194	E186-T190 WeakPolarHBondContact O-CB 3.42Å; E186-T190 PolarHBondContact O-N 2.94Å; E186-T190 PolarHBondContact O-OG1 3.49Å; L187-T190 PolarHBondContact O-N 3.46Å; T190-K193 PolarHBondContact O-N 3.38Å; T190-T194 WeakPolarHBondContact O-CB 3.26Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 3.43Å
191	L	98.4	Very high	97.5	Very high	19 Å²	19	56.3 Å²	56.3	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-48.1	180	177.8	62.6	0	0	0	112.2	F153 F174 Y178 L187 A188 C189 K193 T194 A195	F153-L191 HydrophobicContact CE1-CD1 4.31Å; F153-L191 HydrophobicContact CE2-CD1 3.59Å; F153-L191 HydrophobicContact CZ-CD1 3.42Å; F153-L191 VanDerWaalsContact CZ-CD1 3.42Å; F174-L191 HydrophobicContact CB-CD2 3.8Å; F174-L191 HydrophobicContact CD1-CD2 3.83Å; F174-L191 HydrophobicContact CG-CD2 3.85Å; Y178-L191 HydrophobicContact CD2-CD2 3.97Å; Y178-L191 HydrophobicContact CE2-CD2 3.84Å; L187-L191 WeakPolarHBondContact O-CB 3.06Å; L187-L191 PolarHBondContact O-N 2.85Å; A188-L191 PolarHBondContact O-N 3.44Å; C189-L191 PolarHBondContact O-N 3.36Å; L191-K193 PolarHBondContact O-N 2.89Å; L191-T194 PolarHBondContact O-N 3.05Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.16Å
192	A	98.4	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-42	-178.3	0	0	0	0	0	111.8	A188 C189 F196 L221 L225 W228	A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.89Å; C189-A192 PolarHBondContact O-N 2.86Å; A192-F196 WeakPolarHBondContact O-CB 3.31Å; A192-F196 PolarHBondContact O-N 3.42Å; A192-L221 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CD1 4.34Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.93Å; A192-W228 HydrophobicContact CB-CZ3 4.32Å
193	K	98.1	Very high	97.2	Very high	119 Å²	119	58.1 Å²	58.1	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-47.9	177.9	-176.7	175.4	-179.4	-177.4	0	111.7	C189 T190 L191 A195 F196 D197 L225	C189-K193 WeakPolarHBondContact O-CB 3.38Å; C189-K193 PolarHBondContact O-N 2.97Å; T190-K193 PolarHBondContact O-N 3.38Å; L191-K193 PolarHBondContact O-N 2.89Å; K193-A195 VanDerWaalsContact C-N 3.33Å; K193-A195 PolarHBondContact O-N 3.46Å; K193-F196 PolarHBondContact O-N 3.3Å; K193-D197 WeakPolarHBondContact CG-OD2 3.3Å; K193-D197 WeakPolarHBondContact O-CB 3.39Å; K193-D197 VanDerWaalsContact O-CG 3.29Å; K193-D197 PolarHBondContact O-N 3.15Å; K193-L225 HydrophobicContact CB-CD1 4.16Å; K193-L225 HydrophobicContact CB-CD2 4.11Å
194	T	98.4	Very high	97	Very high	58 Å²	58	59.5 Å²	59.5	36%	0.356	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-46.4	176.7	-63.2	0	0	0	0	111.5	T190 L191 F196 D197 E198	T190-T194 WeakPolarHBondContact O-CB 3.26Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 3.43Å; L191-T194 PolarHBondContact O-N 3.05Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 2.89Å; T194-D197 PolarHBondContact O-N 3.42Å; T194-E198 HydrophobicContact CG2-CG 4.21Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.36Å; T194-E198 WeakPolarHBondContact O-CB 3.18Å; T194-E198 VanDerWaalsContact O-CG 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.38Å; T194-E198 PolarHBondContact O-N 2.97Å
195	A	98.4	Very high	96.6	Very high	12 Å²	12	61.4 Å²	61.4	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-39.6	178.7	0	0	0	0	0	112.7	A171 L191 K193 A199 L221	A171-A195 HydrophobicContact CB-CB 3.45Å; A171-A195 VanDerWaalsContact CB-CB 3.45Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.16Å; K193-A195 VanDerWaalsContact C-N 3.33Å; K193-A195 PolarHBondContact O-N 3.46Å; A195-A199 VanDerWaalsContact O-CB 3.28Å; A195-A199 WeakPolarHBondContact O-CB 3.18Å; A195-A199 PolarHBondContact O-N 3.38Å; A195-A199 VanDerWaalsContact O-N 3.12Å; A195-L221 HydrophobicContact CB-CD1 4.34Å
