A0A077Z724_TRITR Loading...

Stress-induced-phosphoprotein 1

AlphaFold DB , UniProt , Accession A0A077Z724, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 449 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83.7	Confident	89.6	Confident	82 Å²	82	68.9 Å²	68.9	40%	0.404	37%	0.367	S	S	.	.				0	-62.1	0	-65.7	179.2	172.8	0	0	112.3	E3 Q4 G5 K23 A24 K27	M1-E3 PolarHBondContact O-N 3.12Å; M1-Q4 VanDerWaalsContact CA-OE1 3.25Å; M1-Q4 VanDerWaalsContact N-OE1 3.09Å; M1-Q4 PolarHBondContact O-N 3.42Å; M1-G5 PolarHBondContact O-N 2.97Å; M1-K23 HydrophobicContact CE-CB 4.27Å; M1-K23 HydrophobicContact SD-CB 3.91Å; M1-A24 HydrophobicContact CB-CB 3.9Å; M1-K27 HydrophobicContact SD-CD 4.02Å
2	K	86	Confident	89.6	Confident	86 Å²	86	65.9 Å²	65.9	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-53	-50.5	176.6	-173.3	-168.1	73.2	179.5	0	113.2	Q4 G5 N6 L34	K2-Q4 PolarHBondContact O-N 2.73Å; K2-G5 PolarHBondContact O-N 2.66Å; K2-N6 VanDerWaalsContact O-CG 3.22Å; K2-N6 PolarHBondContact O-N 3.46Å; K2-N6 PolarHBondContact O-OD1 3.22Å; K2-L34 HydrophobicContact CB-CD2 3.87Å; K2-L34 HydrophobicContact CD-CD2 4.19Å; K2-L34 HydrophobicContact CG-CD2 3.73Å
3	E	90.4	Very high	89.9	Confident	113 Å²	113	68.5 Å²	68.5	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-41.6	-179.7	-62.8	-50.5	141.2	0	0	112.6	M1 G5 N6 T7	M1-E3 PolarHBondContact O-N 3.12Å; E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 2.96Å; E3-N6 WeakPolarHBondContact O-CB 3.34Å; E3-N6 PolarHBondContact O-N 3.49Å; E3-N6 VanDerWaalsContact O-N 3.11Å; E3-N6 PolarHBondContact OE2-ND2 2.9Å; E3-T7 PolarHBondContact O-N 3.21Å; E3-T7 PolarHBondContact O-OG1 3.34Å; E3-T7 VanDerWaalsContact O-OG1 3.13Å
4	Q	91.8	Very high	90	Very high	108 Å²	108	68.7 Å²	68.7	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-41.4	173.8	-66	163.7	-45.8	0	0	111.3	M1 K2 N6 T7 A8 L20	M1-Q4 VanDerWaalsContact CA-OE1 3.25Å; M1-Q4 VanDerWaalsContact N-OE1 3.09Å; M1-Q4 PolarHBondContact O-N 3.42Å; K2-Q4 PolarHBondContact O-N 2.73Å; Q4-N6 VanDerWaalsContact C-N 3.32Å; Q4-N6 PolarHBondContact O-N 3.1Å; Q4-T7 PolarHBondContact O-N 2.97Å; Q4-A8 WeakPolarHBondContact O-CB 3.39Å; Q4-A8 PolarHBondContact O-N 3.24Å; Q4-L20 HydrophobicContact CB-CD1 3.9Å; Q4-L20 HydrophobicContact CB-CD2 4.11Å
5	G	91.6	Very high	90.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-39.1	174.9	0	0	0	0	0	112.2	M1 K2 E3 A8 L9 Y21	M1-G5 PolarHBondContact O-N 2.97Å; K2-G5 PolarHBondContact O-N 2.66Å; E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 2.96Å; G5-A8 PolarHBondContact O-N 3.15Å; G5-L9 VanDerWaalsContact O-CB 3.3Å; G5-L9 WeakPolarHBondContact O-CB 3.43Å; G5-L9 PolarHBondContact O-N 3.38Å; G5-Y21 VanDerWaalsContact C-CZ 3.42Å; G5-Y21 PolarHBondContact O-OH 3.37Å
6	N	89	Confident	90.8	Very high	49 Å²	49	71.3 Å²	71.3	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175.1	-62.4	-17.5	0	0	0	111.6	K2 E3 Q4 L9 A10 Y21 N37	K2-N6 VanDerWaalsContact O-CG 3.22Å; K2-N6 PolarHBondContact O-N 3.46Å; K2-N6 PolarHBondContact O-OD1 3.22Å; E3-N6 WeakPolarHBondContact O-CB 3.34Å; E3-N6 PolarHBondContact O-N 3.49Å; E3-N6 VanDerWaalsContact O-N 3.11Å; E3-N6 PolarHBondContact OE2-ND2 2.9Å; Q4-N6 VanDerWaalsContact C-N 3.32Å; Q4-N6 PolarHBondContact O-N 3.1Å; N6-L9 PolarHBondContact O-N 3.24Å; N6-A10 WeakPolarHBondContact O-CB 3.37Å; N6-A10 PolarHBondContact O-N 3.11Å; N6-Y21 VanDerWaalsContact CA-OH 3.3Å; N6-Y21 WeakPolarHBondContact CA-OH 3.37Å; N6-Y21 PolarHBondContact N-OH 3.48Å; N6-Y21 WeakPolarHBondContact OD1-CE1 3.41Å; N6-Y21 PolarHBondContact OD1-OH 3.39Å; N6-N37 PolarHBondContact OD1-ND2 3.18Å; N6-N37 VanDerWaalsContact OD1-ND2 3.12Å
7	T	92.7	Very high	91	Very high	76 Å²	76	67.1 Å²	67.1	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-51.2	174.8	-56.7	0	0	0	0	111.1	E3 Q4 L9 A10 E11	E3-T7 PolarHBondContact O-N 3.21Å; E3-T7 PolarHBondContact O-OG1 3.34Å; E3-T7 VanDerWaalsContact O-OG1 3.13Å; Q4-T7 PolarHBondContact O-N 2.97Å; T7-L9 VanDerWaalsContact C-N 3.27Å; T7-L9 PolarHBondContact O-N 3.19Å; T7-A10 PolarHBondContact O-N 3.21Å; T7-A10 VanDerWaalsContact O-N 3.1Å; T7-E11 HydrophobicContact CG2-CG 4.49Å; T7-E11 WeakPolarHBondContact CG2-OE1 3.34Å; T7-E11 WeakPolarHBondContact O-CG 3.41Å; T7-E11 PolarHBondContact O-N 2.75Å
8	A	91.9	Very high	91.4	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-39.6	177.8	0	0	0	0	0	112.1	Q4 G5 E11 G12 K13 E16 A17 L20	Q4-A8 WeakPolarHBondContact O-CB 3.39Å; Q4-A8 PolarHBondContact O-N 3.24Å; G5-A8 PolarHBondContact O-N 3.15Å; A8-E11 PolarHBondContact O-N 3.04Å; A8-G12 PolarHBondContact O-N 3.1Å; A8-K13 HydrophobicContact CB-CB 4.28Å; A8-K13 WeakPolarHBondContact O-CA 3.37Å; A8-K13 WeakPolarHBondContact O-CB 3.25Å; A8-K13 PolarHBondContact O-N 3.11Å; A8-E16 HydrophobicContact CB-CB 4.26Å; A8-E16 HydrophobicContact CB-CG 4.18Å; A8-A17 HydrophobicContact CB-CB 3.97Å; A8-L20 HydrophobicContact CB-CD1 4.08Å
9	L	85.1	Confident	91.7	Very high	42 Å²	42	67.2 Å²	67.2	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-64.9	-41.8	176.3	-174.8	62.4	0	0	0	112	G5 N6 T7 E11 G12 Y14 A17 Y21 A41 K44	G5-L9 VanDerWaalsContact O-CB 3.3Å; G5-L9 WeakPolarHBondContact O-CB 3.43Å; G5-L9 PolarHBondContact O-N 3.38Å; N6-L9 PolarHBondContact O-N 3.24Å; T7-L9 VanDerWaalsContact C-N 3.27Å; T7-L9 PolarHBondContact O-N 3.19Å; L9-E11 VanDerWaalsContact C-N 3.31Å; L9-G12 PolarHBondContact O-N 3.3Å; L9-Y14 HydrophobicContact CD1-CD1 4.01Å; L9-Y14 HydrophobicContact CD1-CE1 4.48Å; L9-A17 HydrophobicContact CB-CB 3.98Å; L9-Y21 HydrophobicContact CD2-CE2 4.49Å; L9-A41 HydrophobicContact CD1-CB 3.88Å; L9-K44 HydrophobicContact CD1-CG 4.46Å
10	A	90.5	Very high	92	Very high	91 Å²	91	65.1 Å²	65.1	75%	0.752	34%	0.335	S	S	*	.	H	α-helix	trans	-66.8	-32.4	176.8	0	0	0	0	0	112.5	N6 T7 G12	N6-A10 WeakPolarHBondContact O-CB 3.37Å; N6-A10 PolarHBondContact O-N 3.11Å; T7-A10 PolarHBondContact O-N 3.21Å; T7-A10 VanDerWaalsContact O-N 3.1Å; A10-G12 VanDerWaalsContact C-N 3.26Å; A10-G12 PolarHBondContact O-N 3.41Å
11	E	93.2	Very high	92.2	Very high	110 Å²	110	62 Å²	62	51%	0.514	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.1	176.3	-69.2	176.6	-179.9	0	0	113.9	T7 A8 L9 K13	T7-E11 HydrophobicContact CG2-CG 4.49Å; T7-E11 WeakPolarHBondContact CG2-OE1 3.34Å; T7-E11 WeakPolarHBondContact O-CG 3.41Å; T7-E11 PolarHBondContact O-N 2.75Å; A8-E11 PolarHBondContact O-N 3.04Å; L9-E11 VanDerWaalsContact C-N 3.31Å; E11-K13 VanDerWaalsContact C-N 3.29Å; E11-K13 HydrophobicContact CB-CD 4.4Å; E11-K13 HydrophobicContact CB-CG 4.23Å; E11-K13 PolarHBondContact O-N 3.48Å; E11-K13 WeakPolarHBondContact OE2-CE 3.36Å; E11-K13 IonicContact OE2-NZ 2.97Å; E11-K13 PolarHBondContact OE2-NZ 2.93Å
12	G	88.9	Confident	92.9	Very high	33 Å²	33	59.3 Å²	59.3	34%	0.34	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	8.2	-178.2	0	0	0	0	0	114.8	A8 L9 A10 Y14	A8-G12 PolarHBondContact O-N 3.1Å; L9-G12 PolarHBondContact O-N 3.3Å; A10-G12 VanDerWaalsContact C-N 3.26Å; A10-G12 PolarHBondContact O-N 3.41Å; G12-Y14 VanDerWaalsContact C-N 3.33Å; G12-Y14 PolarHBondContact O-N 3.13Å; G12-Y14 VanDerWaalsContact O-N 3.11Å
13	K	93.2	Very high	93.4	Very high	99 Å²	99	60.2 Å²	60.2	43%	0.43	31%	0.312	S	S	.	.			trans	-86.6	70.1	179.1	-58.1	179.6	-173.3	159.3	0	110.5	A8 E11 E15 E16 A17	A8-K13 HydrophobicContact CB-CB 4.28Å; A8-K13 WeakPolarHBondContact O-CA 3.37Å; A8-K13 WeakPolarHBondContact O-CB 3.25Å; A8-K13 PolarHBondContact O-N 3.11Å; E11-K13 VanDerWaalsContact C-N 3.29Å; E11-K13 HydrophobicContact CB-CD 4.4Å; E11-K13 HydrophobicContact CB-CG 4.23Å; E11-K13 PolarHBondContact O-N 3.48Å; E11-K13 WeakPolarHBondContact OE2-CE 3.36Å; E11-K13 IonicContact OE2-NZ 2.97Å; E11-K13 PolarHBondContact OE2-NZ 2.93Å; K13-E15 PolarHBondContact O-N 2.9Å; K13-E16 HydrophobicContact CB-CB 4.08Å; K13-E16 WeakPolarHBondContact CD-OE2 3.41Å; K13-E16 PolarHBondContact O-N 3.49Å; K13-A17 PolarHBondContact O-N 2.69Å
14	Y	92.1	Very high	93.7	Very high	72 Å²	72	55.1 Å²	55.1	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-43.2	-168.5	-47.9	-49.6	0	0	0	113.6	L9 G12 E16 A17 I18 K44	L9-Y14 HydrophobicContact CD1-CD1 4.01Å; L9-Y14 HydrophobicContact CD1-CE1 4.48Å; G12-Y14 VanDerWaalsContact C-N 3.33Å; G12-Y14 PolarHBondContact O-N 3.13Å; G12-Y14 VanDerWaalsContact O-N 3.11Å; Y14-E16 VanDerWaalsContact C-N 3.34Å; Y14-E16 PolarHBondContact O-N 3.38Å; Y14-A17 WeakPolarHBondContact O-CB 3.39Å; Y14-A17 PolarHBondContact O-N 2.89Å; Y14-I18 WeakPolarHBondContact O-CD1 3.28Å; Y14-I18 VanDerWaalsContact O-CG1 3.24Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.35Å; Y14-K44 HydrophobicContact CD1-CB 3.47Å; Y14-K44 VanDerWaalsContact CD1-CB 3.47Å; Y14-K44 HydrophobicContact CD1-CG 4.3Å; Y14-K44 HydrophobicContact CD2-CB 4.19Å; Y14-K44 WeakPolarHBondContact CD2-O 3.44Å; Y14-K44 HydrophobicContact CE1-CB 3.48Å; Y14-K44 VanDerWaalsContact CE1-CB 3.48Å; Y14-K44 HydrophobicContact CE1-CD 4.23Å; Y14-K44 HydrophobicContact CE1-CG 3.98Å; Y14-K44 HydrophobicContact CE2-CB 4.2Å; Y14-K44 WeakPolarHBondContact CE2-O 3.46Å; Y14-K44 HydrophobicContact CG-CB 3.84Å
15	E	95.7	Very high	94	Very high	89 Å²	89	50.6 Å²	50.6	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-42.6	176.9	-85.4	47.9	-129.9	0	0	112.1	K13 I18 Q19 A45 K47	K13-E15 PolarHBondContact O-N 2.9Å; E15-I18 PolarHBondContact O-N 3.23Å; E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.02Å; E15-Q19 VanDerWaalsContact O-N 3.08Å; E15-A45 WeakPolarHBondContact OE1-CB 3.46Å; E15-K47 IonicContact OE1-NZ 2.76Å; E15-K47 PolarHBondContact OE1-NZ 3.4Å
16	E	96.5	Very high	94.2	Very high	90 Å²	90	57.9 Å²	57.9	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-44.5	176.4	-172.8	-179.2	175	0	0	110.9	A8 K13 Y14 I18 Q19 L20	A8-E16 HydrophobicContact CB-CB 4.26Å; A8-E16 HydrophobicContact CB-CG 4.18Å; K13-E16 HydrophobicContact CB-CB 4.08Å; K13-E16 WeakPolarHBondContact CD-OE2 3.41Å; K13-E16 PolarHBondContact O-N 3.49Å; Y14-E16 VanDerWaalsContact C-N 3.34Å; Y14-E16 PolarHBondContact O-N 3.38Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 3.39Å; E16-Q19 PolarHBondContact O-N 3.48Å; E16-L20 HydrophobicContact CG-CD1 3.91Å; E16-L20 HydrophobicContact CG-CG 4.49Å; E16-L20 WeakPolarHBondContact O-CG 3.26Å; E16-L20 PolarHBondContact O-N 3.4Å
17	A	94.8	Very high	94.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-44.5	174.9	0	0	0	0	0	111.8	A8 L9 K13 Y14 Q19 L20 Y21 A41	A8-A17 HydrophobicContact CB-CB 3.97Å; L9-A17 HydrophobicContact CB-CB 3.98Å; K13-A17 PolarHBondContact O-N 2.69Å; Y14-A17 WeakPolarHBondContact O-CB 3.39Å; Y14-A17 PolarHBondContact O-N 2.89Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.04Å; A17-L20 PolarHBondContact O-N 2.98Å; A17-Y21 HydrophobicContact CB-CD2 4.41Å; A17-Y21 HydrophobicContact CB-CE2 4.02Å; A17-Y21 WeakPolarHBondContact O-CD2 3.41Å; A17-Y21 PolarHBondContact O-N 3.47Å; A17-A41 HydrophobicContact CB-CB 4.15Å
18	I	97.8	Very high	94.7	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.072	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-45.1	176.4	-70.4	160.4	0	0	0	110.9	Y14 E15 E16 S22 R38 A41 Y42 A45 K47	Y14-I18 WeakPolarHBondContact O-CD1 3.28Å; Y14-I18 VanDerWaalsContact O-CG1 3.24Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.35Å; E15-I18 PolarHBondContact O-N 3.23Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 3.39Å; I18-S22 WeakPolarHBondContact O-CB 3.38Å; I18-S22 PolarHBondContact O-N 3.15Å; I18-S22 PolarHBondContact O-OG 2.87Å; I18-R38 HydrophobicContact CG2-CG 4.46Å; I18-A41 HydrophobicContact CG1-CB 3.71Å; I18-Y42 HydrophobicContact CB-CE1 4.46Å; I18-Y42 HydrophobicContact CD1-CD1 3.53Å; I18-Y42 HydrophobicContact CD1-CE1 3.81Å; I18-Y42 HydrophobicContact CD1-CG 4.33Å; I18-Y42 HydrophobicContact CG1-CD1 3.94Å; I18-Y42 HydrophobicContact CG1-CE1 4.02Å; I18-Y42 HydrophobicContact CG1-CG 4.42Å; I18-Y42 HydrophobicContact CG2-CD1 4.32Å; I18-Y42 HydrophobicContact CG2-CE1 3.54Å; I18-A45 HydrophobicContact CD1-CB 3.96Å; I18-K47 HydrophobicContact CD1-CD 4.4Å
19	Q	97.3	Very high	95	Very high	121 Å²	121	67.5 Å²	67.5	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-64.8	-44.5	178.4	-71	179.8	8.2	0	0	111.8	E15 E16 A17 S22 K23	E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.02Å; E15-Q19 VanDerWaalsContact O-N 3.08Å; E16-Q19 PolarHBondContact O-N 3.48Å; A17-Q19 VanDerWaalsContact C-N 3.33Å; A17-Q19 PolarHBondContact O-N 3.04Å; Q19-S22 PolarHBondContact O-N 3.26Å; Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.14Å
20	L	97.2	Very high	95.5	Very high	25 Å²	25	69.8 Å²	69.8	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-41	180	-72.4	165.9	0	0	0	112.2	Q4 A8 E16 A17 A24	Q4-L20 HydrophobicContact CB-CD1 3.9Å; Q4-L20 HydrophobicContact CB-CD2 4.11Å; A8-L20 HydrophobicContact CB-CD1 4.08Å; E16-L20 HydrophobicContact CG-CD1 3.91Å; E16-L20 HydrophobicContact CG-CG 4.49Å; E16-L20 WeakPolarHBondContact O-CG 3.26Å; E16-L20 PolarHBondContact O-N 3.4Å; A17-L20 PolarHBondContact O-N 2.98Å; L20-A24 PolarHBondContact O-N 2.67Å
21	Y	97	Very high	95.8	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-37.3	173.5	-64.1	-49.2	0	0	0	112.3	G5 N6 L9 A17 A24 I25 N37 R38 A41	G5-Y21 VanDerWaalsContact C-CZ 3.42Å; G5-Y21 PolarHBondContact O-OH 3.37Å; N6-Y21 VanDerWaalsContact CA-OH 3.3Å; N6-Y21 WeakPolarHBondContact CA-OH 3.37Å; N6-Y21 PolarHBondContact N-OH 3.48Å; N6-Y21 WeakPolarHBondContact OD1-CE1 3.41Å; N6-Y21 PolarHBondContact OD1-OH 3.39Å; L9-Y21 HydrophobicContact CD2-CE2 4.49Å; A17-Y21 HydrophobicContact CB-CD2 4.41Å; A17-Y21 HydrophobicContact CB-CE2 4.02Å; A17-Y21 WeakPolarHBondContact O-CD2 3.41Å; A17-Y21 PolarHBondContact O-N 3.47Å; Y21-A24 WeakPolarHBondContact O-CB 3.31Å; Y21-A24 PolarHBondContact O-N 3.04Å; Y21-A24 VanDerWaalsContact O-N 3.16Å; Y21-I25 VanDerWaalsContact O-CG1 3.26Å; Y21-I25 WeakPolarHBondContact O-CG1 3.46Å; Y21-I25 PolarHBondContact O-N 2.86Å; Y21-N37 HydrophobicContact CD1-CB 4.08Å; Y21-N37 HydrophobicContact CD2-CB 4.3Å; Y21-N37 HydrophobicContact CE1-CB 3.64Å; Y21-N37 HydrophobicContact CE2-CB 3.87Å; Y21-N37 HydrophobicContact CG-CB 4.4Å; Y21-R38 HydrophobicContact CD2-CB 4.07Å; Y21-R38 HydrophobicContact CD2-CG 4.45Å; Y21-R38 HydrophobicContact CG-CB 4.2Å; Y21-A41 HydrophobicContact CD2-CB 4.31Å; Y21-A41 HydrophobicContact CE2-CB 4.2Å
22	S	97.7	Very high	95.9	Very high	26 Å²	26	63.7 Å²	63.7	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-45.5	176.7	-59.3	0	0	0	0	111.6	I18 Q19 A24 I25 E26 R38	I18-S22 WeakPolarHBondContact O-CB 3.38Å; I18-S22 PolarHBondContact O-N 3.15Å; I18-S22 PolarHBondContact O-OG 2.87Å; Q19-S22 PolarHBondContact O-N 3.26Å; S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 2.85Å; S22-I25 PolarHBondContact O-N 3.04Å; S22-E26 WeakPolarHBondContact O-CG 3.48Å; S22-E26 PolarHBondContact O-N 2.93Å; S22-R38 VanDerWaalsContact OG-CD 3.29Å; S22-R38 WeakPolarHBondContact OG-CD 3.32Å; S22-R38 PolarHBondContact OG-NH1 2.95Å
23	K	97.3	Very high	96.3	Very high	105 Å²	105	64.1 Å²	64.1	46%	0.457	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-33.9	172.9	-69.9	177.6	180	176.6	0	113	M1 Q19	M1-K23 HydrophobicContact CE-CB 4.27Å; M1-K23 HydrophobicContact SD-CB 3.91Å; Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.14Å
24	A	96.8	Very high	96.5	Very high	5 Å²	5	59.5 Å²	59.5	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-40.2	174.7	0	0	0	0	0	111.7	M1 L20 Y21 S22 E26 K27 E28 L34	M1-A24 HydrophobicContact CB-CB 3.9Å; L20-A24 PolarHBondContact O-N 2.67Å; Y21-A24 WeakPolarHBondContact O-CB 3.31Å; Y21-A24 PolarHBondContact O-N 3.04Å; Y21-A24 VanDerWaalsContact O-N 3.16Å; S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 2.85Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.25Å; A24-K27 PolarHBondContact O-N 2.64Å; A24-K27 VanDerWaalsContact O-N 3.14Å; A24-E28 PolarHBondContact O-N 3.34Å; A24-L34 HydrophobicContact CB-CD1 3.72Å; A24-L34 HydrophobicContact CB-CD2 3.78Å; A24-L34 HydrophobicContact CB-CG 4.37Å
25	I	97.5	Very high	96.7	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-37.4	178.7	-72.9	164.3	0	0	0	111.2	Y21 S22 K27 E28 P29 L34 Y35 R38	Y21-I25 VanDerWaalsContact O-CG1 3.26Å; Y21-I25 WeakPolarHBondContact O-CG1 3.46Å; Y21-I25 PolarHBondContact O-N 2.86Å; S22-I25 PolarHBondContact O-N 3.04Å; I25-K27 PolarHBondContact O-N 2.69Å; I25-E28 CarbonylContact O-C 3.58Å; I25-E28 VanDerWaalsContact O-C 3.27Å; I25-E28 PolarHBondContact O-N 3.35Å; I25-P29 VanDerWaalsContact O-CA 3.25Å; I25-P29 WeakPolarHBondContact O-CA 3.16Å; I25-P29 WeakPolarHBondContact O-CD 3.48Å; I25-L34 HydrophobicContact CD1-CB 4.14Å; I25-L34 HydrophobicContact CG1-CB 3.52Å; I25-L34 HydrophobicContact CG1-CD1 4.08Å; I25-L34 HydrophobicContact CG1-CG 4.45Å; I25-Y35 HydrophobicContact CD1-CD1 3.96Å; I25-Y35 HydrophobicContact CD1-CD2 4.42Å; I25-Y35 HydrophobicContact CD1-CE1 4.05Å; I25-Y35 HydrophobicContact CD1-CG 4.17Å; I25-Y35 HydrophobicContact CG1-CD2 4.43Å; I25-Y35 HydrophobicContact CG1-CE2 4.27Å; I25-Y35 HydrophobicContact CG2-CE1 3.94Å; I25-Y35 HydrophobicContact CG2-CE2 3.97Å; I25-Y35 VanDerWaalsContact CG2-CZ 3.45Å; I25-Y35 VanDerWaalsContact CG2-OH 3.25Å; I25-Y35 WeakPolarHBondContact CG2-OH 3.49Å; I25-R38 HydrophobicContact CD1-CB 4.44Å
26	E	97	Very high	96.8	Very high	153 Å²	153	53 Å²	53	72%	0.715	27%	0.269	S	S	*	.	H	α-helix	trans	-56.5	-33.9	173.4	-73.6	167.5	-168.6	0	0	112.2	S22 A24	S22-E26 WeakPolarHBondContact O-CG 3.48Å; S22-E26 PolarHBondContact O-N 2.93Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.25Å
27	K	96.2	Very high	96.7	Very high	149 Å²	149	50 Å²	50	65%	0.648	26%	0.255	S	S	*	.	H	α-helix	trans	-85.5	-33.6	178.1	-62.8	-173.5	177.8	-168.4	0	113.3	M1 A24 I25	M1-K27 HydrophobicContact SD-CD 4.02Å; A24-K27 PolarHBondContact O-N 2.64Å; A24-K27 VanDerWaalsContact O-N 3.14Å; I25-K27 PolarHBondContact O-N 2.69Å
28	E	95.8	Very high	96.9	Very high	101 Å²	101	51.7 Å²	51.7	47%	0.472	26%	0.262	S	S	.	.			trans	-131.5	69.8	-176.4	-64.8	175.1	-125.3	0	0	111.4	A24 I25 S30 N31 L34	A24-E28 PolarHBondContact O-N 3.34Å; I25-E28 CarbonylContact O-C 3.58Å; I25-E28 VanDerWaalsContact O-C 3.27Å; I25-E28 PolarHBondContact O-N 3.35Å; E28-S30 PolarHBondContact O-N 3.46Å; E28-S30 VanDerWaalsContact O-N 3.12Å; E28-N31 HydrophobicContact CB-CB 3.88Å; E28-N31 WeakPolarHBondContact O-CB 3.33Å; E28-N31 PolarHBondContact O-N 2.84Å; E28-N31 PolarHBondContact OE2-ND2 3.04Å; E28-L34 HydrophobicContact CB-CD1 4.04Å
29	P	96.4	Very high	96.8	Very high	78 Å²	78	51.1 Å²	51.1	51%	0.506	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	-171.4	26.7	-35.8	0	0	0	114.3	I25 Y35	I25-P29 VanDerWaalsContact O-CA 3.25Å; I25-P29 WeakPolarHBondContact O-CA 3.16Å; I25-P29 WeakPolarHBondContact O-CD 3.48Å; P29-Y35 WeakPolarHBondContact O-CE2 3.4Å; P29-Y35 PolarHBondContact O-OH 3.05Å
30	S	97	Very high	96.7	Very high	91 Å²	91	46.2 Å²	46.2	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.9	175.1	56.7	0	0	0	0	113.4	E28 H32	E28-S30 PolarHBondContact O-N 3.46Å; E28-S30 VanDerWaalsContact O-N 3.12Å; S30-H32 PolarHBondContact O-N 3.2Å
31	N	96.1	Very high	96.5	Very high	36 Å²	36	45 Å²	45	19%	0.193	23%	0.233	C	C	.	.			trans	-81.8	92	-175.8	-170.5	-21.7	0	0	0	111.5	E28 V33 L34 Y35	E28-N31 HydrophobicContact CB-CB 3.88Å; E28-N31 WeakPolarHBondContact O-CB 3.33Å; E28-N31 PolarHBondContact O-N 2.84Å; E28-N31 PolarHBondContact OE2-ND2 3.04Å; N31-V33 PolarHBondContact O-N 3.1Å; N31-V33 WeakPolarHBondContact OD1-CB 3.29Å; N31-V33 PolarHBondContact OD1-N 3.47Å; N31-V33 VanDerWaalsContact OD1-N 3.14Å; N31-L34 HydrophobicContact CB-CD1 3.88Å; N31-L34 HydrophobicContact CB-CG 4.03Å; N31-L34 WeakPolarHBondContact O-CB 3.42Å; N31-L34 PolarHBondContact O-N 3.36Å; N31-Y35 WeakPolarHBondContact O-CD2 3.23Å
32	H	96.7	Very high	96.5	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-53.1	-26.7	178.2	64.1	-80.9	0	0	0	114.3	S30 L34 S36 T58 L61 K62 W65	S30-H32 PolarHBondContact O-N 3.2Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-S36 WeakPolarHBondContact O-CB 3.37Å; H32-S36 PolarHBondContact O-N 3Å; H32-T58 HydrophobicContact CB-CG2 4.32Å; H32-L61 HydrophobicContact CB-CB 3.79Å; H32-L61 HydrophobicContact CB-CD1 4.35Å; H32-K62 HydrophobicContact CB-CB 4.09Å; H32-K62 VanDerWaalsContact CE1-CD 3.43Å; H32-K62 WeakPolarHBondContact CE1-CD 3.37Å; H32-K62 WeakPolarHBondContact NE2-CD 3.44Å; H32-W65 AromaticContact CD2-CD2 3.82Å; H32-W65 AromaticContact CD2-CE3 3.52Å; H32-W65 AromaticContact CD2-CZ3 3.7Å
33	V	96.2	Very high	96.1	Very high	42 Å²	42	46.6 Å²	46.6	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-68	-35.5	178	-177.5	0	0	0	0	111.3	N31 S36 N37 W65	N31-V33 PolarHBondContact O-N 3.1Å; N31-V33 WeakPolarHBondContact OD1-CB 3.29Å; N31-V33 PolarHBondContact OD1-N 3.47Å; N31-V33 VanDerWaalsContact OD1-N 3.14Å; V33-S36 WeakPolarHBondContact O-CB 3.43Å; V33-S36 PolarHBondContact O-N 2.95Å; V33-N37 WeakPolarHBondContact O-CB 3.34Å; V33-N37 VanDerWaalsContact O-CG 3.31Å; V33-N37 PolarHBondContact O-N 2.89Å; V33-N37 PolarHBondContact O-OD1 3.35Å; V33-W65 HydrophobicContact CG2-CH2 4.2Å; V33-W65 HydrophobicContact CG2-CZ2 4.39Å
34	L	96.7	Very high	95.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-43.7	178.9	-62.9	177.3	0	0	0	111.8	K2 A24 I25 E28 N31 H32 S36 N37 R38	K2-L34 HydrophobicContact CB-CD2 3.87Å; K2-L34 HydrophobicContact CD-CD2 4.19Å; K2-L34 HydrophobicContact CG-CD2 3.73Å; A24-L34 HydrophobicContact CB-CD1 3.72Å; A24-L34 HydrophobicContact CB-CD2 3.78Å; A24-L34 HydrophobicContact CB-CG 4.37Å; I25-L34 HydrophobicContact CD1-CB 4.14Å; I25-L34 HydrophobicContact CG1-CB 3.52Å; I25-L34 HydrophobicContact CG1-CD1 4.08Å; I25-L34 HydrophobicContact CG1-CG 4.45Å; E28-L34 HydrophobicContact CB-CD1 4.04Å; N31-L34 HydrophobicContact CB-CD1 3.88Å; N31-L34 HydrophobicContact CB-CG 4.03Å; N31-L34 WeakPolarHBondContact O-CB 3.42Å; N31-L34 PolarHBondContact O-N 3.36Å; H32-L34 VanDerWaalsContact C-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-N37 PolarHBondContact O-N 3.38Å; L34-R38 WeakPolarHBondContact O-CB 3.46Å; L34-R38 PolarHBondContact O-N 3.29Å
35	Y	98	Very high	95.4	Very high	25 Å²	25	49 Å²	49	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-40.9	173	-68.4	-85.8	0	0	0	111.5	I25 P29 N31 N37 R38 S39 K57 T58 L61	I25-Y35 HydrophobicContact CD1-CD1 3.96Å; I25-Y35 HydrophobicContact CD1-CD2 4.42Å; I25-Y35 HydrophobicContact CD1-CE1 4.05Å; I25-Y35 HydrophobicContact CD1-CG 4.17Å; I25-Y35 HydrophobicContact CG1-CD2 4.43Å; I25-Y35 HydrophobicContact CG1-CE2 4.27Å; I25-Y35 HydrophobicContact CG2-CE1 3.94Å; I25-Y35 HydrophobicContact CG2-CE2 3.97Å; I25-Y35 VanDerWaalsContact CG2-CZ 3.45Å; I25-Y35 VanDerWaalsContact CG2-OH 3.25Å; I25-Y35 WeakPolarHBondContact CG2-OH 3.49Å; P29-Y35 WeakPolarHBondContact O-CE2 3.4Å; P29-Y35 PolarHBondContact O-OH 3.05Å; N31-Y35 WeakPolarHBondContact O-CD2 3.23Å; Y35-N37 VanDerWaalsContact C-N 3.33Å; Y35-N37 PolarHBondContact O-N 3.48Å; Y35-R38 PolarHBondContact O-N 3.46Å; Y35-S39 VanDerWaalsContact O-CB 3.26Å; Y35-S39 WeakPolarHBondContact O-CB 3.24Å; Y35-S39 PolarHBondContact O-N 3.41Å; Y35-K57 HydrophobicContact CD1-CB 3.97Å; Y35-K57 HydrophobicContact CD1-CG 3.5Å; Y35-K57 VanDerWaalsContact CD1-CG 3.5Å; Y35-K57 HydrophobicContact CD2-CG 4.29Å; Y35-K57 HydrophobicContact CE1-CB 4.37Å; Y35-K57 HydrophobicContact CE1-CG 3.49Å; Y35-K57 VanDerWaalsContact CE1-CG 3.49Å; Y35-K57 HydrophobicContact CE2-CG 4.28Å; Y35-K57 HydrophobicContact CG-CB 4.38Å; Y35-K57 HydrophobicContact CG-CG 3.91Å; Y35-T58 WeakPolarHBondContact CB-OG1 3.45Å; Y35-L61 HydrophobicContact CD2-CD1 3.48Å; Y35-L61 VanDerWaalsContact CD2-CD1 3.48Å; Y35-L61 HydrophobicContact CE2-CD1 3.49Å; Y35-L61 VanDerWaalsContact CE2-CD1 3.49Å; Y35-L61 HydrophobicContact CG-CD1 4.4Å
36	S	96.9	Very high	94.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-38.7	176.5	-176.8	0	0	0	0	113.1	H32 V33 L34 A40 T58 R71	H32-S36 WeakPolarHBondContact O-CB 3.37Å; H32-S36 PolarHBondContact O-N 3Å; V33-S36 WeakPolarHBondContact O-CB 3.43Å; V33-S36 PolarHBondContact O-N 2.95Å; L34-S36 VanDerWaalsContact C-N 3.34Å; S36-A40 PolarHBondContact O-N 3.41Å; S36-T58 WeakPolarHBondContact CA-OG1 3.33Å; S36-T58 PolarHBondContact N-OG1 3.38Å; S36-T58 VanDerWaalsContact N-OG1 3.1Å; S36-R71 WeakPolarHBondContact O-CD 3.42Å; S36-R71 PolarHBondContact O-NE 3.15Å; S36-R71 WeakPolarHBondContact OG-CG 3.45Å; S36-R71 PolarHBondContact OG-NE 3.42Å
37	N	95.4	Very high	94.6	Very high	26 Å²	26	46.9 Å²	46.9	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-73.7	-40.9	177.6	-72.3	-0.7	0	0	0	111.7	N6 Y21 V33 L34 Y35 A40 A41	N6-N37 PolarHBondContact OD1-ND2 3.18Å; N6-N37 VanDerWaalsContact OD1-ND2 3.12Å; Y21-N37 HydrophobicContact CD1-CB 4.08Å; Y21-N37 HydrophobicContact CD2-CB 4.3Å; Y21-N37 HydrophobicContact CE1-CB 3.64Å; Y21-N37 HydrophobicContact CE2-CB 3.87Å; Y21-N37 HydrophobicContact CG-CB 4.4Å; V33-N37 WeakPolarHBondContact O-CB 3.34Å; V33-N37 VanDerWaalsContact O-CG 3.31Å; V33-N37 PolarHBondContact O-N 2.89Å; V33-N37 PolarHBondContact O-OD1 3.35Å; L34-N37 PolarHBondContact O-N 3.38Å; Y35-N37 VanDerWaalsContact C-N 3.33Å; Y35-N37 PolarHBondContact O-N 3.48Å; N37-A40 WeakPolarHBondContact O-CB 3.42Å; N37-A40 PolarHBondContact O-N 3.25Å; N37-A41 PolarHBondContact O-N 3.27Å
38	R	97.6	Very high	94.4	Very high	35 Å²	35	43.6 Å²	43.6	13%	0.132	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-36.1	175.9	-164.1	175.1	64.7	178.1	1.1	112.1	I18 Y21 S22 I25 L34 Y35 A40 A41 Y42 D54	I18-R38 HydrophobicContact CG2-CG 4.46Å; Y21-R38 HydrophobicContact CD2-CB 4.07Å; Y21-R38 HydrophobicContact CD2-CG 4.45Å; Y21-R38 HydrophobicContact CG-CB 4.2Å; S22-R38 VanDerWaalsContact OG-CD 3.29Å; S22-R38 WeakPolarHBondContact OG-CD 3.32Å; S22-R38 PolarHBondContact OG-NH1 2.95Å; I25-R38 HydrophobicContact CD1-CB 4.44Å; L34-R38 WeakPolarHBondContact O-CB 3.46Å; L34-R38 PolarHBondContact O-N 3.29Å; Y35-R38 PolarHBondContact O-N 3.46Å; R38-A40 VanDerWaalsContact C-N 3.33Å; R38-A40 PolarHBondContact O-N 2.88Å; R38-A41 PolarHBondContact O-N 3.46Å; R38-A41 VanDerWaalsContact O-N 3.17Å; R38-Y42 HydrophobicContact CG-CD2 3.97Å; R38-Y42 HydrophobicContact CG-CE2 3.6Å; R38-Y42 VanDerWaalsContact O-CD2 3.27Å; R38-Y42 WeakPolarHBondContact O-CD2 3.42Å; R38-Y42 PolarHBondContact O-N 3.21Å; R38-D54 VanDerWaalsContact CB-OD2 3.28Å; R38-D54 WeakPolarHBondContact CB-OD2 3.14Å; R38-D54 WeakPolarHBondContact CG-OD2 3Å; R38-D54 IonicContact CZ-OD1 2.68Å; R38-D54 IonicContact CZ-OD2 3.61Å; R38-D54 IonicContact NE-OD1 2.84Å; R38-D54 IonicContact NE-OD2 3.79Å; R38-D54 PolarHBondContact NE-OD2 3.43Å; R38-D54 IonicContact NH2-OD1 2.73Å; R38-D54 PolarHBondContact NH2-OD1 3.17Å; R38-D54 IonicContact NH2-OD2 3.36Å; R38-D54 PolarHBondContact NH2-OD2 2.99Å
39	S	96.9	Very high	94.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-55.2	-46.6	168.5	176.1	0	0	0	0	111.7	Y35 A41 Y42 A43 A51	Y35-S39 VanDerWaalsContact O-CB 3.26Å; Y35-S39 WeakPolarHBondContact O-CB 3.24Å; Y35-S39 PolarHBondContact O-N 3.41Å; S39-A41 PolarHBondContact O-N 3.41Å; S39-Y42 PolarHBondContact O-N 3.33Å; S39-A43 WeakPolarHBondContact O-CB 3.34Å; S39-A43 PolarHBondContact O-N 2.87Å; S39-A51 WeakPolarHBondContact CB-O 3.33Å; S39-A51 WeakPolarHBondContact O-CB 3.19Å; S39-A51 PolarHBondContact OG-O 3.49Å
40	A	93.9	Very high	94.4	Very high	18 Å²	18	43.3 Å²	43.3	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-39.7	176.5	0	0	0	0	0	112.5	S36 N37 R38 A43 K44	S36-A40 PolarHBondContact O-N 3.41Å; N37-A40 WeakPolarHBondContact O-CB 3.42Å; N37-A40 PolarHBondContact O-N 3.25Å; R38-A40 VanDerWaalsContact C-N 3.33Å; R38-A40 PolarHBondContact O-N 2.88Å; A40-A43 PolarHBondContact O-N 3.19Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.43Å
41	A	93	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-43.9	176.3	0	0	0	0	0	112.1	L9 A17 I18 Y21 N37 R38 S39 A43 K44 A45	L9-A41 HydrophobicContact CD1-CB 3.88Å; A17-A41 HydrophobicContact CB-CB 4.15Å; I18-A41 HydrophobicContact CG1-CB 3.71Å; Y21-A41 HydrophobicContact CD2-CB 4.31Å; Y21-A41 HydrophobicContact CE2-CB 4.2Å; N37-A41 PolarHBondContact O-N 3.27Å; R38-A41 PolarHBondContact O-N 3.46Å; R38-A41 VanDerWaalsContact O-N 3.17Å; S39-A41 PolarHBondContact O-N 3.41Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.98Å; A41-K44 PolarHBondContact O-N 3.21Å; A41-A45 WeakPolarHBondContact O-CB 3.18Å; A41-A45 PolarHBondContact O-N 3.06Å
42	Y	96.6	Very high	94.4	Very high	38 Å²	38	37.8 Å²	37.8	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-43.2	172.7	-78.5	-51	0	0	0	112.2	I18 R38 S39 K44 A45 G46 K47 D54	I18-Y42 HydrophobicContact CB-CE1 4.46Å; I18-Y42 HydrophobicContact CD1-CD1 3.53Å; I18-Y42 HydrophobicContact CD1-CE1 3.81Å; I18-Y42 HydrophobicContact CD1-CG 4.33Å; I18-Y42 HydrophobicContact CG1-CD1 3.94Å; I18-Y42 HydrophobicContact CG1-CE1 4.02Å; I18-Y42 HydrophobicContact CG1-CG 4.42Å; I18-Y42 HydrophobicContact CG2-CD1 4.32Å; I18-Y42 HydrophobicContact CG2-CE1 3.54Å; R38-Y42 HydrophobicContact CG-CD2 3.97Å; R38-Y42 HydrophobicContact CG-CE2 3.6Å; R38-Y42 VanDerWaalsContact O-CD2 3.27Å; R38-Y42 WeakPolarHBondContact O-CD2 3.42Å; R38-Y42 PolarHBondContact O-N 3.21Å; S39-Y42 PolarHBondContact O-N 3.33Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; Y42-K44 PolarHBondContact O-N 3.18Å; Y42-A45 CarbonylContact O-C 3.26Å; Y42-A45 PolarHBondContact O-N 2.97Å; Y42-G46 PolarHBondContact O-N 3.34Å; Y42-K47 HydrophobicContact CD1-CB 3.91Å; Y42-K47 HydrophobicContact CD1-CD 3.85Å; Y42-K47 HydrophobicContact CE1-CD 4.24Å; Y42-K47 HydrophobicContact CG-CB 4.49Å; Y42-K47 PolarHBondContact O-N 3.15Å; Y42-D54 VanDerWaalsContact CE2-OD2 3.3Å; Y42-D54 WeakPolarHBondContact CE2-OD2 3.42Å
43	A	91.2	Very high	94.4	Very high	23 Å²	23	40.1 Å²	40.1	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-41.7	177.1	0	0	0	0	0	111.8	S39 A40 A41 A45 G46 Y48 A51 L78	S39-A43 WeakPolarHBondContact O-CB 3.34Å; S39-A43 PolarHBondContact O-N 2.87Å; A40-A43 PolarHBondContact O-N 3.19Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.98Å; A43-A45 VanDerWaalsContact C-N 3.32Å; A43-G46 PolarHBondContact O-N 3.27Å; A43-Y48 WeakPolarHBondContact O-CE1 3.37Å; A43-A51 HydrophobicContact CB-CB 3.97Å; A43-L78 HydrophobicContact CB-CD1 3.79Å
44	K	89.5	Confident	94.5	Very high	134 Å²	134	38.5 Å²	38.5	58%	0.583	21%	0.205	S	C	*	.	H	α-helix	trans	-68.4	-29	175.6	-72.6	-71.5	-172.9	174.4	0	113.4	L9 Y14 A40 A41 Y42 G46	L9-K44 HydrophobicContact CD1-CG 4.46Å; Y14-K44 HydrophobicContact CD1-CB 3.47Å; Y14-K44 VanDerWaalsContact CD1-CB 3.47Å; Y14-K44 HydrophobicContact CD1-CG 4.3Å; Y14-K44 HydrophobicContact CD2-CB 4.19Å; Y14-K44 WeakPolarHBondContact CD2-O 3.44Å; Y14-K44 HydrophobicContact CE1-CB 3.48Å; Y14-K44 VanDerWaalsContact CE1-CB 3.48Å; Y14-K44 HydrophobicContact CE1-CD 4.23Å; Y14-K44 HydrophobicContact CE1-CG 3.98Å; Y14-K44 HydrophobicContact CE2-CB 4.2Å; Y14-K44 WeakPolarHBondContact CE2-O 3.46Å; Y14-K44 HydrophobicContact CG-CB 3.84Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.43Å; A41-K44 PolarHBondContact O-N 3.21Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; Y42-K44 PolarHBondContact O-N 3.18Å; K44-G46 VanDerWaalsContact C-N 3.31Å; K44-G46 PolarHBondContact O-N 2.86Å
45	A	89.7	Confident	94.5	Very high	27 Å²	27	38.4 Å²	38.4	22%	0.223	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.5	175.3	0	0	0	0	0	114.6	E15 I18 A41 Y42 A43 K47	E15-A45 WeakPolarHBondContact OE1-CB 3.46Å; I18-A45 HydrophobicContact CD1-CB 3.96Å; A41-A45 WeakPolarHBondContact O-CB 3.18Å; A41-A45 PolarHBondContact O-N 3.06Å; Y42-A45 CarbonylContact O-C 3.26Å; Y42-A45 PolarHBondContact O-N 2.97Å; A43-A45 VanDerWaalsContact C-N 3.32Å; A45-K47 VanDerWaalsContact C-N 3.27Å; A45-K47 HydrophobicContact CB-CD 4.17Å; A45-K47 HydrophobicContact CB-CG 4.41Å; A45-K47 PolarHBondContact O-N 3.15Å
46	G	85.7	Confident	94.5	Very high	38 Å²	38	41.2 Å²	41.2	39%	0.392	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	8.5	-177	0	0	0	0	0	115.1	Y42 A43 K44 Y48	Y42-G46 PolarHBondContact O-N 3.34Å; A43-G46 PolarHBondContact O-N 3.27Å; K44-G46 VanDerWaalsContact C-N 3.31Å; K44-G46 PolarHBondContact O-N 2.86Å; G46-Y48 PolarHBondContact O-N 3.19Å
47	K	91.8	Very high	94.6	Very high	82 Å²	82	45.2 Å²	45.2	36%	0.357	24%	0.236	S	C	.	.			trans	-95.5	66.5	-176.9	-66.3	167.7	177.9	160.9	0	110.5	E15 I18 Y42 A45 E49 S50 A51	E15-K47 IonicContact OE1-NZ 2.76Å; E15-K47 PolarHBondContact OE1-NZ 3.4Å; I18-K47 HydrophobicContact CD1-CD 4.4Å; Y42-K47 HydrophobicContact CD1-CB 3.91Å; Y42-K47 HydrophobicContact CD1-CD 3.85Å; Y42-K47 HydrophobicContact CE1-CD 4.24Å; Y42-K47 HydrophobicContact CG-CB 4.49Å; Y42-K47 PolarHBondContact O-N 3.15Å; A45-K47 VanDerWaalsContact C-N 3.27Å; A45-K47 HydrophobicContact CB-CD 4.17Å; A45-K47 HydrophobicContact CB-CG 4.41Å; A45-K47 PolarHBondContact O-N 3.15Å; K47-E49 PolarHBondContact O-N 3.48Å; K47-S50 PolarHBondContact O-N 3.45Å; K47-A51 PolarHBondContact O-N 3.35Å
48	Y	91.8	Very high	94.7	Very high	80 Å²	80	44 Å²	44	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-34.9	-164.9	-49.9	-43	0	0	0	114.3	A43 G46 A51 L52 L78	A43-Y48 WeakPolarHBondContact O-CE1 3.37Å; G46-Y48 PolarHBondContact O-N 3.19Å; Y48-A51 WeakPolarHBondContact O-CB 3.26Å; Y48-A51 PolarHBondContact O-N 2.97Å; Y48-L52 PolarHBondContact O-N 3.28Å; Y48-L78 HydrophobicContact CD1-CB 3.63Å; Y48-L78 HydrophobicContact CD1-CD1 3.82Å; Y48-L78 HydrophobicContact CD1-CG 4.22Å; Y48-L78 HydrophobicContact CD2-CB 4.18Å; Y48-L78 HydrophobicContact CE1-CB 3.91Å; Y48-L78 HydrophobicContact CE1-CD1 3.89Å; Y48-L78 HydrophobicContact CE1-CD2 4.09Å; Y48-L78 HydrophobicContact CE1-CG 4.19Å; Y48-L78 HydrophobicContact CE2-CB 4.43Å; Y48-L78 HydrophobicContact CG-CB 3.78Å
49	E	94.3	Very high	94.6	Very high	125 Å²	125	43.5 Å²	43.5	58%	0.584	23%	0.229	S	C	*	.	H	α-helix	trans	-65.2	-39.8	174.8	-68.9	78.3	-176.5	0	0	111.6	K47 L52 T53 L79	K47-E49 PolarHBondContact O-N 3.48Å; E49-L52 PolarHBondContact O-N 2.83Å; E49-T53 PolarHBondContact O-N 3.43Å; E49-T53 PolarHBondContact O-OG1 2.99Å; E49-L79 VanDerWaalsContact CD-CD2 3.43Å; E49-L79 HydrophobicContact CG-CD2 3.95Å; E49-L79 WeakPolarHBondContact OE1-CD2 2.96Å
50	S	96.9	Very high	94.7	Very high	48 Å²	48	46.8 Å²	46.8	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-39	173.5	-53.3	0	0	0	0	111.3	K47 L52 T53 D54	K47-S50 PolarHBondContact O-N 3.45Å; S50-L52 VanDerWaalsContact C-N 3.32Å; S50-L52 PolarHBondContact O-N 3.3Å; S50-T53 PolarHBondContact O-N 2.94Å; S50-D54 PolarHBondContact O-N 2.95Å; S50-D54 VanDerWaalsContact O-N 3.1Å
51	A	95.5	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-41.3	174.5	0	0	0	0	0	112.1	S39 A43 K47 Y48 A55 A75	S39-A51 WeakPolarHBondContact CB-O 3.33Å; S39-A51 WeakPolarHBondContact O-CB 3.19Å; S39-A51 PolarHBondContact OG-O 3.49Å; A43-A51 HydrophobicContact CB-CB 3.97Å; K47-A51 PolarHBondContact O-N 3.35Å; Y48-A51 WeakPolarHBondContact O-CB 3.26Å; Y48-A51 PolarHBondContact O-N 2.97Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.05Å; A51-A75 HydrophobicContact CB-CB 4Å
52	L	97.4	Very high	95	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-48.9	176.4	178	57.9	0	0	0	111.3	Y48 E49 S50 D54 A55 E56 K72 A75 L76 L79 R81	Y48-L52 PolarHBondContact O-N 3.28Å; E49-L52 PolarHBondContact O-N 2.83Å; S50-L52 VanDerWaalsContact C-N 3.32Å; S50-L52 PolarHBondContact O-N 3.3Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.38Å; L52-A55 WeakPolarHBondContact O-CB 3.48Å; L52-A55 PolarHBondContact O-N 3.44Å; L52-A55 VanDerWaalsContact O-N 3.08Å; L52-E56 HydrophobicContact CD1-CG 4.17Å; L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.41Å; L52-K72 HydrophobicContact CD1-CG 3.92Å; L52-A75 HydrophobicContact CB-CB 3.96Å; L52-A75 HydrophobicContact CD1-CB 4.43Å; L52-L76 HydrophobicContact CD1-CD1 4.42Å; L52-L76 HydrophobicContact CD1-CD2 3.87Å; L52-L76 HydrophobicContact CD1-CG 3.79Å; L52-L76 HydrophobicContact CD2-CD2 3.79Å; L52-L79 HydrophobicContact CB-CD1 4.09Å; L52-L79 HydrophobicContact CD2-CD1 3.69Å; L52-L79 HydrophobicContact CG-CD1 4.5Å; L52-R81 VanDerWaalsContact CD2-NH1 3.28Å