196	F	98.1	Very high	96.2	Very high	36 Å²	36	60.9 Å²	60.9	16%	0.158	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-47.6	177.1	-176.3	-97.3	0	0	0	111.9	A192 K193 T194 A199 I200 M218 L221 R222	A192-F196 WeakPolarHBondContact O-CB 3.31Å; A192-F196 PolarHBondContact O-N 3.42Å; K193-F196 PolarHBondContact O-N 3.3Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 2.89Å; F196-A199 PolarHBondContact O-N 2.87Å; F196-I200 HydrophobicContact CD1-CD1 3.72Å; F196-I200 HydrophobicContact CD1-CG1 4.31Å; F196-I200 HydrophobicContact CE1-CD1 3.1Å; F196-I200 HydrophobicContact CE1-CG1 4.07Å; F196-I200 HydrophobicContact CE2-CD1 4.24Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.23Å; F196-I200 WeakPolarHBondContact O-CB 3.4Å; F196-I200 WeakPolarHBondContact O-CG1 3.42Å; F196-I200 PolarHBondContact O-N 3.13Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.49Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.24Å; F196-L221 HydrophobicContact CD2-CB 4.45Å; F196-R222 HydrophobicContact CD2-CB 4.4Å; F196-R222 HydrophobicContact CE2-CB 3.88Å; F196-R222 HydrophobicContact CZ-CB 4.2Å; F196-R222 HydrophobicContact CZ-CG 4.34Å
197	D	98.2	Very high	95.8	Very high	78 Å²	78	57.9 Å²	57.9	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-65.5	-43.5	-179	-69.1	-16	0	0	0	111.4	K193 T194 A199 I200 A201	K193-D197 WeakPolarHBondContact CG-OD2 3.3Å; K193-D197 WeakPolarHBondContact O-CB 3.39Å; K193-D197 VanDerWaalsContact O-CG 3.29Å; K193-D197 PolarHBondContact O-N 3.15Å; T194-D197 PolarHBondContact O-N 3.42Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.49Å; D197-I200 PolarHBondContact O-N 3.48Å; D197-A201 PolarHBondContact O-N 3.36Å
198	E	97.8	Very high	95.3	Very high	64 Å²	64	63.6 Å²	63.6	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-43.1	174.7	-72.6	177.3	176.8	0	0	111.5	P162 R167 T194 A201 E202	P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.31Å; R167-E198 IonicContact CZ-OE2 3.78Å; R167-E198 IonicContact NH2-OE2 3.55Å; R167-E198 PolarHBondContact NH2-OE2 3.1Å; T194-E198 HydrophobicContact CG2-CG 4.21Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.36Å; T194-E198 WeakPolarHBondContact O-CB 3.18Å; T194-E198 VanDerWaalsContact O-CG 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.38Å; T194-E198 PolarHBondContact O-N 2.97Å; E198-A201 PolarHBondContact O-N 2.84Å; E198-E202 PolarHBondContact O-N 2.88Å
199	A	97.2	Very high	94.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-72.4	-35	179.8	0	0	0	0	0	113.1	T163 L168 A195 F196 D197 A201 E202 L203 M218	T163-A199 HydrophobicContact CG2-CB 4.42Å; T163-A199 WeakPolarHBondContact CG2-O 3.47Å; L168-A199 HydrophobicContact CD2-CB 3.73Å; A195-A199 VanDerWaalsContact O-CB 3.28Å; A195-A199 WeakPolarHBondContact O-CB 3.18Å; A195-A199 PolarHBondContact O-N 3.38Å; A195-A199 VanDerWaalsContact O-N 3.12Å; F196-A199 PolarHBondContact O-N 2.87Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.49Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-E202 PolarHBondContact O-N 3.27Å; A199-L203 WeakPolarHBondContact O-CA 3.32Å; A199-L203 WeakPolarHBondContact O-CB 3.13Å; A199-L203 PolarHBondContact O-N 2.94Å; A199-M218 HydrophobicContact CB-CE 3.89Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.95Å
200	I	96.6	Very high	94.4	Very high	86 Å²	86	71.1 Å²	71.1	44%	0.441	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-44.6	172.2	-80.5	-170.7	0	0	0	110.8	F196 D197 E202 L203 M218	F196-I200 HydrophobicContact CD1-CD1 3.72Å; F196-I200 HydrophobicContact CD1-CG1 4.31Å; F196-I200 HydrophobicContact CE1-CD1 3.1Å; F196-I200 HydrophobicContact CE1-CG1 4.07Å; F196-I200 HydrophobicContact CE2-CD1 4.24Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.23Å; F196-I200 WeakPolarHBondContact O-CB 3.4Å; F196-I200 WeakPolarHBondContact O-CG1 3.42Å; F196-I200 PolarHBondContact O-N 3.13Å; D197-I200 PolarHBondContact O-N 3.48Å; I200-E202 PolarHBondContact O-N 2.86Å; I200-E202 VanDerWaalsContact O-N 3.16Å; I200-L203 WeakPolarHBondContact O-CB 3.41Å; I200-L203 PolarHBondContact O-N 3.47Å; I200-M218 HydrophobicContact CB-CE 4.39Å; I200-M218 HydrophobicContact CG1-CE 3.47Å; I200-M218 VanDerWaalsContact CG1-CE 3.47Å