53	T	98	Very high	95	Very high	86 Å²	86	57.2 Å²	57.2	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-54.1	-47.9	178.1	-57.7	0	0	0	0	111.6	E49 S50 A55 E56 K57	E49-T53 PolarHBondContact O-N 3.43Å; E49-T53 PolarHBondContact O-OG1 2.99Å; S50-T53 PolarHBondContact O-N 2.94Å; T53-A55 PolarHBondContact O-N 3.23Å; T53-E56 PolarHBondContact O-N 3.31Å; T53-K57 PolarHBondContact O-N 3.07Å
54	D	97.5	Very high	95.2	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-69.5	-31.8	178.9	-90.2	-0.1	0	0	0	113	R38 Y42 S50 L52 K57 T58	R38-D54 VanDerWaalsContact CB-OD2 3.28Å; R38-D54 WeakPolarHBondContact CB-OD2 3.14Å; R38-D54 WeakPolarHBondContact CG-OD2 3Å; R38-D54 IonicContact CZ-OD1 2.68Å; R38-D54 IonicContact CZ-OD2 3.61Å; R38-D54 IonicContact NE-OD1 2.84Å; R38-D54 IonicContact NE-OD2 3.79Å; R38-D54 PolarHBondContact NE-OD2 3.43Å; R38-D54 IonicContact NH2-OD1 2.73Å; R38-D54 PolarHBondContact NH2-OD1 3.17Å; R38-D54 IonicContact NH2-OD2 3.36Å; R38-D54 PolarHBondContact NH2-OD2 2.99Å; Y42-D54 VanDerWaalsContact CE2-OD2 3.3Å; Y42-D54 WeakPolarHBondContact CE2-OD2 3.42Å; S50-D54 PolarHBondContact O-N 2.95Å; S50-D54 VanDerWaalsContact O-N 3.1Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.38Å; D54-K57 PolarHBondContact O-N 3.14Å; D54-T58 WeakPolarHBondContact O-CB 3.48Å; D54-T58 PolarHBondContact O-N 3.12Å; D54-T58 PolarHBondContact O-OG1 2.94Å
55	A	97.1	Very high	95.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-40.8	174.4	0	0	0	0	0	111.8	A51 L52 T53 T58 I59 R71 K72	A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.05Å; L52-A55 WeakPolarHBondContact O-CB 3.48Å; L52-A55 PolarHBondContact O-N 3.44Å; L52-A55 VanDerWaalsContact O-N 3.08Å; T53-A55 PolarHBondContact O-N 3.23Å; A55-T58 VanDerWaalsContact O-CB 3.32Å; A55-T58 WeakPolarHBondContact O-CB 3.46Å; A55-T58 PolarHBondContact O-N 3.34Å; A55-I59 WeakPolarHBondContact O-CG1 3.24Å; A55-I59 PolarHBondContact O-N 2.93Å; A55-I59 VanDerWaalsContact O-N 3.12Å; A55-R71 HydrophobicContact CB-CB 3.75Å; A55-K72 HydrophobicContact CB-CB 3.84Å
56	E	98.1	Very high	95.6	Very high	84 Å²	84	56.3 Å²	56.3	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-40.4	173.9	-68.4	-175.6	146.6	0	0	111.5	L52 T53 T58 I59 S60 K72	L52-E56 HydrophobicContact CD1-CG 4.17Å; L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.41Å; T53-E56 PolarHBondContact O-N 3.31Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.5Å; E56-I59 PolarHBondContact O-N 3.41Å; E56-S60 WeakPolarHBondContact O-CB 3.28Å; E56-S60 PolarHBondContact O-N 2.91Å; E56-K72 HydrophobicContact CG-CD 4.02Å; E56-K72 IonicContact OE1-NZ 3.58Å; E56-K72 PolarHBondContact OE1-NZ 3.4Å
57	K	98.1	Very high	95.8	Very high	85 Å²	85	60 Å²	60	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-41.6	173.3	-172	59.2	176.4	176.9	0	111.7	Y35 T53 D54 I59 S60 L61	Y35-K57 HydrophobicContact CD1-CB 3.97Å; Y35-K57 HydrophobicContact CD1-CG 3.5Å; Y35-K57 VanDerWaalsContact CD1-CG 3.5Å; Y35-K57 HydrophobicContact CD2-CG 4.29Å; Y35-K57 HydrophobicContact CE1-CB 4.37Å; Y35-K57 HydrophobicContact CE1-CG 3.49Å; Y35-K57 VanDerWaalsContact CE1-CG 3.49Å; Y35-K57 HydrophobicContact CE2-CG 4.28Å; Y35-K57 HydrophobicContact CG-CB 4.38Å; Y35-K57 HydrophobicContact CG-CG 3.91Å; T53-K57 PolarHBondContact O-N 3.07Å; D54-K57 PolarHBondContact O-N 3.14Å; K57-I59 PolarHBondContact O-N 3.09Å; K57-S60 WeakPolarHBondContact CA-OG 3.19Å; K57-S60 PolarHBondContact O-N 3.28Å; K57-S60 PolarHBondContact O-OG 3.15Å; K57-L61 HydrophobicContact CG-CD1 4.31Å; K57-L61 WeakPolarHBondContact O-CG 3.36Å; K57-L61 PolarHBondContact O-N 3.14Å
58	T	97.1	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-50.1	174.5	-59.5	0	0	0	0	111.4	H32 Y35 S36 D54 A55 E56 S60 L61 K62 W65	H32-T58 HydrophobicContact CB-CG2 4.32Å; Y35-T58 WeakPolarHBondContact CB-OG1 3.45Å; S36-T58 WeakPolarHBondContact CA-OG1 3.33Å; S36-T58 PolarHBondContact N-OG1 3.38Å; S36-T58 VanDerWaalsContact N-OG1 3.1Å; D54-T58 WeakPolarHBondContact O-CB 3.48Å; D54-T58 PolarHBondContact O-N 3.12Å; D54-T58 PolarHBondContact O-OG1 2.94Å; A55-T58 VanDerWaalsContact O-CB 3.32Å; A55-T58 WeakPolarHBondContact O-CB 3.46Å; A55-T58 PolarHBondContact O-N 3.34Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.5Å; T58-S60 VanDerWaalsContact C-N 3.34Å; T58-S60 PolarHBondContact O-N 3.15Å; T58-L61 PolarHBondContact O-N 3.1Å; T58-K62 PolarHBondContact O-N 3.23Å; T58-W65 HydrophobicContact CG2-CE3 3.8Å; T58-W65 HydrophobicContact CG2-CZ3 3.67Å
59	I	97.2	Very high	96.2	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-38	179.1	-63.8	164.4	0	0	0	110.8	A55 E56 K57 L61 K62 K63 Y69 K72	A55-I59 WeakPolarHBondContact O-CG1 3.24Å; A55-I59 PolarHBondContact O-N 2.93Å; A55-I59 VanDerWaalsContact O-N 3.12Å; E56-I59 PolarHBondContact O-N 3.41Å; K57-I59 PolarHBondContact O-N 3.09Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.42Å; I59-K62 CarbonylContact O-C 3.47Å; I59-K62 VanDerWaalsContact O-C 3.23Å; I59-K62 PolarHBondContact O-N 2.87Å; I59-K63 WeakPolarHBondContact O-CA 3.44Å; I59-K63 VanDerWaalsContact O-CG 3.3Å; I59-K63 WeakPolarHBondContact O-CG 3.35Å; I59-K63 PolarHBondContact O-N 2.98Å; I59-K63 VanDerWaalsContact O-N 3.16Å; I59-Y69 HydrophobicContact CD1-CD1 3.9Å; I59-Y69 HydrophobicContact CD1-CE1 4.13Å; I59-Y69 HydrophobicContact CD1-CG 4.24Å; I59-Y69 HydrophobicContact CG1-CD1 4.47Å; I59-Y69 HydrophobicContact CG1-CE1 4.47Å; I59-Y69 HydrophobicContact CG2-CE1 4.02Å; I59-Y69 HydrophobicContact CG2-CE2 4.43Å; I59-K72 HydrophobicContact CD1-CB 3.85Å; I59-K72 HydrophobicContact CD1-CD 3.79Å; I59-K72 HydrophobicContact CD1-CG 4.43Å
60	S	97.6	Very high	96.2	Very high	70 Å²	70	47.7 Å²	47.7	49%	0.49	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-34.7	178.1	79.9	0	0	0	0	113	E56 K57 T58	E56-S60 WeakPolarHBondContact O-CB 3.28Å; E56-S60 PolarHBondContact O-N 2.91Å; K57-S60 WeakPolarHBondContact CA-OG 3.19Å; K57-S60 PolarHBondContact O-N 3.28Å; K57-S60 PolarHBondContact O-OG 3.15Å; T58-S60 VanDerWaalsContact C-N 3.34Å; T58-S60 PolarHBondContact O-N 3.15Å
61	L	97.6	Very high	96.1	Very high	59 Å²	59	49 Å²	49	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-81	-31.9	179.1	-70	173.5	0	0	0	112.3	H32 Y35 K57 T58 I59	H32-L61 HydrophobicContact CB-CB 3.79Å; H32-L61 HydrophobicContact CB-CD1 4.35Å; Y35-L61 HydrophobicContact CD2-CD1 3.48Å; Y35-L61 VanDerWaalsContact CD2-CD1 3.48Å; Y35-L61 HydrophobicContact CE2-CD1 3.49Å; Y35-L61 VanDerWaalsContact CE2-CD1 3.49Å; Y35-L61 HydrophobicContact CG-CD1 4.4Å; K57-L61 HydrophobicContact CG-CD1 4.31Å; K57-L61 WeakPolarHBondContact O-CG 3.36Å; K57-L61 PolarHBondContact O-N 3.14Å; T58-L61 PolarHBondContact O-N 3.1Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.42Å
62	K	96.8	Very high	96.1	Very high	75 Å²	75	51.5 Å²	51.5	33%	0.326	25%	0.249	S	C	.	.			trans	-146.2	93.5	176.7	-167.6	173.1	176.3	132.4	0	111.6	H32 T58 I59 D64 W65	H32-K62 HydrophobicContact CB-CB 4.09Å; H32-K62 VanDerWaalsContact CE1-CD 3.43Å; H32-K62 WeakPolarHBondContact CE1-CD 3.37Å; H32-K62 WeakPolarHBondContact NE2-CD 3.44Å; T58-K62 PolarHBondContact O-N 3.23Å; I59-K62 CarbonylContact O-C 3.47Å; I59-K62 VanDerWaalsContact O-C 3.23Å; I59-K62 PolarHBondContact O-N 2.87Å; K62-D64 VanDerWaalsContact CE-OD1 3.23Å; K62-D64 WeakPolarHBondContact CE-OD1 3.39Å; K62-D64 WeakPolarHBondContact CG-OD1 3.28Å; K62-D64 PolarHBondContact O-N 2.97Å; K62-W65 HydrophobicContact CB-CB 4.24Å; K62-W65 HydrophobicContact CD-CB 3.79Å; K62-W65 HydrophobicContact CD-CG 4.19Å; K62-W65 HydrophobicContact CG-CB 3.77Å; K62-W65 PolarHBondContact O-N 3.22Å
63	K	96.4	Very high	95.9	Very high	141 Å²	141	50.9 Å²	50.9	61%	0.613	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.7	-173.7	-68.2	-176.8	-179.3	-179.8	0	114.3	I59 W65 Y69 Y95	I59-K63 WeakPolarHBondContact O-CA 3.44Å; I59-K63 VanDerWaalsContact O-CG 3.3Å; I59-K63 WeakPolarHBondContact O-CG 3.35Å; I59-K63 PolarHBondContact O-N 2.98Å; I59-K63 VanDerWaalsContact O-N 3.16Å; K63-W65 VanDerWaalsContact C-N 3.29Å; K63-W65 PolarHBondContact O-N 3.46Å; K63-Y69 WeakPolarHBondContact O-CE2 3.42Å; K63-Y69 PolarHBondContact O-OH 3.49Å; K63-Y95 WeakPolarHBondContact O-CE2 3.31Å
64	D	95.4	Very high	95.5	Very high	97 Å²	97	48.6 Å²	48.6	52%	0.519	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.2	-177.8	66.7	-28.4	0	0	0	113	K62 P66 Y95	K62-D64 VanDerWaalsContact CE-OD1 3.23Å; K62-D64 WeakPolarHBondContact CE-OD1 3.39Å; K62-D64 WeakPolarHBondContact CG-OD1 3.28Å; K62-D64 PolarHBondContact O-N 2.97Å; D64-P66 WeakPolarHBondContact O-CD 3.22Å; D64-Y95 HydrophobicContact CB-CD1 4.04Å; D64-Y95 HydrophobicContact CB-CE1 4.27Å
65	W	93.4	Very high	95.2	Very high	50 Å²	50	48.3 Å²	48.3	19%	0.189	23%	0.234	C	C	.	.			trans	-106.8	104.6	-177.5	-165.7	55.5	0	0	0	112.6	H32 V33 T58 K62 K63 K67 G68	H32-W65 AromaticContact CD2-CD2 3.82Å; H32-W65 AromaticContact CD2-CE3 3.52Å; H32-W65 AromaticContact CD2-CZ3 3.7Å; V33-W65 HydrophobicContact CG2-CH2 4.2Å; V33-W65 HydrophobicContact CG2-CZ2 4.39Å; T58-W65 HydrophobicContact CG2-CE3 3.8Å; T58-W65 HydrophobicContact CG2-CZ3 3.67Å; K62-W65 HydrophobicContact CB-CB 4.24Å; K62-W65 HydrophobicContact CD-CB 3.79Å; K62-W65 HydrophobicContact CD-CG 4.19Å; K62-W65 HydrophobicContact CG-CB 3.77Å; K62-W65 PolarHBondContact O-N 3.22Å; K63-W65 VanDerWaalsContact C-N 3.29Å; K63-W65 PolarHBondContact O-N 3.46Å; W65-K67 HydrophobicContact CD2-CB 3.88Å; W65-K67 HydrophobicContact CE3-CB 3.92Å; W65-K67 HydrophobicContact CH2-CB 3.84Å; W65-K67 HydrophobicContact CH2-CD 4.15Å; W65-K67 HydrophobicContact CZ2-CB 3.78Å; W65-K67 HydrophobicContact CZ2-CD 3.54Å; W65-K67 HydrophobicContact CZ2-CG 4.15Å; W65-K67 HydrophobicContact CZ3-CB 3.89Å; W65-K67 PolarHBondContact O-N 2.84Å; W65-G68 PolarHBondContact O-N 3.45Å
66	P	93.2	Very high	94.8	Very high	19 Å²	19	48.3 Å²	48.3	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-54	-33.3	-174.9	-27.4	32.3	0	0	0	114.5	D64 G68 Y69 S70 D96 L102	D64-P66 WeakPolarHBondContact O-CD 3.22Å; P66-G68 PolarHBondContact O-N 3.28Å; P66-Y69 PolarHBondContact O-N 2.91Å; P66-S70 PolarHBondContact O-N 2.66Å; P66-S70 VanDerWaalsContact O-N 3.15Å; P66-D96 HydrophobicContact CB-CB 3.95Å; P66-D96 HydrophobicContact CG-CB 3.29Å; P66-L102 HydrophobicContact CB-CD1 3.88Å
67	K	91.1	Very high	94.3	Very high	116 Å²	116	46 Å²	46	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-28.3	-179.8	-67.9	-177	179.3	178.5	0	112.9	W65 S70 R71 L101	W65-K67 HydrophobicContact CD2-CB 3.88Å; W65-K67 HydrophobicContact CE3-CB 3.92Å; W65-K67 HydrophobicContact CH2-CB 3.84Å; W65-K67 HydrophobicContact CH2-CD 4.15Å; W65-K67 HydrophobicContact CZ2-CB 3.78Å; W65-K67 HydrophobicContact CZ2-CD 3.54Å; W65-K67 HydrophobicContact CZ2-CG 4.15Å; W65-K67 HydrophobicContact CZ3-CB 3.89Å; W65-K67 PolarHBondContact O-N 2.84Å; K67-S70 WeakPolarHBondContact O-CB 3.42Å; K67-S70 PolarHBondContact O-N 3.08Å; K67-R71 WeakPolarHBondContact O-CG 3.49Å; K67-R71 PolarHBondContact O-N 2.81Å; K67-R71 VanDerWaalsContact O-N 3.08Å; K67-L101 HydrophobicContact CG-CD2 4.26Å
68	G	93.8	Very high	93.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-45.9	175.1	0	0	0	0	0	112	W65 P66 S70 R71 K72	W65-G68 PolarHBondContact O-N 3.45Å; P66-G68 PolarHBondContact O-N 3.28Å; G68-S70 VanDerWaalsContact C-N 3.29Å; G68-S70 PolarHBondContact O-N 3.41Å; G68-R71 WeakPolarHBondContact O-CB 3.42Å; G68-R71 PolarHBondContact O-N 3.47Å; G68-K72 PolarHBondContact O-N 3.06Å
69	Y	96.9	Very high	92.8	Very high	19 Å²	19	47.8 Å²	47.8	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-34	174.7	-63	-84.1	0	0	0	112.7	I59 K63 P66 K72 G73 S88 E91 G92 Y95	I59-Y69 HydrophobicContact CD1-CD1 3.9Å; I59-Y69 HydrophobicContact CD1-CE1 4.13Å; I59-Y69 HydrophobicContact CD1-CG 4.24Å; I59-Y69 HydrophobicContact CG1-CD1 4.47Å; I59-Y69 HydrophobicContact CG1-CE1 4.47Å; I59-Y69 HydrophobicContact CG2-CE1 4.02Å; I59-Y69 HydrophobicContact CG2-CE2 4.43Å; K63-Y69 WeakPolarHBondContact O-CE2 3.42Å; K63-Y69 PolarHBondContact O-OH 3.49Å; P66-Y69 PolarHBondContact O-N 2.91Å; Y69-K72 PolarHBondContact O-N 2.75Å; Y69-G73 PolarHBondContact O-N 2.86Å; Y69-S88 WeakPolarHBondContact CB-O 3.45Å; Y69-S88 PolarHBondContact O-OG 3.34Å; Y69-E91 HydrophobicContact CD1-CB 3.85Å; Y69-E91 HydrophobicContact CE1-CB 3.81Å; Y69-G92 VanDerWaalsContact CG-CA 3.45Å; Y69-Y95 HydrophobicContact CD2-CD2 4.44Å; Y69-Y95 AromaticContact CE2-CD2 3.7Å; Y69-Y95 HydrophobicContact CE2-CD2 3.7Å; Y69-Y95 AromaticContact CE2-CE2 3.69Å; Y69-Y95 HydrophobicContact CE2-CE2 3.69Å; Y69-Y95 AromaticContact CZ-CE2 3.55Å; Y69-Y95 WeakPolarHBondContact OH-CE2 3.32Å
70	S	94	Very high	92	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-43.3	172.8	-177.6	0	0	0	0	112.3	P66 K67 G68 A74 L101	P66-S70 PolarHBondContact O-N 2.66Å; P66-S70 VanDerWaalsContact O-N 3.15Å; K67-S70 WeakPolarHBondContact O-CB 3.42Å; K67-S70 PolarHBondContact O-N 3.08Å; G68-S70 VanDerWaalsContact C-N 3.29Å; G68-S70 PolarHBondContact O-N 3.41Å; S70-A74 WeakPolarHBondContact O-CB 3.3Å; S70-A74 PolarHBondContact O-N 3.47Å; S70-L101 WeakPolarHBondContact OG-CD2 3.48Å; S70-L101 WeakPolarHBondContact OG-CG 3.31Å
71	R	94.9	Very high	91.2	Very high	76 Å²	76	49.9 Å²	49.9	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-44.3	175.3	-66.6	-65.7	-178.2	-120.5	3.4	111.8	S36 A55 K67 G68 A74 A75	S36-R71 WeakPolarHBondContact O-CD 3.42Å; S36-R71 PolarHBondContact O-NE 3.15Å; S36-R71 WeakPolarHBondContact OG-CG 3.45Å; S36-R71 PolarHBondContact OG-NE 3.42Å; A55-R71 HydrophobicContact CB-CB 3.75Å; K67-R71 WeakPolarHBondContact O-CG 3.49Å; K67-R71 PolarHBondContact O-N 2.81Å; K67-R71 VanDerWaalsContact O-N 3.08Å; G68-R71 WeakPolarHBondContact O-CB 3.42Å; G68-R71 PolarHBondContact O-N 3.47Å; R71-A74 PolarHBondContact O-N 2.87Å; R71-A75 PolarHBondContact O-N 2.9Å
72	K	96.7	Very high	90.5	Very high	51 Å²	51	50.1 Å²	50.1	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-46.3	179.1	176.8	170.5	179.6	156.7	0	110.8	L52 A55 E56 I59 G68 Y69 A74 A75 L76 S88	L52-K72 HydrophobicContact CD1-CG 3.92Å; A55-K72 HydrophobicContact CB-CB 3.84Å; E56-K72 HydrophobicContact CG-CD 4.02Å; E56-K72 IonicContact OE1-NZ 3.58Å; E56-K72 PolarHBondContact OE1-NZ 3.4Å; I59-K72 HydrophobicContact CD1-CB 3.85Å; I59-K72 HydrophobicContact CD1-CD 3.79Å; I59-K72 HydrophobicContact CD1-CG 4.43Å; G68-K72 PolarHBondContact O-N 3.06Å; Y69-K72 PolarHBondContact O-N 2.75Å; K72-A74 VanDerWaalsContact C-N 3.31Å; K72-A74 PolarHBondContact O-N 3.3Å; K72-A75 PolarHBondContact O-N 3.2Å; K72-L76 HydrophobicContact CD-CD1 4.39Å; K72-L76 HydrophobicContact CG-CD1 3.7Å; K72-L76 HydrophobicContact CG-CG 4.34Å; K72-L76 WeakPolarHBondContact O-CB 3.38Å; K72-L76 VanDerWaalsContact O-CG 3.31Å; K72-L76 WeakPolarHBondContact O-CG 3.31Å; K72-L76 PolarHBondContact O-N 3.09Å; K72-S88 WeakPolarHBondContact CB-OG 3.45Å; K72-S88 WeakPolarHBondContact CG-OG 3.29Å
73	G	92.6	Very high	89.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-40	175	0	0	0	0	0	112.9	Y69 S77 A85 S88 Y89	Y69-G73 PolarHBondContact O-N 2.86Å; G73-S77 WeakPolarHBondContact O-CB 3.24Å; G73-S77 PolarHBondContact O-N 2.86Å; G73-S77 PolarHBondContact O-OG 2.89Å; G73-A85 WeakPolarHBondContact O-CB 3.24Å; G73-S88 PolarHBondContact N-OG 2.97Å; G73-Y89 PolarHBondContact O-OH 3.01Å
74	A	90.9	Very high	89.1	Confident	37 Å²	37	48 Å²	48	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-44.8	177.1	0	0	0	0	0	112.3	S70 R71 K72 S77 L78 Y89	S70-A74 WeakPolarHBondContact O-CB 3.3Å; S70-A74 PolarHBondContact O-N 3.47Å; R71-A74 PolarHBondContact O-N 2.87Å; K72-A74 VanDerWaalsContact C-N 3.31Å; K72-A74 PolarHBondContact O-N 3.3Å; A74-S77 PolarHBondContact O-N 2.86Å; A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 2.95Å; A74-Y89 PolarHBondContact N-OH 2.9Å; A74-Y89 VanDerWaalsContact N-OH 3.13Å
75	A	89.3	Confident	88.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-44.8	177.7	0	0	0	0	0	112	A51 L52 R71 K72 S77 L78 L79	A51-A75 HydrophobicContact CB-CB 4Å; L52-A75 HydrophobicContact CB-CB 3.96Å; L52-A75 HydrophobicContact CD1-CB 4.43Å; R71-A75 PolarHBondContact O-N 2.9Å; K72-A75 PolarHBondContact O-N 3.2Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 3.29Å; A75-L78 PolarHBondContact O-N 3.48Å; A75-L79 WeakPolarHBondContact O-CG 3.32Å; A75-L79 PolarHBondContact O-N 3.19Å
76	L	89.6	Confident	88.6	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-39.3	175.3	-72.5	167.7	0	0	0	112	L52 K72 L78 L79 G80 R81 E84 A85	L52-L76 HydrophobicContact CD1-CD1 4.42Å; L52-L76 HydrophobicContact CD1-CD2 3.87Å; L52-L76 HydrophobicContact CD1-CG 3.79Å; L52-L76 HydrophobicContact CD2-CD2 3.79Å; K72-L76 HydrophobicContact CD-CD1 4.39Å; K72-L76 HydrophobicContact CG-CD1 3.7Å; K72-L76 HydrophobicContact CG-CG 4.34Å; K72-L76 WeakPolarHBondContact O-CB 3.38Å; K72-L76 VanDerWaalsContact O-CG 3.31Å; K72-L76 WeakPolarHBondContact O-CG 3.31Å; K72-L76 PolarHBondContact O-N 3.09Å; L76-L78 PolarHBondContact O-N 3.48Å; L76-L79 PolarHBondContact O-N 3.4Å; L76-G80 PolarHBondContact O-N 3.39Å; L76-R81 HydrophobicContact CB-CB 4.29Å; L76-R81 HydrophobicContact CD2-CB 3.9Å; L76-R81 WeakPolarHBondContact O-CA 3.2Å; L76-R81 PolarHBondContact O-N 2.93Å; L76-E84 HydrophobicContact CD1-CB 3.84Å; L76-E84 WeakPolarHBondContact CD1-O 3.06Å; L76-E84 HydrophobicContact CD2-CB 4.18Å; L76-A85 HydrophobicContact CB-CB 3.7Å
77	S	87	Confident	88.4	Confident	35 Å²	35	49.2 Å²	49.2	25%	0.245	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-41.4	175.8	-62.1	0	0	0	0	112	G73 A74 A75 L79 G80 A85	G73-S77 WeakPolarHBondContact O-CB 3.24Å; G73-S77 PolarHBondContact O-N 2.86Å; G73-S77 PolarHBondContact O-OG 2.89Å; A74-S77 PolarHBondContact O-N 2.86Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 3.29Å; S77-L79 VanDerWaalsContact C-N 3.27Å; S77-L79 PolarHBondContact O-N 3.28Å; S77-G80 PolarHBondContact O-N 3.35Å; S77-G80 VanDerWaalsContact O-N 3.1Å; S77-A85 VanDerWaalsContact OG-CB 3.28Å; S77-A85 WeakPolarHBondContact OG-CB 3.37Å
78	L	83	Confident	88.5	Confident	80 Å²	80	44 Å²	44	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-25.6	176.5	-70.3	166.1	0	0	0	112.9	A43 Y48 A74 A75 L76 G80	A43-L78 HydrophobicContact CB-CD1 3.79Å; Y48-L78 HydrophobicContact CD1-CB 3.63Å; Y48-L78 HydrophobicContact CD1-CD1 3.82Å; Y48-L78 HydrophobicContact CD1-CG 4.22Å; Y48-L78 HydrophobicContact CD2-CB 4.18Å; Y48-L78 HydrophobicContact CE1-CB 3.91Å; Y48-L78 HydrophobicContact CE1-CD1 3.89Å; Y48-L78 HydrophobicContact CE1-CD2 4.09Å; Y48-L78 HydrophobicContact CE1-CG 4.19Å; Y48-L78 HydrophobicContact CE2-CB 4.43Å; Y48-L78 HydrophobicContact CG-CB 3.78Å; A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 2.95Å; A75-L78 PolarHBondContact O-N 3.48Å; L76-L78 PolarHBondContact O-N 3.48Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.19Å
79	L	82.4	Confident	88.5	Confident	42 Å²	42	44.5 Å²	44.5	22%	0.22	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.8	171.7	-70.5	166.2	0	0	0	113.5	E49 L52 A75 L76 S77 R81	E49-L79 VanDerWaalsContact CD-CD2 3.43Å; E49-L79 HydrophobicContact CG-CD2 3.95Å; E49-L79 WeakPolarHBondContact OE1-CD2 2.96Å; L52-L79 HydrophobicContact CB-CD1 4.09Å; L52-L79 HydrophobicContact CD2-CD1 3.69Å; L52-L79 HydrophobicContact CG-CD1 4.5Å; A75-L79 WeakPolarHBondContact O-CG 3.32Å; A75-L79 PolarHBondContact O-N 3.19Å; L76-L79 PolarHBondContact O-N 3.4Å; S77-L79 VanDerWaalsContact C-N 3.27Å; S77-L79 PolarHBondContact O-N 3.28Å; L79-R81 HydrophobicContact CB-CB 4.48Å; L79-R81 HydrophobicContact CB-CG 4.16Å; L79-R81 PolarHBondContact O-N 3.47Å
80	G	79.7	Confident	88.4	Confident	43 Å²	43	46.7 Å²	46.7	44%	0.443	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.8	-172.2	0	0	0	0	0	114.1	L76 S77 L78 H82	L76-G80 PolarHBondContact O-N 3.39Å; S77-G80 PolarHBondContact O-N 3.35Å; S77-G80 VanDerWaalsContact O-N 3.1Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.19Å; G80-H82 PolarHBondContact O-CD2 2.97Å; G80-H82 PolarHBondContact O-N 3.45Å
81	R	81	Confident	88.4	Confident	97 Å²	97	50 Å²	50	37%	0.366	26%	0.258	S	S	.	.			trans	-84.6	61.7	178.3	-68.8	170.5	65.2	-178.6	1.2	110.1	L52 L76 L79 V83 E84 A85	L52-R81 VanDerWaalsContact CD2-NH1 3.28Å; L76-R81 HydrophobicContact CB-CB 4.29Å; L76-R81 HydrophobicContact CD2-CB 3.9Å; L76-R81 WeakPolarHBondContact O-CA 3.2Å; L76-R81 PolarHBondContact O-N 2.93Å; L79-R81 HydrophobicContact CB-CB 4.48Å; L79-R81 HydrophobicContact CB-CG 4.16Å; L79-R81 PolarHBondContact O-N 3.47Å; R81-V83 PolarHBondContact O-N 3.04Å; R81-E84 IonicContact CZ-OE1 3.3Å; R81-E84 VanDerWaalsContact CZ-OE1 3.32Å; R81-E84 IonicContact CZ-OE2 2.88Å; R81-E84 IonicContact NE-OE1 2.7Å; R81-E84 PolarHBondContact NE-OE1 3.07Å; R81-E84 IonicContact NE-OE2 2.68Å; R81-E84 IonicContact NH2-OE1 2.76Å; R81-E84 PolarHBondContact NH2-OE1 3.15Å; R81-E84 VanDerWaalsContact NH2-OE1 3.12Å; R81-E84 IonicContact NH2-OE2 3.37Å; R81-E84 PolarHBondContact NH2-OE2 3.21Å; R81-E84 PolarHBondContact O-N 2.91Å; R81-A85 PolarHBondContact O-N 3.09Å
82	H	82.1	Confident	88.4	Confident	63 Å²	63	46.4 Å²	46.4	29%	0.292	25%	0.245	S	C	.	.	H	α-helix	trans	-58	-56.1	-171.4	-63.3	-48.5	0	0	0	110.5	G80 E84 A85 K86 P110 W112	G80-H82 PolarHBondContact O-CD2 2.97Å; G80-H82 PolarHBondContact O-N 3.45Å; H82-E84 PolarHBondContact O-N 3.2Å; H82-A85 WeakPolarHBondContact O-CA 3.25Å; H82-A85 VanDerWaalsContact O-CB 3.22Å; H82-A85 WeakPolarHBondContact O-CB 3.4Å; H82-A85 PolarHBondContact O-N 3.01Å; H82-K86 PolarHBondContact O-N 3.12Å; H82-P110 WeakPolarHBondContact CE1-CG 3.43Å; H82-P110 WeakPolarHBondContact ND1-CG 3.47Å; H82-W112 HydrophobicContact CB-CE3 4.42Å; H82-W112 HydrophobicContact CB-CH2 3.28Å; H82-W112 HydrophobicContact CB-CZ2 4.28Å; H82-W112 HydrophobicContact CB-CZ3 3.38Å; H82-W112 WeakPolarHBondContact O-CH2 3.37Å; H82-W112 WeakPolarHBondContact O-CZ3 3.15Å
83	V	78.3	Confident	88.3	Confident	98 Å²	98	45.5 Å²	45.5	59%	0.594	24%	0.242	S	C	*	.	H	α-helix	trans	-53.8	-40.2	-170.9	176.2	0	0	0	0	111.9	R81 K86 Q87 W112	R81-V83 PolarHBondContact O-N 3.04Å; V83-K86 PolarHBondContact O-N 3.2Å; V83-Q87 WeakPolarHBondContact O-CG 3.48Å; V83-Q87 PolarHBondContact O-N 2.87Å; V83-Q87 VanDerWaalsContact O-N 3.11Å; V83-W112 HydrophobicContact CG2-CZ3 4.38Å; V83-W112 VanDerWaalsContact N-CZ3 3.34Å
84	E	86.2	Confident	88.4	Confident	75 Å²	75	52 Å²	52	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-71.3	-34.2	176.9	-57.4	-179.4	-99.5	0	0	113.1	L76 R81 H82 Q87 S88	L76-E84 HydrophobicContact CD1-CB 3.84Å; L76-E84 WeakPolarHBondContact CD1-O 3.06Å; L76-E84 HydrophobicContact CD2-CB 4.18Å; R81-E84 IonicContact CZ-OE1 3.3Å; R81-E84 VanDerWaalsContact CZ-OE1 3.32Å; R81-E84 IonicContact CZ-OE2 2.88Å; R81-E84 IonicContact NE-OE1 2.7Å; R81-E84 PolarHBondContact NE-OE1 3.07Å; R81-E84 IonicContact NE-OE2 2.68Å; R81-E84 IonicContact NH2-OE1 2.76Å; R81-E84 PolarHBondContact NH2-OE1 3.15Å; R81-E84 VanDerWaalsContact NH2-OE1 3.12Å; R81-E84 IonicContact NH2-OE2 3.37Å; R81-E84 PolarHBondContact NH2-OE2 3.21Å; R81-E84 PolarHBondContact O-N 2.91Å; H82-E84 PolarHBondContact O-N 3.2Å; E84-Q87 PolarHBondContact O-N 3.48Å; E84-S88 WeakPolarHBondContact O-CB 3.27Å; E84-S88 PolarHBondContact O-N 2.96Å
85	A	88	Confident	88.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-46.1	172.8	0	0	0	0	0	111.6	G73 L76 S77 R81 H82 S88 Y89	G73-A85 WeakPolarHBondContact O-CB 3.24Å; L76-A85 HydrophobicContact CB-CB 3.7Å; S77-A85 VanDerWaalsContact OG-CB 3.28Å; S77-A85 WeakPolarHBondContact OG-CB 3.37Å; R81-A85 PolarHBondContact O-N 3.09Å; H82-A85 WeakPolarHBondContact O-CA 3.25Å; H82-A85 VanDerWaalsContact O-CB 3.22Å; H82-A85 WeakPolarHBondContact O-CB 3.4Å; H82-A85 PolarHBondContact O-N 3.01Å; A85-S88 WeakPolarHBondContact O-CB 3.49Å; A85-S88 PolarHBondContact O-N 3.26Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å; A85-Y89 WeakPolarHBondContact O-CD2 3.4Å; A85-Y89 PolarHBondContact O-N 3.01Å
86	K	89.4	Confident	88.8	Confident	82 Å²	82	58 Å²	58	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-49.7	175.8	-177	-175.7	171.7	-171.2	0	110.8	H82 V83 S88 Y89 D90 W112	H82-K86 PolarHBondContact O-N 3.12Å; V83-K86 PolarHBondContact O-N 3.2Å; K86-S88 VanDerWaalsContact C-N 3.25Å; K86-S88 PolarHBondContact O-N 3.28Å; K86-Y89 PolarHBondContact O-N 3.47Å; K86-D90 PolarHBondContact O-N 2.93Å; K86-W112 HydrophobicContact CB-CE3 4.45Å; K86-W112 HydrophobicContact CB-CH2 3.77Å; K86-W112 HydrophobicContact CB-CZ2 3.87Å; K86-W112 HydrophobicContact CB-CZ3 4.04Å; K86-W112 HydrophobicContact CD-CD2 4.27Å; K86-W112 HydrophobicContact CD-CE3 4.41Å
87	Q	90.5	Very high	89	Confident	109 Å²	109	61.9 Å²	61.9	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-54.5	-43.2	175.9	-72.4	172.1	-10.5	0	0	111.6	V83 E84 Y89 D90 E91	V83-Q87 WeakPolarHBondContact O-CG 3.48Å; V83-Q87 PolarHBondContact O-N 2.87Å; V83-Q87 VanDerWaalsContact O-N 3.11Å; E84-Q87 PolarHBondContact O-N 3.48Å; Q87-Y89 PolarHBondContact O-N 3.12Å; Q87-D90 PolarHBondContact O-N 3.47Å; Q87-E91 WeakPolarHBondContact O-CG 3.26Å; Q87-E91 PolarHBondContact O-N 3.13Å
88	S	92.8	Very high	89.3	Confident	7 Å²	7	66.2 Å²	66.2	5%	0.049	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-44.7	176.1	-175.6	0	0	0	0	112.2	Y69 K72 G73 E84 A85 K86 E91 G92	Y69-S88 WeakPolarHBondContact CB-O 3.45Å; Y69-S88 PolarHBondContact O-OG 3.34Å; K72-S88 WeakPolarHBondContact CB-OG 3.45Å; K72-S88 WeakPolarHBondContact CG-OG 3.29Å; G73-S88 PolarHBondContact N-OG 2.97Å; E84-S88 WeakPolarHBondContact O-CB 3.27Å; E84-S88 PolarHBondContact O-N 2.96Å; A85-S88 WeakPolarHBondContact O-CB 3.49Å; A85-S88 PolarHBondContact O-N 3.26Å; K86-S88 VanDerWaalsContact C-N 3.25Å; K86-S88 PolarHBondContact O-N 3.28Å; S88-E91 PolarHBondContact O-N 3.06Å; S88-G92 PolarHBondContact O-N 3.23Å; S88-G92 VanDerWaalsContact O-N 3.08Å
89	Y	93.6	Very high	89.6	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-42.2	176.9	-63.9	-55	0	0	0	112.4	G73 A74 A85 K86 Q87 E91 G92 L93 L102 G105 I106	G73-Y89 PolarHBondContact O-OH 3.01Å; A74-Y89 PolarHBondContact N-OH 2.9Å; A74-Y89 VanDerWaalsContact N-OH 3.13Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å; A85-Y89 WeakPolarHBondContact O-CD2 3.4Å; A85-Y89 PolarHBondContact O-N 3.01Å; K86-Y89 PolarHBondContact O-N 3.47Å; Q87-Y89 PolarHBondContact O-N 3.12Å; Y89-E91 PolarHBondContact O-N 3.2Å; Y89-G92 PolarHBondContact O-N 3.36Å; Y89-G92 VanDerWaalsContact O-N 3.16Å; Y89-L93 WeakPolarHBondContact O-CG 3.32Å; Y89-L93 PolarHBondContact O-N 2.98Å; Y89-L102 HydrophobicContact CD1-CD2 3.84Å; Y89-G105 VanDerWaalsContact CE2-C 3.44Å; Y89-G105 VanDerWaalsContact CE2-O 3.31Å; Y89-G105 WeakPolarHBondContact CE2-O 3.41Å; Y89-I106 VanDerWaalsContact CB-CG1 3.45Å; Y89-I106 HydrophobicContact CD2-CG1 4.1Å; Y89-I106 HydrophobicContact CG-CG1 4.06Å
90	D	93.7	Very high	90	Very high	65 Å²	65	68.1 Å²	68.1	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-42	177.2	-69.7	-24.4	0	0	0	111.2	K86 Q87 G92 L93 K94 I106	K86-D90 PolarHBondContact O-N 2.93Å; Q87-D90 PolarHBondContact O-N 3.47Å; D90-G92 PolarHBondContact O-N 2.89Å; D90-L93 PolarHBondContact O-N 3.08Å; D90-K94 PolarHBondContact O-N 3.25Å; D90-I106 VanDerWaalsContact OD1-CD1 3.31Å; D90-I106 WeakPolarHBondContact OD1-CD1 3.16Å
91	E	94.3	Very high	90.3	Very high	79 Å²	79	69.5 Å²	69.5	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-41.2	172.7	-72.5	-56	139.9	0	0	112.1	Y69 Q87 S88 Y89 L93 K94 Y95	Y69-E91 HydrophobicContact CD1-CB 3.85Å; Y69-E91 HydrophobicContact CE1-CB 3.81Å; Q87-E91 WeakPolarHBondContact O-CG 3.26Å; Q87-E91 PolarHBondContact O-N 3.13Å; S88-E91 PolarHBondContact O-N 3.06Å; Y89-E91 PolarHBondContact O-N 3.2Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.06Å; E91-K94 WeakPolarHBondContact O-CB 3.33Å; E91-K94 PolarHBondContact O-N 3.44Å; E91-K94 WeakPolarHBondContact OE1-CE 3.42Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 3.27Å; E91-K94 WeakPolarHBondContact OE2-CD 3.5Å; E91-K94 WeakPolarHBondContact OE2-CE 3.48Å; E91-K94 IonicContact OE2-NZ 3.56Å; E91-K94 PolarHBondContact OE2-NZ 3Å; E91-Y95 WeakPolarHBondContact O-CD2 3.42Å
92	G	94.7	Very high	90.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-36.8	176.2	0	0	0	0	0	113.2	Y69 S88 Y89 D90 K94 Y95 D96	Y69-G92 VanDerWaalsContact CG-CA 3.45Å; S88-G92 PolarHBondContact O-N 3.23Å; S88-G92 VanDerWaalsContact O-N 3.08Å; Y89-G92 PolarHBondContact O-N 3.36Å; Y89-G92 VanDerWaalsContact O-N 3.16Å; D90-G92 PolarHBondContact O-N 2.89Å; G92-K94 PolarHBondContact O-N 3.47Å; G92-Y95 PolarHBondContact O-N 2.94Å; G92-D96 PolarHBondContact O-N 3.26Å
93	L	94.3	Very high	91.1	Very high	32 Å²	32	66 Å²	66	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-18.2	179.1	-75.6	175.1	0	0	0	112.7	Y89 D90 E91 Y95 D96 P97 L102 K103 I106	Y89-L93 WeakPolarHBondContact O-CG 3.32Å; Y89-L93 PolarHBondContact O-N 2.98Å; D90-L93 PolarHBondContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.06Å; L93-Y95 PolarHBondContact O-N 2.68Å; L93-D96 WeakPolarHBondContact CD2-O 3.25Å; L93-D96 CarbonylContact O-C 3.58Å; L93-P97 VanDerWaalsContact O-CA 3.24Å; L93-P97 WeakPolarHBondContact O-CA 3.45Å; L93-P97 WeakPolarHBondContact O-CD 3.46Å; L93-P97 WeakPolarHBondContact O-CG 3.37Å; L93-P97 VanDerWaalsContact O-N 3.08Å; L93-L102 HydrophobicContact CD2-CB 3.7Å; L93-L102 HydrophobicContact CD2-CD1 4.05Å; L93-L102 HydrophobicContact CG-CB 3.93Å; L93-L102 HydrophobicContact CG-CD1 4.14Å; L93-K103 HydrophobicContact CD2-CG 4.09Å; L93-I106 HydrophobicContact CD1-CD1 3.42Å; L93-I106 VanDerWaalsContact CD1-CD1 3.42Å
94	K	95.8	Very high	91.4	Very high	136 Å²	136	65.8 Å²	65.8	59%	0.591	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.4	170.7	-60.7	179.8	-173.8	169.2	0	112.4	D90 E91 G92	D90-K94 PolarHBondContact O-N 3.25Å; E91-K94 WeakPolarHBondContact O-CB 3.33Å; E91-K94 PolarHBondContact O-N 3.44Å; E91-K94 WeakPolarHBondContact OE1-CE 3.42Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 3.27Å; E91-K94 WeakPolarHBondContact OE2-CD 3.5Å; E91-K94 WeakPolarHBondContact OE2-CE 3.48Å; E91-K94 IonicContact OE2-NZ 3.56Å; E91-K94 PolarHBondContact OE2-NZ 3Å; G92-K94 PolarHBondContact O-N 3.47Å
95	Y	94.2	Very high	91.1	Very high	109 Å²	109	62.4 Å²	62.4	43%	0.427	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-29.7	179.5	-59.9	-80.6	0	0	0	113.1	K63 D64 Y69 E91 G92 L93	K63-Y95 WeakPolarHBondContact O-CE2 3.31Å; D64-Y95 HydrophobicContact CB-CD1 4.04Å; D64-Y95 HydrophobicContact CB-CE1 4.27Å; Y69-Y95 HydrophobicContact CD2-CD2 4.44Å; Y69-Y95 AromaticContact CE2-CD2 3.7Å; Y69-Y95 HydrophobicContact CE2-CD2 3.7Å; Y69-Y95 AromaticContact CE2-CE2 3.69Å; Y69-Y95 HydrophobicContact CE2-CE2 3.69Å; Y69-Y95 AromaticContact CZ-CE2 3.55Å; Y69-Y95 WeakPolarHBondContact OH-CE2 3.32Å; E91-Y95 WeakPolarHBondContact O-CD2 3.42Å; G92-Y95 PolarHBondContact O-N 2.94Å; L93-Y95 PolarHBondContact O-N 2.68Å
96	D	93.8	Very high	90.8	Very high	56 Å²	56	64.2 Å²	64.2	30%	0.299	31%	0.314	S	S	.	.			trans	-141.3	88.2	172.2	176.3	11.3	0	0	0	110.3	P66 G92 L93 N98 S99	P66-D96 HydrophobicContact CB-CB 3.95Å; P66-D96 HydrophobicContact CG-CB 3.29Å; G92-D96 PolarHBondContact O-N 3.26Å; L93-D96 WeakPolarHBondContact CD2-O 3.25Å; L93-D96 CarbonylContact O-C 3.58Å; D96-N98 PolarHBondContact O-N 2.92Å; D96-N98 VanDerWaalsContact O-N 3.09Å; D96-N98 PolarHBondContact OD1-N 3.4Å; D96-N98 VanDerWaalsContact OD1-N 3.11Å; D96-S99 WeakPolarHBondContact O-CB 3.34Å; D96-S99 PolarHBondContact O-N 2.99Å; D96-S99 VanDerWaalsContact O-N 3.13Å; D96-S99 PolarHBondContact OD1-N 3.05Å; D96-S99 VanDerWaalsContact OD1-N 3.13Å; D96-S99 WeakPolarHBondContact OD2-CA 3.38Å; D96-S99 WeakPolarHBondContact OD2-CB 3.43Å; D96-S99 PolarHBondContact OD2-OG 3.38Å
97	P	94	Very high	90.1	Very high	82 Å²	82	68.5 Å²	68.5	53%	0.532	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.5	180	-24.4	33.8	0	0	0	114	L93 K103	L93-P97 VanDerWaalsContact O-CA 3.24Å; L93-P97 WeakPolarHBondContact O-CA 3.45Å; L93-P97 WeakPolarHBondContact O-CD 3.46Å; L93-P97 WeakPolarHBondContact O-CG 3.37Å; L93-P97 VanDerWaalsContact O-N 3.08Å; P97-K103 WeakPolarHBondContact O-CE 3.22Å; P97-K103 PolarHBondContact O-NZ 3.48Å
98	N	93.1	Very high	88.7	Confident	127 Å²	127	71.6 Å²	71.6	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	2.8	-178.5	-70.5	-34	0	0	0	113.4	D96 E100	D96-N98 PolarHBondContact O-N 2.92Å; D96-N98 VanDerWaalsContact O-N 3.09Å; D96-N98 PolarHBondContact OD1-N 3.4Å; D96-N98 VanDerWaalsContact OD1-N 3.11Å; N98-E100 PolarHBondContact O-N 3.39Å
99	S	90.3	Very high	86.8	Confident	16 Å²	16	78.5 Å²	78.5	11%	0.112	36%	0.364	C	S	.	.			trans	-62	104	-178.2	-154.1	0	0	0	0	112.4	D96 L101 L102 K103	D96-S99 WeakPolarHBondContact O-CB 3.34Å; D96-S99 PolarHBondContact O-N 2.99Å; D96-S99 VanDerWaalsContact O-N 3.13Å; D96-S99 PolarHBondContact OD1-N 3.05Å; D96-S99 VanDerWaalsContact OD1-N 3.13Å; D96-S99 WeakPolarHBondContact OD2-CA 3.38Å; D96-S99 WeakPolarHBondContact OD2-CB 3.43Å; D96-S99 PolarHBondContact OD2-OG 3.38Å; S99-L101 PolarHBondContact O-N 3.42Å; S99-L102 PolarHBondContact O-N 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.41Å; S99-K103 PolarHBondContact O-N 3.26Å
100	E	90	Very high	84.5	Confident	145 Å²	145	80.4 Å²	80.4	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-58.4	-37.5	174.1	-71	-171.9	175.3	0	0	111.6	N98 L102 K103 Q104	N98-E100 PolarHBondContact O-N 3.39Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 2.96Å; E100-K103 PolarHBondContact O-N 3.41Å; E100-Q104 VanDerWaalsContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CB 3.44Å; E100-Q104 VanDerWaalsContact O-CG 3.22Å; E100-Q104 WeakPolarHBondContact O-CG 3.22Å; E100-Q104 PolarHBondContact O-N 3.03Å
101	L	85.9	Confident	81.9	Confident	73 Å²	73	85 Å²	85	38%	0.382	40%	0.395	S	S	.	.	H	α-helix	trans	-58.4	-43.7	178.3	-179.1	68.9	0	0	0	112.2	K67 S70 S99 G105	K67-L101 HydrophobicContact CG-CD2 4.26Å; S70-L101 WeakPolarHBondContact OG-CD2 3.48Å; S70-L101 WeakPolarHBondContact OG-CG 3.31Å; S99-L101 PolarHBondContact O-N 3.42Å; L101-G105 PolarHBondContact O-N 2.7Å; L101-G105 VanDerWaalsContact O-N 3.1Å
102	L	88.9	Confident	79.3	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-74.5	-42.6	178.6	-64.1	175.8	0	0	0	111.4	P66 Y89 L93 S99 E100 Q104 G105 I106	P66-L102 HydrophobicContact CB-CD1 3.88Å; Y89-L102 HydrophobicContact CD1-CD2 3.84Å; L93-L102 HydrophobicContact CD2-CB 3.7Å; L93-L102 HydrophobicContact CD2-CD1 4.05Å; L93-L102 HydrophobicContact CG-CB 3.93Å; L93-L102 HydrophobicContact CG-CD1 4.14Å; S99-L102 PolarHBondContact O-N 2.97Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 2.96Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.23Å; L102-G105 WeakPolarHBondContact O-CA 3.38Å; L102-G105 PolarHBondContact O-N 3.14Å; L102-I106 PolarHBondContact O-N 3.43Å
103	K	90.7	Very high	76.2	Confident	85 Å²	85	86.4 Å²	86.4	37%	0.37	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-40.2	174.8	-70.1	177.5	-177.5	173.4	0	111.6	L93 P97 S99 E100 I106 K107	L93-K103 HydrophobicContact CD2-CG 4.09Å; P97-K103 WeakPolarHBondContact O-CE 3.22Å; P97-K103 PolarHBondContact O-NZ 3.48Å; S99-K103 WeakPolarHBondContact O-CG 3.41Å; S99-K103 PolarHBondContact O-N 3.26Å; E100-K103 PolarHBondContact O-N 3.41Å; K103-I106 PolarHBondContact O-N 3.27Å; K103-K107 WeakPolarHBondContact O-CB 3.24Å; K103-K107 WeakPolarHBondContact O-CG 3.4Å; K103-K107 PolarHBondContact O-N 2.91Å
104	Q	85.1	Confident	73.4	Confident	94 Å²	94	93.2 Å²	93.2	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-39.6	173.2	-75.6	179.7	15.2	0	0	111.7	E100 L102 I106 K107 R108	E100-Q104 VanDerWaalsContact O-CB 3.29Å; E100-Q104 WeakPolarHBondContact O-CB 3.44Å; E100-Q104 VanDerWaalsContact O-CG 3.22Å; E100-Q104 WeakPolarHBondContact O-CG 3.22Å; E100-Q104 PolarHBondContact O-N 3.03Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.23Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.91Å; Q104-K107 PolarHBondContact O-N 3.37Å; Q104-R108 VanDerWaalsContact O-CG 3.31Å; Q104-R108 WeakPolarHBondContact O-CG 3.3Å; Q104-R108 PolarHBondContact O-N 2.85Å
105	G	79.8	Confident	70.1	Confident	5 Å²	5	92.9 Å²	92.9	5%	0.052	46%	0.458	C	S	.	.	H	α-helix	trans	-55.8	-41.7	173	0	0	0	0	0	113.2	Y89 L101 L102	Y89-G105 VanDerWaalsContact CE2-C 3.44Å; Y89-G105 VanDerWaalsContact CE2-O 3.31Å; Y89-G105 WeakPolarHBondContact CE2-O 3.41Å; L101-G105 PolarHBondContact O-N 2.7Å; L101-G105 VanDerWaalsContact O-N 3.1Å; L102-G105 WeakPolarHBondContact O-CA 3.38Å; L102-G105 PolarHBondContact O-N 3.14Å
106	I	81.8	Confident	67.2	Low	38 Å²	38	94.5 Å²	94.5	20%	0.195	47%	0.474	C	S	.	.	H	α-helix	trans	-73.3	-41	176.5	-61.9	167.7	0	0	0	111.7	Y89 D90 L93 L102 K103 Q104 R108	Y89-I106 VanDerWaalsContact CB-CG1 3.45Å; Y89-I106 HydrophobicContact CD2-CG1 4.1Å; Y89-I106 HydrophobicContact CG-CG1 4.06Å; D90-I106 VanDerWaalsContact OD1-CD1 3.31Å; D90-I106 WeakPolarHBondContact OD1-CD1 3.16Å; L93-I106 HydrophobicContact CD1-CD1 3.42Å; L93-I106 VanDerWaalsContact CD1-CD1 3.42Å; L102-I106 PolarHBondContact O-N 3.43Å; K103-I106 PolarHBondContact O-N 3.27Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.91Å; I106-R108 PolarHBondContact O-N 3.46Å
107	K	75.2	Confident	64.2	Low	172 Å²	172	98.7 Å²	98.7	75%	0.748	50%	0.495	S	S	*	.	H	α-helix	trans	-64	-26.4	178.1	-77.7	-178	179.1	-174.5	0	112.8	K103 Q104 R109	K103-K107 WeakPolarHBondContact O-CB 3.24Å; K103-K107 WeakPolarHBondContact O-CG 3.4Å; K103-K107 PolarHBondContact O-N 2.91Å; Q104-K107 PolarHBondContact O-N 3.37Å; K107-R109 PolarHBondContact O-N 3.02Å
108	R	60.3	Low	61.1	Low	173 Å²	173	102.2 Å²	102.2	65%	0.653	51%	0.507	S	S	*	.	S	Bend	trans	-67.4	76.4	168.4	-71.5	172.3	-174	-161.6	1.1	108.9	Q104 I106 P110	Q104-R108 VanDerWaalsContact O-CG 3.31Å; Q104-R108 WeakPolarHBondContact O-CG 3.3Å; Q104-R108 PolarHBondContact O-N 2.85Å; I106-R108 PolarHBondContact O-N 3.46Å; R108-P110 WeakPolarHBondContact O-CD 3.34Å
109	R	53.5	Low	58.1	Low	153 Å²	153	100.1 Å²	100.1	58%	0.577	51%	0.508	S	S	*	.			trans	-78.6	119.7	177.4	-113.5	-172.2	-120.2	-144.6	8.2	109.9	K107 W112	K107-R109 PolarHBondContact O-N 3.02Å; R109-W112 HydrophobicContact CG-CG 4.14Å
110	P	45.3	Very low	55.1	Low	48 Å²	48	106 Å²	106	31%	0.312	54%	0.543	S	S	.	.	S	Bend	trans	-95.4	99	136.4	30.1	-20.8	0	0	0	106.2	H82 R108 W112	H82-P110 WeakPolarHBondContact CE1-CG 3.43Å; H82-P110 WeakPolarHBondContact ND1-CG 3.47Å; R108-P110 WeakPolarHBondContact O-CD 3.34Å; P110-W112 PolarHBondContact O-N 3.37Å; P110-W112 VanDerWaalsContact O-N 3.07Å
111	F	38.3	Very low	52.2	Low	162 Å²	162	104.1 Å²	104.1	71%	0.711	54%	0.543	S	S	*	.			trans	31.6	66.4	165.3	-136.4	-95.1	0	0	0	115.6	G113	F111-G113 PolarHBondContact O-N 3.16Å
112	W	39.6	Very low	49.7	Very low	41 Å²	41	110.2 Å²	110.2	16%	0.155	57%	0.567	C	S	.	*			trans	-65.3	112.7	158.8	-49	115.1	0	0	0	106.4	H82 V83 K86 R109 P110 E114	H82-W112 HydrophobicContact CB-CE3 4.42Å; H82-W112 HydrophobicContact CB-CH2 3.28Å; H82-W112 HydrophobicContact CB-CZ2 4.28Å; H82-W112 HydrophobicContact CB-CZ3 3.38Å; H82-W112 WeakPolarHBondContact O-CH2 3.37Å; H82-W112 WeakPolarHBondContact O-CZ3 3.15Å; V83-W112 HydrophobicContact CG2-CZ3 4.38Å; V83-W112 VanDerWaalsContact N-CZ3 3.34Å; K86-W112 HydrophobicContact CB-CE3 4.45Å; K86-W112 HydrophobicContact CB-CH2 3.77Å; K86-W112 HydrophobicContact CB-CZ2 3.87Å; K86-W112 HydrophobicContact CB-CZ3 4.04Å; K86-W112 HydrophobicContact CD-CD2 4.27Å; K86-W112 HydrophobicContact CD-CE3 4.41Å; R109-W112 HydrophobicContact CG-CG 4.14Å; P110-W112 PolarHBondContact O-N 3.37Å; P110-W112 VanDerWaalsContact O-N 3.07Å; W112-E114 PolarHBondContact O-N 2.92Å
113	G	30.1	Very low	46.9	Very low	67 Å²	67	115.1 Å²	115.1	69%	0.691	60%	0.601	S	S	*	*	S	Bend	trans	-57.1	106.7	179.9	0	0	0	0	0	111.1	F111	F111-G113 PolarHBondContact O-N 3.16Å
114	E	35.6	Very low	44	Very low	176 Å²	176	115.6 Å²	115.6	82%	0.822	61%	0.608	S	S	*	*			trans	-179	132.1	144.3	-100.8	167.7	-171.1	0	0	108.2	W112	W112-E114 PolarHBondContact O-N 2.92Å
115	V	27.5	Very low	41.6	Very low	128 Å²	128	116.6 Å²	116.6	78%	0.776	62%	0.623	S	S	*	*			trans	-82	130.8	-172	-173.2	0	0	0	0	108.9
116	D	33.1	Very low	39.5	Very low	143 Å²	143	124.8 Å²	124.8	77%	0.765	66%	0.657	S	S	*	*			trans	179	112.3	130.6	-88.3	-22.1	0	0	0	113.7
117	I	29.3	Very low	37.2	Very low	145 Å²	145	129 Å²	129	74%	0.744	68%	0.676	S	S	*	*			trans	15.3	129.8	145.4	-27.2	-177.4	0	0	0	121.2
118	I	30.9	Very low	35.2	Very low	155 Å²	155	125.5 Å²	125.5	80%	0.795	67%	0.669	S	S	*	*				145.2	120.5	122	-65.4	172.1	0	0	0	112.7
119	A	28.4	Very low	33.9	Very low	83 Å²	83	125.2 Å²	125.2	69%	0.686	68%	0.68	S	S	*	*			trans	14	146.2	153.6	0	0	0	0	0	120.8
120	V	28.8	Very low	33.3	Very low	140 Å²	140	124.2 Å²	124.2	85%	0.848	69%	0.685	S	S	*	*			cis	-166.4	167.5	38.8	-129.2	0	0	0	0	108.8
121	P	28.3	Very low	33.6	Very low	105 Å²	105	124.9 Å²	124.9	68%	0.682	69%	0.691	S	S	*	*			trans	-94.3	148.4	-156.6	37	-34.7	0	0	0	115
122	F	33.4	Very low	35.2	Very low	201 Å²	201	120.1 Å²	120.1	88%	0.882	67%	0.673	S	S	*	*			trans	-150.7	134.7	150.1	-106.1	-83.2	0	0	0	110.4
123	S	29.4	Very low	37.5	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	69%	0.688	S	S	*	*			trans	-70.2	125.5	-170.9	49.8	0	0	0	0	114
124	D	31.3	Very low	40.3	Very low	95 Å²	95	118.5 Å²	118.5	51%	0.508	66%	0.655	S	S	.	*			trans	-122.6	128.6	167.4	-175.6	-32.5	0	0	0	109.2	F126 Q127	D124-F126 PolarHBondContact O-N 3Å; D124-F126 PolarHBondContact OD1-N 3.1Å; D124-Q127 WeakPolarHBondContact O-CB 3.47Å; D124-Q127 PolarHBondContact O-N 2.9Å
125	P	33.6	Very low	42.7	Very low	115 Å²	115	113.4 Å²	113.4	75%	0.747	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-6.2	177.6	-23.6	32.8	0	0	0	116.7	T128	P125-T128 PolarHBondContact O-OG1 3.4Å
126	F	35.1	Very low	45.5	Very low	177 Å²	177	113.3 Å²	113.3	78%	0.776	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-3.4	168.9	-83.3	-84.3	0	0	0	115.1	D124 T128	D124-F126 PolarHBondContact O-N 3Å; D124-F126 PolarHBondContact OD1-N 3.1Å; F126-T128 PolarHBondContact O-N 3.46Å; F126-T128 VanDerWaalsContact O-N 3.12Å
127	Q	34.7	Very low	48.5	Very low	126 Å²	126	108.5 Å²	108.5	59%	0.589	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-58.4	-21.2	169.8	-87.3	-161.2	-15.2	0	0	112.5	D124 L129 L130 S131	D124-Q127 WeakPolarHBondContact O-CB 3.47Å; D124-Q127 PolarHBondContact O-N 2.9Å; Q127-L129 PolarHBondContact O-N 3.03Å; Q127-L130 CarbonylContact O-C 3.38Å; Q127-L130 PolarHBondContact O-N 3.44Å; Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 2.88Å; Q127-S131 PolarHBondContact O-OG 2.95Å
128	T	31.9	Very low	51.5	Low	98 Å²	98	102.9 Å²	102.9	60%	0.601	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-65.5	-12.3	-171.6	-26.8	0	0	0	0	115.1	P125 F126 S131	P125-T128 PolarHBondContact O-OG1 3.4Å; F126-T128 PolarHBondContact O-N 3.46Å; F126-T128 VanDerWaalsContact O-N 3.12Å; T128-S131 VanDerWaalsContact CA-OG 3.24Å; T128-S131 WeakPolarHBondContact CA-OG 3.35Å; T128-S131 PolarHBondContact O-OG 3.47Å
129	L	34.4	Very low	54.3	Low	168 Å²	168	99.4 Å²	99.4	88%	0.88	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-98.6	-11.3	174.4	-134.1	80.1	0	0	0	114.1	Q127	Q127-L129 PolarHBondContact O-N 3.03Å
130	L	40.1	Very low	57.4	Low	132 Å²	132	97.4 Å²	97.4	69%	0.691	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	0.9	169.7	-89.5	160	0	0	0	111.9	Q127	Q127-L130 CarbonylContact O-C 3.38Å; Q127-L130 PolarHBondContact O-N 3.44Å
131	S	51	Low	60.6	Low	62 Å²	62	90.7 Å²	90.7	43%	0.434	49%	0.485	S	S	.	.			trans	-95.4	-2.7	-179.5	75.4	0	0	0	0	113.6	Q127 T128 P133	Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 2.88Å; Q127-S131 PolarHBondContact O-OG 2.95Å; T128-S131 VanDerWaalsContact CA-OG 3.24Å; T128-S131 WeakPolarHBondContact CA-OG 3.35Å; T128-S131 PolarHBondContact O-OG 3.47Å; S131-P133 WeakPolarHBondContact O-CD 3.38Å
132	N	73	Confident	63.7	Low	61 Å²	61	87 Å²	87	33%	0.326	46%	0.459	S	S	.	.			trans	-77.4	103.6	175.5	-173.7	-18.6	0	0	0	107.8	A134 M135 K136	N132-A134 PolarHBondContact O-N 3.15Å; N132-A134 VanDerWaalsContact OD1-CB 3.26Å; N132-A134 WeakPolarHBondContact OD1-CB 3.35Å; N132-A134 PolarHBondContact OD1-N 3.38Å; N132-M135 HydrophobicContact CB-CB 4.07Å; N132-M135 HydrophobicContact CB-CG 4.02Å; N132-M135 PolarHBondContact O-N 3.34Å; N132-M135 VanDerWaalsContact O-N 3.08Å; N132-K136 PolarHBondContact O-N 3.22Å
133	P	87	Confident	66.5	Low	74 Å²	74	81.7 Å²	81.7	48%	0.481	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-31.8	-175	-19.1	36.7	0	0	0	110.4	S131 M135 K136 E137 L163	S131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-M135 PolarHBondContact O-N 3.41Å; P133-K136 PolarHBondContact O-N 3.03Å; P133-E137 WeakPolarHBondContact O-CG 3.37Å; P133-E137 PolarHBondContact O-N 3.3Å; P133-L163 HydrophobicContact CB-CD1 3.84Å; P133-L163 HydrophobicContact CB-CD2 4.29Å
134	A	89.6	Confident	69.7	Low	0 Å²	0	77 Å²	77	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-40.7	177	0	0	0	0	0	112.5	N132 K136 E137 K138 A160 L163 D164 Y170	N132-A134 PolarHBondContact O-N 3.15Å; N132-A134 VanDerWaalsContact OD1-CB 3.26Å; N132-A134 WeakPolarHBondContact OD1-CB 3.35Å; N132-A134 PolarHBondContact OD1-N 3.38Å; A134-K136 VanDerWaalsContact C-N 3.35Å; A134-K136 PolarHBondContact O-N 3.29Å; A134-E137 PolarHBondContact O-N 3.34Å; A134-K138 WeakPolarHBondContact O-CB 3.19Å; A134-K138 PolarHBondContact O-N 3.14Å; A134-A160 WeakPolarHBondContact O-CB 3.49Å; A134-L163 HydrophobicContact CB-CB 3.67Å; A134-D164 HydrophobicContact CB-CB 3.53Å; A134-Y170 HydrophobicContact CB-CE2 4.02Å
135	M	86.2	Confident	72.8	Confident	69 Å²	69	75.6 Å²	75.6	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-37.8	178.3	-75.3	-66.1	-69.7	0	0	112.2	N132 P133 K138 D139 Y170	N132-M135 HydrophobicContact CB-CB 4.07Å; N132-M135 HydrophobicContact CB-CG 4.02Å; N132-M135 PolarHBondContact O-N 3.34Å; N132-M135 VanDerWaalsContact O-N 3.08Å; P133-M135 PolarHBondContact O-N 3.41Å; M135-K138 HydrophobicContact CE-CD 4.5Å; M135-K138 VanDerWaalsContact CE-NZ 3.34Å; M135-K138 PolarHBondContact O-N 3.05Å; M135-K138 HydrophobicContact SD-CD 4.18Å; M135-D139 PolarHBondContact O-N 3.17Å; M135-Y170 HydrophobicContact SD-CE1 4.19Å
136	K	87	Confident	75.7	Confident	127 Å²	127	79.7 Å²	79.7	55%	0.552	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-47.2	173.8	-177	-176.4	175.5	-171.3	0	111	N132 P133 A134 D139 L140	N132-K136 PolarHBondContact O-N 3.22Å; P133-K136 PolarHBondContact O-N 3.03Å; A134-K136 VanDerWaalsContact C-N 3.35Å; A134-K136 PolarHBondContact O-N 3.29Å; K136-D139 PolarHBondContact O-N 2.99Å; K136-L140 HydrophobicContact CG-CD1 4.46Å; K136-L140 WeakPolarHBondContact O-CG 3.37Å; K136-L140 PolarHBondContact O-N 3.45Å
137	E	95.8	Very high	78.6	Confident	42 Å²	42	77.2 Å²	77.2	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-61	-44.8	176.1	-68.6	-60.1	148.4	0	0	111.3	P133 A134 D139 L140 G141 H156 K159 A160 L163	P133-E137 WeakPolarHBondContact O-CG 3.37Å; P133-E137 PolarHBondContact O-N 3.3Å; A134-E137 PolarHBondContact O-N 3.34Å; E137-D139 VanDerWaalsContact C-N 3.31Å; E137-D139 PolarHBondContact O-N 3.3Å; E137-L140 PolarHBondContact O-N 3.12Å; E137-G141 PolarHBondContact O-N 2.89Å; E137-H156 WeakPolarHBondContact CB-O 3.48Å; E137-H156 WeakPolarHBondContact O-CB 3.46Å; E137-H156 IonicContact OE2-CE1 2.79Å; E137-H156 IonicContact OE2-CG 2.79Å; E137-H156 IonicContact OE2-ND1 3.41Å; E137-H156 PolarHBondContact OE2-ND1 3.1Å; E137-K159 HydrophobicContact CB-CB 4.25Å; E137-K159 HydrophobicContact CB-CG 4.47Å; E137-K159 HydrophobicContact CG-CB 3.93Å; E137-K159 HydrophobicContact CG-CG 3.64Å; E137-A160 HydrophobicContact CB-CB 3.95Å; E137-L163 HydrophobicContact CG-CD1 3.88Å
138	K	92.3	Very high	81.5	Confident	27 Å²	27	78.6 Å²	78.6	12%	0.117	39%	0.388	C	S	.	.	H	α-helix	trans	-56.5	-42.8	173.7	176.7	-138.5	58.7	156.1	0	112.2	A134 M135 G141 N142 Y157 A160 T169 Y170	A134-K138 WeakPolarHBondContact O-CB 3.19Å; A134-K138 PolarHBondContact O-N 3.14Å; M135-K138 HydrophobicContact CE-CD 4.5Å; M135-K138 VanDerWaalsContact CE-NZ 3.34Å; M135-K138 PolarHBondContact O-N 3.05Å; M135-K138 HydrophobicContact SD-CD 4.18Å; K138-G141 PolarHBondContact O-N 3.37Å; K138-N142 PolarHBondContact O-N 3.33Å; K138-N142 PolarHBondContact O-ND2 3.16Å; K138-Y157 HydrophobicContact CG-CE1 4.44Å; K138-A160 HydrophobicContact CB-CB 4.2Å; K138-T169 HydrophobicContact CD-CG2 4.22Å; K138-Y170 HydrophobicContact CB-CD1 3.73Å; K138-Y170 HydrophobicContact CB-CE1 3.66Å; K138-Y170 HydrophobicContact CD-CD1 4.07Å; K138-Y170 HydrophobicContact CD-CE1 3.88Å; K138-Y170 HydrophobicContact CG-CD1 3.68Å; K138-Y170 HydrophobicContact CG-CE1 3.84Å
139	D	89.3	Confident	84.7	Confident	81 Å²	81	76.1 Å²	76.1	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-69.2	-36.2	179.6	-72.1	-25.7	0	0	0	112.8	M135 K136 E137 G141 N142 Q143	M135-D139 PolarHBondContact O-N 3.17Å; K136-D139 PolarHBondContact O-N 2.99Å; E137-D139 VanDerWaalsContact C-N 3.31Å; E137-D139 PolarHBondContact O-N 3.3Å; D139-G141 VanDerWaalsContact C-N 3.35Å; D139-N142 WeakPolarHBondContact O-CB 3.44Å; D139-N142 PolarHBondContact O-N 3.3Å; D139-Q143 PolarHBondContact O-N 3.05Å
140	L	94.1	Very high	87.7	Confident	41 Å²	41	70 Å²	70	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-41.5	169.8	-68.6	170.3	0	0	0	111.4	K136 E137 N142 Q143 A144 H156	K136-L140 HydrophobicContact CG-CD1 4.46Å; K136-L140 WeakPolarHBondContact O-CG 3.37Å; K136-L140 PolarHBondContact O-N 3.45Å; E137-L140 PolarHBondContact O-N 3.12Å; L140-N142 PolarHBondContact O-N 3.15Å; L140-Q143 WeakPolarHBondContact O-CB 3.42Å; L140-Q143 PolarHBondContact O-N 3.05Å; L140-A144 PolarHBondContact O-N 3.4Å; L140-H156 HydrophobicContact CB-CB 4.32Å
141	G	95.5	Very high	90.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-42.9	173.4	0	0	0	0	0	112.4	E137 K138 D139 Q143 A144 Y145 H156 Y157	E137-G141 PolarHBondContact O-N 2.89Å; K138-G141 PolarHBondContact O-N 3.37Å; D139-G141 VanDerWaalsContact C-N 3.35Å; G141-Q143 VanDerWaalsContact C-N 3.31Å; G141-Q143 PolarHBondContact O-N 3.31Å; G141-A144 PolarHBondContact O-N 3.39Å; G141-Y145 WeakPolarHBondContact O-CB 3.39Å; G141-Y145 PolarHBondContact O-N 3.46Å; G141-H156 VanDerWaalsContact CA-CB 3.48Å; G141-Y157 PolarHBondContact O-OH 3.31Å
142	N	92.5	Very high	92.6	Very high	28 Å²	28	71.7 Å²	71.7	15%	0.15	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-38.6	175.5	-67.7	-28.6	0	0	0	111.8	K138 D139 L140 R146 Y157 N173	K138-N142 PolarHBondContact O-N 3.33Å; K138-N142 PolarHBondContact O-ND2 3.16Å; D139-N142 WeakPolarHBondContact O-CB 3.44Å; D139-N142 PolarHBondContact O-N 3.3Å; L140-N142 PolarHBondContact O-N 3.15Å; N142-R146 WeakPolarHBondContact O-CG 3.35Å; N142-R146 PolarHBondContact O-N 2.76Å; N142-R146 VanDerWaalsContact O-N 3.09Å; N142-Y157 VanDerWaalsContact CA-OH 3.28Å; N142-Y157 WeakPolarHBondContact CA-OH 3.42Å; N142-Y157 PolarHBondContact N-OH 3.26Å; N142-Y157 PolarHBondContact OD1-OH 3.27Å; N142-N173 PolarHBondContact OD1-ND2 2.86Å
143	Q	92.6	Very high	93.8	Very high	88 Å²	88	68.8 Å²	68.8	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-47.9	176.5	-174.9	177.8	17.9	0	0	111.4	D139 L140 G141 Y145 R146 Q147	D139-Q143 PolarHBondContact O-N 3.05Å; L140-Q143 WeakPolarHBondContact O-CB 3.42Å; L140-Q143 PolarHBondContact O-N 3.05Å; G141-Q143 VanDerWaalsContact C-N 3.31Å; G141-Q143 PolarHBondContact O-N 3.31Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Q143-Y145 PolarHBondContact O-N 2.96Å; Q143-R146 PolarHBondContact O-N 2.71Å; Q143-Q147 WeakPolarHBondContact O-CG 3.35Å; Q143-Q147 PolarHBondContact O-N 3.09Å; Q143-Q147 VanDerWaalsContact O-N 3.12Å
144	A	96.5	Very high	94.4	Very high	6 Å²	6	66.4 Å²	66.4	5%	0.05	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-42.1	176	0	0	0	0	0	111.8	L140 G141 R146 Q147 K148 D149 K152 A153	L140-A144 PolarHBondContact O-N 3.4Å; G141-A144 PolarHBondContact O-N 3.39Å; A144-R146 PolarHBondContact O-N 3.13Å; A144-Q147 CarbonylContact O-C 3.59Å; A144-Q147 WeakPolarHBondContact O-CA 3.23Å; A144-Q147 WeakPolarHBondContact O-CB 3.33Å; A144-Q147 PolarHBondContact O-N 3.02Å; A144-Q147 VanDerWaalsContact O-N 3.1Å; A144-K148 PolarHBondContact O-N 3.21Å; A144-K148 VanDerWaalsContact O-N 3.12Å; A144-D149 HydrophobicContact CB-CB 4.44Å; A144-D149 PolarHBondContact O-N 3.39Å; A144-K152 HydrophobicContact CB-CB 3.76Å; A144-A153 HydrophobicContact CB-CB 3.99Å
145	Y	96.1	Very high	94.8	Very high	65 Å²	65	69.2 Å²	69.2	26%	0.255	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-45.5	174.9	175.1	-99.6	0	0	0	112.5	G141 Q143 Q147 K148 F150 A176 V177 E180	G141-Y145 WeakPolarHBondContact O-CB 3.39Å; G141-Y145 PolarHBondContact O-N 3.46Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Q143-Y145 PolarHBondContact O-N 2.96Å; Y145-Q147 PolarHBondContact O-N 3.37Å; Y145-K148 WeakPolarHBondContact O-CA 3.47Å; Y145-K148 PolarHBondContact O-N 3.42Å; Y145-F150 HydrophobicContact CD2-CD1 4.38Å; Y145-F150 HydrophobicContact CD2-CE1 4.16Å; Y145-F150 HydrophobicContact CE2-CE1 4.33Å; Y145-A176 HydrophobicContact CE2-CB 4.42Å; Y145-V177 HydrophobicContact CD2-CG2 3.91Å; Y145-V177 HydrophobicContact CE2-CG2 4.48Å; Y145-E180 HydrophobicContact CE2-CB 4.44Å; Y145-E180 HydrophobicContact CE2-CG 3.72Å; Y145-E180 VanDerWaalsContact OH-CG 3.25Å; Y145-E180 WeakPolarHBondContact OH-CG 3.43Å
146	R	95.8	Very high	95.3	Very high	201 Å²	201	68.1 Å²	68.1	76%	0.758	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-31.2	176.3	-72.2	173.2	-172.8	141	-0.2	112.7	N142 Q143 A144 K148	N142-R146 WeakPolarHBondContact O-CG 3.35Å; N142-R146 PolarHBondContact O-N 2.76Å; N142-R146 VanDerWaalsContact O-N 3.09Å; Q143-R146 PolarHBondContact O-N 2.71Å; A144-R146 PolarHBondContact O-N 3.13Å; R146-K148 PolarHBondContact O-N 3.07Å
147	Q	96.1	Very high	95.9	Very high	126 Å²	126	62.2 Å²	62.2	59%	0.589	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.6	174.1	-66.8	173.2	-2.2	0	0	112.9	Q143 A144 Y145 D149	Q143-Q147 WeakPolarHBondContact O-CG 3.35Å; Q143-Q147 PolarHBondContact O-N 3.09Å; Q143-Q147 VanDerWaalsContact O-N 3.12Å; A144-Q147 CarbonylContact O-C 3.59Å; A144-Q147 WeakPolarHBondContact O-CA 3.23Å; A144-Q147 WeakPolarHBondContact O-CB 3.33Å; A144-Q147 PolarHBondContact O-N 3.02Å; A144-Q147 VanDerWaalsContact O-N 3.1Å; Y145-Q147 PolarHBondContact O-N 3.37Å; Q147-D149 PolarHBondContact O-N 2.91Å
148	K	95.6	Very high	96	Very high	155 Å²	155	63 Å²	63	67%	0.674	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	21.7	-171.2	-57	-171.8	175.5	-170.6	0	113.8	A144 Y145 R146 F150	A144-K148 PolarHBondContact O-N 3.21Å; A144-K148 VanDerWaalsContact O-N 3.12Å; Y145-K148 WeakPolarHBondContact O-CA 3.47Å; Y145-K148 PolarHBondContact O-N 3.42Å; R146-K148 PolarHBondContact O-N 3.07Å; K148-F150 VanDerWaalsContact C-N 3.26Å; K148-F150 HydrophobicContact CB-CE1 4.22Å; K148-F150 HydrophobicContact CB-CZ 4.09Å; K148-F150 HydrophobicContact CG-CE1 4.48Å; K148-F150 HydrophobicContact CG-CZ 4.29Å; K148-F150 PolarHBondContact O-N 3.18Å
149	D	97.4	Very high	96.3	Very high	45 Å²	45	65.9 Å²	65.9	24%	0.241	32%	0.317	C	S	.	.			trans	-83.4	76.7	169.9	-169.6	-22.3	0	0	0	108.4	A144 Q147 V151 K152 A153	A144-D149 HydrophobicContact CB-CB 4.44Å; A144-D149 PolarHBondContact O-N 3.39Å; Q147-D149 PolarHBondContact O-N 2.91Å; D149-V151 VanDerWaalsContact C-N 3.27Å; D149-V151 PolarHBondContact O-N 3.28Å; D149-K152 HydrophobicContact CB-CB 4.37Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 WeakPolarHBondContact OD1-CG 3.5Å; D149-K152 PolarHBondContact OD1-N 3.14Å; D149-K152 VanDerWaalsContact OD1-N 3.11Å; D149-K152 WeakPolarHBondContact OD2-CD 3.45Å; D149-K152 VanDerWaalsContact OD2-CE 3.29Å; D149-K152 WeakPolarHBondContact OD2-CE 3.37Å; D149-K152 WeakPolarHBondContact OD2-CG 3.21Å; D149-K152 IonicContact OD2-NZ 2.6Å; D149-K152 PolarHBondContact OD2-NZ 3.02Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.07Å
150	F	97.6	Very high	96.5	Very high	40 Å²	40	62 Å²	62	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-28.7	-173	-60	-39	0	0	0	113.2	Y145 K148 A153 H154 V177 E180 Q181	Y145-F150 HydrophobicContact CD2-CD1 4.38Å; Y145-F150 HydrophobicContact CD2-CE1 4.16Å; Y145-F150 HydrophobicContact CE2-CE1 4.33Å; K148-F150 VanDerWaalsContact C-N 3.26Å; K148-F150 HydrophobicContact CB-CE1 4.22Å; K148-F150 HydrophobicContact CB-CZ 4.09Å; K148-F150 HydrophobicContact CG-CE1 4.48Å; K148-F150 HydrophobicContact CG-CZ 4.29Å; K148-F150 PolarHBondContact O-N 3.18Å; F150-A153 PolarHBondContact O-N 3.44Å; F150-H154 PolarHBondContact O-CD2 2.92Å; F150-H154 PolarHBondContact O-N 3.3Å; F150-V177 HydrophobicContact CB-CG1 3.62Å; F150-V177 HydrophobicContact CD1-CG1 3.71Å; F150-V177 HydrophobicContact CG-CG1 3.87Å; F150-E180 HydrophobicContact CE1-CB 4.04Å; F150-E180 HydrophobicContact CE2-CB 4.39Å; F150-E180 HydrophobicContact CZ-CB 3.69Å; F150-Q181 HydrophobicContact CB-CG 4.12Å; F150-Q181 HydrophobicContact CD2-CG 3.48Å; F150-Q181 VanDerWaalsContact CD2-CG 3.48Å; F150-Q181 HydrophobicContact CE2-CG 4.04Å; F150-Q181 HydrophobicContact CG-CG 3.92Å
151	V	97.9	Very high	96.7	Very high	117 Å²	117	61.3 Å²	61.3	71%	0.709	29%	0.293	S	S	*	.	H	α-helix	trans	-64.9	-49.5	175.4	178.7	0	0	0	0	109.9	D149 A153 A155	D149-V151 VanDerWaalsContact C-N 3.27Å; D149-V151 PolarHBondContact O-N 3.28Å; V151-A153 VanDerWaalsContact C-N 3.34Å; V151-A153 PolarHBondContact O-N 3.05Å; V151-A155 PolarHBondContact O-N 3.36Å; V151-A155 VanDerWaalsContact O-N 3.14Å
152	K	97.6	Very high	96.8	Very high	113 Å²	113	67.7 Å²	67.7	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-36.3	175	-71.9	-168.2	-166.6	120.2	0	112.6	A144 D149 A155 H156	A144-K152 HydrophobicContact CB-CB 3.76Å; D149-K152 HydrophobicContact CB-CB 4.37Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 WeakPolarHBondContact OD1-CG 3.5Å; D149-K152 PolarHBondContact OD1-N 3.14Å; D149-K152 VanDerWaalsContact OD1-N 3.11Å; D149-K152 WeakPolarHBondContact OD2-CD 3.45Å; D149-K152 VanDerWaalsContact OD2-CE 3.29Å; D149-K152 WeakPolarHBondContact OD2-CE 3.37Å; D149-K152 WeakPolarHBondContact OD2-CG 3.21Å; D149-K152 IonicContact OD2-NZ 2.6Å; D149-K152 PolarHBondContact OD2-NZ 3.02Å; K152-A155 PolarHBondContact O-N 3.36Å; K152-H156 PolarHBondContact O-CD2 3.37Å; K152-H156 PolarHBondContact O-N 3.16Å
153	A	98.1	Very high	96.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-50	177.9	0	0	0	0	0	111.2	A144 D149 F150 V151 H156 Y157 V177	A144-A153 HydrophobicContact CB-CB 3.99Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.07Å; F150-A153 PolarHBondContact O-N 3.44Å; V151-A153 VanDerWaalsContact C-N 3.34Å; V151-A153 PolarHBondContact O-N 3.05Å; A153-H156 PolarHBondContact O-N 2.91Å; A153-Y157 HydrophobicContact CB-CD2 4.49Å; A153-Y157 HydrophobicContact CB-CE2 4.04Å; A153-Y157 WeakPolarHBondContact O-CD2 3.41Å; A153-Y157 VanDerWaalsContact O-CG 3.32Å; A153-Y157 PolarHBondContact O-N 2.9Å; A153-V177 HydrophobicContact CB-CG1 4.48Å; A153-V177 HydrophobicContact CB-CG2 4.02Å
154	H	98.2	Very high	96.8	Very high	23 Å²	23	67.7 Å²	67.7	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-48.6	175.1	-79.3	-54.3	0	0	0	112	F150 H156 Y157 D158 K174 V177 Y178 Q181	F150-H154 PolarHBondContact O-CD2 2.92Å; F150-H154 PolarHBondContact O-N 3.3Å; H154-H156 VanDerWaalsContact C-N 3.31Å; H154-H156 PolarHBondContact O-N 3.1Å; H154-Y157 PolarHBondContact O-N 3.26Å; H154-Y157 VanDerWaalsContact O-N 3.17Å; H154-D158 WeakPolarHBondContact O-CB 3.37Å; H154-D158 PolarHBondContact O-N 3.42Å; H154-K174 WeakPolarHBondContact ND1-CG 3.37Å; H154-V177 VanDerWaalsContact NE2-CG1 3.27Å; H154-V177 WeakPolarHBondContact NE2-CG1 3.48Å; H154-Y178 AromaticContact CE1-CD1 3.63Å; H154-Y178 AromaticContact CE1-CD2 3.79Å; H154-Y178 AromaticContact CE1-CE1 3.42Å; H154-Y178 VanDerWaalsContact CE1-CE1 3.42Å; H154-Y178 WeakPolarHBondContact CE1-CE1 3.43Å; H154-Y178 AromaticContact CE1-CE2 3.6Å; H154-Y178 AromaticContact CE1-CG 3.8Å; H154-Y178 AromaticContact CE1-CZ 3.41Å; H154-Y178 VanDerWaalsContact CE1-CZ 3.41Å; H154-Y178 AromaticContact NE2-CD1 3.65Å; H154-Y178 AromaticContact NE2-CE1 3.47Å; H154-Y178 WeakPolarHBondContact NE2-CE1 3.42Å; H154-Y178 AromaticContact NE2-CZ 3.92Å; H154-Q181 PolarHBondContact NE2-OE1 3.12Å
155	A	98.3	Very high	96.6	Very high	59 Å²	59	70.7 Å²	70.7	49%	0.488	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-43.6	-179.4	0	0	0	0	0	112.7	V151 K152 K159	V151-A155 PolarHBondContact O-N 3.36Å; V151-A155 VanDerWaalsContact O-N 3.14Å; K152-A155 PolarHBondContact O-N 3.36Å; A155-K159 WeakPolarHBondContact O-CB 3.2Å; A155-K159 PolarHBondContact O-N 3.07Å
156	H	98.1	Very high	96.4	Very high	47 Å²	47	73.9 Å²	73.9	22%	0.218	36%	0.361	C	S	.	.	H	α-helix	trans	-71	-38.3	177.5	-78.7	-54.7	0	0	0	113	E137 L140 G141 K152 A153 H154 K159 A160	E137-H156 WeakPolarHBondContact CB-O 3.48Å; E137-H156 WeakPolarHBondContact O-CB 3.46Å; E137-H156 IonicContact OE2-CE1 2.79Å; E137-H156 IonicContact OE2-CG 2.79Å; E137-H156 IonicContact OE2-ND1 3.41Å; E137-H156 PolarHBondContact OE2-ND1 3.1Å; L140-H156 HydrophobicContact CB-CB 4.32Å; G141-H156 VanDerWaalsContact CA-CB 3.48Å; K152-H156 PolarHBondContact O-CD2 3.37Å; K152-H156 PolarHBondContact O-N 3.16Å; A153-H156 PolarHBondContact O-N 2.91Å; H154-H156 VanDerWaalsContact C-N 3.31Å; H154-H156 PolarHBondContact O-N 3.1Å; H156-K159 PolarHBondContact O-N 3.27Å; H156-A160 PolarHBondContact O-N 3.07Å
157	Y	98	Very high	96.1	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-68.5	-36.5	174.4	-63.3	-44.1	0	0	0	112.4	K138 G141 N142 A153 H154 K159 A160 I161 N173 K174 V177	K138-Y157 HydrophobicContact CG-CE1 4.44Å; G141-Y157 PolarHBondContact O-OH 3.31Å; N142-Y157 VanDerWaalsContact CA-OH 3.28Å; N142-Y157 WeakPolarHBondContact CA-OH 3.42Å; N142-Y157 PolarHBondContact N-OH 3.26Å; N142-Y157 PolarHBondContact OD1-OH 3.27Å; A153-Y157 HydrophobicContact CB-CD2 4.49Å; A153-Y157 HydrophobicContact CB-CE2 4.04Å; A153-Y157 WeakPolarHBondContact O-CD2 3.41Å; A153-Y157 VanDerWaalsContact O-CG 3.32Å; A153-Y157 PolarHBondContact O-N 2.9Å; H154-Y157 PolarHBondContact O-N 3.26Å; H154-Y157 VanDerWaalsContact O-N 3.17Å; Y157-K159 VanDerWaalsContact C-N 3.34Å; Y157-A160 WeakPolarHBondContact O-CB 3.35Å; Y157-A160 PolarHBondContact O-N 3.22Å; Y157-I161 VanDerWaalsContact O-CG1 3.28Å; Y157-I161 WeakPolarHBondContact O-CG1 3.41Å; Y157-I161 PolarHBondContact O-N 3.35Å; Y157-N173 HydrophobicContact CD1-CB 4.08Å; Y157-N173 HydrophobicContact CD2-CB 4.46Å; Y157-N173 HydrophobicContact CE1-CB 3.61Å; Y157-N173 HydrophobicContact CE2-CB 4.03Å; Y157-N173 HydrophobicContact CG-CB 4.49Å; Y157-K174 HydrophobicContact CD2-CB 4.26Å; Y157-V177 HydrophobicContact CD2-CG2 3.93Å; Y157-V177 HydrophobicContact CE2-CG2 3.52Å
158	D	98.5	Very high	96.1	Very high	58 Å²	58	60.5 Å²	60.5	31%	0.31	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.7	-74.5	-23.3	0	0	0	110.9	H154 A160 I161 E162 K174	H154-D158 WeakPolarHBondContact O-CB 3.37Å; H154-D158 PolarHBondContact O-N 3.42Å; D158-A160 VanDerWaalsContact C-N 3.32Å; D158-A160 PolarHBondContact O-N 2.95Å; D158-I161 PolarHBondContact O-N 3.37Å; D158-E162 WeakPolarHBondContact O-CG 3.34Å; D158-E162 PolarHBondContact O-N 3.29Å; D158-K174 VanDerWaalsContact OD1-CE 3.25Å; D158-K174 WeakPolarHBondContact OD1-CE 3.35Å; D158-K174 IonicContact OD1-NZ 3.66Å; D158-K174 PolarHBondContact OD1-NZ 3.26Å; D158-K174 IonicContact OD2-NZ 3.66Å; D158-K174 PolarHBondContact OD2-NZ 3Å
159	K	97.7	Very high	96	Very high	88 Å²	88	54.9 Å²	54.9	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-39.9	173.3	-163.6	72.5	-152	159.1	0	112.3	E137 A155 H156 Y157 E162 L163	E137-K159 HydrophobicContact CB-CB 4.25Å; E137-K159 HydrophobicContact CB-CG 4.47Å; E137-K159 HydrophobicContact CG-CB 3.93Å; E137-K159 HydrophobicContact CG-CG 3.64Å; A155-K159 WeakPolarHBondContact O-CB 3.2Å; A155-K159 PolarHBondContact O-N 3.07Å; H156-K159 PolarHBondContact O-N 3.27Å; Y157-K159 VanDerWaalsContact C-N 3.34Å; K159-E162 IonicContact NZ-OE2 2.74Å; K159-E162 PolarHBondContact NZ-OE2 3.38Å; K159-E162 PolarHBondContact O-N 2.92Å; K159-L163 HydrophobicContact CG-CD1 4.05Å; K159-L163 WeakPolarHBondContact O-CB 3.31Å; K159-L163 VanDerWaalsContact O-CD1 3.29Å; K159-L163 WeakPolarHBondContact O-CD1 3.21Å; K159-L163 WeakPolarHBondContact O-CG 3.5Å; K159-L163 PolarHBondContact O-N 2.87Å; K159-L163 VanDerWaalsContact O-N 3.16Å
160	A	95.3	Very high	95.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-42.6	174.9	0	0	0	0	0	112.1	A134 E137 K138 H156 Y157 D158 L163 D164 Y170	A134-A160 WeakPolarHBondContact O-CB 3.49Å; E137-A160 HydrophobicContact CB-CB 3.95Å; K138-A160 HydrophobicContact CB-CB 4.2Å; H156-A160 PolarHBondContact O-N 3.07Å; Y157-A160 WeakPolarHBondContact O-CB 3.35Å; Y157-A160 PolarHBondContact O-N 3.22Å; D158-A160 VanDerWaalsContact C-N 3.32Å; D158-A160 PolarHBondContact O-N 2.95Å; A160-L163 PolarHBondContact O-N 3.16Å; A160-D164 PolarHBondContact O-N 3.4Å; A160-Y170 HydrophobicContact CB-CD1 4.07Å; A160-Y170 HydrophobicContact CB-CD2 3.97Å; A160-Y170 HydrophobicContact CB-CE1 4.33Å; A160-Y170 HydrophobicContact CB-CE2 4.22Å; A160-Y170 HydrophobicContact CB-CG 3.9Å
161	I	97.4	Very high	96	Very high	27 Å²	27	52 Å²	52	14%	0.138	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-41.6	176.7	-69.5	163.4	0	0	0	111.4	Y157 D158 L163 D164 P165 Y170 Y171 K174	Y157-I161 VanDerWaalsContact O-CG1 3.28Å; Y157-I161 WeakPolarHBondContact O-CG1 3.41Å; Y157-I161 PolarHBondContact O-N 3.35Å; D158-I161 PolarHBondContact O-N 3.37Å; I161-L163 VanDerWaalsContact C-N 3.25Å; I161-L163 PolarHBondContact O-N 3.47Å; I161-D164 CarbonylContact O-C 3.6Å; I161-D164 PolarHBondContact O-N 3.07Å; I161-P165 VanDerWaalsContact O-CA 3.23Å; I161-P165 WeakPolarHBondContact O-CA 3.43Å; I161-P165 WeakPolarHBondContact O-CB 3.44Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å; I161-P165 VanDerWaalsContact O-N 3.1Å; I161-Y170 HydrophobicContact CG1-CD2 4.32Å; I161-Y170 HydrophobicContact CG1-CG 4.48Å; I161-Y171 HydrophobicContact CD1-CD1 3.96Å; I161-Y171 HydrophobicContact CD1-CE1 3.95Å; I161-Y171 HydrophobicContact CD1-CG 4.34Å; I161-Y171 HydrophobicContact CG1-CD2 4.5Å; I161-Y171 HydrophobicContact CG1-CE1 4.24Å; I161-Y171 HydrophobicContact CG1-CE2 4.2Å; I161-Y171 HydrophobicContact CG2-CE1 4.06Å; I161-Y171 WeakPolarHBondContact CG2-OH 3.08Å; I161-K174 HydrophobicContact CD1-CD 4.32Å
162	E	97.1	Very high	95.9	Very high	134 Å²	134	46.6 Å²	46.6	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-60.6	-35.9	175.5	-74.5	175.7	-174.6	0	0	112.5	D158 K159	D158-E162 WeakPolarHBondContact O-CG 3.34Å; D158-E162 PolarHBondContact O-N 3.29Å; K159-E162 IonicContact NZ-OE2 2.74Å; K159-E162 PolarHBondContact NZ-OE2 3.38Å; K159-E162 PolarHBondContact O-N 2.92Å
163	L	94	Very high	95.9	Very high	79 Å²	79	42.9 Å²	42.9	41%	0.414	23%	0.225	S	C	.	.	H	α-helix	trans	-82.7	-29.9	-176.9	-69.9	163.7	0	0	0	112.9	P133 A134 E137 K159 A160 I161	P133-L163 HydrophobicContact CB-CD1 3.84Å; P133-L163 HydrophobicContact CB-CD2 4.29Å; A134-L163 HydrophobicContact CB-CB 3.67Å; E137-L163 HydrophobicContact CG-CD1 3.88Å; K159-L163 HydrophobicContact CG-CD1 4.05Å; K159-L163 WeakPolarHBondContact O-CB 3.31Å; K159-L163 VanDerWaalsContact O-CD1 3.29Å; K159-L163 WeakPolarHBondContact O-CD1 3.21Å; K159-L163 WeakPolarHBondContact O-CG 3.5Å; K159-L163 PolarHBondContact O-N 2.87Å; K159-L163 VanDerWaalsContact O-N 3.16Å; A160-L163 PolarHBondContact O-N 3.16Å; I161-L163 VanDerWaalsContact C-N 3.25Å; I161-L163 PolarHBondContact O-N 3.47Å
164	D	91	Very high	96	Very high	37 Å²	37	44.3 Å²	44.3	20%	0.198	23%	0.231	C	C	.	.			trans	-153.5	83.5	-177.8	168.7	24	0	0	0	109.6	A134 A160 I161 E166 N167 Y170	A134-D164 HydrophobicContact CB-CB 3.53Å; A160-D164 PolarHBondContact O-N 3.4Å; I161-D164 CarbonylContact O-C 3.6Å; I161-D164 PolarHBondContact O-N 3.07Å; D164-E166 PolarHBondContact O-N 3.4Å; D164-N167 WeakPolarHBondContact OD2-CB 3.5Å; D164-Y170 HydrophobicContact CB-CE2 3.83Å; D164-Y170 WeakPolarHBondContact O-CD2 3.49Å; D164-Y170 WeakPolarHBondContact O-CE2 3.46Å; D164-Y170 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y170 PolarHBondContact OD2-OH 3.12Å
165	P	93.8	Very high	96	Very high	68 Å²	68	43.2 Å²	43.2	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.1	-173.7	28.1	-35.1	0	0	0	113.8	I161 Y171	I161-P165 VanDerWaalsContact O-CA 3.23Å; I161-P165 WeakPolarHBondContact O-CA 3.43Å; I161-P165 WeakPolarHBondContact O-CB 3.44Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å; I161-P165 VanDerWaalsContact O-N 3.1Å; P165-Y171 VanDerWaalsContact O-CE2 3.27Å; P165-Y171 WeakPolarHBondContact O-CE2 3.33Å; P165-Y171 PolarHBondContact O-OH 2.88Å
166	E	91.6	Very high	96	Very high	133 Å²	133	41 Å²	41	62%	0.621	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.4	-173.4	-67.9	-173.7	177.4	0	0	113.1	D164 I168 V197 C201	D164-E166 PolarHBondContact O-N 3.4Å; E166-I168 PolarHBondContact O-N 3.05Å; E166-V197 WeakPolarHBondContact O-CG1 3.2Å; E166-C201 VanDerWaalsContact CB-SG 3.5Å; E166-C201 PolarHBondContact O-SG 3.32Å; E166-C201 VanDerWaalsContact O-SG 3.37Å
167	N	89.4	Confident	96	Very high	42 Å²	42	38.8 Å²	38.8	23%	0.225	20%	0.198	C	C	.	.			trans	-94	103.5	-178	-168.2	-23.5	0	0	0	112.2	D164 T169 Y170	D164-N167 WeakPolarHBondContact OD2-CB 3.5Å; N167-T169 PolarHBondContact O-N 2.69Å; N167-T169 WeakPolarHBondContact OD1-CB 3.47Å; N167-T169 PolarHBondContact OD1-N 3.49Å; N167-T169 PolarHBondContact OD1-OG1 3.22Å; N167-Y170 HydrophobicContact CB-CD2 3.9Å; N167-Y170 HydrophobicContact CB-CE1 4.33Å; N167-Y170 HydrophobicContact CB-CE2 3.47Å; N167-Y170 VanDerWaalsContact CB-CE2 3.47Å; N167-Y170 HydrophobicContact CB-CG 4.48Å; N167-Y170 PolarHBondContact ND2-OH 3.26Å; N167-Y170 PolarHBondContact O-N 3.38Å
168	I	95.1	Very high	96	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-48.7	-28.6	175.3	-176.4	173.7	0	0	0	113.9	E166 Y170 Y171 N172 A194 A203 L207 I208	E166-I168 PolarHBondContact O-N 3.05Å; I168-Y170 VanDerWaalsContact C-N 3.25Å; I168-Y170 PolarHBondContact O-N 3.12Å; I168-Y171 PolarHBondContact O-N 3.33Å; I168-N172 WeakPolarHBondContact O-CB 3.3Å; I168-N172 PolarHBondContact O-N 3.2Å; I168-A194 HydrophobicContact CD1-CB 4.38Å; I168-A194 WeakPolarHBondContact CD1-O 3.48Å; I168-A194 HydrophobicContact CG1-CB 3.92Å; I168-A194 WeakPolarHBondContact CG1-O 3.48Å; I168-A203 HydrophobicContact CB-CB 4.42Å; I168-A203 HydrophobicContact CG2-CB 3.62Å; I168-L207 HydrophobicContact CD1-CB 4.05Å; I168-L207 HydrophobicContact CG2-CB 3.8Å; I168-L207 HydrophobicContact CG2-CD1 3.56Å; I168-L207 HydrophobicContact CG2-CG 4.3Å; I168-I208 HydrophobicContact CD1-CG1 3.96Å
169	T	94	Very high	96	Very high	38 Å²	38	39.3 Å²	39.3	23%	0.233	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-37.7	-176.5	-53	0	0	0	0	112	K138 N167 N172 N173	K138-T169 HydrophobicContact CD-CG2 4.22Å; N167-T169 PolarHBondContact O-N 2.69Å; N167-T169 WeakPolarHBondContact OD1-CB 3.47Å; N167-T169 PolarHBondContact OD1-N 3.49Å; N167-T169 PolarHBondContact OD1-OG1 3.22Å; T169-N172 PolarHBondContact O-N 2.93Å; T169-N173 WeakPolarHBondContact O-CB 3.33Å; T169-N173 VanDerWaalsContact O-CG 3.24Å; T169-N173 PolarHBondContact O-N 2.83Å; T169-N173 PolarHBondContact O-OD1 3.45Å
170	Y	96.1	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-45.4	-177.2	-47.7	-31.7	0	0	0	111.2	A134 M135 K138 A160 I161 D164 N167 I168 N172 N173 K174	A134-Y170 HydrophobicContact CB-CE2 4.02Å; M135-Y170 HydrophobicContact SD-CE1 4.19Å; K138-Y170 HydrophobicContact CB-CD1 3.73Å; K138-Y170 HydrophobicContact CB-CE1 3.66Å; K138-Y170 HydrophobicContact CD-CD1 4.07Å; K138-Y170 HydrophobicContact CD-CE1 3.88Å; K138-Y170 HydrophobicContact CG-CD1 3.68Å; K138-Y170 HydrophobicContact CG-CE1 3.84Å; A160-Y170 HydrophobicContact CB-CD1 4.07Å; A160-Y170 HydrophobicContact CB-CD2 3.97Å; A160-Y170 HydrophobicContact CB-CE1 4.33Å; A160-Y170 HydrophobicContact CB-CE2 4.22Å; A160-Y170 HydrophobicContact CB-CG 3.9Å; I161-Y170 HydrophobicContact CG1-CD2 4.32Å; I161-Y170 HydrophobicContact CG1-CG 4.48Å; D164-Y170 HydrophobicContact CB-CE2 3.83Å; D164-Y170 WeakPolarHBondContact O-CD2 3.49Å; D164-Y170 WeakPolarHBondContact O-CE2 3.46Å; D164-Y170 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y170 PolarHBondContact OD2-OH 3.12Å; N167-Y170 HydrophobicContact CB-CD2 3.9Å; N167-Y170 HydrophobicContact CB-CE1 4.33Å; N167-Y170 HydrophobicContact CB-CE2 3.47Å; N167-Y170 VanDerWaalsContact CB-CE2 3.47Å; N167-Y170 HydrophobicContact CB-CG 4.48Å; N167-Y170 PolarHBondContact ND2-OH 3.26Å; N167-Y170 PolarHBondContact O-N 3.38Å; I168-Y170 VanDerWaalsContact C-N 3.25Å; I168-Y170 PolarHBondContact O-N 3.12Å; Y170-N172 PolarHBondContact O-N 3.49Å; Y170-N173 PolarHBondContact O-N 3.36Å; Y170-K174 WeakPolarHBondContact O-CB 3.49Å; Y170-K174 PolarHBondContact O-N 3.49Å