201	A	96.8	Very high	94.1	Very high	86 Å²	86	73.3 Å²	73.3	71%	0.711	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-25.2	-177.2	0	0	0	0	0	113.2	D197 E198 A199	D197-A201 PolarHBondContact O-N 3.36Å; E198-A201 PolarHBondContact O-N 2.84Å; A199-A201 VanDerWaalsContact C-N 3.34Å
202	E	95.5	Very high	93.9	Very high	69 Å²	69	80.1 Å²	80.1	32%	0.322	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	9.6	-178.4	-65.1	-172.9	-155.7	0	0	113.4	Q161 P162 T163 E198 A199 I200 D204 T205	Q161-E202 PolarHBondContact OE1-OE2 2.87Å; P162-E202 WeakPolarHBondContact CD-OE2 3.31Å; T163-E202 HydrophobicContact CG2-CB 3.95Å; E198-E202 PolarHBondContact O-N 2.88Å; A199-E202 PolarHBondContact O-N 3.27Å; I200-E202 PolarHBondContact O-N 2.86Å; I200-E202 VanDerWaalsContact O-N 3.16Å; E202-D204 PolarHBondContact O-N 3.36Å; E202-T205 WeakPolarHBondContact O-CB 3.46Å; E202-T205 PolarHBondContact O-N 3.05Å; E202-T205 PolarHBondContact O-OG1 3.02Å
203	L	92.5	Very high	93.7	Very high	41 Å²	41	84.4 Å²	84.4	22%	0.215	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-59.6	-34.2	-172.7	-170.7	63.2	0	0	0	112.8	A199 I200 T205 L206 T215 M218	A199-L203 WeakPolarHBondContact O-CA 3.32Å; A199-L203 WeakPolarHBondContact O-CB 3.13Å; A199-L203 PolarHBondContact O-N 2.94Å; I200-L203 WeakPolarHBondContact O-CB 3.41Å; I200-L203 PolarHBondContact O-N 3.47Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.16Å; L203-L206 HydrophobicContact CD1-CD2 4.02Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.28Å; L203-L206 PolarHBondContact O-N 3.18Å; L203-L206 VanDerWaalsContact O-N 3.15Å; L203-T215 HydrophobicContact CD1-CG2 4.22Å; L203-M218 HydrophobicContact CD1-CE 4.3Å; L203-M218 HydrophobicContact CD1-SD 3.93Å
204	D	91.3	Very high	93.7	Very high	170 Å²	170	78.7 Å²	78.7	91%	0.909	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-65.5	-14.7	178.4	-67.2	-23.7	0	0	0	113.5	E202	E202-D204 PolarHBondContact O-N 3.36Å
205	T	88	Confident	93.6	Very high	98 Å²	98	78 Å²	78	60%	0.601	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-88.3	-7.6	178.1	72.1	0	0	0	0	113.3	E202 L203	E202-T205 WeakPolarHBondContact O-CB 3.46Å; E202-T205 PolarHBondContact O-N 3.05Å; E202-T205 PolarHBondContact O-OG1 3.02Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.16Å
206	L	88.3	Confident	93.6	Very high	27 Å²	27	82.2 Å²	82.2	14%	0.141	43%	0.429	C	S	.	.			trans	-74.6	134.4	-170.9	-167.7	57.2	0	0	0	111.7	L203 Y211	L203-L206 HydrophobicContact CD1-CD2 4.02Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.28Å; L203-L206 PolarHBondContact O-N 3.18Å; L203-L206 VanDerWaalsContact O-N 3.15Å; L206-Y211 HydrophobicContact CB-CD2 4.46Å; L206-Y211 HydrophobicContact CD2-CD2 4.07Å; L206-Y211 HydrophobicContact CG-CD2 4.44Å
207	N	87.6	Confident	93.6	Very high	90 Å²	90	81.8 Å²	81.8	48%	0.481	43%	0.429	S	S	.	.			trans	-74.2	158	174.9	64	38.6	0	0	0	112.2	D209 S210 Y211	N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3Å; N207-D209 PolarHBondContact OD1-N 3.49Å; N207-S210 PolarHBondContact O-N 3.44Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.05Å; N207-S210 PolarHBondContact OD1-OG 3.48Å; N207-Y211 WeakPolarHBondContact O-CB 3.24Å; N207-Y211 PolarHBondContact O-N 3.01Å; N207-Y211 VanDerWaalsContact O-N 3.08Å
208	E	86.8	Confident	93.5	Very high	185 Å²	185	78.6 Å²	78.6	86%	0.864	41%	0.411	S	S	*	.	H	α-helix	trans	-58.9	-36.8	-178.7	-68.1	-175.5	176.4	0	0	112.6	S210 Y211	E208-S210 VanDerWaalsContact C-N 3.35Å; E208-S210 PolarHBondContact O-N 3.5Å; E208-Y211 PolarHBondContact O-N 3.01Å
209	D	87	Confident	93.6	Very high	150 Å²	150	78.4 Å²	78.4	80%	0.802	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-36.4	-177.1	-66.8	-29	0	0	0	112.9	N207	N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3Å; N207-D209 PolarHBondContact OD1-N 3.49Å