171	Y	98.3	Very high	96.1	Very high	23 Å²	23	43.1 Å²	43.1	9%	0.09	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-42.4	174.6	-57.3	-91.8	0	0	0	111.7	I161 P165 I168 N173 K174 A175 T190 K193 V197	I161-Y171 HydrophobicContact CD1-CD1 3.96Å; I161-Y171 HydrophobicContact CD1-CE1 3.95Å; I161-Y171 HydrophobicContact CD1-CG 4.34Å; I161-Y171 HydrophobicContact CG1-CD2 4.5Å; I161-Y171 HydrophobicContact CG1-CE1 4.24Å; I161-Y171 HydrophobicContact CG1-CE2 4.2Å; I161-Y171 HydrophobicContact CG2-CE1 4.06Å; I161-Y171 WeakPolarHBondContact CG2-OH 3.08Å; P165-Y171 VanDerWaalsContact O-CE2 3.27Å; P165-Y171 WeakPolarHBondContact O-CE2 3.33Å; P165-Y171 PolarHBondContact O-OH 2.88Å; I168-Y171 PolarHBondContact O-N 3.33Å; Y171-N173 VanDerWaalsContact C-N 3.31Å; Y171-N173 PolarHBondContact O-N 3.49Å; Y171-K174 PolarHBondContact O-N 3.03Å; Y171-A175 WeakPolarHBondContact O-CB 3.48Å; Y171-A175 PolarHBondContact O-N 3.35Å; Y171-T190 WeakPolarHBondContact O-CG2 3.44Å; Y171-K193 HydrophobicContact CD1-CB 4.32Å; Y171-K193 HydrophobicContact CD1-CG 3.81Å; Y171-K193 HydrophobicContact CE1-CG 3.68Å; Y171-V197 HydrophobicContact CD2-CG1 4.45Å; Y171-V197 HydrophobicContact CD2-CG2 4.39Å; Y171-V197 HydrophobicContact CE1-CG2 4.48Å; Y171-V197 HydrophobicContact CE2-CB 4.3Å; Y171-V197 HydrophobicContact CE2-CG1 4.04Å; Y171-V197 HydrophobicContact CE2-CG2 3.85Å
172	N	97.5	Very high	96.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-41.6	175.1	-104.9	-44.5	0	0	0	112.3	I168 T169 Y170 A176 L207 A211 R214	I168-N172 WeakPolarHBondContact O-CB 3.3Å; I168-N172 PolarHBondContact O-N 3.2Å; T169-N172 PolarHBondContact O-N 2.93Å; Y170-N172 PolarHBondContact O-N 3.49Å; N172-A176 PolarHBondContact O-N 3.2Å; N172-L207 PolarHBondContact ND2-O 3.04Å; N172-A211 WeakPolarHBondContact OD1-CA 3.34Å; N172-A211 PolarHBondContact OD1-N 2.82Å; N172-R214 PolarHBondContact O-NH1 2.73Å; N172-R214 PolarHBondContact O-NH2 2.75Å; N172-R214 PolarHBondContact OD1-NH1 2.65Å
173	N	97.4	Very high	96.2	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-71	-42.6	178.2	-71	0.7	0	0	0	111.4	N142 Y157 T169 Y170 Y171 A175 A176 V177	N142-N173 PolarHBondContact OD1-ND2 2.86Å; Y157-N173 HydrophobicContact CD1-CB 4.08Å; Y157-N173 HydrophobicContact CD2-CB 4.46Å; Y157-N173 HydrophobicContact CE1-CB 3.61Å; Y157-N173 HydrophobicContact CE2-CB 4.03Å; Y157-N173 HydrophobicContact CG-CB 4.49Å; T169-N173 WeakPolarHBondContact O-CB 3.33Å; T169-N173 VanDerWaalsContact O-CG 3.24Å; T169-N173 PolarHBondContact O-N 2.83Å; T169-N173 PolarHBondContact O-OD1 3.45Å; Y170-N173 PolarHBondContact O-N 3.36Å; Y171-N173 VanDerWaalsContact C-N 3.31Å; Y171-N173 PolarHBondContact O-N 3.49Å; N173-A175 VanDerWaalsContact C-N 3.34Å; N173-A175 PolarHBondContact O-N 2.97Å; N173-A176 VanDerWaalsContact O-CB 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.47Å; N173-A176 PolarHBondContact O-N 3.32Å; N173-A176 VanDerWaalsContact O-N 3.1Å; N173-V177 PolarHBondContact O-N 3.29Å
174	K	98.4	Very high	96.4	Very high	31 Å²	31	44 Å²	44	14%	0.135	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-43.2	174.7	-167.9	-178.7	-177.5	179.5	0	111.9	H154 Y157 D158 I161 Y170 Y171 A176 V177 Y178 T190	H154-K174 WeakPolarHBondContact ND1-CG 3.37Å; Y157-K174 HydrophobicContact CD2-CB 4.26Å; D158-K174 VanDerWaalsContact OD1-CE 3.25Å; D158-K174 WeakPolarHBondContact OD1-CE 3.35Å; D158-K174 IonicContact OD1-NZ 3.66Å; D158-K174 PolarHBondContact OD1-NZ 3.26Å; D158-K174 IonicContact OD2-NZ 3.66Å; D158-K174 PolarHBondContact OD2-NZ 3Å; I161-K174 HydrophobicContact CD1-CD 4.32Å; Y170-K174 WeakPolarHBondContact O-CB 3.49Å; Y170-K174 PolarHBondContact O-N 3.49Å; Y171-K174 PolarHBondContact O-N 3.03Å; K174-A176 VanDerWaalsContact C-N 3.27Å; K174-A176 PolarHBondContact O-N 3.33Å; K174-V177 VanDerWaalsContact O-CB 3.31Å; K174-V177 WeakPolarHBondContact O-CB 3.45Å; K174-V177 PolarHBondContact O-N 3.42Å; K174-Y178 HydrophobicContact CD-CE2 4.28Å; K174-Y178 HydrophobicContact CG-CD2 4.46Å; K174-Y178 HydrophobicContact CG-CE2 4.05Å; K174-Y178 PolarHBondContact O-N 3.29Å; K174-T190 HydrophobicContact CB-CG2 4.08Å; K174-T190 HydrophobicContact CD-CG2 4.29Å; K174-T190 HydrophobicContact CG-CG2 4.27Å
175	A	98.5	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-34.1	175.1	0	0	0	0	0	112.5	Y171 N173 V177 Y178 F179 C187 T190 C191	Y171-A175 WeakPolarHBondContact O-CB 3.48Å; Y171-A175 PolarHBondContact O-N 3.35Å; N173-A175 VanDerWaalsContact C-N 3.34Å; N173-A175 PolarHBondContact O-N 2.97Å; A175-V177 VanDerWaalsContact C-N 3.3Å; A175-V177 PolarHBondContact O-N 3.14Å; A175-Y178 PolarHBondContact O-N 2.87Å; A175-F179 PolarHBondContact O-N 3.3Å; A175-C187 PolarHBondContact O-SG 3.14Å; A175-T190 HydrophobicContact CB-CG2 3.92Å; A175-C191 WeakPolarHBondContact CB-SG 3.25Å
176	A	98.3	Very high	96.9	Very high	13 Å²	13	46.6 Å²	46.6	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-35.6	173.6	0	0	0	0	0	112.2	Y145 N172 N173 K174 F179 E180	Y145-A176 HydrophobicContact CE2-CB 4.42Å; N172-A176 PolarHBondContact O-N 3.2Å; N173-A176 VanDerWaalsContact O-CB 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.47Å; N173-A176 PolarHBondContact O-N 3.32Å; N173-A176 VanDerWaalsContact O-N 3.1Å; K174-A176 VanDerWaalsContact C-N 3.27Å; K174-A176 PolarHBondContact O-N 3.33Å; A176-F179 PolarHBondContact O-N 3.21Å; A176-E180 WeakPolarHBondContact O-CG 3.39Å; A176-E180 PolarHBondContact O-N 3.03Å
177	V	98.4	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-50.1	173.6	-170.2	0	0	0	0	110.8	Y145 F150 A153 H154 Y157 N173 K174 A175 F179 E180 Q181	Y145-V177 HydrophobicContact CD2-CG2 3.91Å; Y145-V177 HydrophobicContact CE2-CG2 4.48Å; F150-V177 HydrophobicContact CB-CG1 3.62Å; F150-V177 HydrophobicContact CD1-CG1 3.71Å; F150-V177 HydrophobicContact CG-CG1 3.87Å; A153-V177 HydrophobicContact CB-CG1 4.48Å; A153-V177 HydrophobicContact CB-CG2 4.02Å; H154-V177 VanDerWaalsContact NE2-CG1 3.27Å; H154-V177 WeakPolarHBondContact NE2-CG1 3.48Å; Y157-V177 HydrophobicContact CD2-CG2 3.93Å; Y157-V177 HydrophobicContact CE2-CG2 3.52Å; N173-V177 PolarHBondContact O-N 3.29Å; K174-V177 VanDerWaalsContact O-CB 3.31Å; K174-V177 WeakPolarHBondContact O-CB 3.45Å; K174-V177 PolarHBondContact O-N 3.42Å; A175-V177 VanDerWaalsContact C-N 3.3Å; A175-V177 PolarHBondContact O-N 3.14Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.99Å; V177-E180 PolarHBondContact O-N 2.79Å; V177-Q181 WeakPolarHBondContact O-CG 3.48Å; V177-Q181 PolarHBondContact O-N 3.42Å
178	Y	98.6	Very high	97.7	Very high	32 Å²	32	38.7 Å²	38.7	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-39.1	178.2	-72.7	-55.4	0	0	0	112.4	H154 K174 A175 Q181 K182 D183 M186 T190	H154-Y178 AromaticContact CE1-CD1 3.63Å; H154-Y178 AromaticContact CE1-CD2 3.79Å; H154-Y178 AromaticContact CE1-CE1 3.42Å; H154-Y178 VanDerWaalsContact CE1-CE1 3.42Å; H154-Y178 WeakPolarHBondContact CE1-CE1 3.43Å; H154-Y178 AromaticContact CE1-CE2 3.6Å; H154-Y178 AromaticContact CE1-CG 3.8Å; H154-Y178 AromaticContact CE1-CZ 3.41Å; H154-Y178 VanDerWaalsContact CE1-CZ 3.41Å; H154-Y178 AromaticContact NE2-CD1 3.65Å; H154-Y178 AromaticContact NE2-CE1 3.47Å; H154-Y178 WeakPolarHBondContact NE2-CE1 3.42Å; H154-Y178 AromaticContact NE2-CZ 3.92Å; K174-Y178 HydrophobicContact CD-CE2 4.28Å; K174-Y178 HydrophobicContact CG-CD2 4.46Å; K174-Y178 HydrophobicContact CG-CE2 4.05Å; K174-Y178 PolarHBondContact O-N 3.29Å; A175-Y178 PolarHBondContact O-N 2.87Å; Y178-Q181 CarbonylContact O-C 3.45Å; Y178-Q181 PolarHBondContact O-N 2.86Å; Y178-K182 PolarHBondContact O-N 3.43Å; Y178-K182 VanDerWaalsContact O-N 3.16Å; Y178-D183 HydrophobicContact CD1-CB 4.23Å; Y178-D183 PolarHBondContact O-N 3.48Å; Y178-M186 HydrophobicContact CD1-CB 3.64Å; Y178-M186 HydrophobicContact CD1-CG 4.49Å; Y178-M186 HydrophobicContact CD2-CB 3.91Å; Y178-M186 HydrophobicContact CE1-CB 3.81Å; Y178-M186 HydrophobicContact CE1-CG 4.3Å; Y178-M186 HydrophobicContact CE2-CB 4.04Å; Y178-M186 HydrophobicContact CE2-CE 4.24Å; Y178-M186 HydrophobicContact CG-CB 3.7Å; Y178-T190 WeakPolarHBondContact CD2-OG1 3.42Å; Y178-T190 VanDerWaalsContact CE2-OG1 3.32Å; Y178-T190 WeakPolarHBondContact CE2-OG1 3.48Å
179	F	98.4	Very high	97.9	Very high	38 Å²	38	44.5 Å²	44.5	17%	0.167	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-46.5	174.5	-173.5	-92.3	0	0	0	112.4	A175 A176 V177 Q181 K182 Y184 C187 R214 L217 A218 K221	A175-F179 PolarHBondContact O-N 3.3Å; A176-F179 PolarHBondContact O-N 3.21Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.99Å; F179-Q181 VanDerWaalsContact C-N 3.3Å; F179-Q181 PolarHBondContact O-N 3.32Å; F179-K182 PolarHBondContact O-N 3.38Å; F179-Y184 HydrophobicContact CD2-CD1 4.13Å; F179-Y184 HydrophobicContact CD2-CE1 4.05Å; F179-Y184 HydrophobicContact CE2-CD1 4.32Å; F179-Y184 AromaticContact CE2-CE1 3.99Å; F179-Y184 HydrophobicContact CE2-CE1 3.99Å; F179-C187 HydrophobicContact CB-CB 4.45Å; F179-R214 HydrophobicContact CD2-CG 4.4Å; F179-L217 HydrophobicContact CE2-CB 3.72Å; F179-L217 HydrophobicContact CZ-CB 3.97Å; F179-A218 HydrophobicContact CD2-CB 4.32Å; F179-A218 HydrophobicContact CE2-CB 4.42Å; F179-K221 HydrophobicContact CE2-CG 4.19Å; F179-K221 HydrophobicContact CZ-CG 4.07Å
180	E	97.7	Very high	98.1	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-65.8	-32.3	176.8	-70.7	-64.7	149.8	0	0	112.6	Y145 F150 A176 V177 K182	Y145-E180 HydrophobicContact CE2-CB 4.44Å; Y145-E180 HydrophobicContact CE2-CG 3.72Å; Y145-E180 VanDerWaalsContact OH-CG 3.25Å; Y145-E180 WeakPolarHBondContact OH-CG 3.43Å; F150-E180 HydrophobicContact CE1-CB 4.04Å; F150-E180 HydrophobicContact CE2-CB 4.39Å; F150-E180 HydrophobicContact CZ-CB 3.69Å; A176-E180 WeakPolarHBondContact O-CG 3.39Å; A176-E180 PolarHBondContact O-N 3.03Å; V177-E180 PolarHBondContact O-N 2.79Å; E180-K182 PolarHBondContact O-N 3.32Å
181	Q	97.7	Very high	98.2	Very high	77 Å²	77	43.4 Å²	43.4	36%	0.36	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.7	172.5	-69.6	176.2	-53.7	0	0	113.3	F150 H154 V177 Y178 F179 D183	F150-Q181 HydrophobicContact CB-CG 4.12Å; F150-Q181 HydrophobicContact CD2-CG 3.48Å; F150-Q181 VanDerWaalsContact CD2-CG 3.48Å; F150-Q181 HydrophobicContact CE2-CG 4.04Å; F150-Q181 HydrophobicContact CG-CG 3.92Å; H154-Q181 PolarHBondContact NE2-OE1 3.12Å; V177-Q181 WeakPolarHBondContact O-CG 3.48Å; V177-Q181 PolarHBondContact O-N 3.42Å; Y178-Q181 CarbonylContact O-C 3.45Å; Y178-Q181 PolarHBondContact O-N 2.86Å; F179-Q181 VanDerWaalsContact C-N 3.3Å; F179-Q181 PolarHBondContact O-N 3.32Å; Q181-D183 PolarHBondContact O-N 2.89Å
182	K	97.7	Very high	98.2	Very high	154 Å²	154	46.8 Å²	46.8	67%	0.67	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	19.7	-171.5	-50.5	179.7	-178.2	178.7	0	114	Y178 F179 E180 Y184	Y178-K182 PolarHBondContact O-N 3.43Å; Y178-K182 VanDerWaalsContact O-N 3.16Å; F179-K182 PolarHBondContact O-N 3.38Å; E180-K182 PolarHBondContact O-N 3.32Å; K182-Y184 VanDerWaalsContact C-N 3.3Å; K182-Y184 HydrophobicContact CB-CE1 4.5Å; K182-Y184 HydrophobicContact CB-CE2 4.26Å; K182-Y184 PolarHBondContact O-N 2.92Å; K182-Y184 VanDerWaalsContact O-N 3.14Å
183	D	98.1	Very high	98.3	Very high	63 Å²	63	50.1 Å²	50.1	34%	0.337	24%	0.235	S	C	.	.			trans	-85.6	78.1	170.7	-171.3	-18.4	0	0	0	108.3	Y178 Q181 D185 M186 C187	Y178-D183 HydrophobicContact CD1-CB 4.23Å; Y178-D183 PolarHBondContact O-N 3.48Å; Q181-D183 PolarHBondContact O-N 2.89Å; D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.66Å; D183-M186 HydrophobicContact CB-CB 4.45Å; D183-M186 PolarHBondContact O-N 3.02Å; D183-M186 WeakPolarHBondContact OD1-CB 3.26Å; D183-M186 WeakPolarHBondContact OD1-CG 3.17Å; D183-M186 PolarHBondContact OD1-N 2.97Å; D183-M186 VanDerWaalsContact OD2-CG 3.26Å; D183-M186 WeakPolarHBondContact OD2-CG 3.15Å; D183-C187 VanDerWaalsContact O-CB 3.29Å; D183-C187 WeakPolarHBondContact O-CB 3.35Å; D183-C187 PolarHBondContact O-N 2.88Å
184	Y	98.4	Very high	98.3	Very high	42 Å²	42	48.5 Å²	48.5	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-68.4	-33.3	-173.8	-59.1	-50.6	0	0	0	112.3	F179 K182 C187 I188 A218 K221 E222	F179-Y184 HydrophobicContact CD2-CD1 4.13Å; F179-Y184 HydrophobicContact CD2-CE1 4.05Å; F179-Y184 HydrophobicContact CE2-CD1 4.32Å; F179-Y184 AromaticContact CE2-CE1 3.99Å; F179-Y184 HydrophobicContact CE2-CE1 3.99Å; K182-Y184 VanDerWaalsContact C-N 3.3Å; K182-Y184 HydrophobicContact CB-CE1 4.5Å; K182-Y184 HydrophobicContact CB-CE2 4.26Å; K182-Y184 PolarHBondContact O-N 2.92Å; K182-Y184 VanDerWaalsContact O-N 3.14Å; Y184-C187 WeakPolarHBondContact O-CB 3.39Å; Y184-C187 PolarHBondContact O-N 3.35Å; Y184-I188 WeakPolarHBondContact O-CB 3.26Å; Y184-I188 WeakPolarHBondContact O-CD1 3.39Å; Y184-I188 VanDerWaalsContact O-CG1 3.26Å; Y184-I188 WeakPolarHBondContact O-CG1 3.21Å; Y184-I188 PolarHBondContact O-N 3.19Å; Y184-A218 HydrophobicContact CD1-CB 4.03Å; Y184-A218 HydrophobicContact CG-CB 4.4Å; Y184-K221 HydrophobicContact CD1-CB 4.37Å; Y184-K221 HydrophobicContact CD2-CB 4.33Å; Y184-K221 HydrophobicContact CE1-CB 3.74Å; Y184-K221 HydrophobicContact CE1-CG 3.95Å; Y184-K221 HydrophobicContact CE2-CB 3.68Å; Y184-K221 WeakPolarHBondContact OH-CB 3.3Å; Y184-E222 HydrophobicContact CD2-CG 3.72Å; Y184-E222 HydrophobicContact CG-CG 4.15Å
185	D	98.2	Very high	98.3	Very high	94 Å²	94	47.7 Å²	47.7	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-49.3	175.9	-74.2	-27.4	0	0	0	111.3	D183 I188 K189	D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.66Å; D185-I188 PolarHBondContact O-N 2.75Å; D185-K189 WeakPolarHBondContact O-CG 3.43Å; D185-K189 PolarHBondContact O-N 3.03Å
186	M	98.2	Very high	98.3	Very high	64 Å²	64	51.9 Å²	51.9	32%	0.315	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-32.6	177.1	-69.4	-59	-63.9	0	0	112.4	Y178 D183 K189 T190	Y178-M186 HydrophobicContact CD1-CB 3.64Å; Y178-M186 HydrophobicContact CD1-CG 4.49Å; Y178-M186 HydrophobicContact CD2-CB 3.91Å; Y178-M186 HydrophobicContact CE1-CB 3.81Å; Y178-M186 HydrophobicContact CE1-CG 4.3Å; Y178-M186 HydrophobicContact CE2-CB 4.04Å; Y178-M186 HydrophobicContact CE2-CE 4.24Å; Y178-M186 HydrophobicContact CG-CB 3.7Å; D183-M186 HydrophobicContact CB-CB 4.45Å; D183-M186 PolarHBondContact O-N 3.02Å; D183-M186 WeakPolarHBondContact OD1-CB 3.26Å; D183-M186 WeakPolarHBondContact OD1-CG 3.17Å; D183-M186 PolarHBondContact OD1-N 2.97Å; D183-M186 VanDerWaalsContact OD2-CG 3.26Å; D183-M186 WeakPolarHBondContact OD2-CG 3.15Å; M186-K189 HydrophobicContact SD-CD 4.22Å; M186-T190 VanDerWaalsContact O-CB 3.24Å; M186-T190 WeakPolarHBondContact O-CB 3.49Å; M186-T190 PolarHBondContact O-N 3.28Å; M186-T190 PolarHBondContact O-OG1 2.89Å
187	C	98.7	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-50.4	171.8	175.4	0	0	0	0	111.3	A175 F179 D183 Y184 T190 C191	A175-C187 PolarHBondContact O-SG 3.14Å; F179-C187 HydrophobicContact CB-CB 4.45Å; D183-C187 VanDerWaalsContact O-CB 3.29Å; D183-C187 WeakPolarHBondContact O-CB 3.35Å; D183-C187 PolarHBondContact O-N 2.88Å; Y184-C187 WeakPolarHBondContact O-CB 3.39Å; Y184-C187 PolarHBondContact O-N 3.35Å; C187-T190 PolarHBondContact O-N 3.1Å; C187-C191 WeakPolarHBondContact O-CB 3.48Å; C187-C191 PolarHBondContact O-N 3.47Å; C187-C191 PolarHBondContact O-SG 3.17Å
188	I	98.6	Very high	97.9	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-51.9	-179.6	-69.5	161.3	0	0	0	110	Y184 D185 T190 C191 E192 A218 Y219	Y184-I188 WeakPolarHBondContact O-CB 3.26Å; Y184-I188 WeakPolarHBondContact O-CD1 3.39Å; Y184-I188 VanDerWaalsContact O-CG1 3.26Å; Y184-I188 WeakPolarHBondContact O-CG1 3.21Å; Y184-I188 PolarHBondContact O-N 3.19Å; D185-I188 PolarHBondContact O-N 2.75Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 3.01Å; I188-C191 CarbonylContact O-C 3.23Å; I188-C191 WeakPolarHBondContact O-CB 3.21Å; I188-C191 PolarHBondContact O-N 3.49Å; I188-C191 VanDerWaalsContact O-N 3.09Å; I188-E192 HydrophobicContact CG2-CG 4.44Å; I188-E192 WeakPolarHBondContact O-CG 3.21Å; I188-E192 PolarHBondContact O-N 2.69Å; I188-A218 HydrophobicContact CD1-CB 4.03Å; I188-A218 HydrophobicContact CG1-CB 3.8Å; I188-Y219 HydrophobicContact CD1-CD1 4.31Å; I188-Y219 HydrophobicContact CD1-CD2 4.13Å; I188-Y219 HydrophobicContact CD1-CE1 4.01Å; I188-Y219 HydrophobicContact CD1-CE2 3.77Å; I188-Y219 HydrophobicContact CD1-CG 4.38Å; I188-Y219 HydrophobicContact CG1-CE2 4.14Å; I188-Y219 HydrophobicContact CG2-CE2 4.26Å
189	K	98.6	Very high	97.7	Very high	125 Å²	125	55 Å²	55	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-42.2	178	-71.8	173.9	-176.5	171.4	0	112.7	D185 M186 E192 K193	D185-K189 WeakPolarHBondContact O-CG 3.43Å; D185-K189 PolarHBondContact O-N 3.03Å; M186-K189 HydrophobicContact SD-CD 4.22Å; K189-E192 PolarHBondContact O-N 3.24Å; K189-K193 PolarHBondContact O-N 3.28Å; K189-K193 VanDerWaalsContact O-N 3.08Å
190	T	98.6	Very high	97.5	Very high	14 Å²	14	59.6 Å²	59.6	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-70.1	-36.7	179.2	-53.4	0	0	0	0	111.6	Y171 K174 A175 Y178 M186 C187 I188 K193 A194	Y171-T190 WeakPolarHBondContact O-CG2 3.44Å; K174-T190 HydrophobicContact CB-CG2 4.08Å; K174-T190 HydrophobicContact CD-CG2 4.29Å; K174-T190 HydrophobicContact CG-CG2 4.27Å; A175-T190 HydrophobicContact CB-CG2 3.92Å; Y178-T190 WeakPolarHBondContact CD2-OG1 3.42Å; Y178-T190 VanDerWaalsContact CE2-OG1 3.32Å; Y178-T190 WeakPolarHBondContact CE2-OG1 3.48Å; M186-T190 VanDerWaalsContact O-CB 3.24Å; M186-T190 WeakPolarHBondContact O-CB 3.49Å; M186-T190 PolarHBondContact O-N 3.28Å; M186-T190 PolarHBondContact O-OG1 2.89Å; C187-T190 PolarHBondContact O-N 3.1Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 3.01Å; T190-K193 PolarHBondContact O-N 2.76Å; T190-A194 PolarHBondContact O-N 3.42Å
191	C	98.6	Very high	97.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-36.7	171.4	-78.1	0	0	0	0	112.1	A175 C187 I188 K193 A194 V195 A211 M215	A175-C191 WeakPolarHBondContact CB-SG 3.25Å; C187-C191 WeakPolarHBondContact O-CB 3.48Å; C187-C191 PolarHBondContact O-N 3.47Å; C187-C191 PolarHBondContact O-SG 3.17Å; I188-C191 CarbonylContact O-C 3.23Å; I188-C191 WeakPolarHBondContact O-CB 3.21Å; I188-C191 PolarHBondContact O-N 3.49Å; I188-C191 VanDerWaalsContact O-N 3.09Å; C191-K193 VanDerWaalsContact C-N 3.32Å; C191-A194 VanDerWaalsContact O-CB 3.31Å; C191-A194 WeakPolarHBondContact O-CB 3.39Å; C191-A194 PolarHBondContact O-N 3.07Å; C191-A194 VanDerWaalsContact O-N 3.16Å; C191-V195 WeakPolarHBondContact O-CG2 3.44Å; C191-V195 PolarHBondContact O-N 2.84Å; C191-A211 HydrophobicContact CB-CB 4.37Å; C191-A211 PolarHBondContact SG-O 2.64Å; C191-M215 HydrophobicContact CB-CE 3.42Å; C191-M215 VanDerWaalsContact CB-CE 3.42Å; C191-M215 HydrophobicContact CB-CG 3.5Å; C191-M215 HydrophobicContact CB-SD 4.32Å; C191-M215 VanDerWaalsContact O-CE 3.32Å; C191-M215 WeakPolarHBondContact O-CE 3.38Å
192	E	98.5	Very high	96.8	Very high	95 Å²	95	64.7 Å²	64.7	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-44.1	177.8	-73.2	173.7	155.5	0	0	109.7	I188 K189 A194 V195 E196 M215	I188-E192 HydrophobicContact CG2-CG 4.44Å; I188-E192 WeakPolarHBondContact O-CG 3.21Å; I188-E192 PolarHBondContact O-N 2.69Å; K189-E192 PolarHBondContact O-N 3.24Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.23Å; E192-V195 PolarHBondContact O-N 3.44Å; E192-E196 PolarHBondContact O-N 3.12Å; E192-M215 VanDerWaalsContact CA-CE 3.42Å; E192-M215 HydrophobicContact CB-CE 4.11Å; E192-M215 HydrophobicContact CG-CE 3.57Å; E192-M215 HydrophobicContact CG-SD 4.44Å
193	K	98.4	Very high	96.3	Very high	74 Å²	74	58.4 Å²	58.4	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-38.9	172	-169.3	52.3	168.9	172.1	0	112.5	Y171 K189 T190 C191 V195 E196 V197	Y171-K193 HydrophobicContact CD1-CB 4.32Å; Y171-K193 HydrophobicContact CD1-CG 3.81Å; Y171-K193 HydrophobicContact CE1-CG 3.68Å; K189-K193 PolarHBondContact O-N 3.28Å; K189-K193 VanDerWaalsContact O-N 3.08Å; T190-K193 PolarHBondContact O-N 2.76Å; C191-K193 VanDerWaalsContact C-N 3.32Å; K193-V195 VanDerWaalsContact C-N 3.33Å; K193-V195 PolarHBondContact O-N 2.95Å; K193-E196 HydrophobicContact CD-CB 4.45Å; K193-E196 WeakPolarHBondContact CD-OE2 3.42Å; K193-E196 IonicContact NZ-OE1 2.75Å; K193-E196 PolarHBondContact NZ-OE1 2.92Å; K193-E196 IonicContact NZ-OE2 2.7Å; K193-E196 PolarHBondContact NZ-OE2 3.37Å; K193-E196 PolarHBondContact O-N 2.63Å; K193-V197 HydrophobicContact CD-CG2 4.31Å; K193-V197 HydrophobicContact CG-CG2 4.48Å; K193-V197 WeakPolarHBondContact O-CG2 3.48Å; K193-V197 PolarHBondContact O-N 2.79Å
194	A	98.1	Very high	96	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-43.4	174.5	0	0	0	0	0	111.5	I168 T190 C191 E192 G198 A211	I168-A194 HydrophobicContact CD1-CB 4.38Å; I168-A194 WeakPolarHBondContact CD1-O 3.48Å; I168-A194 HydrophobicContact CG1-CB 3.92Å; I168-A194 WeakPolarHBondContact CG1-O 3.48Å; T190-A194 PolarHBondContact O-N 3.42Å; C191-A194 VanDerWaalsContact O-CB 3.31Å; C191-A194 WeakPolarHBondContact O-CB 3.39Å; C191-A194 PolarHBondContact O-N 3.07Å; C191-A194 VanDerWaalsContact O-N 3.16Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.23Å; A194-G198 PolarHBondContact O-N 3.43Å; A194-A211 HydrophobicContact CB-CB 4.11Å
195	V	98.2	Very high	95.7	Very high	15 Å²	15	64.1 Å²	64.1	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-46	176.8	171.6	0	0	0	0	111.1	C191 E192 K193 G198 R199 I208 A211 Y212 M215	C191-V195 WeakPolarHBondContact O-CG2 3.44Å; C191-V195 PolarHBondContact O-N 2.84Å; E192-V195 PolarHBondContact O-N 3.44Å; K193-V195 VanDerWaalsContact C-N 3.33Å; K193-V195 PolarHBondContact O-N 2.95Å; V195-G198 PolarHBondContact O-N 3.28Å; V195-R199 HydrophobicContact CG1-CG 4.43Å; V195-R199 WeakPolarHBondContact O-CG 3.35Å; V195-R199 PolarHBondContact O-N 3.45Å; V195-I208 HydrophobicContact CG1-CG2 4.22Å; V195-I208 HydrophobicContact CG2-CG2 4.22Å; V195-A211 HydrophobicContact CG2-CB 3.78Å; V195-Y212 HydrophobicContact CG1-CE1 4.27Å; V195-Y212 HydrophobicContact CG1-CE2 4.35Å; V195-Y212 WeakPolarHBondContact CG1-OH 3.37Å; V195-Y212 HydrophobicContact CG2-CD1 4.16Å; V195-Y212 HydrophobicContact CG2-CE1 3.93Å; V195-Y212 HydrophobicContact CG2-CE2 4.33Å; V195-Y212 HydrophobicContact CG2-CG 4.46Å; V195-M215 HydrophobicContact CG2-CE 3.91Å
196	E	97.9	Very high	95.7	Very high	88 Å²	88	63.9 Å²	63.9	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-54.2	-56.5	176.6	-173.7	-168.8	156.5	0	0	111	E192 K193 G198 R199 E200	E192-E196 PolarHBondContact O-N 3.12Å; K193-E196 HydrophobicContact CD-CB 4.45Å; K193-E196 WeakPolarHBondContact CD-OE2 3.42Å; K193-E196 IonicContact NZ-OE1 2.75Å; K193-E196 PolarHBondContact NZ-OE1 2.92Å; K193-E196 IonicContact NZ-OE2 2.7Å; K193-E196 PolarHBondContact NZ-OE2 3.37Å; K193-E196 PolarHBondContact O-N 2.63Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3.5Å; E196-R199 PolarHBondContact O-N 3.04Å; E196-R199 VanDerWaalsContact O-N 3.1Å; E196-E200 WeakPolarHBondContact O-CG 3.15Å; E196-E200 PolarHBondContact O-N 2.9Å
197	V	94.6	Very high	95.5	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-42.7	177.5	173.2	0	0	0	0	111.1	E166 Y171 K193 R199 E200 C201	E166-V197 WeakPolarHBondContact O-CG1 3.2Å; Y171-V197 HydrophobicContact CD2-CG1 4.45Å; Y171-V197 HydrophobicContact CD2-CG2 4.39Å; Y171-V197 HydrophobicContact CE1-CG2 4.48Å; Y171-V197 HydrophobicContact CE2-CB 4.3Å; Y171-V197 HydrophobicContact CE2-CG1 4.04Å; Y171-V197 HydrophobicContact CE2-CG2 3.85Å; K193-V197 HydrophobicContact CD-CG2 4.31Å; K193-V197 HydrophobicContact CG-CG2 4.48Å; K193-V197 WeakPolarHBondContact O-CG2 3.48Å; K193-V197 PolarHBondContact O-N 2.79Å; V197-R199 VanDerWaalsContact C-N 3.29Å; V197-R199 PolarHBondContact O-N 3.12Å; V197-E200 PolarHBondContact O-N 3.3Å; V197-C201 WeakPolarHBondContact O-CB 3.39Å; V197-C201 PolarHBondContact O-N 3.49Å; V197-C201 PolarHBondContact O-SG 3.49Å; V197-C201 VanDerWaalsContact O-SG 3.41Å
198	G	94.8	Very high	95.5	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-36.3	177.6	0	0	0	0	0	113.8	A194 V195 E196 R202 A203	A194-G198 PolarHBondContact O-N 3.43Å; V195-G198 PolarHBondContact O-N 3.28Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3.5Å; G198-R202 PolarHBondContact O-N 3.48Å; G198-A203 PolarHBondContact O-N 3.07Å
199	R	94.1	Very high	95.4	Very high	104 Å²	104	62.6 Å²	62.6	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-74.6	-45.4	176.8	-69.2	-59.9	-166.1	-147.4	2.6	112.1	V195 E196 V197 C201 R202 I208 E238	V195-R199 HydrophobicContact CG1-CG 4.43Å; V195-R199 WeakPolarHBondContact O-CG 3.35Å; V195-R199 PolarHBondContact O-N 3.45Å; E196-R199 PolarHBondContact O-N 3.04Å; E196-R199 VanDerWaalsContact O-N 3.1Å; V197-R199 VanDerWaalsContact C-N 3.29Å; V197-R199 PolarHBondContact O-N 3.12Å; R199-C201 VanDerWaalsContact C-N 3.34Å; R199-C201 PolarHBondContact O-N 2.79Å; R199-R202 PolarHBondContact O-N 2.76Å; R199-I208 VanDerWaalsContact NH1-CD1 3.32Å; R199-E238 IonicContact CZ-OE1 3.07Å; R199-E238 IonicContact CZ-OE2 3.61Å; R199-E238 VanDerWaalsContact CZ-OE2 3.3Å; R199-E238 IonicContact NH1-OE1 2.61Å; R199-E238 IonicContact NH1-OE2 2.72Å; R199-E238 PolarHBondContact NH1-OE2 3.5Å; R199-E238 IonicContact NH2-OE1 3.13Å; R199-E238 PolarHBondContact NH2-OE1 3.47Å; R199-E238 IonicContact NH2-OE2 3.35Å; R199-E238 PolarHBondContact NH2-OE2 2.88Å
200	E	94.6	Very high	95.4	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-45.1	178.9	-71.1	178.6	164.8	0	0	111.3	E196 V197 R202	E196-E200 WeakPolarHBondContact O-CG 3.15Å; E196-E200 PolarHBondContact O-N 2.9Å; V197-E200 PolarHBondContact O-N 3.3Å; E200-R202 PolarHBondContact O-N 3.41Å
201	C	89.1	Confident	95.4	Very high	51 Å²	51	60.6 Å²	60.6	35%	0.345	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.5	-176.8	-55.5	0	0	0	0	113.7	E166 V197 R199 A203	E166-C201 VanDerWaalsContact CB-SG 3.5Å; E166-C201 PolarHBondContact O-SG 3.32Å; E166-C201 VanDerWaalsContact O-SG 3.37Å; V197-C201 WeakPolarHBondContact O-CB 3.39Å; V197-C201 PolarHBondContact O-N 3.49Å; V197-C201 PolarHBondContact O-SG 3.49Å; V197-C201 VanDerWaalsContact O-SG 3.41Å; R199-C201 VanDerWaalsContact C-N 3.34Å; R199-C201 PolarHBondContact O-N 2.79Å; C201-A203 VanDerWaalsContact C-N 3.29Å; C201-A203 PolarHBondContact O-N 3.01Å
202	R	90.6	Very high	95.4	Very high	226 Å²	226	62.3 Å²	62.3	85%	0.853	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	45.3	-177.2	-56.3	-179	179.3	-178.4	-0.1	113	G198 R199 E200	G198-R202 PolarHBondContact O-N 3.48Å; R199-R202 PolarHBondContact O-N 2.76Å; E200-R202 PolarHBondContact O-N 3.41Å
203	A	88.2	Confident	95.4	Very high	22 Å²	22	58.2 Å²	58.2	18%	0.182	27%	0.268	C	S	.	.			trans	-63	161.4	178.6	0	0	0	0	0	112.2	I168 G198 C201 F205	I168-A203 HydrophobicContact CB-CB 4.42Å; I168-A203 HydrophobicContact CG2-CB 3.62Å; G198-A203 PolarHBondContact O-N 3.07Å; C201-A203 VanDerWaalsContact C-N 3.29Å; C201-A203 PolarHBondContact O-N 3.01Å; A203-F205 PolarHBondContact O-N 3.37Å
204	D	90.2	Very high	95.4	Very high	101 Å²	101	56.7 Å²	56.7	54%	0.54	26%	0.26	S	S	.	.			trans	-52.8	126.8	173.6	-175.2	-25.5	0	0	0	110.5	K206 L207 I208	D204-K206 PolarHBondContact O-N 3.07Å; D204-K206 VanDerWaalsContact OD1-CB 3.24Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 PolarHBondContact OD1-N 3.03Å; D204-L207 HydrophobicContact CB-CD1 4.43Å; D204-L207 HydrophobicContact CB-CG 4.37Å; D204-L207 WeakPolarHBondContact O-CB 3.5Å; D204-L207 PolarHBondContact O-N 3.17Å; D204-I208 PolarHBondContact O-N 3.26Å
205	F	94.1	Very high	95.4	Very high	123 Å²	123	56.8 Å²	56.8	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-52.8	-28.8	178.2	-59.3	-69	0	0	0	112.7	A203 L207 I208 G209 E238	A203-F205 PolarHBondContact O-N 3.37Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 2.84Å; F205-I208 PolarHBondContact O-N 2.97Å; F205-G209 PolarHBondContact O-N 3.24Å; F205-E238 WeakPolarHBondContact CB-O 3.44Å
206	K	96.2	Very high	95.5	Very high	90 Å²	90	56.1 Å²	56.1	39%	0.391	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-36	173.5	-174.4	174	-175.7	176.4	0	112.8	D204 K210 H239	D204-K206 PolarHBondContact O-N 3.07Å; D204-K206 VanDerWaalsContact OD1-CB 3.24Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 PolarHBondContact OD1-N 3.03Å; K206-K210 VanDerWaalsContact O-CG 3.29Å; K206-K210 WeakPolarHBondContact O-CG 3.32Å; K206-K210 PolarHBondContact O-N 3.5Å; K206-H239 HydrophobicContact CB-CB 4.5Å
207	L	95.1	Very high	95.5	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-75	-35.8	178.5	-61.7	176.8	0	0	0	111.7	I168 N172 D204 F205 K210 A211	I168-L207 HydrophobicContact CD1-CB 4.05Å; I168-L207 HydrophobicContact CG2-CB 3.8Å; I168-L207 HydrophobicContact CG2-CD1 3.56Å; I168-L207 HydrophobicContact CG2-CG 4.3Å; N172-L207 PolarHBondContact ND2-O 3.04Å; D204-L207 HydrophobicContact CB-CD1 4.43Å; D204-L207 HydrophobicContact CB-CG 4.37Å; D204-L207 WeakPolarHBondContact O-CB 3.5Å; D204-L207 PolarHBondContact O-N 3.17Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 2.84Å; L207-K210 HydrophobicContact CD2-CD 4.43Å; L207-K210 PolarHBondContact O-N 2.96Å; L207-A211 PolarHBondContact O-N 3.39Å
208	I	97.8	Very high	95.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-45.5	174.3	-55.8	178.9	0	0	0	109.8	I168 V195 R199 D204 F205 K210 A211 Y212 E238	I168-I208 HydrophobicContact CD1-CG1 3.96Å; V195-I208 HydrophobicContact CG1-CG2 4.22Å; V195-I208 HydrophobicContact CG2-CG2 4.22Å; R199-I208 VanDerWaalsContact NH1-CD1 3.32Å; D204-I208 PolarHBondContact O-N 3.26Å; F205-I208 PolarHBondContact O-N 2.97Å; I208-K210 VanDerWaalsContact C-N 3.31Å; I208-K210 PolarHBondContact O-N 3.34Å; I208-A211 WeakPolarHBondContact O-CB 3.46Å; I208-A211 PolarHBondContact O-N 3Å; I208-Y212 HydrophobicContact CG2-CD2 4.1Å; I208-Y212 HydrophobicContact CG2-CE2 3.8Å; I208-Y212 PolarHBondContact O-N 3.26Å; I208-Y212 VanDerWaalsContact O-N 3.1Å; I208-E238 HydrophobicContact CB-CG 4.29Å; I208-E238 HydrophobicContact CG2-CG 3.89Å
209	G	97.9	Very high	95.9	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-42.9	173.2	0	0	0	0	0	112.3	F205 A211 Y212 A213 S235	F205-G209 PolarHBondContact O-N 3.24Å; G209-A211 VanDerWaalsContact C-N 3.32Å; G209-A211 PolarHBondContact O-N 3.14Å; G209-Y212 PolarHBondContact O-N 3.19Å; G209-A213 WeakPolarHBondContact O-CB 3.4Å; G209-A213 PolarHBondContact O-N 3.01Å; G209-S235 PolarHBondContact O-OG 3.44Å
210	K	97.8	Very high	96.1	Very high	97 Å²	97	52.1 Å²	52.1	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-38.2	174.1	-80.1	176.8	179.4	-174.5	0	113.5	K206 L207 I208 R214	K206-K210 VanDerWaalsContact O-CG 3.29Å; K206-K210 WeakPolarHBondContact O-CG 3.32Å; K206-K210 PolarHBondContact O-N 3.5Å; L207-K210 HydrophobicContact CD2-CD 4.43Å; L207-K210 PolarHBondContact O-N 2.96Å; I208-K210 VanDerWaalsContact C-N 3.31Å; I208-K210 PolarHBondContact O-N 3.34Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.1Å
211	A	98.4	Very high	96.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-47.8	177	0	0	0	0	0	110.9	N172 C191 A194 V195 L207 I208 G209 A213 R214 M215	N172-A211 WeakPolarHBondContact OD1-CA 3.34Å; N172-A211 PolarHBondContact OD1-N 2.82Å; C191-A211 HydrophobicContact CB-CB 4.37Å; C191-A211 PolarHBondContact SG-O 2.64Å; A194-A211 HydrophobicContact CB-CB 4.11Å; V195-A211 HydrophobicContact CG2-CB 3.78Å; L207-A211 PolarHBondContact O-N 3.39Å; I208-A211 WeakPolarHBondContact O-CB 3.46Å; I208-A211 PolarHBondContact O-N 3Å; G209-A211 VanDerWaalsContact C-N 3.32Å; G209-A211 PolarHBondContact O-N 3.14Å; A211-A213 PolarHBondContact O-N 2.88Å; A211-R214 PolarHBondContact O-N 3.07Å; A211-M215 WeakPolarHBondContact O-CG 3.06Å; A211-M215 PolarHBondContact O-N 2.71Å
212	Y	98.7	Very high	96.6	Very high	35 Å²	35	52 Å²	52	14%	0.137	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-42.8	174.8	-74.6	-49	0	0	0	113	V195 I208 G209 R214 M215 A216 F231 K234 E238	V195-Y212 HydrophobicContact CG1-CE1 4.27Å; V195-Y212 HydrophobicContact CG1-CE2 4.35Å; V195-Y212 WeakPolarHBondContact CG1-OH 3.37Å; V195-Y212 HydrophobicContact CG2-CD1 4.16Å; V195-Y212 HydrophobicContact CG2-CE1 3.93Å; V195-Y212 HydrophobicContact CG2-CE2 4.33Å; V195-Y212 HydrophobicContact CG2-CG 4.46Å; I208-Y212 HydrophobicContact CG2-CD2 4.1Å; I208-Y212 HydrophobicContact CG2-CE2 3.8Å; I208-Y212 PolarHBondContact O-N 3.26Å; I208-Y212 VanDerWaalsContact O-N 3.1Å; G209-Y212 PolarHBondContact O-N 3.19Å; Y212-R214 PolarHBondContact O-N 3.13Å; Y212-M215 HydrophobicContact CD1-CE 4.27Å; Y212-M215 HydrophobicContact CD1-SD 3.74Å; Y212-M215 HydrophobicContact CE1-SD 4.29Å; Y212-M215 WeakPolarHBondContact O-CB 3.38Å; Y212-M215 PolarHBondContact O-N 3.47Å; Y212-A216 PolarHBondContact O-N 2.97Å; Y212-F231 AromaticContact CD1-CD1 3.85Å; Y212-F231 HydrophobicContact CD1-CD1 3.85Å; Y212-F231 HydrophobicContact CD1-CE1 4.3Å; Y212-F231 HydrophobicContact CE1-CD1 4.36Å; Y212-F231 HydrophobicContact CE1-CE1 4.43Å; Y212-K234 HydrophobicContact CD1-CB 4.07Å; Y212-K234 HydrophobicContact CD1-CD 4.31Å; Y212-K234 HydrophobicContact CD2-CB 4.01Å; Y212-K234 HydrophobicContact CE1-CB 4.24Å; Y212-K234 HydrophobicContact CE1-CD 3.97Å; Y212-K234 HydrophobicContact CE2-CB 4.17Å; Y212-K234 HydrophobicContact CG-CB 3.95Å; Y212-E238 HydrophobicContact CD2-CG 3.75Å; Y212-E238 HydrophobicContact CE2-CG 3.85Å
213	A	98.6	Very high	96.9	Very high	9 Å²	9	48.2 Å²	48.2	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-35.9	176.2	0	0	0	0	0	112	G209 A211 A216 L217 V244	G209-A213 WeakPolarHBondContact O-CB 3.4Å; G209-A213 PolarHBondContact O-N 3.01Å; A211-A213 PolarHBondContact O-N 2.88Å; A213-A216 PolarHBondContact O-N 3.45Å; A213-L217 WeakPolarHBondContact O-CG 3.43Å; A213-L217 PolarHBondContact O-N 2.91Å; A213-V244 HydrophobicContact CB-CG1 4.48Å; A213-V244 HydrophobicContact CB-CG2 3.87Å
214	R	98.6	Very high	97.4	Very high	42 Å²	42	50.8 Å²	50.8	16%	0.158	24%	0.236	C	C	.	.	H	α-helix	trans	-73.2	-37.6	176.3	-169	-179	-61.6	100	-3.3	112.5	N172 F179 K210 A211 Y212 A216 L217 A218	N172-R214 PolarHBondContact O-NH1 2.73Å; N172-R214 PolarHBondContact O-NH2 2.75Å; N172-R214 PolarHBondContact OD1-NH1 2.65Å; F179-R214 HydrophobicContact CD2-CG 4.4Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.1Å; A211-R214 PolarHBondContact O-N 3.07Å; Y212-R214 PolarHBondContact O-N 3.13Å; R214-A216 VanDerWaalsContact C-N 3.33Å; R214-L217 PolarHBondContact O-N 3.1Å; R214-A218 PolarHBondContact O-N 2.74Å
215	M	98.8	Very high	97.8	Very high	3 Å²	3	47 Å²	47	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-47.9	169.6	-62.4	170.9	-174.7	0	0	110.6	C191 E192 V195 A211 Y212 L217 A218 Y219 F231	C191-M215 HydrophobicContact CB-CE 3.42Å; C191-M215 VanDerWaalsContact CB-CE 3.42Å; C191-M215 HydrophobicContact CB-CG 3.5Å; C191-M215 HydrophobicContact CB-SD 4.32Å; C191-M215 VanDerWaalsContact O-CE 3.32Å; C191-M215 WeakPolarHBondContact O-CE 3.38Å; E192-M215 VanDerWaalsContact CA-CE 3.42Å; E192-M215 HydrophobicContact CB-CE 4.11Å; E192-M215 HydrophobicContact CG-CE 3.57Å; E192-M215 HydrophobicContact CG-SD 4.44Å; V195-M215 HydrophobicContact CG2-CE 3.91Å; A211-M215 WeakPolarHBondContact O-CG 3.06Å; A211-M215 PolarHBondContact O-N 2.71Å; Y212-M215 HydrophobicContact CD1-CE 4.27Å; Y212-M215 HydrophobicContact CD1-SD 3.74Å; Y212-M215 HydrophobicContact CE1-SD 4.29Å; Y212-M215 WeakPolarHBondContact O-CB 3.38Å; Y212-M215 PolarHBondContact O-N 3.47Å; M215-L217 VanDerWaalsContact C-N 3.3Å; M215-L217 PolarHBondContact O-N 3.25Å; M215-A218 WeakPolarHBondContact O-CB 3.49Å; M215-A218 PolarHBondContact O-N 2.86Å; M215-Y219 HydrophobicContact CB-CD2 4.49Å; M215-Y219 WeakPolarHBondContact O-CD2 3.23Å; M215-Y219 PolarHBondContact O-N 3.28Å; M215-F231 HydrophobicContact CB-CB 4.28Å; M215-F231 HydrophobicContact CB-CD1 4.01Å; M215-F231 HydrophobicContact CB-CE1 4.47Å; M215-F231 HydrophobicContact CB-CG 4.02Å; M215-F231 HydrophobicContact CG-CD1 4.48Å; M215-F231 HydrophobicContact SD-CD1 3.51Å; M215-F231 VanDerWaalsContact SD-CD1 3.51Å; M215-F231 HydrophobicContact SD-CE1 3.38Å; M215-F231 WeakPolarHBondContact SD-CE1 3.41Å; M215-F231 HydrophobicContact SD-CG 4.41Å; M215-F231 HydrophobicContact SD-CZ 4.22Å
216	A	98.7	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-41.1	178.6	0	0	0	0	0	112.1	Y212 A213 R214 T220 A228 F231 Y232	Y212-A216 PolarHBondContact O-N 2.97Å; A213-A216 PolarHBondContact O-N 3.45Å; R214-A216 VanDerWaalsContact C-N 3.33Å; A216-T220 WeakPolarHBondContact O-CB 3.25Å; A216-T220 PolarHBondContact O-N 3.44Å; A216-T220 PolarHBondContact O-OG1 2.84Å; A216-A228 WeakPolarHBondContact CB-O 3.48Å; A216-A228 WeakPolarHBondContact O-CB 3.41Å; A216-F231 HydrophobicContact CB-CB 3.72Å; A216-Y232 HydrophobicContact CB-CD1 3.4Å; A216-Y232 VanDerWaalsContact CB-CD1 3.4Å; A216-Y232 HydrophobicContact CB-CD2 3.75Å; A216-Y232 HydrophobicContact CB-CE1 3.46Å; A216-Y232 VanDerWaalsContact CB-CE1 3.46Å; A216-Y232 HydrophobicContact CB-CE2 3.79Å; A216-Y232 HydrophobicContact CB-CG 3.54Å
217	L	98.4	Very high	98	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-42.4	172.6	-78.2	168.2	0	0	0	112.4	F179 A213 R214 M215 T220 K221 Y232	F179-L217 HydrophobicContact CE2-CB 3.72Å; F179-L217 HydrophobicContact CZ-CB 3.97Å; A213-L217 WeakPolarHBondContact O-CG 3.43Å; A213-L217 PolarHBondContact O-N 2.91Å; R214-L217 PolarHBondContact O-N 3.1Å; M215-L217 VanDerWaalsContact C-N 3.3Å; M215-L217 PolarHBondContact O-N 3.25Å; L217-T220 WeakPolarHBondContact O-CB 3.26Å; L217-T220 PolarHBondContact O-N 3.39Å; L217-K221 WeakPolarHBondContact O-CG 3.46Å; L217-K221 PolarHBondContact O-N 3.02Å; L217-Y232 WeakPolarHBondContact CD2-OH 3.49Å
218	A	98.6	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-50.1	177.5	0	0	0	0	0	111.1	F179 Y184 I188 R214 M215 T220 K221 E222	F179-A218 HydrophobicContact CD2-CB 4.32Å; F179-A218 HydrophobicContact CE2-CB 4.42Å; Y184-A218 HydrophobicContact CD1-CB 4.03Å; Y184-A218 HydrophobicContact CG-CB 4.4Å; I188-A218 HydrophobicContact CD1-CB 4.03Å; I188-A218 HydrophobicContact CG1-CB 3.8Å; R214-A218 PolarHBondContact O-N 2.74Å; M215-A218 WeakPolarHBondContact O-CB 3.49Å; M215-A218 PolarHBondContact O-N 2.86Å; A218-T220 VanDerWaalsContact C-N 3.27Å; A218-T220 PolarHBondContact O-N 3.03Å; A218-K221 WeakPolarHBondContact O-CA 3.36Å; A218-K221 WeakPolarHBondContact O-CB 3.46Å; A218-K221 PolarHBondContact O-N 3.35Å; A218-E222 PolarHBondContact O-N 3.26Å
219	Y	98.6	Very high	98.2	Very high	39 Å²	39	46 Å²	46	15%	0.153	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-36.8	174.2	-77.5	-67.9	0	0	0	112.8	I188 M215 K221 E222 E223 K224 E227 F231	I188-Y219 HydrophobicContact CD1-CD1 4.31Å; I188-Y219 HydrophobicContact CD1-CD2 4.13Å; I188-Y219 HydrophobicContact CD1-CE1 4.01Å; I188-Y219 HydrophobicContact CD1-CE2 3.77Å; I188-Y219 HydrophobicContact CD1-CG 4.38Å; I188-Y219 HydrophobicContact CG1-CE2 4.14Å; I188-Y219 HydrophobicContact CG2-CE2 4.26Å; M215-Y219 HydrophobicContact CB-CD2 4.49Å; M215-Y219 WeakPolarHBondContact O-CD2 3.23Å; M215-Y219 PolarHBondContact O-N 3.28Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.25Å; Y219-E222 CarbonylContact O-C 3.57Å; Y219-E222 PolarHBondContact O-N 3.43Å; Y219-E223 PolarHBondContact O-N 3.36Å; Y219-K224 HydrophobicContact CD1-CB 3.86Å; Y219-K224 HydrophobicContact CD1-CD 3.79Å; Y219-K224 HydrophobicContact CD1-CG 4.49Å; Y219-K224 HydrophobicContact CE1-CD 4.11Å; Y219-K224 PolarHBondContact O-N 2.98Å; Y219-E227 HydrophobicContact CD1-CB 3.62Å; Y219-E227 HydrophobicContact CD1-CG 4.32Å; Y219-E227 HydrophobicContact CD2-CB 4.37Å; Y219-E227 HydrophobicContact CE1-CB 3.92Å; Y219-E227 HydrophobicContact CE1-CG 4.27Å; Y219-E227 HydrophobicContact CG-CB 3.87Å; Y219-F231 AromaticContact CD2-CD2 3.45Å; Y219-F231 HydrophobicContact CD2-CD2 3.45Å; Y219-F231 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F231 AromaticContact CD2-CE2 3.74Å; Y219-F231 HydrophobicContact CD2-CE2 3.74Å; Y219-F231 HydrophobicContact CD2-CG 4.36Å; Y219-F231 AromaticContact CE2-CD2 3.35Å; Y219-F231 HydrophobicContact CE2-CD2 3.35Å; Y219-F231 AromaticContact CE2-CE2 3.1Å; Y219-F231 HydrophobicContact CE2-CE2 3.1Å; Y219-F231 HydrophobicContact CE2-CG 4.37Å; Y219-F231 AromaticContact CE2-CZ 3.95Å; Y219-F231 HydrophobicContact CE2-CZ 3.95Å; Y219-F231 AromaticContact CZ-CE2 3.76Å
220	T	98.3	Very high	98.2	Very high	34 Å²	34	48.4 Å²	48.4	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-38.3	174.6	-56.1	0	0	0	0	111.5	A216 L217 A218 E222 E223 F225 A228 V251	A216-T220 WeakPolarHBondContact O-CB 3.25Å; A216-T220 PolarHBondContact O-N 3.44Å; A216-T220 PolarHBondContact O-OG1 2.84Å; L217-T220 WeakPolarHBondContact O-CB 3.26Å; L217-T220 PolarHBondContact O-N 3.39Å; A218-T220 VanDerWaalsContact C-N 3.27Å; A218-T220 PolarHBondContact O-N 3.03Å; T220-E222 VanDerWaalsContact C-N 3.32Å; T220-E223 PolarHBondContact O-N 2.93Å; T220-F225 HydrophobicContact CG2-CE1 4.28Å; T220-A228 WeakPolarHBondContact OG1-CB 3.48Å; T220-V251 HydrophobicContact CG2-CG2 3.83Å
221	K	98	Very high	98.2	Very high	127 Å²	127	44.9 Å²	44.9	55%	0.552	21%	0.212	S	C	*	.	H	α-helix	trans	-71.5	-25.7	176.9	-70	-64.2	-177.8	-172.2	0	113.5	F179 Y184 L217 A218 Y219 E223	F179-K221 HydrophobicContact CE2-CG 4.19Å; F179-K221 HydrophobicContact CZ-CG 4.07Å; Y184-K221 HydrophobicContact CD1-CB 4.37Å; Y184-K221 HydrophobicContact CD2-CB 4.33Å; Y184-K221 HydrophobicContact CE1-CB 3.74Å; Y184-K221 HydrophobicContact CE1-CG 3.95Å; Y184-K221 HydrophobicContact CE2-CB 3.68Å; Y184-K221 WeakPolarHBondContact OH-CB 3.3Å; L217-K221 WeakPolarHBondContact O-CG 3.46Å; L217-K221 PolarHBondContact O-N 3.02Å; A218-K221 WeakPolarHBondContact O-CA 3.36Å; A218-K221 WeakPolarHBondContact O-CB 3.46Å; A218-K221 PolarHBondContact O-N 3.35Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.25Å; K221-E223 VanDerWaalsContact C-N 3.29Å
222	E	97.5	Very high	98.2	Very high	56 Å²	56	45 Å²	45	26%	0.262	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.3	171.7	-64.2	-169.2	98.7	0	0	113.5	Y184 A218 Y219 T220 K224	Y184-E222 HydrophobicContact CD2-CG 3.72Å; Y184-E222 HydrophobicContact CG-CG 4.15Å; A218-E222 PolarHBondContact O-N 3.26Å; Y219-E222 CarbonylContact O-C 3.57Å; Y219-E222 PolarHBondContact O-N 3.43Å; T220-E222 VanDerWaalsContact C-N 3.32Å; E222-K224 HydrophobicContact CB-CD 4.08Å; E222-K224 HydrophobicContact CB-CG 4.14Å; E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.12Å; E222-K224 IonicContact OE1-NZ 3.31Å; E222-K224 PolarHBondContact OE1-NZ 3.44Å; E222-K224 IonicContact OE2-NZ 2.63Å; E222-K224 PolarHBondContact OE2-NZ 3.08Å
223	E	97.1	Very high	98.2	Very high	147 Å²	147	46.8 Å²	46.8	69%	0.687	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	18.6	-176	-55.5	-174.3	171.2	0	0	114.5	Y219 T220 K221 F225	Y219-E223 PolarHBondContact O-N 3.36Å; T220-E223 PolarHBondContact O-N 2.93Å; K221-E223 VanDerWaalsContact C-N 3.29Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 HydrophobicContact CB-CE2 3.78Å; E223-F225 HydrophobicContact CB-CZ 3.85Å; E223-F225 HydrophobicContact CG-CE2 4.33Å; E223-F225 HydrophobicContact CG-CZ 3.99Å; E223-F225 WeakPolarHBondContact O-CD2 3.19Å; E223-F225 WeakPolarHBondContact O-CE2 3.24Å; E223-F225 PolarHBondContact O-N 3.15Å; E223-F225 VanDerWaalsContact O-N 3.09Å
224	K	97.9	Very high	98.2	Very high	76 Å²	76	50.2 Å²	50.2	33%	0.33	24%	0.237	S	C	.	.			trans	-86	66.9	173.7	-66.5	173.6	-169.3	158.5	0	109.8	Y219 E222 K226 E227 A228	Y219-K224 HydrophobicContact CD1-CB 3.86Å; Y219-K224 HydrophobicContact CD1-CD 3.79Å; Y219-K224 HydrophobicContact CD1-CG 4.49Å; Y219-K224 HydrophobicContact CE1-CD 4.11Å; Y219-K224 PolarHBondContact O-N 2.98Å; E222-K224 HydrophobicContact CB-CD 4.08Å; E222-K224 HydrophobicContact CB-CG 4.14Å; E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.12Å; E222-K224 IonicContact OE1-NZ 3.31Å; E222-K224 PolarHBondContact OE1-NZ 3.44Å; E222-K224 IonicContact OE2-NZ 2.63Å; E222-K224 PolarHBondContact OE2-NZ 3.08Å; K224-K226 PolarHBondContact O-N 3.49Å; K224-E227 HydrophobicContact CB-CB 4.36Å; K224-E227 PolarHBondContact O-N 2.88Å; K224-A228 WeakPolarHBondContact O-CB 3.43Å; K224-A228 PolarHBondContact O-N 3.23Å
225	F	98	Very high	98.2	Very high	21 Å²	21	48.2 Å²	48.2	9%	0.092	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-30.1	-165.8	-60.2	-65.2	0	0	0	114.5	T220 E223 A228 L229 V251 I254 V255	T220-F225 HydrophobicContact CG2-CE1 4.28Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 HydrophobicContact CB-CE2 3.78Å; E223-F225 HydrophobicContact CB-CZ 3.85Å; E223-F225 HydrophobicContact CG-CE2 4.33Å; E223-F225 HydrophobicContact CG-CZ 3.99Å; E223-F225 WeakPolarHBondContact O-CD2 3.19Å; E223-F225 WeakPolarHBondContact O-CE2 3.24Å; E223-F225 PolarHBondContact O-N 3.15Å; E223-F225 VanDerWaalsContact O-N 3.09Å; F225-A228 PolarHBondContact O-N 3.46Å; F225-L229 WeakPolarHBondContact O-CG 3.32Å; F225-L229 PolarHBondContact O-N 3.44Å; F225-V251 HydrophobicContact CB-CG1 3.9Å; F225-V251 HydrophobicContact CD1-CG1 4.01Å; F225-V251 HydrophobicContact CG-CG1 4.42Å; F225-V251 WeakPolarHBondContact O-CG1 3.2Å; F225-I254 HydrophobicContact CD1-CD1 4.33Å; F225-I254 HydrophobicContact CD1-CG2 4.14Å; F225-I254 HydrophobicContact CD2-CG2 3.66Å; F225-I254 HydrophobicContact CE1-CD1 3.89Å; F225-I254 HydrophobicContact CE1-CG2 4.09Å; F225-I254 HydrophobicContact CE2-CG2 3.62Å; F225-I254 HydrophobicContact CG-CG2 3.93Å; F225-I254 HydrophobicContact CZ-CD1 4.3Å; F225-I254 HydrophobicContact CZ-CG2 3.83Å; F225-V255 HydrophobicContact CB-CG2 3.45Å; F225-V255 VanDerWaalsContact CB-CG2 3.45Å
226	K	97	Very high	98.2	Very high	120 Å²	120	49.7 Å²	49.7	52%	0.522	24%	0.237	S	C	.	.	H	α-helix	trans	-69.9	-42.7	178.3	-68.7	-170.3	173.8	-161	0	111.2	K224 L229 S230 V255 E259	K224-K226 PolarHBondContact O-N 3.49Å; K226-L229 PolarHBondContact O-N 2.8Å; K226-S230 PolarHBondContact O-N 3.28Å; K226-S230 VanDerWaalsContact O-N 3.16Å; K226-V255 HydrophobicContact CG-CG1 4.25Å; K226-V255 HydrophobicContact CG-CG2 4.44Å; K226-E259 WeakPolarHBondContact CE-OE1 3.45Å; K226-E259 IonicContact NZ-OE1 2.69Å; K226-E259 PolarHBondContact NZ-OE1 3.36Å
227	E	97.9	Very high	98.1	Very high	90 Å²	90	54 Å²	54	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-45.4	172.5	-64.3	85.4	162.5	0	0	110.2	Y219 K224 L229 S230 F231	Y219-E227 HydrophobicContact CD1-CB 3.62Å; Y219-E227 HydrophobicContact CD1-CG 4.32Å; Y219-E227 HydrophobicContact CD2-CB 4.37Å; Y219-E227 HydrophobicContact CE1-CB 3.92Å; Y219-E227 HydrophobicContact CE1-CG 4.27Å; Y219-E227 HydrophobicContact CG-CB 3.87Å; K224-E227 HydrophobicContact CB-CB 4.36Å; K224-E227 PolarHBondContact O-N 2.88Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.7Å; E227-S230 WeakPolarHBondContact O-CB 3.03Å; E227-S230 PolarHBondContact O-N 3.05Å; E227-S230 VanDerWaalsContact O-N 3.13Å; E227-F231 VanDerWaalsContact O-CD2 3.25Å; E227-F231 WeakPolarHBondContact O-CD2 3.37Å; E227-F231 PolarHBondContact O-N 2.92Å
228	A	98.5	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-44.9	175.6	0	0	0	0	0	112.4	A216 T220 K224 F225 S230 F231 Y232 V251	A216-A228 WeakPolarHBondContact CB-O 3.48Å; A216-A228 WeakPolarHBondContact O-CB 3.41Å; T220-A228 WeakPolarHBondContact OG1-CB 3.48Å; K224-A228 WeakPolarHBondContact O-CB 3.43Å; K224-A228 PolarHBondContact O-N 3.23Å; F225-A228 PolarHBondContact O-N 3.46Å; A228-S230 PolarHBondContact O-N 3.4Å; A228-F231 PolarHBondContact O-N 3.32Å; A228-Y232 HydrophobicContact CB-CE2 4.43Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.23Å; A228-V251 HydrophobicContact CB-CG1 4.17Å
229	L	98.2	Very high	97.9	Very high	25 Å²	25	57 Å²	57	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-46.1	174.9	-76.6	179.2	0	0	0	112.3	F225 K226 E227 F231 Y232 D233 R248 V251 E252 V255	F225-L229 WeakPolarHBondContact O-CG 3.32Å; F225-L229 PolarHBondContact O-N 3.44Å; K226-L229 PolarHBondContact O-N 2.8Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.7Å; L229-F231 VanDerWaalsContact C-N 3.28Å; L229-F231 PolarHBondContact O-N 3.23Å; L229-Y232 PolarHBondContact O-N 3.42Å; L229-D233 PolarHBondContact O-N 3.44Å; L229-R248 HydrophobicContact CD2-CG 4.09Å; L229-V251 HydrophobicContact CD2-CB 4.08Å; L229-V251 HydrophobicContact CD2-CG1 3.89Å; L229-V251 HydrophobicContact CG-CG1 3.81Å; L229-E252 HydrophobicContact CD2-CB 4Å; L229-V255 HydrophobicContact CD1-CB 4.03Å; L229-V255 HydrophobicContact CD1-CG1 4.3Å; L229-V255 HydrophobicContact CD1-CG2 3.68Å; L229-V255 HydrophobicContact CG-CG2 4.35Å
230	S	98.4	Very high	97.8	Very high	55 Å²	55	64 Å²	64	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-57.1	-43.1	178	-174	0	0	0	0	111.8	K226 E227 A228 D233 K234	K226-S230 PolarHBondContact O-N 3.28Å; K226-S230 VanDerWaalsContact O-N 3.16Å; E227-S230 WeakPolarHBondContact O-CB 3.03Å; E227-S230 PolarHBondContact O-N 3.05Å; E227-S230 VanDerWaalsContact O-N 3.13Å; A228-S230 PolarHBondContact O-N 3.4Å; S230-D233 PolarHBondContact O-N 3.11Å; S230-K234 WeakPolarHBondContact O-CG 3.35Å; S230-K234 PolarHBondContact O-N 2.87Å
231	F	98.6	Very high	97.6	Very high	23 Å²	23	64.6 Å²	64.6	10%	0.101	31%	0.308	C	S	.	.	H	α-helix	trans	-75.5	-30.9	178.6	-75.4	-71.7	0	0	0	113.6	Y212 M215 A216 Y219 E227 A228 L229 K234 S235	Y212-F231 AromaticContact CD1-CD1 3.85Å; Y212-F231 HydrophobicContact CD1-CD1 3.85Å; Y212-F231 HydrophobicContact CD1-CE1 4.3Å; Y212-F231 HydrophobicContact CE1-CD1 4.36Å; Y212-F231 HydrophobicContact CE1-CE1 4.43Å; M215-F231 HydrophobicContact CB-CB 4.28Å; M215-F231 HydrophobicContact CB-CD1 4.01Å; M215-F231 HydrophobicContact CB-CE1 4.47Å; M215-F231 HydrophobicContact CB-CG 4.02Å; M215-F231 HydrophobicContact CG-CD1 4.48Å; M215-F231 HydrophobicContact SD-CD1 3.51Å; M215-F231 VanDerWaalsContact SD-CD1 3.51Å; M215-F231 HydrophobicContact SD-CE1 3.38Å; M215-F231 WeakPolarHBondContact SD-CE1 3.41Å; M215-F231 HydrophobicContact SD-CG 4.41Å; M215-F231 HydrophobicContact SD-CZ 4.22Å; A216-F231 HydrophobicContact CB-CB 3.72Å; Y219-F231 AromaticContact CD2-CD2 3.45Å; Y219-F231 HydrophobicContact CD2-CD2 3.45Å; Y219-F231 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F231 AromaticContact CD2-CE2 3.74Å; Y219-F231 HydrophobicContact CD2-CE2 3.74Å; Y219-F231 HydrophobicContact CD2-CG 4.36Å; Y219-F231 AromaticContact CE2-CD2 3.35Å; Y219-F231 HydrophobicContact CE2-CD2 3.35Å; Y219-F231 AromaticContact CE2-CE2 3.1Å; Y219-F231 HydrophobicContact CE2-CE2 3.1Å; Y219-F231 HydrophobicContact CE2-CG 4.37Å; Y219-F231 AromaticContact CE2-CZ 3.95Å; Y219-F231 HydrophobicContact CE2-CZ 3.95Å; Y219-F231 AromaticContact CZ-CE2 3.76Å; E227-F231 VanDerWaalsContact O-CD2 3.25Å; E227-F231 WeakPolarHBondContact O-CD2 3.37Å; E227-F231 PolarHBondContact O-N 2.92Å; A228-F231 PolarHBondContact O-N 3.32Å; L229-F231 VanDerWaalsContact C-N 3.28Å; L229-F231 PolarHBondContact O-N 3.23Å; F231-K234 HydrophobicContact CD1-CD 3.99Å; F231-K234 HydrophobicContact CE1-CD 4.24Å; F231-K234 PolarHBondContact O-N 3.47Å; F231-S235 WeakPolarHBondContact O-CB 3.46Å; F231-S235 PolarHBondContact O-N 3.25Å
232	Y	98.7	Very high	97.6	Very high	3 Å²	3	62.6 Å²	62.6	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-42.2	169.6	-79.5	-51.3	0	0	0	111.8	A216 L217 A228 L229 S235 L236 V244 R247 R248 V251	A216-Y232 HydrophobicContact CB-CD1 3.4Å; A216-Y232 VanDerWaalsContact CB-CD1 3.4Å; A216-Y232 HydrophobicContact CB-CD2 3.75Å; A216-Y232 HydrophobicContact CB-CE1 3.46Å; A216-Y232 VanDerWaalsContact CB-CE1 3.46Å; A216-Y232 HydrophobicContact CB-CE2 3.79Å; A216-Y232 HydrophobicContact CB-CG 3.54Å; L217-Y232 WeakPolarHBondContact CD2-OH 3.49Å; A228-Y232 HydrophobicContact CB-CE2 4.43Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.23Å; L229-Y232 PolarHBondContact O-N 3.42Å; Y232-S235 WeakPolarHBondContact O-CB 3.39Å; Y232-S235 PolarHBondContact O-N 3.06Å; Y232-L236 WeakPolarHBondContact O-CG 3.23Å; Y232-L236 PolarHBondContact O-N 2.71Å; Y232-V244 HydrophobicContact CD1-CG1 3.66Å; Y232-V244 HydrophobicContact CE1-CG1 4.23Å; Y232-R247 HydrophobicContact CE1-CB 3.98Å; Y232-R247 HydrophobicContact CE2-CB 4.48Å; Y232-R248 HydrophobicContact CD2-CB 4.25Å; Y232-R248 HydrophobicContact CG-CB 3.97Å; Y232-R248 HydrophobicContact CG-CG 4.31Å; Y232-V251 HydrophobicContact CD2-CG2 4.45Å; Y232-V251 HydrophobicContact CE2-CB 4.37Å; Y232-V251 HydrophobicContact CE2-CG2 3.78Å
233	D	98.5	Very high	97.6	Very high	71 Å²	71	64 Å²	64	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-44.9	176.1	-73.5	-27.1	0	0	0	111.2	L229 S230 S235 L236 S237 R248	L229-D233 PolarHBondContact O-N 3.44Å; S230-D233 PolarHBondContact O-N 3.11Å; D233-S235 PolarHBondContact O-N 2.89Å; D233-L236 PolarHBondContact O-N 3.44Å; D233-S237 PolarHBondContact O-N 2.89Å; D233-S237 PolarHBondContact O-OG 3.04Å; D233-R248 IonicContact OD1-CZ 2.64Å; D233-R248 IonicContact OD1-NE 3.12Å; D233-R248 PolarHBondContact OD1-NE 2.91Å; D233-R248 IonicContact OD1-NH2 3.7Å; D233-R248 PolarHBondContact OD1-NH2 3.31Å; D233-R248 IonicContact OD2-NH2 3.54Å; D233-R248 PolarHBondContact OD2-NH2 3.39Å
234	K	98.4	Very high	97.6	Very high	81 Å²	81	57.4 Å²	57.4	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-43.3	172.4	-70.6	173.3	-173.8	175.6	0	112.2	Y212 S230 F231 L236 S237 E238	Y212-K234 HydrophobicContact CD1-CB 4.07Å; Y212-K234 HydrophobicContact CD1-CD 4.31Å; Y212-K234 HydrophobicContact CD2-CB 4.01Å; Y212-K234 HydrophobicContact CE1-CB 4.24Å; Y212-K234 HydrophobicContact CE1-CD 3.97Å; Y212-K234 HydrophobicContact CE2-CB 4.17Å; Y212-K234 HydrophobicContact CG-CB 3.95Å; S230-K234 WeakPolarHBondContact O-CG 3.35Å; S230-K234 PolarHBondContact O-N 2.87Å; F231-K234 HydrophobicContact CD1-CD 3.99Å; F231-K234 HydrophobicContact CE1-CD 4.24Å; F231-K234 PolarHBondContact O-N 3.47Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.28Å; K234-S237 WeakPolarHBondContact CA-OG 3.36Å; K234-S237 PolarHBondContact O-N 3.28Å; K234-S237 PolarHBondContact O-OG 3.48Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 2.77Å
235	S	98.5	Very high	97.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-45	176.4	177	0	0	0	0	111.9	G209 F231 Y232 D233 S237 E238 H239	G209-S235 PolarHBondContact O-OG 3.44Å; F231-S235 WeakPolarHBondContact O-CB 3.46Å; F231-S235 PolarHBondContact O-N 3.25Å; Y232-S235 WeakPolarHBondContact O-CB 3.39Å; Y232-S235 PolarHBondContact O-N 3.06Å; D233-S235 PolarHBondContact O-N 2.89Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S235-E238 PolarHBondContact O-N 2.99Å; S235-H239 PolarHBondContact O-N 3.47Å
236	L	98.1	Very high	97.7	Very high	34 Å²	34	60 Å²	60	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-74.4	-23.2	-176.1	-68.2	172.5	0	0	0	112.6	Y232 D233 K234 R240 V244 V245 R248	Y232-L236 WeakPolarHBondContact O-CG 3.23Å; Y232-L236 PolarHBondContact O-N 2.71Å; D233-L236 PolarHBondContact O-N 3.44Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.28Å; L236-R240 HydrophobicContact CD2-CG 4.33Å; L236-V244 HydrophobicContact CD1-CG1 4.45Å; L236-V244 HydrophobicContact CD2-CB 3.89Å; L236-V244 HydrophobicContact CD2-CG1 3.73Å; L236-V244 HydrophobicContact CG-CG1 3.87Å; L236-V245 HydrophobicContact CD1-CG2 4.16Å; L236-V245 HydrophobicContact CD2-CG2 3.58Å; L236-R248 HydrophobicContact CD1-CB 4.31Å; L236-R248 HydrophobicContact CD1-CG 4.4Å
237	S	97.9	Very high	97.7	Very high	90 Å²	90	59.1 Å²	59.1	63%	0.629	29%	0.294	S	S	*	.	H	α-helix	trans	-72.3	-29	169.1	61.5	0	0	0	0	113.1	D233 K234 S235	D233-S237 PolarHBondContact O-N 2.89Å; D233-S237 PolarHBondContact O-OG 3.04Å; K234-S237 WeakPolarHBondContact CA-OG 3.36Å; K234-S237 PolarHBondContact O-N 3.28Å; K234-S237 PolarHBondContact O-OG 3.48Å; S235-S237 VanDerWaalsContact C-N 3.32Å
238	E	96.5	Very high	97.8	Very high	34 Å²	34	57.6 Å²	57.6	16%	0.159	28%	0.284	C	S	.	.	H	α-helix	trans	-76.7	-52.6	172.8	-59.3	-50.2	134.4	0	0	112.3	R199 F205 I208 Y212 K234 S235	R199-E238 IonicContact CZ-OE1 3.07Å; R199-E238 IonicContact CZ-OE2 3.61Å; R199-E238 VanDerWaalsContact CZ-OE2 3.3Å; R199-E238 IonicContact NH1-OE1 2.61Å; R199-E238 IonicContact NH1-OE2 2.72Å; R199-E238 PolarHBondContact NH1-OE2 3.5Å; R199-E238 IonicContact NH2-OE1 3.13Å; R199-E238 PolarHBondContact NH2-OE1 3.47Å; R199-E238 IonicContact NH2-OE2 3.35Å; R199-E238 PolarHBondContact NH2-OE2 2.88Å; F205-E238 WeakPolarHBondContact CB-O 3.44Å; I208-E238 HydrophobicContact CB-CG 4.29Å; I208-E238 HydrophobicContact CG2-CG 3.89Å; Y212-E238 HydrophobicContact CD2-CG 3.75Å; Y212-E238 HydrophobicContact CE2-CG 3.85Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 2.77Å; S235-E238 PolarHBondContact O-N 2.99Å
239	H	95.6	Very high	97.7	Very high	71 Å²	71	62.6 Å²	62.6	33%	0.329	31%	0.307	S	S	.	.			trans	-153.6	118.9	-176.2	-177.8	69.3	0	0	0	110.3	K206 S235 D241	K206-H239 HydrophobicContact CB-CB 4.5Å; S235-H239 PolarHBondContact O-N 3.47Å; H239-D241 PolarHBondContact O-N 3.49Å
240	R	96.5	Very high	97.7	Very high	184 Å²	184	67 Å²	67	69%	0.694	33%	0.327	S	S	*	.			trans	-79.3	82.3	-177	-167.5	173.3	-175.3	-86.8	0.7	111.9	L236 V245	L236-R240 HydrophobicContact CD2-CG 4.33Å; R240-V245 HydrophobicContact CG-CG2 4.2Å
241	D	94.7	Very high	97.7	Very high	47 Å²	47	64.5 Å²	64.5	25%	0.251	31%	0.31	S	S	.	.			trans	-81.2	124.4	174.3	-172.6	-42.8	0	0	0	111.1	H239 D243 V244 V245	H239-D241 PolarHBondContact O-N 3.49Å; D241-D243 VanDerWaalsContact C-N 3.26Å; D241-D243 PolarHBondContact O-N 3.16Å; D241-D243 PolarHBondContact OD1-N 2.99Å; D241-V244 HydrophobicContact CB-CB 4.11Å; D241-V244 HydrophobicContact CB-CG2 3.75Å; D241-V244 PolarHBondContact O-N 3.46Å; D241-V244 VanDerWaalsContact O-N 3.11Å; D241-V245 PolarHBondContact O-N 3.05Å; D241-V245 VanDerWaalsContact O-N 3.08Å
242	P	97.2	Very high	97.7	Very high	86 Å²	86	66 Å²	66	56%	0.558	32%	0.317	S	S	*	.	H	α-helix	trans	-55.5	-33.3	179.3	-26.5	35.1	0	0	0	115.2	V245 K246	P242-V245 PolarHBondContact O-N 2.89Å; P242-K246 WeakPolarHBondContact O-CG 3.37Å; P242-K246 PolarHBondContact O-N 3.32Å
243	D	96.9	Very high	97.7	Very high	86 Å²	86	74.8 Å²	74.8	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-75.1	-31.1	179.8	-72	-22.7	0	0	0	111.6	D241 K246 R247	D241-D243 VanDerWaalsContact C-N 3.26Å; D241-D243 PolarHBondContact O-N 3.16Å; D241-D243 PolarHBondContact OD1-N 2.99Å; D243-K246 IonicContact OD1-NZ 3.46Å; D243-R247 WeakPolarHBondContact O-CG 3.45Å; D243-R247 PolarHBondContact O-N 3.39Å
244	V	98.3	Very high	97.6	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-39.8	173.2	-179.1	0	0	0	0	110.6	A213 Y232 L236 D241 K246 R247 R248	A213-V244 HydrophobicContact CB-CG1 4.48Å; A213-V244 HydrophobicContact CB-CG2 3.87Å; Y232-V244 HydrophobicContact CD1-CG1 3.66Å; Y232-V244 HydrophobicContact CE1-CG1 4.23Å; L236-V244 HydrophobicContact CD1-CG1 4.45Å; L236-V244 HydrophobicContact CD2-CB 3.89Å; L236-V244 HydrophobicContact CD2-CG1 3.73Å; L236-V244 HydrophobicContact CG-CG1 3.87Å; D241-V244 HydrophobicContact CB-CB 4.11Å; D241-V244 HydrophobicContact CB-CG2 3.75Å; D241-V244 PolarHBondContact O-N 3.46Å; D241-V244 VanDerWaalsContact O-N 3.11Å; V244-K246 VanDerWaalsContact C-N 3.34Å; V244-K246 PolarHBondContact O-N 3.08Å; V244-R247 PolarHBondContact O-N 2.99Å; V244-R248 WeakPolarHBondContact O-CB 3.49Å; V244-R248 PolarHBondContact O-N 3.26Å
245	V	98.5	Very high	97.6	Very high	22 Å²	22	70.7 Å²	70.7	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-46.8	175	174.5	0	0	0	0	111.1	L236 R240 D241 P242 R248 Q249	L236-V245 HydrophobicContact CD1-CG2 4.16Å; L236-V245 HydrophobicContact CD2-CG2 3.58Å; R240-V245 HydrophobicContact CG-CG2 4.2Å; D241-V245 PolarHBondContact O-N 3.05Å; D241-V245 VanDerWaalsContact O-N 3.08Å; P242-V245 PolarHBondContact O-N 2.89Å; V245-R248 PolarHBondContact O-N 2.89Å; V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 2.91Å
246	K	98.4	Very high	97.4	Very high	129 Å²	129	76.2 Å²	76.2	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-47.3	179	-70.3	172.3	-174.3	167.9	0	112	P242 D243 V244 Q249 E250	P242-K246 WeakPolarHBondContact O-CG 3.37Å; P242-K246 PolarHBondContact O-N 3.32Å; D243-K246 IonicContact OD1-NZ 3.46Å; V244-K246 VanDerWaalsContact C-N 3.34Å; V244-K246 PolarHBondContact O-N 3.08Å; K246-Q249 PolarHBondContact O-N 3.26Å; K246-E250 PolarHBondContact O-N 2.94Å; K246-E250 VanDerWaalsContact O-N 3.08Å
247	R	98.1	Very high	97.2	Very high	103 Å²	103	79.1 Å²	79.1	39%	0.389	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-42	178.7	-70.3	171.2	178.7	144.6	4.1	112.3	Y232 D243 V244 Q249 E250 V251	Y232-R247 HydrophobicContact CE1-CB 3.98Å; Y232-R247 HydrophobicContact CE2-CB 4.48Å; D243-R247 WeakPolarHBondContact O-CG 3.45Å; D243-R247 PolarHBondContact O-N 3.39Å; V244-R247 PolarHBondContact O-N 2.99Å; R247-Q249 VanDerWaalsContact C-N 3.33Å; R247-Q249 PolarHBondContact O-N 3.27Å; R247-E250 WeakPolarHBondContact O-CB 3.4Å; R247-E250 PolarHBondContact O-N 3Å; R247-V251 PolarHBondContact O-N 3.4Å
248	R	98.4	Very high	97	Very high	58 Å²	58	79.3 Å²	79.3	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-57.9	-45.3	174.4	-175	-137.9	-175.8	-101.9	-4.4	111.6	L229 Y232 D233 L236 V244 V245 E250 V251 E252	L229-R248 HydrophobicContact CD2-CG 4.09Å; Y232-R248 HydrophobicContact CD2-CB 4.25Å; Y232-R248 HydrophobicContact CG-CB 3.97Å; Y232-R248 HydrophobicContact CG-CG 4.31Å; D233-R248 IonicContact OD1-CZ 2.64Å; D233-R248 IonicContact OD1-NE 3.12Å; D233-R248 PolarHBondContact OD1-NE 2.91Å; D233-R248 IonicContact OD1-NH2 3.7Å; D233-R248 PolarHBondContact OD1-NH2 3.31Å; D233-R248 IonicContact OD2-NH2 3.54Å; D233-R248 PolarHBondContact OD2-NH2 3.39Å; L236-R248 HydrophobicContact CD1-CB 4.31Å; L236-R248 HydrophobicContact CD1-CG 4.4Å; V244-R248 WeakPolarHBondContact O-CB 3.49Å; V244-R248 PolarHBondContact O-N 3.26Å; V245-R248 PolarHBondContact O-N 2.89Å; R248-E250 VanDerWaalsContact C-N 3.32Å; R248-E250 PolarHBondContact O-N 3.37Å; R248-V251 PolarHBondContact O-N 3.31Å; R248-E252 IonicContact NH1-OE2 3.74Å; R248-E252 PolarHBondContact NH1-OE2 3.17Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 PolarHBondContact O-N 3.15Å
249	Q	98.4	Very high	96.8	Very high	104 Å²	104	82.2 Å²	82.2	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-36.9	178	-72.8	173.9	-20.8	0	0	112.5	V245 K246 R247 E252 R253	V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 2.91Å; K246-Q249 PolarHBondContact O-N 3.26Å; R247-Q249 VanDerWaalsContact C-N 3.33Å; R247-Q249 PolarHBondContact O-N 3.27Å; Q249-E252 PolarHBondContact O-N 3.42Å; Q249-R253 WeakPolarHBondContact O-CG 3.42Å; Q249-R253 PolarHBondContact O-N 3.01Å; Q249-R253 VanDerWaalsContact O-N 3.15Å
250	E	98	Very high	96.5	Very high	118 Å²	118	83.8 Å²	83.8	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-49	174.2	-177	176.2	-171.2	0	0	111.4	K246 R247 R248 E252 R253 I254	K246-E250 PolarHBondContact O-N 2.94Å; K246-E250 VanDerWaalsContact O-N 3.08Å; R247-E250 WeakPolarHBondContact O-CB 3.4Å; R247-E250 PolarHBondContact O-N 3Å; R248-E250 VanDerWaalsContact C-N 3.32Å; R248-E250 PolarHBondContact O-N 3.37Å; E250-E252 VanDerWaalsContact C-N 3.33Å; E250-E252 PolarHBondContact O-N 3.44Å; E250-R253 WeakPolarHBondContact O-CB 3.36Å; E250-R253 PolarHBondContact O-N 3.28Å; E250-I254 PolarHBondContact O-N 3.23Å
251	V	98.3	Very high	96.3	Very high	3 Å²	3	78.3 Å²	78.3	2%	0.018	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-37.8	176.8	177.2	0	0	0	0	111.8	T220 F225 A228 L229 Y232 R247 R248 R253 I254 V255	T220-V251 HydrophobicContact CG2-CG2 3.83Å; F225-V251 HydrophobicContact CB-CG1 3.9Å; F225-V251 HydrophobicContact CD1-CG1 4.01Å; F225-V251 HydrophobicContact CG-CG1 4.42Å; F225-V251 WeakPolarHBondContact O-CG1 3.2Å; A228-V251 HydrophobicContact CB-CG1 4.17Å; L229-V251 HydrophobicContact CD2-CB 4.08Å; L229-V251 HydrophobicContact CD2-CG1 3.89Å; L229-V251 HydrophobicContact CG-CG1 3.81Å; Y232-V251 HydrophobicContact CD2-CG2 4.45Å; Y232-V251 HydrophobicContact CE2-CB 4.37Å; Y232-V251 HydrophobicContact CE2-CG2 3.78Å; R247-V251 PolarHBondContact O-N 3.4Å; R248-V251 PolarHBondContact O-N 3.31Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 3.08Å; V251-I254 WeakPolarHBondContact O-CB 3.31Å; V251-I254 PolarHBondContact O-N 3.34Å; V251-I254 VanDerWaalsContact O-N 3.1Å; V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 PolarHBondContact O-N 2.72Å
252	E	98.4	Very high	96.2	Very high	53 Å²	53	80.1 Å²	80.1	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-60.7	-39.4	177.2	-175.8	-178	-178.7	0	0	111.8	L229 R248 Q249 E250 I254 V255 K256	L229-E252 HydrophobicContact CD2-CB 4Å; R248-E252 IonicContact NH1-OE2 3.74Å; R248-E252 PolarHBondContact NH1-OE2 3.17Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 PolarHBondContact O-N 3.15Å; Q249-E252 PolarHBondContact O-N 3.42Å; E250-E252 VanDerWaalsContact C-N 3.33Å; E250-E252 PolarHBondContact O-N 3.44Å; E252-I254 VanDerWaalsContact C-N 3.35Å; E252-V255 PolarHBondContact O-N 2.99Å; E252-K256 HydrophobicContact CG-CD 4.29Å; E252-K256 WeakPolarHBondContact O-CB 3.38Å; E252-K256 WeakPolarHBondContact O-CG 3.34Å; E252-K256 PolarHBondContact O-N 3.21Å; E252-K256 VanDerWaalsContact OE1-CE 3.23Å; E252-K256 WeakPolarHBondContact OE1-CE 3.39Å; E252-K256 IonicContact OE1-NZ 3.81Å; E252-K256 PolarHBondContact OE1-NZ 3.01Å
253	R	98.1	Very high	96	Very high	189 Å²	189	78.8 Å²	78.8	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-62.6	-41.7	174	-76.4	170.4	40.2	-169.6	-13.2	112	Q249 E250 V251 K256 E257	Q249-R253 WeakPolarHBondContact O-CG 3.42Å; Q249-R253 PolarHBondContact O-N 3.01Å; Q249-R253 VanDerWaalsContact O-N 3.15Å; E250-R253 WeakPolarHBondContact O-CB 3.36Å; E250-R253 PolarHBondContact O-N 3.28Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 3.08Å; R253-K256 PolarHBondContact O-N 3.03Å; R253-E257 PolarHBondContact O-N 3.05Å
254	I	97.2	Very high	95.9	Very high	57 Å²	57	78.5 Å²	78.5	29%	0.292	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-48.6	178.4	-63.1	169.5	0	0	0	110	F225 E250 V251 E252 K256 E257 Q258	F225-I254 HydrophobicContact CD1-CD1 4.33Å; F225-I254 HydrophobicContact CD1-CG2 4.14Å; F225-I254 HydrophobicContact CD2-CG2 3.66Å; F225-I254 HydrophobicContact CE1-CD1 3.89Å; F225-I254 HydrophobicContact CE1-CG2 4.09Å; F225-I254 HydrophobicContact CE2-CG2 3.62Å; F225-I254 HydrophobicContact CG-CG2 3.93Å; F225-I254 HydrophobicContact CZ-CD1 4.3Å; F225-I254 HydrophobicContact CZ-CG2 3.83Å; E250-I254 PolarHBondContact O-N 3.23Å; V251-I254 WeakPolarHBondContact O-CB 3.31Å; V251-I254 PolarHBondContact O-N 3.34Å; V251-I254 VanDerWaalsContact O-N 3.1Å; E252-I254 VanDerWaalsContact C-N 3.35Å; I254-K256 PolarHBondContact O-N 3.1Å; I254-E257 PolarHBondContact O-N 3.39Å; I254-Q258 HydrophobicContact CG2-CG 4.41Å; I254-Q258 WeakPolarHBondContact O-CG 3.24Å; I254-Q258 PolarHBondContact O-N 3.46Å
255	V	96.9	Very high	95.9	Very high	9 Å²	9	80.6 Å²	80.6	6%	0.055	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-45.8	178.2	175.2	0	0	0	0	111.1	F225 K226 L229 V251 E252 E257 Q258 E259	F225-V255 HydrophobicContact CB-CG2 3.45Å; F225-V255 VanDerWaalsContact CB-CG2 3.45Å; K226-V255 HydrophobicContact CG-CG1 4.25Å; K226-V255 HydrophobicContact CG-CG2 4.44Å; L229-V255 HydrophobicContact CD1-CB 4.03Å; L229-V255 HydrophobicContact CD1-CG1 4.3Å; L229-V255 HydrophobicContact CD1-CG2 3.68Å; L229-V255 HydrophobicContact CG-CG2 4.35Å; V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 PolarHBondContact O-N 2.72Å; E252-V255 PolarHBondContact O-N 2.99Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.1Å; V255-Q258 PolarHBondContact O-N 3.31Å; V255-E259 HydrophobicContact CG1-CG 4.22Å; V255-E259 WeakPolarHBondContact O-CB 3.47Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 2.81Å
256	K	95.7	Very high	95.8	Very high	116 Å²	116	83.5 Å²	83.5	50%	0.504	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-41.1	177.8	-76.6	177.2	-176.8	169.7	0	112.5	E252 R253 I254 K260	E252-K256 HydrophobicContact CG-CD 4.29Å; E252-K256 WeakPolarHBondContact O-CB 3.38Å; E252-K256 WeakPolarHBondContact O-CG 3.34Å; E252-K256 PolarHBondContact O-N 3.21Å; E252-K256 VanDerWaalsContact OE1-CE 3.23Å; E252-K256 WeakPolarHBondContact OE1-CE 3.39Å; E252-K256 IonicContact OE1-NZ 3.81Å; E252-K256 PolarHBondContact OE1-NZ 3.01Å; R253-K256 PolarHBondContact O-N 3.03Å; I254-K256 PolarHBondContact O-N 3.1Å; K256-K260 WeakPolarHBondContact O-CB 3.39Å; K256-K260 PolarHBondContact O-N 3.26Å
257	E	93.5	Very high	95.7	Very high	96 Å²	96	85 Å²	85	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-71.4	-38.3	178.4	-166.9	60.4	-155.9	0	0	112.1	R253 I254 V255 K260 T261	R253-E257 PolarHBondContact O-N 3.05Å; I254-E257 PolarHBondContact O-N 3.39Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.1Å; E257-K260 PolarHBondContact O-N 3.38Å; E257-K260 IonicContact OE1-NZ 2.68Å; E257-K260 IonicContact OE2-NZ 3.92Å; E257-T261 WeakPolarHBondContact O-CB 3.48Å; E257-T261 PolarHBondContact O-N 3.41Å; E257-T261 PolarHBondContact O-OG1 3.47Å
258	Q	93.4	Very high	95.7	Very high	94 Å²	94	84.1 Å²	84.1	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-45.8	172.9	-75.8	-177.6	-16.9	0	0	111.6	I254 V255 T261 A262	I254-Q258 HydrophobicContact CG2-CG 4.41Å; I254-Q258 WeakPolarHBondContact O-CG 3.24Å; I254-Q258 PolarHBondContact O-N 3.46Å; V255-Q258 PolarHBondContact O-N 3.31Å; Q258-T261 PolarHBondContact O-N 3.05Å; Q258-A262 WeakPolarHBondContact O-CB 3.36Å; Q258-A262 PolarHBondContact O-N 2.72Å
259	E	92.7	Very high	95.7	Very high	95 Å²	95	81.4 Å²	81.4	44%	0.444	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-41.1	177.8	-72.4	-178.6	159.4	0	0	111.8	K226 V255 Y263	K226-E259 WeakPolarHBondContact CE-OE1 3.45Å; K226-E259 IonicContact NZ-OE1 2.69Å; K226-E259 PolarHBondContact NZ-OE1 3.36Å; V255-E259 HydrophobicContact CG1-CG 4.22Å; V255-E259 WeakPolarHBondContact O-CB 3.47Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 2.81Å; E259-Y263 WeakPolarHBondContact O-CB 3.45Å; E259-Y263 PolarHBondContact O-N 2.94Å
260	K	90.1	Very high	95.6	Very high	103 Å²	103	80.3 Å²	80.3	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.5	-176	-167	-179.6	-154.6	0	111.2	K256 E257 Y263 Y264	K256-K260 WeakPolarHBondContact O-CB 3.39Å; K256-K260 PolarHBondContact O-N 3.26Å; E257-K260 PolarHBondContact O-N 3.38Å; E257-K260 IonicContact OE1-NZ 2.68Å; E257-K260 IonicContact OE2-NZ 3.92Å; K260-Y263 VanDerWaalsContact O-CB 3.24Å; K260-Y263 WeakPolarHBondContact O-CB 3.48Å; K260-Y263 PolarHBondContact O-N 3.14Å; K260-Y264 VanDerWaalsContact CE-OH 3.26Å; K260-Y264 WeakPolarHBondContact CE-OH 3.38Å; K260-Y264 HydrophobicContact CG-CE1 3.98Å; K260-Y264 WeakPolarHBondContact O-CD1 3.47Å; K260-Y264 WeakPolarHBondContact O-CE1 3.3Å
261	T	91.2	Very high	95.6	Very high	70 Å²	70	76.5 Å²	76.5	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-41.1	-179.7	-54.3	0	0	0	0	111.5	E257 Q258 Y263 Y264	E257-T261 WeakPolarHBondContact O-CB 3.48Å; E257-T261 PolarHBondContact O-N 3.41Å; E257-T261 PolarHBondContact O-OG1 3.47Å; Q258-T261 PolarHBondContact O-N 3.05Å; T261-Y263 PolarHBondContact O-N 2.9Å; T261-Y264 HydrophobicContact CG2-CD2 4.26Å; T261-Y264 HydrophobicContact CG2-CE2 4.45Å; T261-Y264 VanDerWaalsContact O-CB 3.26Å; T261-Y264 WeakPolarHBondContact O-CB 3.47Å; T261-Y264 PolarHBondContact O-N 3.01Å
262	A	92.9	Very high	95.7	Very high	85 Å²	85	78 Å²	78	70%	0.702	39%	0.389	S	S	*	.	H	α-helix	trans	-65.1	-21.8	174.5	0	0	0	0	0	112.7	Q258 Y264	Q258-A262 WeakPolarHBondContact O-CB 3.36Å; Q258-A262 PolarHBondContact O-N 2.72Å; A262-Y264 VanDerWaalsContact C-N 3.25Å