210	S	90.5	Very high	93.6	Very high	30 Å²	30	82 Å²	82	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-95.7	-14.7	-179	-54.1	0	0	0	0	113	N207 E208 K212 D213 S214	N207-S210 PolarHBondContact O-N 3.44Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.35Å; N207-S210 PolarHBondContact OD1-N 3.05Å; N207-S210 PolarHBondContact OD1-OG 3.48Å; E208-S210 VanDerWaalsContact C-N 3.35Å; E208-S210 PolarHBondContact O-N 3.5Å; S210-K212 VanDerWaalsContact C-N 3.34Å; S210-K212 PolarHBondContact O-N 3.5Å; S210-D213 PolarHBondContact O-N 2.95Å; S210-S214 PolarHBondContact O-N 3.49Å; S210-S214 PolarHBondContact O-OG 2.87Å
211	Y	92.3	Very high	93.7	Very high	122 Å²	122	77.9 Å²	77.9	48%	0.478	41%	0.408	S	S	.	.	H	α-helix	trans	-53.7	-48.5	-171.8	-171.1	-90.9	0	0	0	112.8	L206 N207 E208 T215	L206-Y211 HydrophobicContact CB-CD2 4.46Å; L206-Y211 HydrophobicContact CD2-CD2 4.07Å; L206-Y211 HydrophobicContact CG-CD2 4.44Å; N207-Y211 WeakPolarHBondContact O-CB 3.24Å; N207-Y211 PolarHBondContact O-N 3.01Å; N207-Y211 VanDerWaalsContact O-N 3.08Å; E208-Y211 PolarHBondContact O-N 3.01Å; Y211-T215 HydrophobicContact CD1-CG2 4.18Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.27Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 PolarHBondContact O-OG1 2.99Å
212	K	94.4	Very high	93.7	Very high	162 Å²	162	79.3 Å²	79.3	70%	0.704	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-44.1	-177.8	-175.6	-178.2	175.2	-173.6	0	112.4	S210 T215 L216	S210-K212 VanDerWaalsContact C-N 3.34Å; S210-K212 PolarHBondContact O-N 3.5Å; K212-T215 PolarHBondContact O-OG1 2.98Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 PolarHBondContact O-N 3.04Å; K212-L216 VanDerWaalsContact O-N 3.14Å
213	D	95	Very high	93.9	Very high	89 Å²	89	79.3 Å²	79.3	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-71.9	-44.6	-176.6	-71.9	-13.6	0	0	0	111.1	P165 S210 L216 I217	P165-D213 HydrophobicContact CB-CB 4.14Å; P165-D213 HydrophobicContact CG-CB 4.12Å; S210-D213 PolarHBondContact O-N 2.95Å; D213-L216 PolarHBondContact O-N 3.48Å; D213-I217 WeakPolarHBondContact O-CD1 3.44Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.47Å; D213-I217 PolarHBondContact O-N 3.12Å; D213-I217 VanDerWaalsContact O-N 3.07Å
214	S	96.6	Very high	94.1	Very high	0 Å²	0	79 Å²	79	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-46.2	178.3	-61.3	0	0	0	0	112.2	T163 P165 S210 L216 I217 M218	T163-S214 WeakPolarHBondContact O-CB 3.22Å; T163-S214 PolarHBondContact O-OG 2.89Å; P165-S214 WeakPolarHBondContact CD-OG 3.38Å; P165-S214 WeakPolarHBondContact CG-OG 3.26Å; S210-S214 PolarHBondContact O-N 3.49Å; S210-S214 PolarHBondContact O-OG 2.87Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.45Å; S214-I217 PolarHBondContact O-N 3.48Å; S214-I217 VanDerWaalsContact O-N 3.15Å; S214-M218 VanDerWaalsContact O-CG 3.26Å; S214-M218 WeakPolarHBondContact O-CG 3.5Å; S214-M218 PolarHBondContact O-N 3.5Å
215	T	96.8	Very high	94.3	Very high	43 Å²	43	72.2 Å²	72.2	26%	0.264	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-36.7	179.7	52.1	0	0	0	0	112.3	L203 Y211 K212 M218 Q219	L203-T215 HydrophobicContact CD1-CG2 4.22Å; Y211-T215 HydrophobicContact CD1-CG2 4.18Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.27Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 PolarHBondContact O-OG1 2.99Å; K212-T215 PolarHBondContact O-OG1 2.98Å; T215-M218 PolarHBondContact O-N 3.32Å; T215-Q219 WeakPolarHBondContact O-CB 3.29Å; T215-Q219 PolarHBondContact O-N 3.44Å