263	Y	93.4	Very high	95.7	Very high	57 Å²	57	77.3 Å²	77.3	22%	0.224	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.6	173.3	-155.1	-105.5	0	0	0	112.5	E259 K260 T261 N265 E294 R297 R298	E259-Y263 WeakPolarHBondContact O-CB 3.45Å; E259-Y263 PolarHBondContact O-N 2.94Å; K260-Y263 VanDerWaalsContact O-CB 3.24Å; K260-Y263 WeakPolarHBondContact O-CB 3.48Å; K260-Y263 PolarHBondContact O-N 3.14Å; T261-Y263 PolarHBondContact O-N 2.9Å; Y263-N265 PolarHBondContact O-N 2.94Å; Y263-E294 WeakPolarHBondContact CE1-OE1 3.33Å; Y263-E294 VanDerWaalsContact CZ-OE1 3.28Å; Y263-E294 PolarHBondContact OH-OE1 2.96Å; Y263-E294 PolarHBondContact OH-OE2 3.33Å; Y263-R297 HydrophobicContact CD1-CB 3.82Å; Y263-R297 HydrophobicContact CE1-CB 3.62Å; Y263-R297 HydrophobicContact CE1-CG 4.49Å; Y263-R298 HydrophobicContact CD1-CG 4.33Å; Y263-R298 VanDerWaalsContact CE1-CD 3.45Å; Y263-R298 HydrophobicContact CE1-CG 4.06Å; Y263-R298 VanDerWaalsContact CE2-NH2 3.25Å; Y263-R298 VanDerWaalsContact CZ-NE 3.34Å; Y263-R298 WeakPolarHBondContact O-CD 3.22Å; Y263-R298 PolarHBondContact O-NH1 3.13Å; Y263-R298 VanDerWaalsContact O-NH1 3.1Å; Y263-R298 PolarHBondContact OH-NH2 3.24Å; Y263-R298 VanDerWaalsContact OH-NH2 3.07Å
264	Y	95.1	Very high	95.7	Very high	81 Å²	81	73.2 Å²	73.2	32%	0.318	37%	0.374	S	S	.	.			trans	-66.9	125.2	-176.6	-63.1	-10.6	0	0	0	111.4	K260 T261 A262 R297 R298 P300	K260-Y264 VanDerWaalsContact CE-OH 3.26Å; K260-Y264 WeakPolarHBondContact CE-OH 3.38Å; K260-Y264 HydrophobicContact CG-CE1 3.98Å; K260-Y264 WeakPolarHBondContact O-CD1 3.47Å; K260-Y264 WeakPolarHBondContact O-CE1 3.3Å; T261-Y264 HydrophobicContact CG2-CD2 4.26Å; T261-Y264 HydrophobicContact CG2-CE2 4.45Å; T261-Y264 VanDerWaalsContact O-CB 3.26Å; T261-Y264 WeakPolarHBondContact O-CB 3.47Å; T261-Y264 PolarHBondContact O-N 3.01Å; A262-Y264 VanDerWaalsContact C-N 3.25Å; Y264-R297 WeakPolarHBondContact CD1-O 3.28Å; Y264-R298 CarbonylContact C-O 3.46Å; Y264-R298 WeakPolarHBondContact CA-O 3.43Å; Y264-P300 HydrophobicContact CD1-CG 4.21Å; Y264-P300 HydrophobicContact CE1-CG 3.46Å; Y264-P300 VanDerWaalsContact CE1-CG 3.46Å; Y264-P300 HydrophobicContact CE2-CG 4.08Å; Y264-P300 WeakPolarHBondContact OH-CG 3.41Å
265	N	96.7	Very high	95.8	Very high	51 Å²	51	74.9 Å²	74.9	27%	0.273	38%	0.379	S	S	.	.			trans	-154.9	97.2	177.6	-174.4	-40.3	0	0	0	108.2	Y263 E267 L268 S269 R298	Y263-N265 PolarHBondContact O-N 2.94Å; N265-E267 PolarHBondContact O-N 2.99Å; N265-E267 WeakPolarHBondContact OD1-CB 3.41Å; N265-E267 PolarHBondContact OD1-N 3.07Å; N265-E267 VanDerWaalsContact OD1-N 3.12Å; N265-L268 HydrophobicContact CB-CB 4.08Å; N265-L268 HydrophobicContact CB-CD1 4.13Å; N265-L268 HydrophobicContact CB-CG 4.27Å; N265-L268 PolarHBondContact O-N 3.16Å; N265-L268 PolarHBondContact OD1-N 2.72Å; N265-S269 WeakPolarHBondContact O-CB 3.26Å; N265-S269 PolarHBondContact O-N 2.86Å; N265-R298 PolarHBondContact N-O 3.25Å
266	P	96.1	Very high	95.8	Very high	82 Å²	82	74.4 Å²	74.4	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-30.1	-179.2	-27.8	36.5	0	0	0	114.3	S269 L270	P266-S269 WeakPolarHBondContact O-CB 3.29Å; P266-S269 PolarHBondContact O-N 3.12Å; P266-L270 WeakPolarHBondContact O-CB 3.35Å; P266-L270 PolarHBondContact O-N 3.47Å
267	E	97.1	Very high	96	Very high	162 Å²	162	71.4 Å²	71.4	76%	0.757	37%	0.366	S	S	*	.	H	α-helix	trans	-70.5	-48	178.4	-61.7	178.4	177.6	0	0	111.3	N265 S269 L270 A271	N265-E267 PolarHBondContact O-N 2.99Å; N265-E267 WeakPolarHBondContact OD1-CB 3.41Å; N265-E267 PolarHBondContact OD1-N 3.07Å; N265-E267 VanDerWaalsContact OD1-N 3.12Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 3.31Å; E267-L270 WeakPolarHBondContact O-CB 3.46Å; E267-L270 PolarHBondContact O-N 3.22Å; E267-A271 PolarHBondContact O-N 3.09Å
268	L	97.4	Very high	96.2	Very high	84 Å²	84	72.3 Å²	72.3	44%	0.44	37%	0.37	S	S	.	.	H	α-helix	trans	-65	-35.4	173.6	-68.7	179.6	0	0	0	111.5	N265 L270 A271 E272	N265-L268 HydrophobicContact CB-CB 4.08Å; N265-L268 HydrophobicContact CB-CD1 4.13Å; N265-L268 HydrophobicContact CB-CG 4.27Å; N265-L268 PolarHBondContact O-N 3.16Å; N265-L268 PolarHBondContact OD1-N 2.72Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.3Å; L268-A271 PolarHBondContact O-N 3.33Å; L268-E272 WeakPolarHBondContact O-CG 3.27Å; L268-E272 PolarHBondContact O-N 3.24Å
269	S	98.3	Very high	96.5	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.007	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-45	172.2	-177	0	0	0	0	111.7	N265 P266 E267 A271 E272 K273 A295 N299	N265-S269 WeakPolarHBondContact O-CB 3.26Å; N265-S269 PolarHBondContact O-N 2.86Å; P266-S269 WeakPolarHBondContact O-CB 3.29Å; P266-S269 PolarHBondContact O-N 3.12Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 3.31Å; S269-A271 PolarHBondContact O-N 3.06Å; S269-E272 PolarHBondContact O-N 3.28Å; S269-K273 WeakPolarHBondContact O-CB 3.47Å; S269-K273 PolarHBondContact O-N 3Å; S269-A295 WeakPolarHBondContact O-CB 3.48Å; S269-A295 PolarHBondContact OG-O 3.02Å; S269-N299 VanDerWaalsContact CB-CB 3.49Å; S269-N299 WeakPolarHBondContact OG-CB 3.28Å
270	L	97.9	Very high	96.7	Very high	81 Å²	81	66.3 Å²	66.3	42%	0.424	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-41.7	177.5	179.8	59.7	0	0	0	111.8	P266 E267 L268 K273 Q274	P266-L270 WeakPolarHBondContact O-CB 3.35Å; P266-L270 PolarHBondContact O-N 3.47Å; E267-L270 WeakPolarHBondContact O-CB 3.46Å; E267-L270 PolarHBondContact O-N 3.22Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.3Å; L270-K273 VanDerWaalsContact CD1-CE 3.45Å; L270-K273 WeakPolarHBondContact O-CB 3.19Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-Q274 WeakPolarHBondContact O-CG 3.35Å; L270-Q274 PolarHBondContact O-N 3.12Å
271	A	98.2	Very high	97.1	Very high	37 Å²	37	69.9 Å²	69.9	31%	0.306	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-44.3	176.2	0	0	0	0	0	112	E267 L268 S269 Q274 K275	E267-A271 PolarHBondContact O-N 3.09Å; L268-A271 PolarHBondContact O-N 3.33Å; S269-A271 PolarHBondContact O-N 3.06Å; A271-Q274 PolarHBondContact O-N 3.33Å; A271-K275 PolarHBondContact O-N 2.95Å
272	E	98.6	Very high	97.5	Very high	35 Å²	35	72.2 Å²	72.2	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-37.7	175.6	-70.8	-61.8	136.4	0	0	112	L268 S269 Q274 K275 G276 H291 E294 A295	L268-E272 WeakPolarHBondContact O-CG 3.27Å; L268-E272 PolarHBondContact O-N 3.24Å; S269-E272 PolarHBondContact O-N 3.28Å; E272-Q274 VanDerWaalsContact C-N 3.28Å; E272-Q274 PolarHBondContact O-N 3.1Å; E272-K275 PolarHBondContact O-N 3.44Å; E272-K275 IonicContact OE1-NZ 3.1Å; E272-K275 PolarHBondContact OE1-NZ 2.88Å; E272-G276 PolarHBondContact O-N 2.78Å; E272-H291 IonicContact OE2-CE1 2.86Å; E272-H291 IonicContact OE2-CG 3.54Å; E272-H291 IonicContact OE2-ND1 2.66Å; E272-H291 PolarHBondContact OE2-ND1 3.11Å; E272-E294 HydrophobicContact CG-CB 4.42Å; E272-E294 HydrophobicContact CG-CG 3.81Å; E272-A295 HydrophobicContact CB-CB 3.91Å
273	K	98.5	Very high	97.7	Very high	38 Å²	38	69.9 Å²	69.9	17%	0.165	35%	0.347	C	S	.	.	H	α-helix	trans	-57.6	-41	171.8	-177.2	174.7	64.7	-172.1	0	111.7	S269 L270 G276 N277 Y292 A295 D302 L305	S269-K273 WeakPolarHBondContact O-CB 3.47Å; S269-K273 PolarHBondContact O-N 3Å; L270-K273 VanDerWaalsContact CD1-CE 3.45Å; L270-K273 WeakPolarHBondContact O-CB 3.19Å; L270-K273 PolarHBondContact O-N 2.9Å; K273-G276 PolarHBondContact O-N 3.2Å; K273-N277 PolarHBondContact O-N 3.46Å; K273-N277 PolarHBondContact O-ND2 2.68Å; K273-N277 PolarHBondContact O-OD1 2.93Å; K273-Y292 HydrophobicContact CG-CE1 4.37Å; K273-A295 HydrophobicContact CB-CB 4.42Å; K273-D302 IonicContact NZ-OD2 3.5Å; K273-D302 PolarHBondContact NZ-OD2 3.19Å; K273-L305 HydrophobicContact CB-CD2 3.74Å; K273-L305 HydrophobicContact CD-CD2 3.54Å; K273-L305 HydrophobicContact CG-CD2 3.69Å
274	Q	98.6	Very high	98	Very high	104 Å²	104	72.2 Å²	72.2	49%	0.486	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-45.9	178.4	-73.7	171.4	-9.2	0	0	111.7	L270 A271 E272 G276 N277 E278	L270-Q274 WeakPolarHBondContact O-CG 3.35Å; L270-Q274 PolarHBondContact O-N 3.12Å; A271-Q274 PolarHBondContact O-N 3.33Å; E272-Q274 VanDerWaalsContact C-N 3.28Å; E272-Q274 PolarHBondContact O-N 3.1Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.12Å; Q274-N277 WeakPolarHBondContact O-CB 3.5Å; Q274-N277 PolarHBondContact O-N 2.7Å; Q274-N277 VanDerWaalsContact O-N 3.14Å; Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 2.98Å
275	K	98.6	Very high	98.1	Very high	91 Å²	91	70.9 Å²	70.9	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-58.7	-43.7	173.3	-63.1	175.2	-171.4	170.3	0	111.8	A271 E272 N277 E278 C279 H291	A271-K275 PolarHBondContact O-N 2.95Å; E272-K275 PolarHBondContact O-N 3.44Å; E272-K275 IonicContact OE1-NZ 3.1Å; E272-K275 PolarHBondContact OE1-NZ 2.88Å; K275-N277 VanDerWaalsContact C-N 3.33Å; K275-N277 PolarHBondContact O-N 3.08Å; K275-E278 WeakPolarHBondContact O-CB 3.39Å; K275-E278 PolarHBondContact O-N 3.09Å; K275-C279 PolarHBondContact O-N 3.26Å; K275-C279 PolarHBondContact O-SG 3.37Å; K275-H291 HydrophobicContact CB-CB 4.37Å
276	G	98.7	Very high	98.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-41.1	175.1	0	0	0	0	0	112.8	E272 K273 Q274 F280 A288 Y292	E272-G276 PolarHBondContact O-N 2.78Å; K273-G276 PolarHBondContact O-N 3.2Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.12Å; G276-F280 WeakPolarHBondContact O-CB 3.43Å; G276-F280 PolarHBondContact O-N 3.11Å; G276-A288 WeakPolarHBondContact O-CB 3.44Å; G276-Y292 VanDerWaalsContact C-CZ 3.45Å; G276-Y292 VanDerWaalsContact C-OH 3.29Å; G276-Y292 PolarHBondContact O-OH 2.93Å
277	N	98.5	Very high	98.3	Very high	52 Å²	52	70.9 Å²	70.9	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-37.6	175.7	-67.7	-23.2	0	0	0	112.1	K273 Q274 K275 K281 Y292 N308	K273-N277 PolarHBondContact O-N 3.46Å; K273-N277 PolarHBondContact O-ND2 2.68Å; K273-N277 PolarHBondContact O-OD1 2.93Å; Q274-N277 WeakPolarHBondContact O-CB 3.5Å; Q274-N277 PolarHBondContact O-N 2.7Å; Q274-N277 VanDerWaalsContact O-N 3.14Å; K275-N277 VanDerWaalsContact C-N 3.33Å; K275-N277 PolarHBondContact O-N 3.08Å; N277-K281 VanDerWaalsContact O-CG 3.31Å; N277-K281 WeakPolarHBondContact O-CG 3.48Å; N277-K281 PolarHBondContact O-N 2.95Å; N277-Y292 WeakPolarHBondContact CA-OH 3.44Å; N277-Y292 PolarHBondContact N-OH 3.01Å; N277-Y292 PolarHBondContact OD1-OH 3.3Å; N277-N308 PolarHBondContact OD1-ND2 3.31Å; N277-N308 VanDerWaalsContact OD1-ND2 3.15Å
278	E	98.6	Very high	98.4	Very high	116 Å²	116	63.1 Å²	63.1	54%	0.542	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-51.9	175.7	-71.7	169.4	-174.2	0	0	111.1	Q274 K275 F280 K281 E282	Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 2.98Å; K275-E278 WeakPolarHBondContact O-CB 3.39Å; K275-E278 PolarHBondContact O-N 3.09Å; E278-F280 VanDerWaalsContact C-N 3.25Å; E278-F280 PolarHBondContact O-N 3.37Å; E278-K281 PolarHBondContact O-N 3.04Å; E278-K281 VanDerWaalsContact O-N 3.1Å; E278-E282 WeakPolarHBondContact O-CG 3.2Å; E278-E282 PolarHBondContact O-N 2.88Å; E278-E282 VanDerWaalsContact O-N 3.1Å
279	C	98.5	Very high	98.5	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-39.7	175.1	-67.3	0	0	0	0	112	K275 E282 G283 R284 E287 A288	K275-C279 PolarHBondContact O-N 3.26Å; K275-C279 PolarHBondContact O-SG 3.37Å; C279-E282 PolarHBondContact O-N 3.27Å; C279-G283 PolarHBondContact O-N 3.49Å; C279-R284 HydrophobicContact CB-CB 4.18Å; C279-R284 WeakPolarHBondContact O-CA 3.42Å; C279-R284 PolarHBondContact O-N 3.49Å; C279-E287 HydrophobicContact CB-CB 4.26Å; C279-A288 HydrophobicContact CB-CB 3.8Å
280	F	98.6	Very high	98.5	Very high	57 Å²	57	66.5 Å²	66.5	25%	0.25	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-44.6	176.3	-174.8	-86.9	0	0	0	112.3	G276 E278 E282 G283 Y285 A288 A311 K315	G276-F280 WeakPolarHBondContact O-CB 3.43Å; G276-F280 PolarHBondContact O-N 3.11Å; E278-F280 VanDerWaalsContact C-N 3.25Å; E278-F280 PolarHBondContact O-N 3.37Å; F280-E282 PolarHBondContact O-N 3.35Å; F280-G283 PolarHBondContact O-N 2.98Å; F280-Y285 AromaticContact CD2-CD1 3.85Å; F280-Y285 HydrophobicContact CD2-CD1 3.85Å; F280-Y285 AromaticContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CE2-CD1 4.01Å; F280-Y285 AromaticContact CE2-CE1 3.82Å; F280-Y285 HydrophobicContact CE2-CE1 3.82Å; F280-Y285 HydrophobicContact CG-CE1 4.49Å; F280-Y285 HydrophobicContact CZ-CE1 4.31Å; F280-A288 HydrophobicContact CB-CB 4.25Å; F280-A311 HydrophobicContact CE2-CB 3.8Å; F280-A311 HydrophobicContact CZ-CB 4.11Å; F280-K315 HydrophobicContact CE2-CG 4.45Å
281	K	98.3	Very high	98.5	Very high	178 Å²	178	64.8 Å²	64.8	77%	0.774	32%	0.315	S	S	*	.	H	α-helix	trans	-62.3	-32.1	177.5	-74.4	172.3	-176	177.9	0	112.3	N277 E278 G283	N277-K281 VanDerWaalsContact O-CG 3.31Å; N277-K281 WeakPolarHBondContact O-CG 3.48Å; N277-K281 PolarHBondContact O-N 2.95Å; E278-K281 PolarHBondContact O-N 3.04Å; E278-K281 VanDerWaalsContact O-N 3.1Å; K281-G283 VanDerWaalsContact C-N 3.28Å
282	E	98.2	Very high	98.5	Very high	119 Å²	119	63.2 Å²	63.2	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1	176.8	-66.1	173.7	-179.3	0	0	113.5	E278 C279 F280 R284	E278-E282 WeakPolarHBondContact O-CG 3.2Å; E278-E282 PolarHBondContact O-N 2.88Å; E278-E282 VanDerWaalsContact O-N 3.1Å; C279-E282 PolarHBondContact O-N 3.27Å; F280-E282 PolarHBondContact O-N 3.35Å; E282-R284 HydrophobicContact CB-CG 4.28Å; E282-R284 PolarHBondContact O-N 3.3Å; E282-R284 IonicContact OE2-CZ 2.78Å; E282-R284 IonicContact OE2-NE 3.22Å; E282-R284 PolarHBondContact OE2-NE 2.94Å; E282-R284 IonicContact OE2-NH2 2.72Å; E282-R284 PolarHBondContact OE2-NH2 3.42Å
283	G	97.9	Very high	98.5	Very high	35 Å²	35	63.8 Å²	63.8	36%	0.361	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	8.7	-176.9	0	0	0	0	0	114.5	C279 F280 K281 Y285	C279-G283 PolarHBondContact O-N 3.49Å; F280-G283 PolarHBondContact O-N 2.98Å; K281-G283 VanDerWaalsContact C-N 3.28Å; G283-Y285 VanDerWaalsContact C-N 3.29Å; G283-Y285 WeakPolarHBondContact O-CD2 3.48Å; G283-Y285 WeakPolarHBondContact O-CE2 3.44Å; G283-Y285 PolarHBondContact O-N 3.5Å
284	R	98.6	Very high	98.5	Very high	106 Å²	106	64.1 Å²	64.1	40%	0.4	31%	0.309	S	S	.	.			trans	-83.7	68.3	176.9	-64.3	-165.4	-66.9	143	-3.6	110.8	C279 E282 E287 A288	C279-R284 HydrophobicContact CB-CB 4.18Å; C279-R284 WeakPolarHBondContact O-CA 3.42Å; C279-R284 PolarHBondContact O-N 3.49Å; E282-R284 HydrophobicContact CB-CG 4.28Å; E282-R284 PolarHBondContact O-N 3.3Å; E282-R284 IonicContact OE2-CZ 2.78Å; E282-R284 IonicContact OE2-NE 3.22Å; E282-R284 PolarHBondContact OE2-NE 2.94Å; E282-R284 IonicContact OE2-NH2 2.72Å; E282-R284 PolarHBondContact OE2-NH2 3.42Å; R284-E287 HydrophobicContact CB-CB 4.43Å; R284-E287 IonicContact NH1-OE1 2.75Å; R284-E287 PolarHBondContact O-N 3.22Å; R284-A288 WeakPolarHBondContact O-CB 3.25Å; R284-A288 PolarHBondContact O-N 3.03Å
285	Y	98.5	Very high	98.5	Very high	53 Å²	53	59.1 Å²	59.1	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-40.6	-172.5	-52.3	-62	0	0	0	114.8	F280 G283 E287 A288 I289 K315 L316	F280-Y285 AromaticContact CD2-CD1 3.85Å; F280-Y285 HydrophobicContact CD2-CD1 3.85Å; F280-Y285 AromaticContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CE2-CD1 4.01Å; F280-Y285 AromaticContact CE2-CE1 3.82Å; F280-Y285 HydrophobicContact CE2-CE1 3.82Å; F280-Y285 HydrophobicContact CG-CE1 4.49Å; F280-Y285 HydrophobicContact CZ-CE1 4.31Å; G283-Y285 VanDerWaalsContact C-N 3.29Å; G283-Y285 WeakPolarHBondContact O-CD2 3.48Å; G283-Y285 WeakPolarHBondContact O-CE2 3.44Å; G283-Y285 PolarHBondContact O-N 3.5Å; Y285-E287 PolarHBondContact O-N 3.1Å; Y285-A288 WeakPolarHBondContact O-CB 3.44Å; Y285-A288 PolarHBondContact O-N 3.44Å; Y285-I289 WeakPolarHBondContact O-CG1 3.47Å; Y285-I289 PolarHBondContact O-N 3.04Å; Y285-K315 HydrophobicContact CD1-CB 3.96Å; Y285-K315 HydrophobicContact CD1-CG 4.16Å; Y285-K315 HydrophobicContact CD2-CB 3.79Å; Y285-K315 HydrophobicContact CE1-CB 3.8Å; Y285-K315 HydrophobicContact CE1-CD 4.36Å; Y285-K315 HydrophobicContact CE1-CG 3.62Å; Y285-K315 HydrophobicContact CE2-CB 3.63Å; Y285-K315 HydrophobicContact CE2-CD 4.5Å; Y285-K315 HydrophobicContact CE2-CG 4.14Å; Y285-K315 HydrophobicContact CG-CB 3.95Å; Y285-L316 HydrophobicContact CD2-CD2 4.18Å
286	P	98.5	Very high	98.5	Very high	67 Å²	67	55.6 Å²	55.6	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-42.7	176.1	-25.9	37	0	0	0	113	I289 Q290 L316	P286-I289 WeakPolarHBondContact O-CB 3.38Å; P286-I289 PolarHBondContact O-N 3.03Å; P286-Q290 PolarHBondContact O-N 3.46Å; P286-Q290 VanDerWaalsContact O-N 3.17Å; P286-L316 HydrophobicContact CG-CD1 4.37Å
287	E	98.5	Very high	98.4	Very high	66 Å²	66	62.2 Å²	62.2	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-40.3	175.7	-62.3	95.9	131.5	0	0	111.4	C279 R284 Y285 I289 Q290 H291	C279-E287 HydrophobicContact CB-CB 4.26Å; R284-E287 HydrophobicContact CB-CB 4.43Å; R284-E287 IonicContact NH1-OE1 2.75Å; R284-E287 PolarHBondContact O-N 3.22Å; Y285-E287 PolarHBondContact O-N 3.1Å; E287-I289 VanDerWaalsContact C-N 3.29Å; E287-I289 PolarHBondContact O-N 3.37Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.05Å; E287-Q290 VanDerWaalsContact O-N 3.14Å; E287-H291 PolarHBondContact O-CD2 3.32Å; E287-H291 VanDerWaalsContact O-CD2 3.24Å; E287-H291 PolarHBondContact O-N 2.76Å; E287-H291 VanDerWaalsContact O-N 3.1Å
288	A	98.8	Very high	98.3	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-40.1	173.1	0	0	0	0	0	112	G276 C279 F280 R284 Y285 Q290 H291 Y292	G276-A288 WeakPolarHBondContact O-CB 3.44Å; C279-A288 HydrophobicContact CB-CB 3.8Å; F280-A288 HydrophobicContact CB-CB 4.25Å; R284-A288 WeakPolarHBondContact O-CB 3.25Å; R284-A288 PolarHBondContact O-N 3.03Å; Y285-A288 WeakPolarHBondContact O-CB 3.44Å; Y285-A288 PolarHBondContact O-N 3.44Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.22Å; A288-H291 PolarHBondContact O-N 2.94Å; A288-Y292 HydrophobicContact CB-CD2 4.39Å; A288-Y292 HydrophobicContact CB-CE2 4.01Å; A288-Y292 WeakPolarHBondContact O-CD2 3.42Å; A288-Y292 PolarHBondContact O-N 3.09Å
289	I	98.8	Very high	98.2	Very high	22 Å²	22	58 Å²	58	11%	0.113	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.3	-72.3	163	0	0	0	111.4	Y285 P286 E287 T293 R309 C312 Y313 L316	Y285-I289 WeakPolarHBondContact O-CG1 3.47Å; Y285-I289 PolarHBondContact O-N 3.04Å; P286-I289 WeakPolarHBondContact O-CB 3.38Å; P286-I289 PolarHBondContact O-N 3.03Å; E287-I289 VanDerWaalsContact C-N 3.29Å; E287-I289 PolarHBondContact O-N 3.37Å; I289-T293 WeakPolarHBondContact O-CB 3.49Å; I289-T293 PolarHBondContact O-N 3.22Å; I289-T293 PolarHBondContact O-OG1 3.13Å; I289-R309 HydrophobicContact CG1-CG 4.19Å; I289-R309 HydrophobicContact CG2-CG 4.37Å; I289-C312 HydrophobicContact CD1-CB 3.75Å; I289-C312 HydrophobicContact CG1-CB 3.42Å; I289-C312 VanDerWaalsContact CG1-CB 3.42Å; I289-Y313 HydrophobicContact CD1-CD1 3.77Å; I289-Y313 HydrophobicContact CD1-CE1 3.66Å; I289-Y313 HydrophobicContact CG1-CE1 4.28Å; I289-Y313 HydrophobicContact CG2-CE1 4.26Å; I289-L316 HydrophobicContact CD1-CD1 3.56Å
290	Q	98.6	Very high	98.1	Very high	134 Å²	134	59.4 Å²	59.4	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-49.1	176.8	-66.9	176.5	7.4	0	0	110.8	P286 E287 A288 T293 E294	P286-Q290 PolarHBondContact O-N 3.46Å; P286-Q290 VanDerWaalsContact O-N 3.17Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.05Å; E287-Q290 VanDerWaalsContact O-N 3.14Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.22Å; Q290-T293 PolarHBondContact O-N 3.13Å; Q290-E294 PolarHBondContact O-N 3.4Å
291	H	98.8	Very high	98	Very high	45 Å²	45	60.7 Å²	60.7	21%	0.208	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-44.9	178.7	-74	-56.5	0	0	0	113.1	E272 K275 E287 A288 T293 E294 A295	E272-H291 IonicContact OE2-CE1 2.86Å; E272-H291 IonicContact OE2-CG 3.54Å; E272-H291 IonicContact OE2-ND1 2.66Å; E272-H291 PolarHBondContact OE2-ND1 3.11Å; K275-H291 HydrophobicContact CB-CB 4.37Å; E287-H291 PolarHBondContact O-CD2 3.32Å; E287-H291 VanDerWaalsContact O-CD2 3.24Å; E287-H291 PolarHBondContact O-N 2.76Å; E287-H291 VanDerWaalsContact O-N 3.1Å; A288-H291 PolarHBondContact O-N 2.94Å; H291-T293 VanDerWaalsContact C-N 3.31Å; H291-T293 PolarHBondContact O-N 3.28Å; H291-E294 PolarHBondContact O-N 2.97Å; H291-A295 WeakPolarHBondContact O-CB 3.41Å; H291-A295 PolarHBondContact O-N 3.39Å
292	Y	98.7	Very high	98	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-34.7	175.4	-64.3	-45.1	0	0	0	112.4	K273 G276 N277 A288 A295 I296 N308 R309	K273-Y292 HydrophobicContact CG-CE1 4.37Å; G276-Y292 VanDerWaalsContact C-CZ 3.45Å; G276-Y292 VanDerWaalsContact C-OH 3.29Å; G276-Y292 PolarHBondContact O-OH 2.93Å; N277-Y292 WeakPolarHBondContact CA-OH 3.44Å; N277-Y292 PolarHBondContact N-OH 3.01Å; N277-Y292 PolarHBondContact OD1-OH 3.3Å; A288-Y292 HydrophobicContact CB-CD2 4.39Å; A288-Y292 HydrophobicContact CB-CE2 4.01Å; A288-Y292 WeakPolarHBondContact O-CD2 3.42Å; A288-Y292 PolarHBondContact O-N 3.09Å; Y292-A295 PolarHBondContact O-N 3.44Å; Y292-I296 WeakPolarHBondContact O-CB 3.32Å; Y292-I296 WeakPolarHBondContact O-CD1 2.82Å; Y292-I296 WeakPolarHBondContact O-CG1 3.2Å; Y292-I296 PolarHBondContact O-N 3.48Å; Y292-N308 HydrophobicContact CD1-CB 4.07Å; Y292-N308 HydrophobicContact CD2-CB 4.23Å; Y292-N308 HydrophobicContact CE1-CB 3.72Å; Y292-N308 HydrophobicContact CE2-CB 3.88Å; Y292-N308 HydrophobicContact CG-CB 4.33Å; Y292-R309 HydrophobicContact CD2-CB 4.15Å; Y292-R309 HydrophobicContact CG-CB 4.35Å
293	T	98.6	Very high	98	Very high	48 Å²	48	48.5 Å²	48.5	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-42.1	177	-62.7	0	0	0	0	111.7	I289 Q290 H291 I296 R297 R309	I289-T293 WeakPolarHBondContact O-CB 3.49Å; I289-T293 PolarHBondContact O-N 3.22Å; I289-T293 PolarHBondContact O-OG1 3.13Å; Q290-T293 PolarHBondContact O-N 3.13Å; H291-T293 VanDerWaalsContact C-N 3.31Å; H291-T293 PolarHBondContact O-N 3.28Å; T293-I296 PolarHBondContact O-N 3.41Å; T293-R297 PolarHBondContact O-N 3.38Å; T293-R309 WeakPolarHBondContact OG1-CD 3.33Å; T293-R309 PolarHBondContact OG1-NH1 3.26Å
294	E	98.1	Very high	98	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-43.8	172.9	176.9	59.6	-170.6	0	0	111	Y263 E272 Q290 H291 I296 R297 R298	Y263-E294 WeakPolarHBondContact CE1-OE1 3.33Å; Y263-E294 VanDerWaalsContact CZ-OE1 3.28Å; Y263-E294 PolarHBondContact OH-OE1 2.96Å; Y263-E294 PolarHBondContact OH-OE2 3.33Å; E272-E294 HydrophobicContact CG-CB 4.42Å; E272-E294 HydrophobicContact CG-CG 3.81Å; Q290-E294 PolarHBondContact O-N 3.4Å; H291-E294 PolarHBondContact O-N 2.97Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 2.9Å; E294-R297 WeakPolarHBondContact O-CB 3.48Å; E294-R297 PolarHBondContact O-N 3.08Å; E294-R297 VanDerWaalsContact O-N 3.12Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.34Å; E294-R298 PolarHBondContact O-N 3.27Å; E294-R298 IonicContact OE1-CZ 3.78Å; E294-R298 IonicContact OE1-NE 3.76Å; E294-R298 PolarHBondContact OE1-NE 2.68Å; E294-R298 IonicContact OE1-NH2 3.79Å; E294-R298 PolarHBondContact OE1-NH2 3.07Å; E294-R298 VanDerWaalsContact OE1-NH2 3.13Å
295	A	98.4	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-42	175.5	0	0	0	0	0	112.2	S269 E272 K273 H291 Y292 R298 N299 L305	S269-A295 WeakPolarHBondContact O-CB 3.48Å; S269-A295 PolarHBondContact OG-O 3.02Å; E272-A295 HydrophobicContact CB-CB 3.91Å; K273-A295 HydrophobicContact CB-CB 4.42Å; H291-A295 WeakPolarHBondContact O-CB 3.41Å; H291-A295 PolarHBondContact O-N 3.39Å; Y292-A295 PolarHBondContact O-N 3.44Å; A295-R298 CarbonylContact O-C 3.34Å; A295-R298 PolarHBondContact O-N 3.19Å; A295-N299 PolarHBondContact O-N 3.22Å; A295-L305 HydrophobicContact CB-CD1 4.03Å; A295-L305 HydrophobicContact CB-CD2 3.62Å; A295-L305 HydrophobicContact CB-CG 4.45Å; A295-L305 WeakPolarHBondContact O-CD1 2.93Å
296	I	97.8	Very high	98	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-42.1	176.5	-70.6	163.7	0	0	0	110.7	Y292 T293 E294 R298 N299 P300 L305 F306	Y292-I296 WeakPolarHBondContact O-CB 3.32Å; Y292-I296 WeakPolarHBondContact O-CD1 2.82Å; Y292-I296 WeakPolarHBondContact O-CG1 3.2Å; Y292-I296 PolarHBondContact O-N 3.48Å; T293-I296 PolarHBondContact O-N 3.41Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 2.9Å; I296-R298 PolarHBondContact O-N 3.46Å; I296-N299 CarbonylContact O-C 3.5Å; I296-N299 VanDerWaalsContact O-C 3.26Å; I296-N299 PolarHBondContact O-N 3.17Å; I296-P300 WeakPolarHBondContact O-CA 3.33Å; I296-P300 WeakPolarHBondContact O-CB 3.48Å; I296-P300 WeakPolarHBondContact O-CD 3.31Å; I296-L305 HydrophobicContact CD1-CB 4.2Å; I296-L305 HydrophobicContact CG1-CB 3.5Å; I296-L305 VanDerWaalsContact CG1-CB 3.5Å; I296-L305 HydrophobicContact CG1-CD1 4.09Å; I296-L305 HydrophobicContact CG1-CG 4.41Å; I296-F306 HydrophobicContact CD1-CD1 4Å; I296-F306 HydrophobicContact CD1-CE1 4.12Å; I296-F306 HydrophobicContact CD1-CG 4.22Å; I296-F306 HydrophobicContact CD1-CZ 4.43Å; I296-F306 HydrophobicContact CG1-CD2 4.45Å; I296-F306 HydrophobicContact CG1-CE2 4.28Å; I296-F306 HydrophobicContact CG1-CZ 4.35Å; I296-F306 HydrophobicContact CG2-CE1 3.91Å; I296-F306 HydrophobicContact CG2-CE2 4Å; I296-F306 HydrophobicContact CG2-CZ 3.45Å; I296-F306 VanDerWaalsContact CG2-CZ 3.45Å
297	R	96.4	Very high	98	Very high	139 Å²	139	39.4 Å²	39.4	53%	0.525	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-36.7	174.7	-85.4	-173.4	57.9	146.9	-1.6	112.1	Y263 Y264 T293 E294	Y263-R297 HydrophobicContact CD1-CB 3.82Å; Y263-R297 HydrophobicContact CE1-CB 3.62Å; Y263-R297 HydrophobicContact CE1-CG 4.49Å; Y264-R297 WeakPolarHBondContact CD1-O 3.28Å; T293-R297 PolarHBondContact O-N 3.38Å; E294-R297 WeakPolarHBondContact O-CB 3.48Å; E294-R297 PolarHBondContact O-N 3.08Å; E294-R297 VanDerWaalsContact O-N 3.12Å
298	R	97.6	Very high	98	Very high	49 Å²	49	37.4 Å²	37.4	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-80.3	-27.7	-180	-63.3	-63.5	-178.1	177.1	0.7	113.5	Y263 Y264 N265 E294 A295 I296	Y263-R298 HydrophobicContact CD1-CG 4.33Å; Y263-R298 VanDerWaalsContact CE1-CD 3.45Å; Y263-R298 HydrophobicContact CE1-CG 4.06Å; Y263-R298 VanDerWaalsContact CE2-NH2 3.25Å; Y263-R298 VanDerWaalsContact CZ-NE 3.34Å; Y263-R298 WeakPolarHBondContact O-CD 3.22Å; Y263-R298 PolarHBondContact O-NH1 3.13Å; Y263-R298 VanDerWaalsContact O-NH1 3.1Å; Y263-R298 PolarHBondContact OH-NH2 3.24Å; Y263-R298 VanDerWaalsContact OH-NH2 3.07Å; Y264-R298 CarbonylContact C-O 3.46Å; Y264-R298 WeakPolarHBondContact CA-O 3.43Å; N265-R298 PolarHBondContact N-O 3.25Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.34Å; E294-R298 PolarHBondContact O-N 3.27Å; E294-R298 IonicContact OE1-CZ 3.78Å; E294-R298 IonicContact OE1-NE 3.76Å; E294-R298 PolarHBondContact OE1-NE 2.68Å; E294-R298 IonicContact OE1-NH2 3.79Å; E294-R298 PolarHBondContact OE1-NH2 3.07Å; E294-R298 VanDerWaalsContact OE1-NH2 3.13Å; A295-R298 CarbonylContact O-C 3.34Å; A295-R298 PolarHBondContact O-N 3.19Å; I296-R298 PolarHBondContact O-N 3.46Å
299	N	97	Very high	98	Very high	30 Å²	30	39 Å²	39	16%	0.16	20%	0.196	C	C	.	.			trans	-148	78	178.4	-171	10.2	0	0	0	111.1	S269 A295 I296 S301 D302 L305	S269-N299 VanDerWaalsContact CB-CB 3.49Å; S269-N299 WeakPolarHBondContact OG-CB 3.28Å; A295-N299 PolarHBondContact O-N 3.22Å; I296-N299 CarbonylContact O-C 3.5Å; I296-N299 VanDerWaalsContact O-C 3.26Å; I296-N299 PolarHBondContact O-N 3.17Å; N299-S301 PolarHBondContact O-N 2.99Å; N299-S301 VanDerWaalsContact O-N 3.16Å; N299-S301 PolarHBondContact OD1-OG 3.19Å; N299-S301 VanDerWaalsContact OD1-OG 3.05Å; N299-D302 PolarHBondContact O-N 2.83Å; N299-L305 HydrophobicContact CB-CD1 4.44Å; N299-L305 WeakPolarHBondContact O-CD1 3.35Å
300	P	96	Very high	98	Very high	36 Å²	36	37.9 Å²	37.9	23%	0.234	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.1	-173.1	28	-34.2	0	0	0	114.1	Y264 I296 F306 L332	Y264-P300 HydrophobicContact CD1-CG 4.21Å; Y264-P300 HydrophobicContact CE1-CG 3.46Å; Y264-P300 VanDerWaalsContact CE1-CG 3.46Å; Y264-P300 HydrophobicContact CE2-CG 4.08Å; Y264-P300 WeakPolarHBondContact OH-CG 3.41Å; I296-P300 WeakPolarHBondContact O-CA 3.33Å; I296-P300 WeakPolarHBondContact O-CB 3.48Å; I296-P300 WeakPolarHBondContact O-CD 3.31Å; P300-F306 WeakPolarHBondContact O-CE2 3.38Å; P300-L332 WeakPolarHBondContact O-CD1 3.36Å
301	S	96.1	Very high	98	Very high	84 Å²	84	31.7 Å²	31.7	59%	0.587	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.1	175.8	55.1	0	0	0	0	113.8	N299 A303	N299-S301 PolarHBondContact O-N 2.99Å; N299-S301 VanDerWaalsContact O-N 3.16Å; N299-S301 PolarHBondContact OD1-OG 3.19Å; N299-S301 VanDerWaalsContact OD1-OG 3.05Å; S301-A303 PolarHBondContact O-N 3.43Å
302	D	97.5	Very high	98	Very high	33 Å²	33	29.6 Å²	29.6	18%	0.176	15%	0.152	C	C	.	.			trans	-81.6	98.5	176.5	-176.3	-2.3	0	0	0	110.7	K273 N299 V304 L305	K273-D302 IonicContact NZ-OD2 3.5Å; K273-D302 PolarHBondContact NZ-OD2 3.19Å; N299-D302 PolarHBondContact O-N 2.83Å; D302-V304 PolarHBondContact O-N 3.25Å; D302-V304 VanDerWaalsContact O-N 3.14Å; D302-V304 WeakPolarHBondContact OD1-CB 3.33Å; D302-V304 WeakPolarHBondContact OD1-CG2 3.38Å; D302-V304 PolarHBondContact OD1-N 3.12Å; D302-L305 HydrophobicContact CB-CD1 3.8Å; D302-L305 HydrophobicContact CB-CG 3.97Å; D302-L305 WeakPolarHBondContact O-CB 3.07Å; D302-L305 PolarHBondContact O-N 3.4Å; D302-L305 VanDerWaalsContact O-N 3.12Å
303	A	98.1	Very high	98	Very high	8 Å²	8	30.8 Å²	30.8	7%	0.066	16%	0.157	C	C	.	.	H	α-helix	trans	-55.5	-28.5	177.8	0	0	0	0	0	113.3	S301 L305 F306 S307 C329 L332 D333 F336	S301-A303 PolarHBondContact O-N 3.43Å; A303-L305 PolarHBondContact O-N 3.39Å; A303-F306 PolarHBondContact O-N 3.28Å; A303-S307 PolarHBondContact O-N 2.7Å; A303-C329 PolarHBondContact O-SG 3.16Å; A303-C329 VanDerWaalsContact O-SG 3.41Å; A303-L332 HydrophobicContact CB-CB 3.86Å; A303-D333 HydrophobicContact CB-CB 3.87Å; A303-F336 HydrophobicContact CB-CD1 4.31Å
304	V	98.3	Very high	97.9	Very high	49 Å²	49	30.4 Å²	30.4	30%	0.297	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-34.8	-179.8	-177.1	0	0	0	0	111.1	D302 S307 N308 F336	D302-V304 PolarHBondContact O-N 3.25Å; D302-V304 VanDerWaalsContact O-N 3.14Å; D302-V304 WeakPolarHBondContact OD1-CB 3.33Å; D302-V304 WeakPolarHBondContact OD1-CG2 3.38Å; D302-V304 PolarHBondContact OD1-N 3.12Å; V304-S307 PolarHBondContact O-N 2.91Å; V304-N308 WeakPolarHBondContact O-CB 3.41Å; V304-N308 VanDerWaalsContact O-CG 3.32Å; V304-N308 PolarHBondContact O-N 2.92Å; V304-N308 PolarHBondContact O-OD1 2.92Å; V304-F336 HydrophobicContact CB-CE1 4.47Å; V304-F336 HydrophobicContact CB-CZ 4.43Å; V304-F336 HydrophobicContact CG1-CZ 4.49Å; V304-F336 HydrophobicContact CG2-CE1 4.15Å; V304-F336 HydrophobicContact CG2-CE2 4.47Å; V304-F336 HydrophobicContact CG2-CZ 3.87Å
305	L	98.6	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-43.7	-178.8	-62.6	173.8	0	0	0	112.3	K273 A295 I296 N299 D302 A303 N308 R309	K273-L305 HydrophobicContact CB-CD2 3.74Å; K273-L305 HydrophobicContact CD-CD2 3.54Å; K273-L305 HydrophobicContact CG-CD2 3.69Å; A295-L305 HydrophobicContact CB-CD1 4.03Å; A295-L305 HydrophobicContact CB-CD2 3.62Å; A295-L305 HydrophobicContact CB-CG 4.45Å; A295-L305 WeakPolarHBondContact O-CD1 2.93Å; I296-L305 HydrophobicContact CD1-CB 4.2Å; I296-L305 HydrophobicContact CG1-CB 3.5Å; I296-L305 VanDerWaalsContact CG1-CB 3.5Å; I296-L305 HydrophobicContact CG1-CD1 4.09Å; I296-L305 HydrophobicContact CG1-CG 4.41Å; N299-L305 HydrophobicContact CB-CD1 4.44Å; N299-L305 WeakPolarHBondContact O-CD1 3.35Å; D302-L305 HydrophobicContact CB-CD1 3.8Å; D302-L305 HydrophobicContact CB-CG 3.97Å; D302-L305 WeakPolarHBondContact O-CB 3.07Å; D302-L305 PolarHBondContact O-N 3.4Å; D302-L305 VanDerWaalsContact O-N 3.12Å; A303-L305 PolarHBondContact O-N 3.39Å; L305-N308 PolarHBondContact O-N 3.18Å; L305-R309 PolarHBondContact O-N 3.49Å
306	F	98.7	Very high	97.9	Very high	22 Å²	22	37 Å²	37	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-43.8	175.6	-66.8	-89.5	0	0	0	110.9	I296 P300 A303 N308 R309 A310 D325 C329 L332	I296-F306 HydrophobicContact CD1-CD1 4Å; I296-F306 HydrophobicContact CD1-CE1 4.12Å; I296-F306 HydrophobicContact CD1-CG 4.22Å; I296-F306 HydrophobicContact CD1-CZ 4.43Å; I296-F306 HydrophobicContact CG1-CD2 4.45Å; I296-F306 HydrophobicContact CG1-CE2 4.28Å; I296-F306 HydrophobicContact CG1-CZ 4.35Å; I296-F306 HydrophobicContact CG2-CE1 3.91Å; I296-F306 HydrophobicContact CG2-CE2 4Å; I296-F306 HydrophobicContact CG2-CZ 3.45Å; I296-F306 VanDerWaalsContact CG2-CZ 3.45Å; P300-F306 WeakPolarHBondContact O-CE2 3.38Å; A303-F306 PolarHBondContact O-N 3.28Å; F306-N308 VanDerWaalsContact C-N 3.31Å; F306-N308 PolarHBondContact O-N 3.08Å; F306-R309 PolarHBondContact O-N 3.17Å; F306-A310 WeakPolarHBondContact O-CB 3.47Å; F306-A310 PolarHBondContact O-N 3.38Å; F306-D325 HydrophobicContact CB-CB 4.49Å; F306-C329 HydrophobicContact CB-CB 3.84Å; F306-L332 HydrophobicContact CD2-CD1 3.64Å; F306-L332 HydrophobicContact CE2-CD1 3.4Å; F306-L332 HydrophobicContact CZ-CD1 4.27Å
307	S	98.5	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-40.7	174.4	-173	0	0	0	0	112.6	A303 V304 A311 R342	A303-S307 PolarHBondContact O-N 2.7Å; V304-S307 PolarHBondContact O-N 2.91Å; S307-A311 PolarHBondContact O-N 2.84Å; S307-A311 VanDerWaalsContact O-N 3.16Å; S307-R342 WeakPolarHBondContact O-CD 3.35Å; S307-R342 PolarHBondContact O-NE 3.03Å; S307-R342 WeakPolarHBondContact OG-CD 3.41Å; S307-R342 PolarHBondContact OG-NE 3.42Å
308	N	98.5	Very high	98	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-42	178.6	-78	3.6	0	0	0	112.1	N277 Y292 V304 L305 F306 A311 C312	N277-N308 PolarHBondContact OD1-ND2 3.31Å; N277-N308 VanDerWaalsContact OD1-ND2 3.15Å; Y292-N308 HydrophobicContact CD1-CB 4.07Å; Y292-N308 HydrophobicContact CD2-CB 4.23Å; Y292-N308 HydrophobicContact CE1-CB 3.72Å; Y292-N308 HydrophobicContact CE2-CB 3.88Å; Y292-N308 HydrophobicContact CG-CB 4.33Å; V304-N308 WeakPolarHBondContact O-CB 3.41Å; V304-N308 VanDerWaalsContact O-CG 3.32Å; V304-N308 PolarHBondContact O-N 2.92Å; V304-N308 PolarHBondContact O-OD1 2.92Å; L305-N308 PolarHBondContact O-N 3.18Å; F306-N308 VanDerWaalsContact C-N 3.31Å; F306-N308 PolarHBondContact O-N 3.08Å; N308-A311 VanDerWaalsContact O-CB 3.23Å; N308-A311 WeakPolarHBondContact O-CB 3.36Å; N308-A311 PolarHBondContact O-N 2.73Å; N308-C312 PolarHBondContact O-N 3.31Å
309	R	98.8	Very high	98	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.125	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-37	177.5	-166.3	175.3	65.6	179.4	-0.4	112.4	I289 Y292 T293 L305 F306 A311 C312 Y313 D325	I289-R309 HydrophobicContact CG1-CG 4.19Å; I289-R309 HydrophobicContact CG2-CG 4.37Å; Y292-R309 HydrophobicContact CD2-CB 4.15Å; Y292-R309 HydrophobicContact CG-CB 4.35Å; T293-R309 WeakPolarHBondContact OG1-CD 3.33Å; T293-R309 PolarHBondContact OG1-NH1 3.26Å; L305-R309 PolarHBondContact O-N 3.49Å; F306-R309 PolarHBondContact O-N 3.17Å; R309-A311 PolarHBondContact O-N 3.11Å; R309-C312 WeakPolarHBondContact O-CB 3.37Å; R309-C312 PolarHBondContact O-N 2.91Å; R309-Y313 HydrophobicContact CG-CD2 4.16Å; R309-Y313 HydrophobicContact CG-CE2 3.64Å; R309-Y313 WeakPolarHBondContact O-CD2 3.39Å; R309-Y313 PolarHBondContact O-N 3.39Å; R309-D325 WeakPolarHBondContact CB-OD2 3.35Å; R309-D325 WeakPolarHBondContact CG-OD2 3.42Å; R309-D325 IonicContact CZ-OD1 2.7Å; R309-D325 IonicContact CZ-OD2 3.66Å; R309-D325 IonicContact NE-OD1 2.71Å; R309-D325 IonicContact NE-OD2 2.8Å; R309-D325 PolarHBondContact NE-OD2 3.48Å; R309-D325 IonicContact NH2-OD1 3.32Å; R309-D325 PolarHBondContact NH2-OD1 3.33Å; R309-D325 IonicContact NH2-OD2 3.9Å; R309-D325 PolarHBondContact NH2-OD2 3.06Å
310	A	98.7	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.9	-40.8	169.5	0	0	0	0	0	111.8	F306 C312 Y313 T314 D325	F306-A310 WeakPolarHBondContact O-CB 3.47Å; F306-A310 PolarHBondContact O-N 3.38Å; A310-C312 VanDerWaalsContact C-N 3.32Å; A310-C312 PolarHBondContact O-N 2.94Å; A310-Y313 PolarHBondContact O-N 3.31Å; A310-T314 PolarHBondContact O-N 3.14Å; A310-T314 PolarHBondContact O-OG1 3.42Å; A310-D325 HydrophobicContact CB-CB 3.79Å
311	A	98.3	Very high	98.1	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-41.4	176	0	0	0	0	0	112.6	F280 S307 N308 R309 K315 R342	F280-A311 HydrophobicContact CE2-CB 3.8Å; F280-A311 HydrophobicContact CZ-CB 4.11Å; S307-A311 PolarHBondContact O-N 2.84Å; S307-A311 VanDerWaalsContact O-N 3.16Å; N308-A311 VanDerWaalsContact O-CB 3.23Å; N308-A311 WeakPolarHBondContact O-CB 3.36Å; N308-A311 PolarHBondContact O-N 2.73Å; R309-A311 PolarHBondContact O-N 3.11Å; A311-K315 WeakPolarHBondContact O-CG 3.11Å; A311-K315 PolarHBondContact O-N 3.06Å; A311-K315 VanDerWaalsContact O-N 3.13Å; A311-R342 VanDerWaalsContact CB-NH1 3.25Å
312	C	98.6	Very high	98.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-47.6	174.6	-63.2	0	0	0	0	111.4	I289 N308 R309 A310 T314 K315 L316	I289-C312 HydrophobicContact CD1-CB 3.75Å; I289-C312 HydrophobicContact CG1-CB 3.42Å; I289-C312 VanDerWaalsContact CG1-CB 3.42Å; N308-C312 PolarHBondContact O-N 3.31Å; R309-C312 WeakPolarHBondContact O-CB 3.37Å; R309-C312 PolarHBondContact O-N 2.91Å; A310-C312 VanDerWaalsContact C-N 3.32Å; A310-C312 PolarHBondContact O-N 2.94Å; C312-T314 VanDerWaalsContact C-N 3.31Å; C312-T314 PolarHBondContact O-N 2.96Å; C312-K315 WeakPolarHBondContact O-CB 3.39Å; C312-K315 PolarHBondContact O-N 3.39Å; C312-K315 VanDerWaalsContact O-N 3.07Å; C312-L316 WeakPolarHBondContact O-CG 3.5Å; C312-L316 PolarHBondContact O-N 3.03Å
313	Y	98.6	Very high	98.3	Very high	28 Å²	28	45 Å²	45	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-41.4	178.6	-71.6	-50.1	0	0	0	111.9	I289 R309 A310 K315 L316 M317 E318 M321 D325	I289-Y313 HydrophobicContact CD1-CD1 3.77Å; I289-Y313 HydrophobicContact CD1-CE1 3.66Å; I289-Y313 HydrophobicContact CG1-CE1 4.28Å; I289-Y313 HydrophobicContact CG2-CE1 4.26Å; R309-Y313 HydrophobicContact CG-CD2 4.16Å; R309-Y313 HydrophobicContact CG-CE2 3.64Å; R309-Y313 WeakPolarHBondContact O-CD2 3.39Å; R309-Y313 PolarHBondContact O-N 3.39Å; A310-Y313 PolarHBondContact O-N 3.31Å; Y313-K315 VanDerWaalsContact C-N 3.34Å; Y313-K315 PolarHBondContact O-N 2.91Å; Y313-L316 CarbonylContact O-C 3.33Å; Y313-L316 PolarHBondContact O-N 3.16Å; Y313-L316 VanDerWaalsContact O-N 3.14Å; Y313-M317 PolarHBondContact O-N 3.45Å; Y313-E318 HydrophobicContact CD1-CB 3.95Å; Y313-E318 HydrophobicContact CG-CB 4.44Å; Y313-E318 PolarHBondContact O-N 3.25Å; Y313-M321 HydrophobicContact CD1-CB 3.77Å; Y313-M321 HydrophobicContact CD1-CG 4.49Å; Y313-M321 HydrophobicContact CD2-CB 3.74Å; Y313-M321 HydrophobicContact CE1-CB 3.97Å; Y313-M321 HydrophobicContact CE1-CE 4.4Å; Y313-M321 HydrophobicContact CE1-CG 4.42Å; Y313-M321 HydrophobicContact CE2-CB 3.93Å; Y313-M321 HydrophobicContact CE2-CE 4.42Å; Y313-M321 HydrophobicContact CG-CB 3.67Å; Y313-D325 WeakPolarHBondContact CE2-OD2 3.24Å
314	T	97.7	Very high	98.3	Very high	40 Å²	40	47 Å²	47	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-41.5	173.2	-53.5	0	0	0	0	112.2	A310 C312 L316 M317 F319	A310-T314 PolarHBondContact O-N 3.14Å; A310-T314 PolarHBondContact O-OG1 3.42Å; C312-T314 VanDerWaalsContact C-N 3.31Å; C312-T314 PolarHBondContact O-N 2.96Å; T314-L316 PolarHBondContact O-N 2.91Å; T314-M317 PolarHBondContact O-N 2.97Å; T314-M317 VanDerWaalsContact O-N 3.15Å; T314-F319 HydrophobicContact CG2-CE1 4.21Å
315	K	97.7	Very high	98.3	Very high	120 Å²	120	45 Å²	45	52%	0.522	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-27.2	176.9	-69.4	-67.9	-174.4	-173.7	0	113.2	F280 Y285 A311 C312 Y313	F280-K315 HydrophobicContact CE2-CG 4.45Å; Y285-K315 HydrophobicContact CD1-CB 3.96Å; Y285-K315 HydrophobicContact CD1-CG 4.16Å; Y285-K315 HydrophobicContact CD2-CB 3.79Å; Y285-K315 HydrophobicContact CE1-CB 3.8Å; Y285-K315 HydrophobicContact CE1-CD 4.36Å; Y285-K315 HydrophobicContact CE1-CG 3.62Å; Y285-K315 HydrophobicContact CE2-CB 3.63Å; Y285-K315 HydrophobicContact CE2-CD 4.5Å; Y285-K315 HydrophobicContact CE2-CG 4.14Å; Y285-K315 HydrophobicContact CG-CB 3.95Å; A311-K315 WeakPolarHBondContact O-CG 3.11Å; A311-K315 PolarHBondContact O-N 3.06Å; A311-K315 VanDerWaalsContact O-N 3.13Å; C312-K315 WeakPolarHBondContact O-CB 3.39Å; C312-K315 PolarHBondContact O-N 3.39Å; C312-K315 VanDerWaalsContact O-N 3.07Å; Y313-K315 VanDerWaalsContact C-N 3.34Å; Y313-K315 PolarHBondContact O-N 2.91Å
316	L	98	Very high	98.3	Very high	64 Å²	64	45 Å²	45	34%	0.335	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.7	175.5	-64.5	177.3	0	0	0	113.5	Y285 P286 I289 C312 Y313 T314 E318	Y285-L316 HydrophobicContact CD2-CD2 4.18Å; P286-L316 HydrophobicContact CG-CD1 4.37Å; I289-L316 HydrophobicContact CD1-CD1 3.56Å; C312-L316 WeakPolarHBondContact O-CG 3.5Å; C312-L316 PolarHBondContact O-N 3.03Å; Y313-L316 CarbonylContact O-C 3.33Å; Y313-L316 PolarHBondContact O-N 3.16Å; Y313-L316 VanDerWaalsContact O-N 3.14Å; T314-L316 PolarHBondContact O-N 2.91Å; L316-E318 HydrophobicContact CB-CG 4.13Å; L316-E318 PolarHBondContact O-N 3.32Å
317	M	97.7	Very high	98.3	Very high	141 Å²	141	47.1 Å²	47.1	70%	0.695	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	18.8	-175.5	-55.5	178	-103	0	0	114.5	Y313 T314 F319	Y313-M317 PolarHBondContact O-N 3.45Å; T314-M317 PolarHBondContact O-N 2.97Å; T314-M317 VanDerWaalsContact O-N 3.15Å; M317-F319 HydrophobicContact CB-CE1 4.49Å; M317-F319 HydrophobicContact CB-CE2 3.88Å; M317-F319 HydrophobicContact CB-CZ 3.77Å; M317-F319 HydrophobicContact CG-CE2 4.4Å; M317-F319 HydrophobicContact CG-CZ 3.92Å; M317-F319 WeakPolarHBondContact O-CD2 3.44Å; M317-F319 PolarHBondContact O-N 2.93Å
318	E	98.2	Very high	98.3	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	25%	0.249	S	C	.	.			trans	-85.4	61.6	175.6	-65.2	-64.5	169.3	0	0	110.4	Y313 L316 E320 M321 A322	Y313-E318 HydrophobicContact CD1-CB 3.95Å; Y313-E318 HydrophobicContact CG-CB 4.44Å; Y313-E318 PolarHBondContact O-N 3.25Å; L316-E318 HydrophobicContact CB-CG 4.13Å; L316-E318 PolarHBondContact O-N 3.32Å; E318-E320 VanDerWaalsContact C-N 3.32Å; E318-E320 PolarHBondContact O-N 3.44Å; E318-M321 HydrophobicContact CB-CB 4.33Å; E318-M321 HydrophobicContact CB-CG 4.49Å; E318-M321 PolarHBondContact O-N 3.18Å; E318-A322 PolarHBondContact O-N 3.37Å
319	F	98	Very high	98.3	Very high	47 Å²	47	48 Å²	48	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-30.5	-166.4	-55.5	-59.7	0	0	0	114.3	T314 M317 A322 L323 A349 M350	T314-F319 HydrophobicContact CG2-CE1 4.21Å; M317-F319 HydrophobicContact CB-CE1 4.49Å; M317-F319 HydrophobicContact CB-CE2 3.88Å; M317-F319 HydrophobicContact CB-CZ 3.77Å; M317-F319 HydrophobicContact CG-CE2 4.4Å; M317-F319 HydrophobicContact CG-CZ 3.92Å; M317-F319 WeakPolarHBondContact O-CD2 3.44Å; M317-F319 PolarHBondContact O-N 2.93Å; F319-A322 PolarHBondContact O-N 3.06Å; F319-L323 WeakPolarHBondContact O-CB 3.47Å; F319-L323 PolarHBondContact O-N 2.98Å; F319-A349 HydrophobicContact CD1-CB 3.65Å; F319-A349 HydrophobicContact CD2-CB 4.07Å; F319-A349 HydrophobicContact CE1-CB 3.34Å; F319-A349 HydrophobicContact CE2-CB 3.79Å; F319-A349 HydrophobicContact CG-CB 4.01Å; F319-A349 HydrophobicContact CZ-CB 3.42Å; F319-A349 VanDerWaalsContact CZ-CB 3.42Å; F319-M350 HydrophobicContact CB-CG 3.39Å; F319-M350 HydrophobicContact CB-SD 3.75Å; F319-M350 HydrophobicContact CD2-CG 4.26Å; F319-M350 HydrophobicContact CG-CG 4.07Å
320	E	98.1	Very high	98.3	Very high	148 Å²	148	47.6 Å²	47.6	69%	0.692	24%	0.244	S	C	*	.	H	α-helix	trans	-65.2	-41.9	175.4	-67.4	-172.4	172.3	0	0	111.8	E318 L323 A324 M350	E318-E320 VanDerWaalsContact C-N 3.32Å; E318-E320 PolarHBondContact O-N 3.44Å; E320-L323 PolarHBondContact O-N 3.47Å; E320-A324 PolarHBondContact O-N 3.35Å; E320-M350 HydrophobicContact CG-CE 3.68Å
321	M	98.4	Very high	98.3	Very high	91 Å²	91	52 Å²	52	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-39.8	175.6	-63.4	-64.4	-71.3	0	0	111.1	Y313 E318 L323 A324 D325	Y313-M321 HydrophobicContact CD1-CB 3.77Å; Y313-M321 HydrophobicContact CD1-CG 4.49Å; Y313-M321 HydrophobicContact CD2-CB 3.74Å; Y313-M321 HydrophobicContact CE1-CB 3.97Å; Y313-M321 HydrophobicContact CE1-CE 4.4Å; Y313-M321 HydrophobicContact CE1-CG 4.42Å; Y313-M321 HydrophobicContact CE2-CB 3.93Å; Y313-M321 HydrophobicContact CE2-CE 4.42Å; Y313-M321 HydrophobicContact CG-CB 3.67Å; E318-M321 HydrophobicContact CB-CB 4.33Å; E318-M321 HydrophobicContact CB-CG 4.49Å; E318-M321 PolarHBondContact O-N 3.18Å; M321-L323 VanDerWaalsContact C-N 3.33Å; M321-L323 PolarHBondContact O-N 3.06Å; M321-A324 PolarHBondContact O-N 3.2Å; M321-D325 PolarHBondContact O-N 2.94Å; M321-D325 VanDerWaalsContact O-N 3.09Å
322	A	98.6	Very high	98.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-43.3	173.6	0	0	0	0	0	111.6	E318 F319 D325 C326 A346	E318-A322 PolarHBondContact O-N 3.37Å; F319-A322 PolarHBondContact O-N 3.06Å; A322-D325 PolarHBondContact O-N 3.42Å; A322-C326 PolarHBondContact O-N 3.36Å; A322-C326 PolarHBondContact O-SG 3.5Å; A322-A346 HydrophobicContact CB-CB 4.3Å
323	L	98.3	Very high	98.3	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.6	-175.5	61.5	0	0	0	111.7	F319 E320 M321 D325 C326 D327 K343 L347 M350	F319-L323 WeakPolarHBondContact O-CB 3.47Å; F319-L323 PolarHBondContact O-N 2.98Å; E320-L323 PolarHBondContact O-N 3.47Å; M321-L323 VanDerWaalsContact C-N 3.33Å; M321-L323 PolarHBondContact O-N 3.06Å; L323-D325 VanDerWaalsContact C-N 3.34Å; L323-D325 PolarHBondContact O-N 3.23Å; L323-C326 WeakPolarHBondContact O-CB 3.3Å; L323-C326 PolarHBondContact O-N 2.98Å; L323-C326 VanDerWaalsContact O-N 3.16Å; L323-D327 PolarHBondContact O-N 2.91Å; L323-K343 HydrophobicContact CD1-CD 4.26Å; L323-K343 HydrophobicContact CD1-CG 3.75Å; L323-L347 HydrophobicContact CD1-CD1 4.37Å; L323-L347 HydrophobicContact CD1-CD2 4.1Å; L323-L347 HydrophobicContact CD1-CG 4.09Å; L323-L347 HydrophobicContact CD2-CD2 4.02Å; L323-M350 HydrophobicContact CD2-SD 4.42Å
324	A	98.5	Very high	98.2	Very high	50 Å²	50	60.9 Å²	60.9	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-40.4	177.3	0	0	0	0	0	112.7	E320 M321 D327 S328	E320-A324 PolarHBondContact O-N 3.35Å; M321-A324 PolarHBondContact O-N 3.2Å; A324-D327 PolarHBondContact O-N 3.37Å; A324-S328 PolarHBondContact O-N 2.87Å; A324-S328 PolarHBondContact O-OG 3.1Å
325	D	98.6	Very high	98.2	Very high	9 Å²	9	67 Å²	67	5%	0.048	35%	0.35	C	S	.	.	H	α-helix	trans	-69.8	-36.1	174.2	-88.2	-4.3	0	0	0	112.1	F306 R309 A310 Y313 M321 A322 L323 S328 C329	F306-D325 HydrophobicContact CB-CB 4.49Å; R309-D325 WeakPolarHBondContact CB-OD2 3.35Å; R309-D325 WeakPolarHBondContact CG-OD2 3.42Å; R309-D325 IonicContact CZ-OD1 2.7Å; R309-D325 IonicContact CZ-OD2 3.66Å; R309-D325 IonicContact NE-OD1 2.71Å; R309-D325 IonicContact NE-OD2 2.8Å; R309-D325 PolarHBondContact NE-OD2 3.48Å; R309-D325 IonicContact NH2-OD1 3.32Å; R309-D325 PolarHBondContact NH2-OD1 3.33Å; R309-D325 IonicContact NH2-OD2 3.9Å; R309-D325 PolarHBondContact NH2-OD2 3.06Å; A310-D325 HydrophobicContact CB-CB 3.79Å; Y313-D325 WeakPolarHBondContact CE2-OD2 3.24Å; M321-D325 PolarHBondContact O-N 2.94Å; M321-D325 VanDerWaalsContact O-N 3.09Å; A322-D325 PolarHBondContact O-N 3.42Å; L323-D325 VanDerWaalsContact C-N 3.34Å; L323-D325 PolarHBondContact O-N 3.23Å; D325-S328 PolarHBondContact O-N 3.28Å; D325-C329 WeakPolarHBondContact O-CB 2.98Å; D325-C329 PolarHBondContact O-N 3.48Å
326	C	98.6	Very high	98.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-41.7	173.6	-67.1	0	0	0	0	111.6	A322 L323 C329 I330 R342 K343	A322-C326 PolarHBondContact O-N 3.36Å; A322-C326 PolarHBondContact O-SG 3.5Å; L323-C326 WeakPolarHBondContact O-CB 3.3Å; L323-C326 PolarHBondContact O-N 2.98Å; L323-C326 VanDerWaalsContact O-N 3.16Å; C326-C329 WeakPolarHBondContact O-CB 3.41Å; C326-C329 PolarHBondContact O-N 3.07Å; C326-I330 WeakPolarHBondContact O-CB 3.36Å; C326-I330 WeakPolarHBondContact O-CD1 3.37Å; C326-I330 WeakPolarHBondContact O-CG1 3.18Å; C326-I330 PolarHBondContact O-N 2.92Å; C326-R342 VanDerWaalsContact SG-CB 3.56Å; C326-K343 HydrophobicContact CB-CB 3.85Å; C326-K343 HydrophobicContact CB-CG 4.48Å
327	D	98.5	Very high	98.2	Very high	65 Å²	65	61.8 Å²	61.8	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-41.4	176	-72.7	-25.8	0	0	0	111.4	L323 A324 I330 S331 K343	L323-D327 PolarHBondContact O-N 2.91Å; A324-D327 PolarHBondContact O-N 3.37Å; D327-I330 PolarHBondContact O-N 3.35Å; D327-S331 WeakPolarHBondContact O-CB 3.29Å; D327-S331 PolarHBondContact O-N 2.86Å; D327-K343 WeakPolarHBondContact OD1-CE 3.47Å; D327-K343 IonicContact OD1-NZ 2.71Å; D327-K343 PolarHBondContact OD1-NZ 3.37Å
328	S	98.4	Very high	98.2	Very high	42 Å²	42	60.4 Å²	60.4	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-46.1	174.5	-58.5	0	0	0	0	111.5	A324 D325 S331 L332	A324-S328 PolarHBondContact O-N 2.87Å; A324-S328 PolarHBondContact O-OG 3.1Å; D325-S328 PolarHBondContact O-N 3.28Å; S328-S331 PolarHBondContact O-N 3.42Å; S328-S331 PolarHBondContact O-OG 3.2Å; S328-L332 WeakPolarHBondContact O-CG 3.48Å; S328-L332 PolarHBondContact O-N 2.98Å; S328-L332 VanDerWaalsContact O-N 3.14Å
329	C	98.5	Very high	98.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.7	-51.7	175.3	176.3	0	0	0	0	112.3	A303 F306 D325 C326 S331 L332 D333 F336	A303-C329 PolarHBondContact O-SG 3.16Å; A303-C329 VanDerWaalsContact O-SG 3.41Å; F306-C329 HydrophobicContact CB-CB 3.84Å; D325-C329 WeakPolarHBondContact O-CB 2.98Å; D325-C329 PolarHBondContact O-N 3.48Å; C326-C329 WeakPolarHBondContact O-CB 3.41Å; C326-C329 PolarHBondContact O-N 3.07Å; C329-S331 VanDerWaalsContact C-N 3.31Å; C329-S331 PolarHBondContact O-N 3.13Å; C329-L332 PolarHBondContact O-N 3.23Å; C329-D333 PolarHBondContact O-N 3.18Å; C329-F336 WeakPolarHBondContact SG-CD1 3.2Å
330	I	98.4	Very high	98.2	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.128	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-33.5	179.8	-66.5	162.3	0	0	0	111.1	C326 D327 L332 D333 P334 K343	C326-I330 WeakPolarHBondContact O-CB 3.36Å; C326-I330 WeakPolarHBondContact O-CD1 3.37Å; C326-I330 WeakPolarHBondContact O-CG1 3.18Å; C326-I330 PolarHBondContact O-N 2.92Å; D327-I330 PolarHBondContact O-N 3.35Å; I330-L332 VanDerWaalsContact C-N 3.3Å; I330-L332 PolarHBondContact O-N 3.46Å; I330-D333 CarbonylContact O-C 3.27Å; I330-P334 VanDerWaalsContact O-CA 3.25Å; I330-P334 WeakPolarHBondContact O-CA 3.43Å; I330-P334 VanDerWaalsContact O-CD 3.31Å; I330-P334 WeakPolarHBondContact O-CD 3.19Å; I330-P334 VanDerWaalsContact O-CG 3.32Å; I330-P334 WeakPolarHBondContact O-CG 3.42Å; I330-K343 HydrophobicContact CD1-CB 4.35Å; I330-K343 HydrophobicContact CD1-CD 3.68Å
331	S	98.4	Very high	98.2	Very high	91 Å²	91	46.9 Å²	46.9	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-66.7	-32.4	176.5	78	0	0	0	0	112.9	D327 S328 C329	D327-S331 WeakPolarHBondContact O-CB 3.29Å; D327-S331 PolarHBondContact O-N 2.86Å; S328-S331 PolarHBondContact O-N 3.42Å; S328-S331 PolarHBondContact O-OG 3.2Å; C329-S331 VanDerWaalsContact C-N 3.31Å; C329-S331 PolarHBondContact O-N 3.13Å
332	L	98.1	Very high	98.2	Very high	72 Å²	72	45.6 Å²	45.6	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-81.3	-42.1	178.1	-70.7	171.3	0	0	0	112.3	P300 A303 F306 S328 C329 I330	P300-L332 WeakPolarHBondContact O-CD1 3.36Å; A303-L332 HydrophobicContact CB-CB 3.86Å; F306-L332 HydrophobicContact CD2-CD1 3.64Å; F306-L332 HydrophobicContact CE2-CD1 3.4Å; F306-L332 HydrophobicContact CZ-CD1 4.27Å; S328-L332 WeakPolarHBondContact O-CG 3.48Å; S328-L332 PolarHBondContact O-N 2.98Å; S328-L332 VanDerWaalsContact O-N 3.14Å; C329-L332 PolarHBondContact O-N 3.23Å; I330-L332 VanDerWaalsContact C-N 3.3Å; I330-L332 PolarHBondContact O-N 3.46Å
333	D	98	Very high	98.2	Very high	65 Å²	65	47.8 Å²	47.8	35%	0.348	25%	0.254	S	S	.	.			trans	-138.7	93.3	174.4	-176	-1.8	0	0	0	110.8	A303 C329 I330 K335 F336	A303-D333 HydrophobicContact CB-CB 3.87Å; C329-D333 PolarHBondContact O-N 3.18Å; I330-D333 CarbonylContact O-C 3.27Å; D333-K335 PolarHBondContact O-N 3.03Å; D333-K335 VanDerWaalsContact O-N 3.12Å; D333-K335 PolarHBondContact OD1-N 3.3Å; D333-F336 HydrophobicContact CB-CB 3.87Å; D333-F336 WeakPolarHBondContact O-CB 3.49Å; D333-F336 PolarHBondContact O-N 3.19Å; D333-F336 PolarHBondContact OD1-N 3.1Å
334	P	97.7	Very high	98.2	Very high	82 Å²	82	47 Å²	47	53%	0.532	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.1	179.2	-25.5	33.7	0	0	0	114.5	I330 H340	I330-P334 VanDerWaalsContact O-CA 3.25Å; I330-P334 WeakPolarHBondContact O-CA 3.43Å; I330-P334 VanDerWaalsContact O-CD 3.31Å; I330-P334 WeakPolarHBondContact O-CD 3.19Å; I330-P334 VanDerWaalsContact O-CG 3.32Å; I330-P334 WeakPolarHBondContact O-CG 3.42Å; P334-H340 PolarHBondContact O-NE2 3.18Å
335	K	97.3	Very high	98.1	Very high	169 Å²	169	46.2 Å²	46.2	74%	0.735	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.3	178.4	-66.5	-174.1	177.9	-177.3	0	112.5	D333 L337 I366	D333-K335 PolarHBondContact O-N 3.03Å; D333-K335 VanDerWaalsContact O-N 3.12Å; D333-K335 PolarHBondContact OD1-N 3.3Å; K335-L337 PolarHBondContact O-N 3.46Å; K335-I366 WeakPolarHBondContact O-CG2 3.42Å
336	F	97.2	Very high	98.1	Very high	41 Å²	41	45.8 Å²	45.8	18%	0.18	24%	0.241	C	C	.	.			trans	-76.4	95.7	179.6	-169.4	-142.8	0	0	0	111.1	A303 V304 C329 D333 K338 G339	A303-F336 HydrophobicContact CB-CD1 4.31Å; V304-F336 HydrophobicContact CB-CE1 4.47Å; V304-F336 HydrophobicContact CB-CZ 4.43Å; V304-F336 HydrophobicContact CG1-CZ 4.49Å; V304-F336 HydrophobicContact CG2-CE1 4.15Å; V304-F336 HydrophobicContact CG2-CE2 4.47Å; V304-F336 HydrophobicContact CG2-CZ 3.87Å; C329-F336 WeakPolarHBondContact SG-CD1 3.2Å; D333-F336 HydrophobicContact CB-CB 3.87Å; D333-F336 WeakPolarHBondContact O-CB 3.49Å; D333-F336 PolarHBondContact O-N 3.19Å; D333-F336 PolarHBondContact OD1-N 3.1Å; F336-K338 HydrophobicContact CE1-CB 4.15Å; F336-K338 HydrophobicContact CE2-CB 4.24Å; F336-K338 HydrophobicContact CE2-CD 4.43Å; F336-K338 HydrophobicContact CE2-CG 4.48Å; F336-K338 HydrophobicContact CZ-CB 3.93Å; F336-K338 HydrophobicContact CZ-CD 4.12Å; F336-K338 HydrophobicContact CZ-CG 4.4Å; F336-K338 PolarHBondContact O-N 3.49Å; F336-K338 VanDerWaalsContact O-N 3.08Å; F336-G339 PolarHBondContact O-N 2.84Å
337	L	97.9	Very high	98	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-46.2	-43.5	-175.6	-178.9	63.3	0	0	0	113.8	K335 G339 H340 L341 A363 I366 D367 N370	K335-L337 PolarHBondContact O-N 3.46Å; L337-G339 PolarHBondContact O-N 3.49Å; L337-H340 PolarHBondContact O-N 2.89Å; L337-L341 HydrophobicContact CD1-CD1 4.38Å; L337-L341 HydrophobicContact CD1-CG 4.32Å; L337-L341 HydrophobicContact CD2-CD1 4.39Å; L337-L341 HydrophobicContact CG-CD1 3.88Å; L337-L341 HydrophobicContact CG-CG 4.26Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.2Å; L337-A363 HydrophobicContact CD1-CB 3.77Å; L337-A363 WeakPolarHBondContact CD1-O 3.4Å; L337-I366 HydrophobicContact CB-CG2 4.16Å; L337-I366 HydrophobicContact CD1-CB 4.27Å; L337-I366 HydrophobicContact CD1-CG2 4.31Å; L337-D367 HydrophobicContact CD1-CB 4.25Å; L337-D367 HydrophobicContact CD2-CB 3.89Å; L337-N370 HydrophobicContact CD2-CB 4.48Å; L337-N370 WeakPolarHBondContact CD2-ND2 3.48Å
338	K	97.6	Very high	98	Very high	112 Å²	112	44.8 Å²	44.8	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-28.4	-179.8	-73.3	-174.6	176	178.3	0	113.5	F336 R342	F336-K338 HydrophobicContact CE1-CB 4.15Å; F336-K338 HydrophobicContact CE2-CB 4.24Å; F336-K338 HydrophobicContact CE2-CD 4.43Å; F336-K338 HydrophobicContact CE2-CG 4.48Å; F336-K338 HydrophobicContact CZ-CB 3.93Å; F336-K338 HydrophobicContact CZ-CD 4.12Å; F336-K338 HydrophobicContact CZ-CG 4.4Å; F336-K338 PolarHBondContact O-N 3.49Å; F336-K338 VanDerWaalsContact O-N 3.08Å; K338-R342 WeakPolarHBondContact O-CB 3.25Å; K338-R342 VanDerWaalsContact O-CG 3.22Å; K338-R342 WeakPolarHBondContact O-CG 3.41Å; K338-R342 PolarHBondContact O-N 2.9Å; K338-R342 VanDerWaalsContact O-N 3.13Å
339	G	97.9	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-47.8	175.2	0	0	0	0	0	111.6	F336 L337 K343	F336-G339 PolarHBondContact O-N 2.84Å; L337-G339 PolarHBondContact O-N 3.49Å; G339-K343 WeakPolarHBondContact O-CB 3.28Å; G339-K343 PolarHBondContact O-N 3.34Å
340	H	98.5	Very high	97.7	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.06	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-43	179.1	-66.7	-75.8	0	0	0	112.8	P334 L337 R342 K343 G344 A363 I366	P334-H340 PolarHBondContact O-NE2 3.18Å; L337-H340 PolarHBondContact O-N 2.89Å; H340-R342 PolarHBondContact O-N 3.28Å; H340-K343 WeakPolarHBondContact O-CB 3.31Å; H340-K343 PolarHBondContact O-N 3.36Å; H340-G344 PolarHBondContact O-N 3.06Å; H340-A363 HydrophobicContact CB-CB 3.84Å; H340-I366 WeakPolarHBondContact CD2-CD1 3.36Å
341	L	98.4	Very high	97.4	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-48.7	176.2	-69.7	176	0	0	0	111.9	L337 K343 G344 A345 Y360 A363 E372 A373	L337-L341 HydrophobicContact CD1-CD1 4.38Å; L337-L341 HydrophobicContact CD1-CG 4.32Å; L337-L341 HydrophobicContact CD2-CD1 4.39Å; L337-L341 HydrophobicContact CG-CD1 3.88Å; L337-L341 HydrophobicContact CG-CG 4.26Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.2Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.94Å; L341-G344 PolarHBondContact O-N 2.97Å; L341-A345 PolarHBondContact O-N 3.17Å; L341-Y360 HydrophobicContact CD2-CD1 4.26Å; L341-Y360 HydrophobicContact CD2-CE1 4.41Å; L341-A363 HydrophobicContact CD2-CB 3.9Å; L341-A363 HydrophobicContact CG-CB 4.27Å; L341-E372 HydrophobicContact CD1-CB 4.34Å; L341-E372 HydrophobicContact CD1-CG 4.4Å; L341-E372 HydrophobicContact CD2-CB 4.18Å; L341-E372 HydrophobicContact CD2-CG 4.16Å; L341-A373 HydrophobicContact CD2-CB 3.67Å
342	R	98.2	Very high	97.2	Very high	63 Å²	63	52.8 Å²	52.8	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-36	178.6	-70.5	-175.3	-168.1	-66.4	7.3	112.5	S307 A311 C326 K338 H340 A345 A346	S307-R342 WeakPolarHBondContact O-CD 3.35Å; S307-R342 PolarHBondContact O-NE 3.03Å; S307-R342 WeakPolarHBondContact OG-CD 3.41Å; S307-R342 PolarHBondContact OG-NE 3.42Å; A311-R342 VanDerWaalsContact CB-NH1 3.25Å; C326-R342 VanDerWaalsContact SG-CB 3.56Å; K338-R342 WeakPolarHBondContact O-CB 3.25Å; K338-R342 VanDerWaalsContact O-CG 3.22Å; K338-R342 WeakPolarHBondContact O-CG 3.41Å; K338-R342 PolarHBondContact O-N 2.9Å; K338-R342 VanDerWaalsContact O-N 3.13Å; H340-R342 PolarHBondContact O-N 3.28Å; R342-A345 PolarHBondContact O-N 2.88Å; R342-A346 WeakPolarHBondContact O-CB 3.35Å; R342-A346 PolarHBondContact O-N 3.45Å
343	K	98.6	Very high	97	Very high	47 Å²	47	49.6 Å²	49.6	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-48.3	173.5	-178.4	165.2	177.7	169.5	0	111.1	L323 C326 D327 I330 G339 H340 L341 A345 A346 L347 A359	L323-K343 HydrophobicContact CD1-CD 4.26Å; L323-K343 HydrophobicContact CD1-CG 3.75Å; C326-K343 HydrophobicContact CB-CB 3.85Å; C326-K343 HydrophobicContact CB-CG 4.48Å; D327-K343 WeakPolarHBondContact OD1-CE 3.47Å; D327-K343 IonicContact OD1-NZ 2.71Å; D327-K343 PolarHBondContact OD1-NZ 3.37Å; I330-K343 HydrophobicContact CD1-CB 4.35Å; I330-K343 HydrophobicContact CD1-CD 3.68Å; G339-K343 WeakPolarHBondContact O-CB 3.28Å; G339-K343 PolarHBondContact O-N 3.34Å; H340-K343 WeakPolarHBondContact O-CB 3.31Å; H340-K343 PolarHBondContact O-N 3.36Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.94Å; K343-A345 PolarHBondContact O-N 3.37Å; K343-A346 PolarHBondContact O-N 3.24Å; K343-L347 HydrophobicContact CG-CD1 3.76Å; K343-L347 WeakPolarHBondContact O-CB 3.39Å; K343-L347 WeakPolarHBondContact O-CD1 3.29Å; K343-L347 VanDerWaalsContact O-CG 3.24Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.96Å; K343-A359 HydrophobicContact CB-CB 4.16Å; K343-A359 HydrophobicContact CD-CB 4.31Å; K343-A359 HydrophobicContact CG-CB 3.9Å
344	G	98.1	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-48.5	175.3	0	0	0	0	0	112	H340 L341 A346 L347 M348 Y360	H340-G344 PolarHBondContact O-N 3.06Å; L341-G344 PolarHBondContact O-N 2.97Å; G344-A346 PolarHBondContact O-N 2.96Å; G344-L347 PolarHBondContact O-N 3.44Å; G344-M348 WeakPolarHBondContact O-CG 3.49Å; G344-M348 PolarHBondContact O-N 3.25Å; G344-Y360 VanDerWaalsContact C-CZ 3.43Å; G344-Y360 VanDerWaalsContact C-OH 3.26Å
345	A	97.6	Very high	96.5	Very high	35 Å²	35	49.5 Å²	49.5	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-42.5	179.7	0	0	0	0	0	112.9	L341 R342 K343 M348 A349 Y360	L341-A345 PolarHBondContact O-N 3.17Å; R342-A345 PolarHBondContact O-N 2.88Å; K343-A345 PolarHBondContact O-N 3.37Å; A345-M348 PolarHBondContact O-N 3.02Å; A345-A349 PolarHBondContact O-N 3.45Å; A345-Y360 WeakPolarHBondContact CA-OH 3.42Å; A345-Y360 PolarHBondContact N-OH 3.45Å
346	A	98	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-42.5	176.2	0	0	0	0	0	111.7	A322 R342 K343 G344 A349 M350	A322-A346 HydrophobicContact CB-CB 4.3Å; R342-A346 WeakPolarHBondContact O-CB 3.35Å; R342-A346 PolarHBondContact O-N 3.45Å; K343-A346 PolarHBondContact O-N 3.24Å; G344-A346 PolarHBondContact O-N 2.96Å; A346-A349 PolarHBondContact O-N 3.22Å; A346-M350 VanDerWaalsContact O-CG 3.3Å; A346-M350 WeakPolarHBondContact O-CG 3.42Å; A346-M350 PolarHBondContact O-N 3.44Å
347	L	97.7	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-37.6	178	-70.9	164.4	0	0	0	112.3	L323 K343 G344 M350 K351 Q352 R355 A356 A359	L323-L347 HydrophobicContact CD1-CD1 4.37Å; L323-L347 HydrophobicContact CD1-CD2 4.1Å; L323-L347 HydrophobicContact CD1-CG 4.09Å; L323-L347 HydrophobicContact CD2-CD2 4.02Å; K343-L347 HydrophobicContact CG-CD1 3.76Å; K343-L347 WeakPolarHBondContact O-CB 3.39Å; K343-L347 WeakPolarHBondContact O-CD1 3.29Å; K343-L347 VanDerWaalsContact O-CG 3.24Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.96Å; G344-L347 PolarHBondContact O-N 3.44Å; L347-M350 CarbonylContact O-C 3.52Å; L347-M350 PolarHBondContact O-N 3.07Å; L347-K351 PolarHBondContact O-N 3.33Å; L347-Q352 HydrophobicContact CB-CB 4.49Å; L347-Q352 HydrophobicContact CD2-CB 4.25Å; L347-Q352 PolarHBondContact O-N 2.94Å; L347-R355 HydrophobicContact CD1-CB 3.89Å; L347-R355 HydrophobicContact CD2-CB 4.03Å; L347-R355 HydrophobicContact CG-CB 4.44Å; L347-A356 HydrophobicContact CB-CB 3.77Å; L347-A359 HydrophobicContact CD1-CB 4.36Å
348	M	96.6	Very high	96.3	Very high	44 Å²	44	41.7 Å²	41.7	22%	0.217	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-45.6	171.6	-75.1	-58.2	-73.4	0	0	111.5	G344 A345 M350 K351 P353 A356 Y360 E379 A380 A383	G344-M348 WeakPolarHBondContact O-CG 3.49Å; G344-M348 PolarHBondContact O-N 3.25Å; A345-M348 PolarHBondContact O-N 3.02Å; M348-M350 VanDerWaalsContact C-N 3.26Å; M348-M350 PolarHBondContact O-N 2.77Å; M348-K351 PolarHBondContact O-N 2.97Å; M348-P353 HydrophobicContact SD-CB 4.23Å; M348-A356 HydrophobicContact CG-CB 3.66Å; M348-A356 HydrophobicContact SD-CB 3.66Å; M348-Y360 HydrophobicContact CG-CE2 4.06Å; M348-E379 HydrophobicContact CE-CB 4.15Å; M348-A380 HydrophobicContact CE-CB 4.34Å; M348-A380 VanDerWaalsContact SD-CA 3.51Å; M348-A380 HydrophobicContact SD-CB 3.53Å; M348-A380 VanDerWaalsContact SD-CB 3.53Å; M348-A383 HydrophobicContact CE-CB 3.83Å
349	A	96.1	Very high	96.3	Very high	46 Å²	46	36.6 Å²	36.6	38%	0.38	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-30.7	177.4	0	0	0	0	0	113	F319 A345 A346 K351	F319-A349 HydrophobicContact CD1-CB 3.65Å; F319-A349 HydrophobicContact CD2-CB 4.07Å; F319-A349 HydrophobicContact CE1-CB 3.34Å; F319-A349 HydrophobicContact CE2-CB 3.79Å; F319-A349 HydrophobicContact CG-CB 4.01Å; F319-A349 HydrophobicContact CZ-CB 3.42Å; F319-A349 VanDerWaalsContact CZ-CB 3.42Å; A345-A349 PolarHBondContact O-N 3.45Å; A346-A349 PolarHBondContact O-N 3.22Å; A349-K351 PolarHBondContact O-N 3.26Å
350	M	95.4	Very high	96.3	Very high	47 Å²	47	37.1 Å²	37.1	23%	0.232	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4	172.2	-66.2	177.7	77.8	0	0	114.1	F319 E320 L323 A346 L347 M348 Q352	F319-M350 HydrophobicContact CB-CG 3.39Å; F319-M350 HydrophobicContact CB-SD 3.75Å; F319-M350 HydrophobicContact CD2-CG 4.26Å; F319-M350 HydrophobicContact CG-CG 4.07Å; E320-M350 HydrophobicContact CG-CE 3.68Å; L323-M350 HydrophobicContact CD2-SD 4.42Å; A346-M350 VanDerWaalsContact O-CG 3.3Å; A346-M350 WeakPolarHBondContact O-CG 3.42Å; A346-M350 PolarHBondContact O-N 3.44Å; L347-M350 CarbonylContact O-C 3.52Å; L347-M350 PolarHBondContact O-N 3.07Å; M348-M350 VanDerWaalsContact C-N 3.26Å; M348-M350 PolarHBondContact O-N 2.77Å; M350-Q352 VanDerWaalsContact C-N 3.35Å; M350-Q352 HydrophobicContact CB-CG 4.27Å; M350-Q352 PolarHBondContact O-N 3.39Å
351	K	93.1	Very high	96.3	Very high	179 Å²	179	40.4 Å²	40.4	78%	0.778	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	43.7	-175.8	-54.4	-176.5	178.9	-175.1	0	113.1	L347 M348 A349 P353	L347-K351 PolarHBondContact O-N 3.33Å; M348-K351 PolarHBondContact O-N 2.97Å; A349-K351 PolarHBondContact O-N 3.26Å; K351-P353 VanDerWaalsContact O-CD 3.27Å; K351-P353 WeakPolarHBondContact O-CD 3.35Å
352	Q	93.2	Very high	96.2	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	22%	0.218	S	C	.	.			trans	-118	63.5	176.5	-61.1	-178.2	23.6	0	0	110.8	L347 M350 S354 R355 A356	L347-Q352 HydrophobicContact CB-CB 4.49Å; L347-Q352 HydrophobicContact CD2-CB 4.25Å; L347-Q352 PolarHBondContact O-N 2.94Å; M350-Q352 VanDerWaalsContact C-N 3.35Å; M350-Q352 HydrophobicContact CB-CG 4.27Å; M350-Q352 PolarHBondContact O-N 3.39Å; Q352-S354 VanDerWaalsContact C-N 3.35Å; Q352-S354 PolarHBondContact O-N 3.35Å; Q352-R355 HydrophobicContact CB-CB 4.46Å; Q352-R355 PolarHBondContact O-N 2.78Å; Q352-A356 PolarHBondContact O-N 3.02Å
353	P	93.9	Very high	96.2	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-37.9	-171.4	26.6	-36.4	0	0	0	113	M348 K351 R355 A356 M357 A380 A383 F384 E390	M348-P353 HydrophobicContact SD-CB 4.23Å; K351-P353 VanDerWaalsContact O-CD 3.27Å; K351-P353 WeakPolarHBondContact O-CD 3.35Å; P353-R355 VanDerWaalsContact C-N 3.29Å; P353-R355 PolarHBondContact O-N 3.34Å; P353-A356 WeakPolarHBondContact O-CB 3.31Å; P353-A356 PolarHBondContact O-N 3.23Å; P353-A356 VanDerWaalsContact O-N 3.12Å; P353-M357 VanDerWaalsContact O-CG 3.31Å; P353-M357 WeakPolarHBondContact O-CG 3.47Å; P353-M357 PolarHBondContact O-N 3.33Å; P353-A380 WeakPolarHBondContact CB-O 3.24Å; P353-A383 HydrophobicContact CB-CB 3.88Å; P353-A383 HydrophobicContact CG-CB 4.41Å; P353-F384 HydrophobicContact CB-CB 4.01Å; P353-F384 HydrophobicContact CG-CB 4.16Å; P353-F384 HydrophobicContact CG-CD2 4.45Å; P353-E390 VanDerWaalsContact CD-OE2 3.25Å; P353-E390 WeakPolarHBondContact CD-OE2 3.24Å; P353-E390 VanDerWaalsContact CG-OE2 3.24Å; P353-E390 WeakPolarHBondContact CG-OE2 3.36Å
354	S	90.6	Very high	96.2	Very high	21 Å²	21	41.3 Å²	41.3	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-39.7	177.9	-178.8	0	0	0	0	112.5	Q352 E390 K394	Q352-S354 VanDerWaalsContact C-N 3.35Å; Q352-S354 PolarHBondContact O-N 3.35Å; S354-E390 WeakPolarHBondContact CB-OE1 3.17Å; S354-E390 PolarHBondContact N-OE1 3.1Å; S354-K394 WeakPolarHBondContact OG-CE 3.47Å; S354-K394 PolarHBondContact OG-NZ 3.2Å
355	R	94.6	Very high	96.1	Very high	123 Å²	123	48.1 Å²	48.1	46%	0.464	24%	0.24	S	C	.	.	H	α-helix	trans	-76.2	-35	177	-66	177.6	65.7	-168.4	4.5	111.7	L347 Q352 P353 M357 S358 A359	L347-R355 HydrophobicContact CD1-CB 3.89Å; L347-R355 HydrophobicContact CD2-CB 4.03Å; L347-R355 HydrophobicContact CG-CB 4.44Å; Q352-R355 HydrophobicContact CB-CB 4.46Å; Q352-R355 PolarHBondContact O-N 2.78Å; P353-R355 VanDerWaalsContact C-N 3.29Å; P353-R355 PolarHBondContact O-N 3.34Å; R355-M357 VanDerWaalsContact C-N 3.35Å; R355-S358 PolarHBondContact O-N 2.95Å; R355-A359 PolarHBondContact O-N 2.9Å
356	A	97.2	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-42.2	175.7	0	0	0	0	0	111.4	L347 M348 Q352 P353 S358 A359 Y360 A380	L347-A356 HydrophobicContact CB-CB 3.77Å; M348-A356 HydrophobicContact CG-CB 3.66Å; M348-A356 HydrophobicContact SD-CB 3.66Å; Q352-A356 PolarHBondContact O-N 3.02Å; P353-A356 WeakPolarHBondContact O-CB 3.31Å; P353-A356 PolarHBondContact O-N 3.23Å; P353-A356 VanDerWaalsContact O-N 3.12Å; A356-S358 VanDerWaalsContact C-N 3.34Å; A356-S358 PolarHBondContact O-N 3.28Å; A356-A359 WeakPolarHBondContact O-CB 3.47Å; A356-A359 PolarHBondContact O-N 3.46Å; A356-A359 VanDerWaalsContact O-N 3.09Å; A356-Y360 HydrophobicContact CB-CD2 4.44Å; A356-Y360 HydrophobicContact CB-CE2 4.24Å; A356-Y360 WeakPolarHBondContact O-CD2 3.29Å; A356-Y360 PolarHBondContact O-N 3.11Å; A356-A380 HydrophobicContact CB-CB 4.03Å
357	M	95.3	Very high	96.1	Very high	22 Å²	22	52 Å²	52	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-52	-52	173.9	-71	171.7	62.5	0	0	110.8	P353 R355 A359 Y360 E361 L377 A380 M381 F384	P353-M357 VanDerWaalsContact O-CG 3.31Å; P353-M357 WeakPolarHBondContact O-CG 3.47Å; P353-M357 PolarHBondContact O-N 3.33Å; R355-M357 VanDerWaalsContact C-N 3.35Å; M357-A359 VanDerWaalsContact C-N 3.3Å; M357-A359 PolarHBondContact O-N 3.49Å; M357-Y360 PolarHBondContact O-N 2.93Å; M357-Y360 VanDerWaalsContact O-N 3.15Å; M357-E361 WeakPolarHBondContact O-CB 3.49Å; M357-E361 VanDerWaalsContact O-CG 3.31Å; M357-E361 WeakPolarHBondContact O-CG 3.48Å; M357-E361 PolarHBondContact O-N 2.98Å; M357-L377 HydrophobicContact CB-CD1 4.01Å; M357-L377 HydrophobicContact CG-CD1 4.2Å; M357-A380 HydrophobicContact CB-CB 4.43Å; M357-A380 HydrophobicContact CG-CB 3.55Å; M357-M381 HydrophobicContact CE-CG 3.67Å; M357-M381 HydrophobicContact CG-CG 4.3Å; M357-M381 HydrophobicContact SD-CG 4.15Å; M357-F384 HydrophobicContact SD-CB 3.96Å; M357-F384 HydrophobicContact SD-CD1 4.32Å; M357-F384 HydrophobicContact SD-CG 4.1Å
358	S	95.8	Very high	96	Very high	58 Å²	58	56.2 Å²	56.2	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-37.6	178.6	-59.7	0	0	0	0	113.2	R355 A356 E362	R355-S358 PolarHBondContact O-N 2.95Å; A356-S358 VanDerWaalsContact C-N 3.34Å; A356-S358 PolarHBondContact O-N 3.28Å; S358-E362 WeakPolarHBondContact O-CG 3.35Å; S358-E362 PolarHBondContact O-N 2.93Å; S358-E362 VanDerWaalsContact O-N 3.08Å
359	A	97.7	Very high	96	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-41.2	176.3	0	0	0	0	0	112.2	K343 L347 R355 A356 M357 E362 A363	K343-A359 HydrophobicContact CB-CB 4.16Å; K343-A359 HydrophobicContact CD-CB 4.31Å; K343-A359 HydrophobicContact CG-CB 3.9Å; L347-A359 HydrophobicContact CD1-CB 4.36Å; R355-A359 PolarHBondContact O-N 2.9Å; A356-A359 WeakPolarHBondContact O-CB 3.47Å; A356-A359 PolarHBondContact O-N 3.46Å; A356-A359 VanDerWaalsContact O-N 3.09Å; M357-A359 VanDerWaalsContact C-N 3.3Å; M357-A359 PolarHBondContact O-N 3.49Å; A359-E362 PolarHBondContact O-N 3.3Å; A359-A363 PolarHBondContact O-N 3.41Å
360	Y	98.4	Very high	96.1	Very high	12 Å²	12	60.4 Å²	60.4	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-33.4	176	-66.6	-56.3	0	0	0	112.9	L341 G344 A345 M348 A356 M357 A363 M364 G376 A380	L341-Y360 HydrophobicContact CD2-CD1 4.26Å; L341-Y360 HydrophobicContact CD2-CE1 4.41Å; G344-Y360 VanDerWaalsContact C-CZ 3.43Å; G344-Y360 VanDerWaalsContact C-OH 3.26Å; A345-Y360 WeakPolarHBondContact CA-OH 3.42Å; A345-Y360 PolarHBondContact N-OH 3.45Å; M348-Y360 HydrophobicContact CG-CE2 4.06Å; A356-Y360 HydrophobicContact CB-CD2 4.44Å; A356-Y360 HydrophobicContact CB-CE2 4.24Å; A356-Y360 WeakPolarHBondContact O-CD2 3.29Å; A356-Y360 PolarHBondContact O-N 3.11Å; M357-Y360 PolarHBondContact O-N 2.93Å; M357-Y360 VanDerWaalsContact O-N 3.15Å; Y360-A363 WeakPolarHBondContact O-CB 3.47Å; Y360-A363 PolarHBondContact O-N 3.48Å; Y360-M364 WeakPolarHBondContact O-CG 3.48Å; Y360-M364 PolarHBondContact O-N 3.13Å; Y360-G376 VanDerWaalsContact CD2-O 3.26Å; Y360-G376 WeakPolarHBondContact CD2-O 3.22Å; Y360-G376 WeakPolarHBondContact CE2-O 3.31Å; Y360-A380 HydrophobicContact CD2-CB 4.23Å; Y360-A380 HydrophobicContact CE2-CB 4.39Å