216	L	97.5	Very high	94.7	Very high	100 Å²	100	71.7 Å²	71.7	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.9	172.1	178.7	62.2	0	0	0	111.7	K212 D213 S214 Q219 L220	K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 PolarHBondContact O-N 3.04Å; K212-L216 VanDerWaalsContact O-N 3.14Å; D213-L216 PolarHBondContact O-N 3.48Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.45Å; L216-Q219 WeakPolarHBondContact O-CB 3.3Å; L216-Q219 PolarHBondContact O-N 3.21Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 2.85Å; L216-L220 VanDerWaalsContact O-N 3.14Å
217	I	98.1	Very high	95	Very high	28 Å²	28	74.8 Å²	74.8	14%	0.144	37%	0.372	C	S	.	.	H	α-helix	trans	-69.8	-40.1	178.8	-62	164.3	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 3.28Å; P165-I217 WeakPolarHBondContact O-CD1 3.42Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.48Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L172-I217 HydrophobicContact CB-CG2 4.3Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CD1 3.44Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.47Å; D213-I217 PolarHBondContact O-N 3.12Å; D213-I217 VanDerWaalsContact O-N 3.07Å; S214-I217 PolarHBondContact O-N 3.48Å; S214-I217 VanDerWaalsContact O-N 3.15Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 3.01Å; I217-L220 WeakPolarHBondContact O-CB 3.28Å; I217-L220 PolarHBondContact O-N 3.15Å; I217-L220 VanDerWaalsContact O-N 3.15Å; I217-L221 PolarHBondContact O-N 3.16Å
218	M	98.1	Very high	95.4	Very high	10 Å²	10	70.8 Å²	70.8	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-39	174	-70.3	170	72.3	0	0	111.6	L168 F196 A199 I200 L203 S214 T215 L221 R222	L168-M218 HydrophobicContact CD1-CG 3.92Å; L168-M218 HydrophobicContact CD1-SD 4.38Å; L168-M218 HydrophobicContact CD2-CG 4.12Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.49Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.24Å; A199-M218 HydrophobicContact CB-CE 3.89Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.95Å; I200-M218 HydrophobicContact CB-CE 4.39Å; I200-M218 HydrophobicContact CG1-CE 3.47Å; I200-M218 VanDerWaalsContact CG1-CE 3.47Å; L203-M218 HydrophobicContact CD1-CE 4.3Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; S214-M218 VanDerWaalsContact O-CG 3.26Å; S214-M218 WeakPolarHBondContact O-CG 3.5Å; S214-M218 PolarHBondContact O-N 3.5Å; T215-M218 PolarHBondContact O-N 3.32Å; M218-L221 WeakPolarHBondContact O-CB 3.48Å; M218-L221 PolarHBondContact O-N 3.01Å; M218-R222 PolarHBondContact O-N 3.06Å
219	Q	98.1	Very high	95.5	Very high	61 Å²	61	65.7 Å²	65.7	29%	0.285	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-46	173.5	177.8	55.7	32.2	0	0	111.6	T215 L216 I217 L221 R222 D223	T215-Q219 WeakPolarHBondContact O-CB 3.29Å; T215-Q219 PolarHBondContact O-N 3.44Å; L216-Q219 WeakPolarHBondContact O-CB 3.3Å; L216-Q219 PolarHBondContact O-N 3.21Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 3.01Å; Q219-L221 PolarHBondContact O-N 3.24Å; Q219-R222 WeakPolarHBondContact O-CB 3.33Å; Q219-R222 PolarHBondContact O-N 3.39Å; Q219-D223 PolarHBondContact NE2-OD1 2.94Å; Q219-D223 PolarHBondContact NE2-OD2 3.35Å; Q219-D223 PolarHBondContact O-N 3.44Å
220	L	98.4	Very high	95.5	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-39.2	176.7	-65.7	171.7	0	0	0	112.6	L172 L216 I217 D223 N224	L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.9Å; L172-L220 HydrophobicContact CD2-CD1 3.91Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 2.85Å; L216-L220 VanDerWaalsContact O-N 3.14Å; I217-L220 WeakPolarHBondContact O-CB 3.28Å; I217-L220 PolarHBondContact O-N 3.15Å; I217-L220 VanDerWaalsContact O-N 3.15Å; L220-D223 PolarHBondContact O-N 3.31Å; L220-N224 PolarHBondContact O-N 2.68Å
221	L	98.4	Very high	94.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-46	173.7	-78.2	167.9	0	0	0	111.4	L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225	L168-L221 HydrophobicContact CD2-CD1 4.01Å; L172-L221 HydrophobicContact CB-CD2 3.9Å; L172-L221 HydrophobicContact CB-CG 4.22Å; L172-L221 HydrophobicContact CD1-CD2 3.96Å; L172-L221 HydrophobicContact CD1-CG 4.18Å; A192-L221 HydrophobicContact CB-CD2 3.87Å; A195-L221 HydrophobicContact CB-CD1 4.34Å; F196-L221 HydrophobicContact CD2-CB 4.45Å; I217-L221 PolarHBondContact O-N 3.16Å; M218-L221 WeakPolarHBondContact O-CB 3.48Å; M218-L221 PolarHBondContact O-N 3.01Å; Q219-L221 PolarHBondContact O-N 3.24Å; L221-N224 PolarHBondContact O-N 3.22Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.4Å
222	R	97.7	Very high	93.9	Very high	116 Å²	116	59.4 Å²	59.4	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-41.5	177.6	-172.6	-173.3	73.8	-173.9	7.4	112.5	F196 M218 Q219 L225 T226	F196-R222 HydrophobicContact CD2-CB 4.4Å; F196-R222 HydrophobicContact CE2-CB 3.88Å; F196-R222 HydrophobicContact CZ-CB 4.2Å; F196-R222 HydrophobicContact CZ-CG 4.34Å; M218-R222 PolarHBondContact O-N 3.06Å; Q219-R222 WeakPolarHBondContact O-CB 3.33Å; Q219-R222 PolarHBondContact O-N 3.39Å; R222-L225 PolarHBondContact O-N 3.44Å; R222-T226 PolarHBondContact O-N 3.42Å; R222-T226 PolarHBondContact O-OG1 2.87Å
223	D	97.9	Very high	92.4	Very high	69 Å²	69	54.1 Å²	54.1	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-41.3	-179	-65	-12.2	0	0	0	110.6	Q219 L220 T226 L227	Q219-D223 PolarHBondContact NE2-OD1 2.94Å; Q219-D223 PolarHBondContact NE2-OD2 3.35Å; Q219-D223 PolarHBondContact O-N 3.44Å; L220-D223 PolarHBondContact O-N 3.31Å; D223-T226 PolarHBondContact O-N 3.29Å; D223-L227 PolarHBondContact O-N 3.5Å
224	N	96.8	Very high	90.6	Very high	35 Å²	35	51.6 Å²	51.6	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-45.2	171.8	-78.4	2.1	0	0	0	112.4	L172 L220 L221 T226 L227 W228	L172-N224 VanDerWaalsContact CD1-ND2 3.31Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.27Å; L220-N224 PolarHBondContact O-N 2.68Å; L221-N224 PolarHBondContact O-N 3.22Å; N224-T226 VanDerWaalsContact C-N 3.26Å; N224-T226 PolarHBondContact O-N 3.43Å; N224-L227 PolarHBondContact O-N 3.14Å; N224-W228 HydrophobicContact CB-CD2 4.2Å; N224-W228 HydrophobicContact CB-CE3 4.09Å; N224-W228 HydrophobicContact CB-CH2 3.69Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.83Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.3Å; N224-W228 WeakPolarHBondContact O-CB 3.45Å; N224-W228 VanDerWaalsContact O-CD2 3.27Å; N224-W228 PolarHBondContact O-N 2.96Å
225	L	96.7	Very high	88.6	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-40.9	176.6	-76.7	167.8	0	0	0	111.8	C189 A192 K193 L221 R222 T229	C189-L225 HydrophobicContact CB-CD2 4.08Å; C189-L225 WeakPolarHBondContact O-CD2 3.5Å; A192-L225 HydrophobicContact CB-CD1 4.34Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.93Å; K193-L225 HydrophobicContact CB-CD1 4.16Å; K193-L225 HydrophobicContact CB-CD2 4.11Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.4Å; R222-L225 PolarHBondContact O-N 3.44Å; L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.4Å; L225-T229 PolarHBondContact O-N 3.4Å; L225-T229 PolarHBondContact O-OG1 3.49Å
226	T	95.9	Very high	86.3	Confident	87 Å²	87	63.2 Å²	63.2	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-46.2	178.7	-59.1	0	0	0	0	110.9	R222 D223 N224 T229 S230	R222-T226 PolarHBondContact O-N 3.42Å; R222-T226 PolarHBondContact O-OG1 2.87Å; D223-T226 PolarHBondContact O-N 3.29Å; N224-T226 VanDerWaalsContact C-N 3.26Å; N224-T226 PolarHBondContact O-N 3.43Å; T226-T229 PolarHBondContact O-OG1 3.13Å; T226-S230 PolarHBondContact O-N 3.46Å; T226-S230 VanDerWaalsContact O-N 3.13Å; T226-S230 PolarHBondContact O-OG 2.83Å
227	L	94.5	Very high	83.8	Confident	92 Å²	92	62.4 Å²	62.4	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-51.8	178.3	-179.6	65.3	0	0	0	111.9	D223 N224 T229 S230 D231	D223-L227 PolarHBondContact O-N 3.5Å; N224-L227 PolarHBondContact O-N 3.14Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.38Å; L227-S230 PolarHBondContact O-N 3.5Å; L227-S230 PolarHBondContact O-OG 3.29Å; L227-D231 PolarHBondContact O-N 2.93Å; L227-D231 VanDerWaalsContact O-N 3.11Å
228	W	95.1	Very high	81.2	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.027	37%	0.371	C	S	.	.	H	α-helix	trans	-71.2	-30.3	-174	-57.8	-26.8	0	0	0	113.1	V176 Y179 A188 A192 N224 S232	V176-W228 HydrophobicContact CG2-CH2 3.99Å; V176-W228 HydrophobicContact CG2-CZ2 3.95Å; Y179-W228 AromaticContact CD1-CD1 3.97Å; Y179-W228 HydrophobicContact CD1-CZ2 4.5Å; Y179-W228 AromaticContact CD1-NE1 3.5Å; Y179-W228 HydrophobicContact CD2-CB 4.03Å; Y179-W228 AromaticContact CD2-CD1 3.47Å; Y179-W228 VanDerWaalsContact CD2-CD1 3.47Å; Y179-W228 AromaticContact CD2-CD2 3.75Å; Y179-W228 HydrophobicContact CD2-CD2 3.75Å; Y179-W228 AromaticContact CD2-CE2 3.87Å; Y179-W228 AromaticContact CD2-CG 3.49Å; Y179-W228 HydrophobicContact CD2-CG 3.49Å; Y179-W228 VanDerWaalsContact CD2-CG 3.49Å; Y179-W228 AromaticContact CD2-NE1 3.67Å; Y179-W228 AromaticContact CE1-CD1 3.7Å; Y179-W228 AromaticContact CE1-NE1 3.58Å; Y179-W228 HydrophobicContact CE2-CB 3.75Å; Y179-W228 AromaticContact CE2-CD1 3.16Å; Y179-W228 HydrophobicContact CE2-CD2 4.19Å; 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 3.75Å; Y179-W228 AromaticContact CG-CD1 3.86Å; Y179-W228 HydrophobicContact CG-CD2 4.05Å; Y179-W228 AromaticContact CG-CE2 3.68Å; Y179-W228 HydrophobicContact CG-CG 4.14Å; Y179-W228 HydrophobicContact CG-CZ2 4.17Å; Y179-W228 AromaticContact CG-NE1 3.55Å; Y179-W228 AromaticContact CZ-CD1 3.29Å; Y179-W228 AromaticContact CZ-NE1 3.7Å; A188-W228 HydrophobicContact CB-CE3 4.16Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å; A192-W228 HydrophobicContact CB-CZ3 4.32Å; N224-W228 HydrophobicContact CB-CD2 4.2Å; N224-W228 HydrophobicContact CB-CE3 4.09Å; N224-W228 HydrophobicContact CB-CH2 3.69Å; N224-W228 HydrophobicContact CB-CZ2 3.79Å; N224-W228 HydrophobicContact CB-CZ3 3.83Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.3Å; N224-W228 WeakPolarHBondContact O-CB 3.45Å; N224-W228 VanDerWaalsContact O-CD2 3.27Å; N224-W228 PolarHBondContact O-N 2.96Å; W228-S232 PolarHBondContact O-N 3.43Å; W228-S232 PolarHBondContact O-OG 3.2Å
229	T	90.6	Very high	78.7	Confident	78 Å²	78	70 Å²	70	48%	0.479	40%	0.398	S	S	.	.	H	α-helix	trans	-76	-29.5	174.9	53.7	0	0	0	0	112.6	L225 T226 L227 A233	L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.4Å; L225-T229 PolarHBondContact O-N 3.4Å; L225-T229 PolarHBondContact O-OG1 3.49Å; T226-T229 PolarHBondContact O-OG1 3.13Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.38Å; T229-A233 PolarHBondContact O-N 3.07Å
230	S	87.1	Confident	76.3	Confident	65 Å²	65	70.4 Å²	70.4	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-70.2	-36.2	171.4	55.5	0	0	0	0	113.1	T226 L227 A233 G234	T226-S230 PolarHBondContact O-N 3.46Å; T226-S230 VanDerWaalsContact O-N 3.13Å; T226-S230 PolarHBondContact O-OG 2.83Å; L227-S230 PolarHBondContact O-N 3.5Å; L227-S230 PolarHBondContact O-OG 3.29Å; S230-A233 PolarHBondContact O-N 2.91Å; S230-G234 PolarHBondContact O-N 3.36Å
231	D	77.7	Confident	73.7	Confident	64 Å²	64	74.7 Å²	74.7	34%	0.342	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-44	178.8	-67.2	-20.2	0	0	0	111.1	Y179 L227 A233 G234 E235	Y179-D231 PolarHBondContact OH-OD2 3.24Å; L227-D231 PolarHBondContact O-N 2.93Å; L227-D231 VanDerWaalsContact O-N 3.11Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 2.89Å; D231-G234 PolarHBondContact O-N 3.23Å; D231-E235 PolarHBondContact O-N 2.97Å; D231-E235 VanDerWaalsContact O-N 3.15Å
232	S	69.6	Low	71	Confident	40 Å²	40	78 Å²	78	28%	0.28	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-34.9	177.1	-61.3	0	0	0	0	113.2	W228 G234 E235 E236	W228-S232 PolarHBondContact O-N 3.43Å; W228-S232 PolarHBondContact O-OG 3.2Å; S232-G234 VanDerWaalsContact C-N 3.33Å; S232-E235 PolarHBondContact O-N 3.12Å; S232-E236 PolarHBondContact O-N 2.76Å; S232-E236 VanDerWaalsContact O-N 3.15Å
233	A	64.1	Low	68.3	Low	52 Å²	52	76.6 Å²	76.6	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-30.9	175.4	0	0	0	0	0	112.7	T229 S230 D231 C237	T229-A233 PolarHBondContact O-N 3.07Å; S230-A233 PolarHBondContact O-N 2.91Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 2.89Å; A233-C237 PolarHBondContact O-N 3.45Å
234	G	56.5	Low	65.4	Low	35 Å²	35	81.5 Å²	81.5	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-68.8	-43.6	173.9	0	0	0	0	0	112.7	S230 D231 S232 E236 C237 D238	S230-G234 PolarHBondContact O-N 3.36Å; D231-G234 PolarHBondContact O-N 3.23Å; S232-G234 VanDerWaalsContact C-N 3.33Å; G234-E236 PolarHBondContact O-N 2.83Å; G234-C237 PolarHBondContact O-N 2.74Å; G234-D238 PolarHBondContact O-N 2.95Å; G234-D238 VanDerWaalsContact O-N 3.08Å
235	E	54.4	Low	62.7	Low	141 Å²	141	91.4 Å²	91.4	66%	0.659	55%	0.551	S	S	*	*	H	α-helix	trans	-66.1	-35.3	177.5	-69	-177.7	172.3	0	0	112.7	D231 S232 D238 A239	D231-E235 PolarHBondContact O-N 2.97Å; D231-E235 VanDerWaalsContact O-N 3.15Å; S232-E235 PolarHBondContact O-N 3.12Å; E235-D238 PolarHBondContact O-N 3.18Å; E235-A239 WeakPolarHBondContact O-CB 3.4Å; E235-A239 PolarHBondContact O-N 3.08Å
236	E	49.7	Very low	61	Low	147 Å²	147	94.7 Å²	94.7	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-67	-35.2	173.7	-76.1	-177	179.1	0	0	112.7	S232 G234 A240	S232-E236 PolarHBondContact O-N 2.76Å; S232-E236 VanDerWaalsContact O-N 3.15Å; G234-E236 PolarHBondContact O-N 2.83Å; E236-A240 WeakPolarHBondContact O-CB 3.41Å; E236-A240 PolarHBondContact O-N 3.16Å; E236-A240 VanDerWaalsContact O-N 3.14Å
237	C	44.7	Very low	59.2	Low	82 Å²	82	95.1 Å²	95.1	55%	0.554	57%	0.574	S	S	*	*	H	α-helix	trans	-68.1	-43.1	174.4	-85.1	0	0	0	0	112.2	A233 G234 A239 A240 E241	A233-C237 PolarHBondContact O-N 3.45Å; G234-C237 PolarHBondContact O-N 2.74Å; C237-A239 VanDerWaalsContact C-N 3.33Å; C237-A239 PolarHBondContact O-N 2.97Å; C237-A240 PolarHBondContact O-N 3.49Å; C237-E241 PolarHBondContact O-N 2.65Å
238	D	43.4	Very low	57.2	Low	122 Å²	122	95.2 Å²	95.2	65%	0.652	58%	0.579	S	S	*	*	H	α-helix	trans	-68.3	-32.4	177.9	-74.7	-14.8	0	0	0	112.1	G234 E235	G234-D238 PolarHBondContact O-N 2.95Å; G234-D238 VanDerWaalsContact O-N 3.08Å; E235-D238 PolarHBondContact O-N 3.18Å
239	A	46.2	Very low	55	Low	75 Å²	75	100.4 Å²	100.4	62%	0.62	61%	0.612	S	S	*	*	H	α-helix	trans	-70.9	-30.2	174.1	0	0	0	0	0	113	E235 C237	E235-A239 WeakPolarHBondContact O-CB 3.4Å; E235-A239 PolarHBondContact O-N 3.08Å; C237-A239 VanDerWaalsContact C-N 3.33Å; C237-A239 PolarHBondContact O-N 2.97Å
240	A	46.3	Very low	52.7	Low	70 Å²	70	101.8 Å²	101.8	58%	0.579	62%	0.62	S	S	*	*	H	α-helix	trans	-74.5	-32.6	177.5	0	0	0	0	0	112.8	E236 C237 G242	E236-A240 WeakPolarHBondContact O-CB 3.41Å; E236-A240 PolarHBondContact O-N 3.16Å; E236-A240 VanDerWaalsContact O-N 3.14Å; C237-A240 PolarHBondContact O-N 3.49Å; A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 3.42Å
241	E	44.4	Very low	50.5	Low	165 Å²	165	104.3 Å²	104.3	77%	0.771	63%	0.631	S	S	*	*	H	α-helix	trans	-76	-11.2	177.1	-69.9	-168	172.3	0	0	113.7	C237	C237-E241 PolarHBondContact O-N 2.65Å
242	G	41.7	Very low	48.5	Very low	69 Å²	69	107.1 Å²	107.1	71%	0.711	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-4.6	177.4	0	0	0	0	0	116	A240	A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 3.42Å
243	A	41.8	Very low	46.9	Very low	86 Å²	86	112.3 Å²	112.3	71%	0.711	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	5.9	-173.5	0	0	0	0	0	115
244	E	36.6	Very low	45.4	Very low	172 Å²	172	117.3 Å²	117.3	80%	0.804	70%	0.701	S	S	*	*			trans	-108.9	86.4	172.2	-68.4	-168.8	167.3	0	0	110.3
245	N	39.8	Very low	44.4	Very low	244 Å²	244	124.8 Å²	124.8	100%	1.305	73%	0.732	S	S	*	*			trans	-174.9	0	144.3	-87.2	-36.4	0	0	0	112.2

Retrieved 245 of 245 residues in 542.1 ms (Link to these results)

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