361	E	97.3	Very high	96.2	Very high	81 Å²	81	64.3 Å²	64.3	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-43.4	171	-75	168.7	-179.8	0	0	111.3	M357 M364 K365 L377	M357-E361 WeakPolarHBondContact O-CB 3.49Å; M357-E361 VanDerWaalsContact O-CG 3.31Å; M357-E361 WeakPolarHBondContact O-CG 3.48Å; M357-E361 PolarHBondContact O-N 2.98Å; E361-M364 PolarHBondContact O-N 3.3Å; E361-K365 WeakPolarHBondContact O-CG 3.35Å; E361-K365 PolarHBondContact O-N 3.31Å; E361-L377 HydrophobicContact CG-CD1 3.98Å; E361-L377 HydrophobicContact CG-CD2 4.34Å
362	E	97.9	Very high	96.4	Very high	78 Å²	78	61.2 Å²	61.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-40.1	172.8	-68.5	-55	133.8	0	0	111.9	S358 A359 M364 K365 I366	S358-E362 WeakPolarHBondContact O-CG 3.35Å; S358-E362 PolarHBondContact O-N 2.93Å; S358-E362 VanDerWaalsContact O-N 3.08Å; A359-E362 PolarHBondContact O-N 3.3Å; E362-M364 VanDerWaalsContact C-N 3.34Å; E362-M364 PolarHBondContact O-N 2.9Å; E362-K365 WeakPolarHBondContact O-CB 3.39Å; E362-K365 PolarHBondContact O-N 3.11Å; E362-K365 IonicContact OE1-NZ 2.66Å; E362-K365 PolarHBondContact OE1-NZ 2.91Å; E362-K365 IonicContact OE2-NZ 2.75Å; E362-I366 WeakPolarHBondContact O-CG1 3.47Å; E362-I366 PolarHBondContact O-N 3.04Å
363	A	98.1	Very high	96.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-42.2	173.3	0	0	0	0	0	112	L337 H340 L341 A359 Y360 K365 I366 D367 A373	L337-A363 HydrophobicContact CD1-CB 3.77Å; L337-A363 WeakPolarHBondContact CD1-O 3.4Å; H340-A363 HydrophobicContact CB-CB 3.84Å; L341-A363 HydrophobicContact CD2-CB 3.9Å; L341-A363 HydrophobicContact CG-CB 4.27Å; A359-A363 PolarHBondContact O-N 3.41Å; Y360-A363 WeakPolarHBondContact O-CB 3.47Å; Y360-A363 PolarHBondContact O-N 3.48Å; A363-K365 VanDerWaalsContact C-N 3.33Å; A363-K365 PolarHBondContact O-N 3.49Å; A363-I366 WeakPolarHBondContact O-CB 3.27Å; A363-I366 PolarHBondContact O-N 2.86Å; A363-I366 VanDerWaalsContact O-N 3.15Å; A363-D367 PolarHBondContact O-N 3.14Å; A363-A373 HydrophobicContact CB-CB 3.81Å
364	M	96.9	Very high	96.8	Very high	57 Å²	57	64.5 Å²	64.5	28%	0.281	32%	0.315	S	S	.	.	H	α-helix	trans	-68.6	-27.1	176.5	-74.1	-171.2	64.9	0	0	113.4	Y360 E361 E362 I366 D367 P368 A373 L377	Y360-M364 WeakPolarHBondContact O-CG 3.48Å; Y360-M364 PolarHBondContact O-N 3.13Å; E361-M364 PolarHBondContact O-N 3.3Å; E362-M364 VanDerWaalsContact C-N 3.34Å; E362-M364 PolarHBondContact O-N 2.9Å; M364-I366 VanDerWaalsContact C-N 3.29Å; M364-D367 CarbonylContact O-C 3.45Å; M364-P368 VanDerWaalsContact O-CA 3.22Å; M364-P368 WeakPolarHBondContact O-CA 3.49Å; M364-P368 WeakPolarHBondContact O-CD 3.4Å; M364-P368 WeakPolarHBondContact O-CG 3.3Å; M364-P368 VanDerWaalsContact O-N 3.14Å; M364-A373 HydrophobicContact CG-CB 3.76Å; M364-L377 HydrophobicContact SD-CB 4.36Å; M364-L377 HydrophobicContact SD-CD2 3.42Å; M364-L377 WeakPolarHBondContact SD-CD2 3.26Å
365	K	97.2	Very high	97.1	Very high	144 Å²	144	66.1 Å²	66.1	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-67.7	-31.5	170.9	-71.2	171.5	-169.7	171.6	0	112	E361 E362 A363	E361-K365 WeakPolarHBondContact O-CG 3.35Å; E361-K365 PolarHBondContact O-N 3.31Å; E362-K365 WeakPolarHBondContact O-CB 3.39Å; E362-K365 PolarHBondContact O-N 3.11Å; E362-K365 IonicContact OE1-NZ 2.66Å; E362-K365 PolarHBondContact OE1-NZ 2.91Å; E362-K365 IonicContact OE2-NZ 2.75Å; A363-K365 VanDerWaalsContact C-N 3.33Å; A363-K365 PolarHBondContact O-N 3.49Å
366	I	97.5	Very high	97.2	Very high	61 Å²	61	60.4 Å²	60.4	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-79.3	-49.1	179.2	-64.7	163.9	0	0	0	110.8	K335 L337 H340 E362 A363 M364	K335-I366 WeakPolarHBondContact O-CG2 3.42Å; L337-I366 HydrophobicContact CB-CG2 4.16Å; L337-I366 HydrophobicContact CD1-CB 4.27Å; L337-I366 HydrophobicContact CD1-CG2 4.31Å; H340-I366 WeakPolarHBondContact CD2-CD1 3.36Å; E362-I366 WeakPolarHBondContact O-CG1 3.47Å; E362-I366 PolarHBondContact O-N 3.04Å; A363-I366 WeakPolarHBondContact O-CB 3.27Å; A363-I366 PolarHBondContact O-N 2.86Å; A363-I366 VanDerWaalsContact O-N 3.15Å; M364-I366 VanDerWaalsContact C-N 3.29Å
367	D	97.3	Very high	97.2	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.294	31%	0.309	S	S	.	.			trans	-134.3	93.8	176.6	179.1	10.6	0	0	0	110.2	L337 A363 M364 N369 N370	L337-D367 HydrophobicContact CD1-CB 4.25Å; L337-D367 HydrophobicContact CD2-CB 3.89Å; A363-D367 PolarHBondContact O-N 3.14Å; M364-D367 CarbonylContact O-C 3.45Å; D367-N369 PolarHBondContact O-N 2.86Å; D367-N369 VanDerWaalsContact O-N 3.14Å; D367-N369 PolarHBondContact OD1-N 3.21Å; D367-N369 VanDerWaalsContact OD1-N 3.15Å; D367-N370 HydrophobicContact CB-CB 4Å; D367-N370 VanDerWaalsContact O-CB 3.28Å; D367-N370 WeakPolarHBondContact O-CB 3.43Å; D367-N370 PolarHBondContact O-N 3.5Å; D367-N370 VanDerWaalsContact O-N 3.1Å; D367-N370 WeakPolarHBondContact OD2-CB 3.26Å; D367-N370 PolarHBondContact OD2-ND2 3.37Å
368	P	96.7	Very high	97.2	Very high	89 Å²	89	67.7 Å²	67.7	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.3	-179.5	-25.4	34	0	0	0	114.8	M364	M364-P368 VanDerWaalsContact O-CA 3.22Å; M364-P368 WeakPolarHBondContact O-CA 3.49Å; M364-P368 WeakPolarHBondContact O-CD 3.4Å; M364-P368 WeakPolarHBondContact O-CG 3.3Å; M364-P368 VanDerWaalsContact O-N 3.14Å
369	N	96.4	Very high	97.3	Very high	148 Å²	148	69.7 Å²	69.7	79%	0.791	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	4.5	-179.3	-65.6	-40.5	0	0	0	112.5	D367 E371	D367-N369 PolarHBondContact O-N 2.86Å; D367-N369 VanDerWaalsContact O-N 3.14Å; D367-N369 PolarHBondContact OD1-N 3.21Å; D367-N369 VanDerWaalsContact OD1-N 3.15Å; N369-E371 PolarHBondContact O-N 3.33Å
370	N	97.1	Very high	97.2	Very high	29 Å²	29	69.5 Å²	69.5	16%	0.155	33%	0.334	C	S	.	.			trans	-70.3	116.9	-176.9	-165.7	-91.9	0	0	0	112	L337 D367 E372 A373 R374	L337-N370 HydrophobicContact CD2-CB 4.48Å; L337-N370 WeakPolarHBondContact CD2-ND2 3.48Å; D367-N370 HydrophobicContact CB-CB 4Å; D367-N370 VanDerWaalsContact O-CB 3.28Å; D367-N370 WeakPolarHBondContact O-CB 3.43Å; D367-N370 PolarHBondContact O-N 3.5Å; D367-N370 VanDerWaalsContact O-N 3.1Å; D367-N370 WeakPolarHBondContact OD2-CB 3.26Å; D367-N370 PolarHBondContact OD2-ND2 3.37Å; N370-E372 WeakPolarHBondContact OD1-CB 3.46Å; N370-E372 PolarHBondContact OD1-N 3.42Å; N370-A373 HydrophobicContact CB-CB 3.94Å; N370-A373 PolarHBondContact O-N 2.95Å; N370-A373 PolarHBondContact OD1-N 3.5Å; N370-R374 WeakPolarHBondContact O-CB 3.29Å; N370-R374 PolarHBondContact O-N 2.88Å
371	E	97.4	Very high	96.8	Very high	129 Å²	129	72.5 Å²	72.5	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-67.3	-37.1	-178.9	175.5	153.5	-122.1	0	0	113.5	N369 R374 T375	N369-E371 PolarHBondContact O-N 3.33Å; E371-R374 PolarHBondContact O-N 2.99Å; E371-R374 IonicContact OE1-NH2 2.98Å; E371-R374 PolarHBondContact OE1-NH2 3.4Å; E371-T375 VanDerWaalsContact O-CB 3.3Å; E371-T375 WeakPolarHBondContact O-CB 3.49Å; E371-T375 PolarHBondContact O-N 3.49Å; E371-T375 PolarHBondContact O-OG1 3.06Å
372	E	97.2	Very high	96.6	Very high	114 Å²	114	71.2 Å²	71.2	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-44	177.8	-169.2	179	165.5	0	0	110.8	L341 N370 T375 G376	L341-E372 HydrophobicContact CD1-CB 4.34Å; L341-E372 HydrophobicContact CD1-CG 4.4Å; L341-E372 HydrophobicContact CD2-CB 4.18Å; L341-E372 HydrophobicContact CD2-CG 4.16Å; N370-E372 WeakPolarHBondContact OD1-CB 3.46Å; N370-E372 PolarHBondContact OD1-N 3.42Å; E372-T375 PolarHBondContact O-N 2.98Å; E372-G376 PolarHBondContact O-N 3.03Å
373	A	97.6	Very high	96.3	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-46.9	175.7	0	0	0	0	0	111.8	L341 A363 M364 N370 G376 L377	L341-A373 HydrophobicContact CD2-CB 3.67Å; A363-A373 HydrophobicContact CB-CB 3.81Å; M364-A373 HydrophobicContact CG-CB 3.76Å; N370-A373 HydrophobicContact CB-CB 3.94Å; N370-A373 PolarHBondContact O-N 2.95Å; N370-A373 PolarHBondContact OD1-N 3.5Å; A373-G376 PolarHBondContact O-N 3.35Å; A373-L377 VanDerWaalsContact O-CB 3.32Å; A373-L377 WeakPolarHBondContact O-CB 3.41Å; A373-L377 PolarHBondContact O-N 3.2Å
374	R	97.8	Very high	95.7	Very high	129 Å²	129	70.2 Å²	70.2	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-44.5	179.5	175.6	174.8	50.8	83.5	1.6	111.9	N370 E371 Y378	N370-R374 WeakPolarHBondContact O-CB 3.29Å; N370-R374 PolarHBondContact O-N 2.88Å; E371-R374 PolarHBondContact O-N 2.99Å; E371-R374 IonicContact OE1-NH2 2.98Å; E371-R374 PolarHBondContact OE1-NH2 3.4Å; R374-Y378 PolarHBondContact O-N 3.21Å; R374-Y378 VanDerWaalsContact O-N 3.09Å
375	T	97.8	Very high	95	Very high	54 Å²	54	72.6 Å²	72.6	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-46.9	179	-54.5	0	0	0	0	110.5	E371 E372 L377 Y378 E379	E371-T375 VanDerWaalsContact O-CB 3.3Å; E371-T375 WeakPolarHBondContact O-CB 3.49Å; E371-T375 PolarHBondContact O-N 3.49Å; E371-T375 PolarHBondContact O-OG1 3.06Å; E372-T375 PolarHBondContact O-N 2.98Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 3.36Å; T375-Y378 PolarHBondContact O-N 2.85Å; T375-E379 WeakPolarHBondContact O-CG 3.01Å; T375-E379 PolarHBondContact O-N 3.41Å
376	G	97.4	Very high	94.3	Very high	3 Å²	3	73.4 Å²	73.4	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-39	176.6	0	0	0	0	0	113.1	Y360 E372 A373 E379 A380	Y360-G376 VanDerWaalsContact CD2-O 3.26Å; Y360-G376 WeakPolarHBondContact CD2-O 3.22Å; Y360-G376 WeakPolarHBondContact CE2-O 3.31Å; E372-G376 PolarHBondContact O-N 3.03Å; A373-G376 PolarHBondContact O-N 3.35Å; G376-E379 PolarHBondContact O-N 3.44Å; G376-A380 VanDerWaalsContact O-CB 3.24Å; G376-A380 WeakPolarHBondContact O-CB 3.45Å; G376-A380 PolarHBondContact O-N 2.69Å
377	L	96.9	Very high	93.4	Very high	25 Å²	25	73.2 Å²	73.2	13%	0.131	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-46.1	174.4	-177.9	59	0	0	0	111.3	M357 E361 M364 A373 T375 A380 M381	M357-L377 HydrophobicContact CB-CD1 4.01Å; M357-L377 HydrophobicContact CG-CD1 4.2Å; E361-L377 HydrophobicContact CG-CD1 3.98Å; E361-L377 HydrophobicContact CG-CD2 4.34Å; M364-L377 HydrophobicContact SD-CB 4.36Å; M364-L377 HydrophobicContact SD-CD2 3.42Å; M364-L377 WeakPolarHBondContact SD-CD2 3.26Å; A373-L377 VanDerWaalsContact O-CB 3.32Å; A373-L377 WeakPolarHBondContact O-CB 3.41Å; A373-L377 PolarHBondContact O-N 3.2Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 3.36Å; L377-A380 PolarHBondContact O-N 3.47Å; L377-M381 HydrophobicContact CD1-CG 4.38Å; L377-M381 HydrophobicContact CD1-SD 4.47Å; L377-M381 HydrophobicContact CG-SD 4.16Å; L377-M381 WeakPolarHBondContact O-CB 3.47Å; L377-M381 VanDerWaalsContact O-CG 3.27Å; L377-M381 WeakPolarHBondContact O-CG 3.45Å; L377-M381 PolarHBondContact O-N 2.88Å
378	Y	95.8	Very high	92.3	Very high	150 Å²	150	74 Å²	74	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-61.6	-44.4	177.2	178.7	-102.3	0	0	0	112.2	R374 T375 A380 M381 N382	R374-Y378 PolarHBondContact O-N 3.21Å; R374-Y378 VanDerWaalsContact O-N 3.09Å; T375-Y378 PolarHBondContact O-N 2.85Å; Y378-A380 VanDerWaalsContact C-N 3.35Å; Y378-A380 PolarHBondContact O-N 3.45Å; Y378-M381 PolarHBondContact O-N 2.93Å; Y378-N382 WeakPolarHBondContact CD1-ND2 3.42Å; Y378-N382 WeakPolarHBondContact CE1-ND2 3.36Å; Y378-N382 VanDerWaalsContact O-CG 3.3Å; Y378-N382 PolarHBondContact O-N 2.85Å; Y378-N382 PolarHBondContact O-ND2 3.41Å
379	E	96.3	Very high	91.3	Very high	101 Å²	101	77.4 Å²	77.4	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175	-71.7	175.7	179.2	0	0	111.9	M348 T375 G376 N382 A383	M348-E379 HydrophobicContact CE-CB 4.15Å; T375-E379 WeakPolarHBondContact O-CG 3.01Å; T375-E379 PolarHBondContact O-N 3.41Å; G376-E379 PolarHBondContact O-N 3.44Å; E379-N382 PolarHBondContact O-N 3.3Å; E379-A383 VanDerWaalsContact O-CB 3.32Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.93Å
380	A	95.5	Very high	90.3	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-38.5	177.6	0	0	0	0	0	112.2	M348 P353 A356 M357 Y360 G376 L377 Y378 F384	M348-A380 HydrophobicContact CE-CB 4.34Å; M348-A380 VanDerWaalsContact SD-CA 3.51Å; M348-A380 HydrophobicContact SD-CB 3.53Å; M348-A380 VanDerWaalsContact SD-CB 3.53Å; P353-A380 WeakPolarHBondContact CB-O 3.24Å; A356-A380 HydrophobicContact CB-CB 4.03Å; M357-A380 HydrophobicContact CB-CB 4.43Å; M357-A380 HydrophobicContact CG-CB 3.55Å; Y360-A380 HydrophobicContact CD2-CB 4.23Å; Y360-A380 HydrophobicContact CE2-CB 4.39Å; G376-A380 VanDerWaalsContact O-CB 3.24Å; G376-A380 WeakPolarHBondContact O-CB 3.45Å; G376-A380 PolarHBondContact O-N 2.69Å; L377-A380 PolarHBondContact O-N 3.47Å; Y378-A380 VanDerWaalsContact C-N 3.35Å; Y378-A380 PolarHBondContact O-N 3.45Å; A380-F384 VanDerWaalsContact O-CB 3.28Å; A380-F384 WeakPolarHBondContact O-CB 3.43Å; A380-F384 PolarHBondContact O-N 3.34Å
381	M	91.7	Very high	89.3	Confident	76 Å²	76	72 Å²	72	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-49.9	173.5	-74.7	175.8	68.5	0	0	111.6	M357 L377 Y378 A383 F384 E385	M357-M381 HydrophobicContact CE-CG 3.67Å; M357-M381 HydrophobicContact CG-CG 4.3Å; M357-M381 HydrophobicContact SD-CG 4.15Å; L377-M381 HydrophobicContact CD1-CG 4.38Å; L377-M381 HydrophobicContact CD1-SD 4.47Å; L377-M381 HydrophobicContact CG-SD 4.16Å; L377-M381 WeakPolarHBondContact O-CB 3.47Å; L377-M381 VanDerWaalsContact O-CG 3.27Å; L377-M381 WeakPolarHBondContact O-CG 3.45Å; L377-M381 PolarHBondContact O-N 2.88Å; Y378-M381 PolarHBondContact O-N 2.93Å; M381-A383 PolarHBondContact O-N 3.33Å; M381-F384 WeakPolarHBondContact O-CB 3.47Å; M381-F384 PolarHBondContact O-N 3.2Å; M381-E385 WeakPolarHBondContact O-CG 3.44Å; M381-E385 PolarHBondContact O-N 2.92Å
382	N	91.7	Very high	88.4	Confident	53 Å²	53	73.7 Å²	73.7	28%	0.283	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-44.8	178.4	-66.5	-25.2	0	0	0	111.6	Y378 E379 F384 E385 E386	Y378-N382 WeakPolarHBondContact CD1-ND2 3.42Å; Y378-N382 WeakPolarHBondContact CE1-ND2 3.36Å; Y378-N382 VanDerWaalsContact O-CG 3.3Å; Y378-N382 PolarHBondContact O-N 2.85Å; Y378-N382 PolarHBondContact O-ND2 3.41Å; E379-N382 PolarHBondContact O-N 3.3Å; N382-F384 VanDerWaalsContact C-N 3.28Å; N382-F384 PolarHBondContact O-N 3.3Å; N382-E385 PolarHBondContact O-N 3.41Å; N382-E386 WeakPolarHBondContact O-CB 3.38Å; N382-E386 WeakPolarHBondContact O-CG 3.42Å; N382-E386 PolarHBondContact O-N 3.2Å
383	A	91.2	Very high	87.7	Confident	31 Å²	31	75.2 Å²	75.2	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-32.1	177.8	0	0	0	0	0	112.8	M348 P353 E379 M381 N387	M348-A383 HydrophobicContact CE-CB 3.83Å; P353-A383 HydrophobicContact CB-CB 3.88Å; P353-A383 HydrophobicContact CG-CB 4.41Å; E379-A383 VanDerWaalsContact O-CB 3.32Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.93Å; M381-A383 PolarHBondContact O-N 3.33Å; A383-N387 PolarHBondContact O-N 2.87Å
384	F	86.8	Confident	86.8	Confident	27 Å²	27	79 Å²	79	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-45.1	172.9	-178.7	-106.6	0	0	0	111.2	P353 M357 A380 M381 N382 E386 N387 E390 M391 K394	P353-F384 HydrophobicContact CB-CB 4.01Å; P353-F384 HydrophobicContact CG-CB 4.16Å; P353-F384 HydrophobicContact CG-CD2 4.45Å; M357-F384 HydrophobicContact SD-CB 3.96Å; M357-F384 HydrophobicContact SD-CD1 4.32Å; M357-F384 HydrophobicContact SD-CG 4.1Å; A380-F384 VanDerWaalsContact O-CB 3.28Å; A380-F384 WeakPolarHBondContact O-CB 3.43Å; A380-F384 PolarHBondContact O-N 3.34Å; M381-F384 WeakPolarHBondContact O-CB 3.47Å; M381-F384 PolarHBondContact O-N 3.2Å; N382-F384 VanDerWaalsContact C-N 3.28Å; N382-F384 PolarHBondContact O-N 3.3Å; F384-E386 VanDerWaalsContact C-N 3.31Å; F384-E386 PolarHBondContact O-N 2.95Å; F384-N387 PolarHBondContact O-N 3.24Å; F384-N387 VanDerWaalsContact O-N 3.09Å; F384-E390 HydrophobicContact CD2-CG 4.21Å; F384-E390 HydrophobicContact CE2-CB 4.35Å; F384-E390 HydrophobicContact CE2-CG 3.96Å; F384-M391 HydrophobicContact CD1-CG 3.89Å; F384-M391 HydrophobicContact CD1-SD 4.26Å; F384-M391 HydrophobicContact CE1-CB 4.41Å; F384-M391 HydrophobicContact CE1-CG 3.59Å; F384-M391 HydrophobicContact CE1-SD 4.1Å; F384-M391 HydrophobicContact CE2-CG 4.32Å; F384-M391 HydrophobicContact CG-CG 4.37Å; F384-M391 HydrophobicContact CZ-CB 4.27Å; F384-M391 HydrophobicContact CZ-CG 3.82Å; F384-M391 VanDerWaalsContact O-CG 3.24Å; F384-M391 WeakPolarHBondContact O-CG 3.32Å; F384-K394 HydrophobicContact CE1-CD 4.34Å; F384-K394 HydrophobicContact CE2-CB 4.38Å; F384-K394 HydrophobicContact CE2-CD 3.84Å; F384-K394 HydrophobicContact CZ-CB 4.02Å; F384-K394 HydrophobicContact CZ-CD 3.44Å; F384-K394 VanDerWaalsContact CZ-CD 3.44Å; F384-K394 HydrophobicContact CZ-CG 4.35Å
385	E	82.2	Confident	86.1	Confident	107 Å²	107	73.2 Å²	73.2	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-32.4	177.4	-71.7	-179.7	-167.3	0	0	113.4	M381 N382 N387 M391	M381-E385 WeakPolarHBondContact O-CG 3.44Å; M381-E385 PolarHBondContact O-N 2.92Å; N382-E385 PolarHBondContact O-N 3.41Å; E385-N387 PolarHBondContact O-N 3.19Å; E385-M391 HydrophobicContact CG-SD 4.37Å; E385-M391 WeakPolarHBondContact O-CE 3.43Å
386	E	82.1	Confident	85.4	Confident	161 Å²	161	73.5 Å²	73.5	75%	0.752	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.1	174.3	-73.4	-178.9	176.8	0	0	113.7	N382 F384 P388	N382-E386 WeakPolarHBondContact O-CB 3.38Å; N382-E386 WeakPolarHBondContact O-CG 3.42Å; N382-E386 PolarHBondContact O-N 3.2Å; F384-E386 VanDerWaalsContact C-N 3.31Å; F384-E386 PolarHBondContact O-N 2.95Å; E386-P388 WeakPolarHBondContact O-CD 3.44Å
387	N	77.6	Confident	84.9	Confident	56 Å²	56	79.9 Å²	79.9	30%	0.299	38%	0.376	S	S	.	.			trans	-112.6	83.4	177.7	-168.5	-5.7	0	0	0	112.4	A383 F384 E385 E389 E390 M391	A383-N387 PolarHBondContact O-N 2.87Å; F384-N387 PolarHBondContact O-N 3.24Å; F384-N387 VanDerWaalsContact O-N 3.09Å; E385-N387 PolarHBondContact O-N 3.19Å; N387-E389 PolarHBondContact O-N 2.97Å; N387-E389 VanDerWaalsContact O-N 3.12Å; N387-E390 HydrophobicContact CB-CB 4.2Å; N387-E390 PolarHBondContact ND2-OE2 3.5Å; N387-E390 VanDerWaalsContact ND2-OE2 3.15Å; N387-E390 PolarHBondContact O-N 3.41Å; N387-E390 VanDerWaalsContact O-N 3.14Å; N387-M391 PolarHBondContact O-N 3.1Å
388	P	74.4	Confident	84.4	Confident	71 Å²	71	81.9 Å²	81.9	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-56.5	-30.2	-178.2	-26	32.7	0	0	0	114.6	E386 R392	E386-P388 WeakPolarHBondContact O-CD 3.44Å; P388-R392 WeakPolarHBondContact O-CB 3.45Å; P388-R392 PolarHBondContact O-N 3.02Å
389	E	76.9	Confident	84.1	Confident	161 Å²	161	78.4 Å²	78.4	75%	0.752	38%	0.383	S	S	*	.	H	α-helix	trans	-69.4	-43.5	179.6	-66.3	-171.6	168.1	0	0	111.6	N387 R392 K393	N387-E389 PolarHBondContact O-N 2.97Å; N387-E389 VanDerWaalsContact O-N 3.12Å; E389-R392 PolarHBondContact O-N 3.22Å; E389-K393 WeakPolarHBondContact O-CB 3.46Å; E389-K393 PolarHBondContact O-N 2.97Å
390	E	75.7	Confident	83.8	Confident	40 Å²	40	78.3 Å²	78.3	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-70.6	-41	178.7	-162.4	179.8	164.6	0	0	111.2	P353 S354 F384 N387 R392 K393 K394	P353-E390 VanDerWaalsContact CD-OE2 3.25Å; P353-E390 WeakPolarHBondContact CD-OE2 3.24Å; P353-E390 VanDerWaalsContact CG-OE2 3.24Å; P353-E390 WeakPolarHBondContact CG-OE2 3.36Å; S354-E390 WeakPolarHBondContact CB-OE1 3.17Å; S354-E390 PolarHBondContact N-OE1 3.1Å; F384-E390 HydrophobicContact CD2-CG 4.21Å; F384-E390 HydrophobicContact CE2-CB 4.35Å; F384-E390 HydrophobicContact CE2-CG 3.96Å; N387-E390 HydrophobicContact CB-CB 4.2Å; N387-E390 PolarHBondContact ND2-OE2 3.5Å; N387-E390 VanDerWaalsContact ND2-OE2 3.15Å; N387-E390 PolarHBondContact O-N 3.41Å; N387-E390 VanDerWaalsContact O-N 3.14Å; E390-R392 PolarHBondContact O-N 3.49Å; E390-K393 PolarHBondContact O-N 2.82Å; E390-K394 WeakPolarHBondContact O-CB 3.13Å; E390-K394 PolarHBondContact O-N 3.4Å
391	M	75.7	Confident	83.6	Confident	25 Å²	25	78.4 Å²	78.4	12%	0.123	38%	0.383	C	S	.	.	H	α-helix	trans	-56.2	-50.6	170.2	-72.8	-144.2	-73.5	0	0	111.3	F384 E385 N387 K393 K394 A395	F384-M391 HydrophobicContact CD1-CG 3.89Å; F384-M391 HydrophobicContact CD1-SD 4.26Å; F384-M391 HydrophobicContact CE1-CB 4.41Å; F384-M391 HydrophobicContact CE1-CG 3.59Å; F384-M391 HydrophobicContact CE1-SD 4.1Å; F384-M391 HydrophobicContact CE2-CG 4.32Å; F384-M391 HydrophobicContact CG-CG 4.37Å; F384-M391 HydrophobicContact CZ-CB 4.27Å; F384-M391 HydrophobicContact CZ-CG 3.82Å; F384-M391 VanDerWaalsContact O-CG 3.24Å; F384-M391 WeakPolarHBondContact O-CG 3.32Å; E385-M391 HydrophobicContact CG-SD 4.37Å; E385-M391 WeakPolarHBondContact O-CE 3.43Å; N387-M391 PolarHBondContact O-N 3.1Å; M391-K393 VanDerWaalsContact C-N 3.33Å; M391-K393 PolarHBondContact O-N 3.3Å; M391-K394 PolarHBondContact O-N 3.35Å; M391-A395 WeakPolarHBondContact O-CB 3.46Å; M391-A395 PolarHBondContact O-N 3.47Å
392	R	78.2	Confident	83.6	Confident	163 Å²	163	81.4 Å²	81.4	62%	0.615	39%	0.39	S	S	*	.	H	α-helix	trans	-60.7	-43.1	179.2	-176.9	175.1	-177.4	169.2	2.2	111.7	P388 E389 E390 A395 M396 I445	P388-R392 WeakPolarHBondContact O-CB 3.45Å; P388-R392 PolarHBondContact O-N 3.02Å; E389-R392 PolarHBondContact O-N 3.22Å; E390-R392 PolarHBondContact O-N 3.49Å; R392-A395 PolarHBondContact O-N 3.07Å; R392-M396 WeakPolarHBondContact O-CG 3.44Å; R392-M396 PolarHBondContact O-N 2.79Å; R392-I445 HydrophobicContact CB-CD1 4.2Å; R392-I445 HydrophobicContact CG-CD1 3.85Å
393	K	82.1	Confident	83.7	Confident	147 Å²	147	83.9 Å²	83.9	64%	0.639	40%	0.403	S	S	*	.	H	α-helix	trans	-61.8	-49.3	178.3	-173.8	-179.3	176.1	-175.1	0	111.3	E389 E390 M391 A395 M396 E397	E389-K393 WeakPolarHBondContact O-CB 3.46Å; E389-K393 PolarHBondContact O-N 2.97Å; E390-K393 PolarHBondContact O-N 2.82Å; M391-K393 VanDerWaalsContact C-N 3.33Å; M391-K393 PolarHBondContact O-N 3.3Å; K393-A395 VanDerWaalsContact C-N 3.34Å; K393-A395 PolarHBondContact O-N 2.92Å; K393-M396 PolarHBondContact O-N 3.28Å; K393-E397 PolarHBondContact O-N 2.84Å
394	K	78.9	Confident	83.8	Confident	78 Å²	78	83 Å²	83	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-40.3	178	-166.7	177.8	-170.7	168.7	0	111.6	S354 F384 E390 M391 M396 E397	S354-K394 WeakPolarHBondContact OG-CE 3.47Å; S354-K394 PolarHBondContact OG-NZ 3.2Å; F384-K394 HydrophobicContact CE1-CD 4.34Å; F384-K394 HydrophobicContact CE2-CB 4.38Å; F384-K394 HydrophobicContact CE2-CD 3.84Å; F384-K394 HydrophobicContact CZ-CB 4.02Å; F384-K394 HydrophobicContact CZ-CD 3.44Å; F384-K394 VanDerWaalsContact CZ-CD 3.44Å; F384-K394 HydrophobicContact CZ-CG 4.35Å; E390-K394 WeakPolarHBondContact O-CB 3.13Å; E390-K394 PolarHBondContact O-N 3.4Å; M391-K394 PolarHBondContact O-N 3.35Å; K394-M396 VanDerWaalsContact C-N 3.31Å; K394-M396 PolarHBondContact O-N 3.38Å; K394-E397 WeakPolarHBondContact O-CB 3.46Å; K394-E397 PolarHBondContact O-N 3.45Å
395	A	82.9	Confident	84	Confident	9 Å²	9	83.5 Å²	83.5	7%	0.074	40%	0.398	C	S	.	.	H	α-helix	trans	-62	-36	174.7	0	0	0	0	0	112.7	M391 R392 K393 E397 N398 V401 A443 I445	M391-A395 WeakPolarHBondContact O-CB 3.46Å; M391-A395 PolarHBondContact O-N 3.47Å; R392-A395 PolarHBondContact O-N 3.07Å; K393-A395 VanDerWaalsContact C-N 3.34Å; K393-A395 PolarHBondContact O-N 2.92Å; A395-E397 PolarHBondContact O-N 2.82Å; A395-N398 WeakPolarHBondContact O-CB 3.5Å; A395-N398 PolarHBondContact O-N 3.29Å; A395-N398 VanDerWaalsContact O-N 3.15Å; A395-V401 HydrophobicContact CB-CG1 4.36Å; A395-V401 VanDerWaalsContact O-CB 3.32Å; A395-V401 WeakPolarHBondContact O-CB 3.38Å; A395-V401 WeakPolarHBondContact O-CG1 3.4Å; A395-A443 HydrophobicContact CB-CB 3.8Å; A395-A443 VanDerWaalsContact CB-O 3.26Å; A395-A443 WeakPolarHBondContact CB-O 3.43Å; A395-I445 HydrophobicContact CB-CD1 3.51Å; A395-I445 HydrophobicContact CB-CG1 3.87Å
396	M	84.3	Confident	84.5	Confident	59 Å²	59	82 Å²	82	29%	0.291	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.9	174.1	-70.2	-50.2	101.3	0	0	113.5	R392 K393 K394 N398 V401 R402 L405 I445	R392-M396 WeakPolarHBondContact O-CG 3.44Å; R392-M396 PolarHBondContact O-N 2.79Å; K393-M396 PolarHBondContact O-N 3.28Å; K394-M396 VanDerWaalsContact C-N 3.31Å; K394-M396 PolarHBondContact O-N 3.38Å; M396-N398 VanDerWaalsContact C-N 3.32Å; M396-V401 HydrophobicContact CE-CG1 3.58Å; M396-R402 WeakPolarHBondContact O-CD 3.42Å; M396-R402 WeakPolarHBondContact O-CG 3.32Å; M396-L405 HydrophobicContact CE-CD1 3.28Å; M396-L405 HydrophobicContact SD-CD1 3.73Å; M396-I445 HydrophobicContact CE-CD1 3.34Å; M396-I445 HydrophobicContact CE-CG1 4.03Å
397	E	86.1	Confident	85	Confident	138 Å²	138	76.5 Å²	76.5	65%	0.645	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-20.7	172.7	-62.4	174.5	172.9	0	0	111.7	K393 K394 A395 P399	K393-E397 PolarHBondContact O-N 2.84Å; K394-E397 WeakPolarHBondContact O-CB 3.46Å; K394-E397 PolarHBondContact O-N 3.45Å; A395-E397 PolarHBondContact O-N 2.82Å; E397-P399 WeakPolarHBondContact O-CD 3.45Å
398	N	85.6	Confident	85.8	Confident	67 Å²	67	78.6 Å²	78.6	36%	0.358	40%	0.396	S	S	.	.	S	Bend	trans	-76.7	117.6	174.3	-175.1	-21.4	0	0	0	110.4	A395 M396 E400 V401 R402	A395-N398 WeakPolarHBondContact O-CB 3.5Å; A395-N398 PolarHBondContact O-N 3.29Å; A395-N398 VanDerWaalsContact O-N 3.15Å; M396-N398 VanDerWaalsContact C-N 3.32Å; N398-E400 VanDerWaalsContact C-N 3.25Å; N398-E400 PolarHBondContact O-N 2.7Å; N398-E400 WeakPolarHBondContact OD1-CB 3.49Å; N398-E400 PolarHBondContact OD1-N 3.38Å; N398-V401 HydrophobicContact CB-CB 4.17Å; N398-V401 HydrophobicContact CB-CG2 3.91Å; N398-V401 PolarHBondContact O-N 3.1Å; N398-R402 PolarHBondContact O-N 2.83Å; N398-R402 VanDerWaalsContact O-N 3.15Å
399	P	90	Very high	86.6	Confident	76 Å²	76	78 Å²	78	49%	0.494	40%	0.397	S	S	.	.	H	α-helix	trans	-56.4	-37.5	179.1	-24.8	34.9	0	0	0	113.3	E397 V401 R402 D403	E397-P399 WeakPolarHBondContact O-CD 3.45Å; P399-V401 PolarHBondContact O-N 3.04Å; P399-R402 WeakPolarHBondContact O-CB 3.16Å; P399-R402 PolarHBondContact O-N 2.82Å; P399-D403 WeakPolarHBondContact O-CB 3.21Å; P399-D403 PolarHBondContact O-N 3.26Å
400	E	90.5	Very high	87.4	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-41.6	-180	-59.4	-168.7	150.1	0	0	111.9	N398 R402 D403 I404 K439	N398-E400 VanDerWaalsContact C-N 3.25Å; N398-E400 PolarHBondContact O-N 2.7Å; N398-E400 WeakPolarHBondContact OD1-CB 3.49Å; N398-E400 PolarHBondContact OD1-N 3.38Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-D403 PolarHBondContact O-N 3.43Å; E400-I404 WeakPolarHBondContact O-CD1 3.43Å; E400-I404 WeakPolarHBondContact O-CG1 3.44Å; E400-I404 PolarHBondContact O-N 2.98Å; E400-K439 VanDerWaalsContact CD-NZ 3.26Å; E400-K439 IonicContact OE1-NZ 3.34Å; E400-K439 PolarHBondContact OE1-NZ 2.94Å; E400-K439 IonicContact OE2-NZ 2.69Å; E400-K439 PolarHBondContact OE2-NZ 3.37Å
401	V	90.6	Very high	88.2	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.012	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-42.9	177.3	171.4	0	0	0	0	110.2	A395 M396 N398 P399 I404 L405 L440 A443 I445	A395-V401 HydrophobicContact CB-CG1 4.36Å; A395-V401 VanDerWaalsContact O-CB 3.32Å; A395-V401 WeakPolarHBondContact O-CB 3.38Å; A395-V401 WeakPolarHBondContact O-CG1 3.4Å; M396-V401 HydrophobicContact CE-CG1 3.58Å; N398-V401 HydrophobicContact CB-CB 4.17Å; N398-V401 HydrophobicContact CB-CG2 3.91Å; N398-V401 PolarHBondContact O-N 3.1Å; P399-V401 PolarHBondContact O-N 3.04Å; V401-I404 PolarHBondContact O-N 3.29Å; V401-L405 HydrophobicContact CG1-CD1 4.33Å; V401-L405 WeakPolarHBondContact O-CG 3.49Å; V401-L405 PolarHBondContact O-N 2.69Å; V401-L440 HydrophobicContact CG1-CD2 4.02Å; V401-A443 HydrophobicContact CG2-CB 3.7Å; V401-I445 HydrophobicContact CG1-CG1 3.99Å
402	R	91.8	Very high	88.9	Confident	140 Å²	140	75.1 Å²	75.1	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-45.3	175.5	-74.9	171.8	30.4	-178.6	-9	112.1	M396 N398 P399 E400 I404 L405 A406	M396-R402 WeakPolarHBondContact O-CD 3.42Å; M396-R402 WeakPolarHBondContact O-CG 3.32Å; N398-R402 PolarHBondContact O-N 2.83Å; N398-R402 VanDerWaalsContact O-N 3.15Å; P399-R402 WeakPolarHBondContact O-CB 3.16Å; P399-R402 PolarHBondContact O-N 2.82Å; E400-R402 VanDerWaalsContact C-N 3.33Å; R402-I404 VanDerWaalsContact C-N 3.3Å; R402-I404 PolarHBondContact O-N 3.35Å; R402-L405 PolarHBondContact O-N 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.25Å; R402-A406 PolarHBondContact O-N 3.29Å
403	D	93.8	Very high	89.4	Confident	105 Å²	105	68.1 Å²	68.1	56%	0.561	37%	0.366	S	S	*	.	H	α-helix	trans	-65.2	-37.7	-178.8	-68.2	-13.9	0	0	0	111	P399 E400 A406 D407	P399-D403 WeakPolarHBondContact O-CB 3.21Å; P399-D403 PolarHBondContact O-N 3.26Å; E400-D403 PolarHBondContact O-N 3.43Å; D403-A406 PolarHBondContact O-N 3.45Å; D403-D407 PolarHBondContact O-N 2.88Å
404	I	93	Very high	89.7	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.056	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-43.3	173.5	-67.8	166.7	0	0	0	111.2	E400 V401 R402 A406 D407 M410 K436 K439 L440	E400-I404 WeakPolarHBondContact O-CD1 3.43Å; E400-I404 WeakPolarHBondContact O-CG1 3.44Å; E400-I404 PolarHBondContact O-N 2.98Å; V401-I404 PolarHBondContact O-N 3.29Å; R402-I404 VanDerWaalsContact C-N 3.3Å; R402-I404 PolarHBondContact O-N 3.35Å; I404-A406 VanDerWaalsContact C-N 3.34Å; I404-D407 PolarHBondContact O-N 2.95Å; I404-M410 HydrophobicContact CG2-CG 3.74Å; I404-M410 HydrophobicContact CG2-SD 4.45Å; I404-M410 WeakPolarHBondContact O-CB 3.46Å; I404-K436 HydrophobicContact CD1-CB 4.21Å; I404-K436 HydrophobicContact CD1-CG 4.19Å; I404-K436 HydrophobicContact CG1-CB 4.3Å; I404-K436 HydrophobicContact CG1-CD 4.34Å; I404-K436 HydrophobicContact CG1-CG 3.98Å; I404-K436 HydrophobicContact CG2-CB 3.97Å; I404-K436 HydrophobicContact CG2-CD 4.36Å; I404-K436 HydrophobicContact CG2-CG 4.34Å; I404-K439 HydrophobicContact CD1-CB 3.91Å; I404-K439 HydrophobicContact CD1-CD 3.94Å; I404-L440 HydrophobicContact CB-CD2 4.33Å; I404-L440 HydrophobicContact CG2-CD1 3.71Å; I404-L440 HydrophobicContact CG2-CD2 3.89Å; I404-L440 HydrophobicContact CG2-CG 3.8Å
405	L	90.9	Very high	90.2	Very high	39 Å²	39	63.3 Å²	63.3	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-77.4	-18.4	179.4	-67.7	179.4	0	0	0	113.9	M396 V401 R402 M411 L414 L440 I445	M396-L405 HydrophobicContact CE-CD1 3.28Å; M396-L405 HydrophobicContact SD-CD1 3.73Å; V401-L405 HydrophobicContact CG1-CD1 4.33Å; V401-L405 WeakPolarHBondContact O-CG 3.49Å; V401-L405 PolarHBondContact O-N 2.69Å; R402-L405 PolarHBondContact O-N 3.31Å; L405-M411 HydrophobicContact CD2-SD 4.14Å; L405-M411 VanDerWaalsContact O-CG 3.29Å; L405-M411 WeakPolarHBondContact O-CG 3.37Å; L405-M411 VanDerWaalsContact O-SD 3.37Å; L405-L414 HydrophobicContact CD2-CD1 3.82Å; L405-L440 HydrophobicContact CD2-CD1 4.17Å; L405-L440 HydrophobicContact CD2-CD2 3.99Å; L405-L440 HydrophobicContact CG-CD2 4.04Å; L405-I445 HydrophobicContact CD1-CG2 4.3Å; L405-I445 HydrophobicContact CD2-CG2 4.31Å
406	A	92.5	Very high	90.4	Very high	74 Å²	74	67.2 Å²	67.2	61%	0.612	37%	0.365	S	S	*	.	H	α-helix	trans	-80.6	-18.9	174.4	0	0	0	0	0	112.7	R402 D403 I404 P408	R402-A406 WeakPolarHBondContact O-CB 3.25Å; R402-A406 PolarHBondContact O-N 3.29Å; D403-A406 PolarHBondContact O-N 3.45Å; I404-A406 VanDerWaalsContact C-N 3.34Å; A406-P408 VanDerWaalsContact O-CD 3.23Å; A406-P408 WeakPolarHBondContact O-CD 3.49Å
407	D	93.8	Very high	90.4	Very high	47 Å²	47	65.9 Å²	65.9	25%	0.251	36%	0.358	S	S	.	.			trans	-71.1	112.7	178.1	-178.6	-11	0	0	0	110.9	D403 I404 A409 M410 M411 K436	D403-D407 PolarHBondContact O-N 2.88Å; I404-D407 PolarHBondContact O-N 2.95Å; D407-A409 PolarHBondContact O-N 2.82Å; D407-A409 WeakPolarHBondContact OD1-CB 3.28Å; D407-A409 PolarHBondContact OD1-N 3.17Å; D407-M410 HydrophobicContact CB-CB 3.87Å; D407-M410 WeakPolarHBondContact O-CB 3.31Å; D407-M410 PolarHBondContact O-N 3.31Å; D407-M411 PolarHBondContact O-N 3.01Å; D407-K436 IonicContact OD2-NZ 2.69Å; D407-K436 PolarHBondContact OD2-NZ 2.99Å
408	P	93.7	Very high	90.3	Very high	100 Å²	100	64.9 Å²	64.9	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-32.1	-178.5	-23.8	35.2	0	0	0	113.5	A406 M410 M411 C412	A406-P408 VanDerWaalsContact O-CD 3.23Å; A406-P408 WeakPolarHBondContact O-CD 3.49Å; P408-M410 VanDerWaalsContact C-N 3.34Å; P408-M411 PolarHBondContact O-N 2.6Å; P408-C412 PolarHBondContact O-N 3.29Å
409	A	92.1	Very high	90.2	Very high	59 Å²	59	68.9 Å²	68.9	49%	0.488	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-40.5	176.9	0	0	0	0	0	110.5	D407 C412 I413	D407-A409 PolarHBondContact O-N 2.82Å; D407-A409 WeakPolarHBondContact OD1-CB 3.28Å; D407-A409 PolarHBondContact OD1-N 3.17Å; A409-C412 PolarHBondContact O-N 3.08Å; A409-I413 WeakPolarHBondContact O-CD1 3.36Å; A409-I413 VanDerWaalsContact O-CG1 3.28Å; A409-I413 WeakPolarHBondContact O-CG1 3.47Å; A409-I413 PolarHBondContact O-N 2.72Å
410	M	93.1	Very high	89.9	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-40.9	176.1	-163.5	68.4	-141.8	0	0	111.6	I404 D407 P408 C412 I413 L414 I433 K436 I437	I404-M410 HydrophobicContact CG2-CG 3.74Å; I404-M410 HydrophobicContact CG2-SD 4.45Å; I404-M410 WeakPolarHBondContact O-CB 3.46Å; D407-M410 HydrophobicContact CB-CB 3.87Å; D407-M410 WeakPolarHBondContact O-CB 3.31Å; D407-M410 PolarHBondContact O-N 3.31Å; P408-M410 VanDerWaalsContact C-N 3.34Å; M410-C412 PolarHBondContact O-N 3.29Å; M410-I413 HydrophobicContact CE-CB 4.4Å; M410-I413 HydrophobicContact CE-CG2 4.07Å; M410-I413 WeakPolarHBondContact O-CB 3.16Å; M410-I413 PolarHBondContact O-N 2.94Å; M410-I413 VanDerWaalsContact O-N 3.14Å; M410-I413 HydrophobicContact SD-CD1 4.42Å; M410-L414 HydrophobicContact CE-CD2 3.89Å; M410-L414 HydrophobicContact CE-CG 4.03Å; M410-L414 HydrophobicContact CG-CD1 4.47Å; M410-L414 WeakPolarHBondContact O-CG 3.19Å; M410-L414 PolarHBondContact O-N 2.91Å; M410-I433 HydrophobicContact CE-CG2 4.34Å; M410-I433 HydrophobicContact SD-CG2 4.44Å; M410-K436 HydrophobicContact CE-CB 4.46Å; M410-K436 HydrophobicContact SD-CB 3.88Å; M410-K436 HydrophobicContact SD-CD 3.85Å; M410-I437 HydrophobicContact CE-CD1 4.18Å; M410-I437 HydrophobicContact CE-CG1 3.46Å; M410-I437 VanDerWaalsContact CE-CG1 3.46Å
411	M	91.9	Very high	89.1	Confident	90 Å²	90	68.6 Å²	68.6	44%	0.443	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-41.4	176.2	-70.2	-58	-64.4	0	0	112.4	L405 D407 P408 I413 L414 E415	L405-M411 HydrophobicContact CD2-SD 4.14Å; L405-M411 VanDerWaalsContact O-CG 3.29Å; L405-M411 WeakPolarHBondContact O-CG 3.37Å; L405-M411 VanDerWaalsContact O-SD 3.37Å; D407-M411 PolarHBondContact O-N 3.01Å; P408-M411 PolarHBondContact O-N 2.6Å; M411-I413 VanDerWaalsContact C-N 3.34Å; M411-I413 PolarHBondContact O-N 3.41Å; M411-L414 PolarHBondContact O-N 3.33Å; M411-L414 HydrophobicContact SD-CD1 4.24Å; M411-E415 WeakPolarHBondContact O-CB 3.43Å; M411-E415 PolarHBondContact O-N 3.09Å
412	C	90.6	Very high	88.5	Confident	72 Å²	72	73.7 Å²	73.7	49%	0.486	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-43	171.1	-94.1	0	0	0	0	112.2	P408 A409 M410 E415 Q416	P408-C412 PolarHBondContact O-N 3.29Å; A409-C412 PolarHBondContact O-N 3.08Å; M410-C412 PolarHBondContact O-N 3.29Å; C412-E415 PolarHBondContact O-N 3.45Å; C412-Q416 VanDerWaalsContact O-CG 3.31Å; C412-Q416 WeakPolarHBondContact O-CG 3.34Å; C412-Q416 PolarHBondContact O-N 2.86Å
413	I	89.7	Confident	87.7	Confident	16 Å²	16	67.8 Å²	67.8	8%	0.082	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-48.7	177.7	-69.3	159.5	0	0	0	110.5	A409 M410 M411 E415 Q416 M417 H427 I433	A409-I413 WeakPolarHBondContact O-CD1 3.36Å; A409-I413 VanDerWaalsContact O-CG1 3.28Å; A409-I413 WeakPolarHBondContact O-CG1 3.47Å; A409-I413 PolarHBondContact O-N 2.72Å; M410-I413 HydrophobicContact CE-CB 4.4Å; M410-I413 HydrophobicContact CE-CG2 4.07Å; M410-I413 WeakPolarHBondContact O-CB 3.16Å; M410-I413 PolarHBondContact O-N 2.94Å; M410-I413 VanDerWaalsContact O-N 3.14Å; M410-I413 HydrophobicContact SD-CD1 4.42Å; M411-I413 VanDerWaalsContact C-N 3.34Å; M411-I413 PolarHBondContact O-N 3.41Å; I413-E415 VanDerWaalsContact C-N 3.3Å; I413-E415 PolarHBondContact O-N 3.23Å; I413-Q416 WeakPolarHBondContact O-CB 3.5Å; I413-Q416 PolarHBondContact O-N 3.41Å; I413-Q416 VanDerWaalsContact O-N 3.15Å; I413-M417 HydrophobicContact CG2-CG 4.3Å; I413-M417 HydrophobicContact CG2-SD 4.02Å; I413-M417 VanDerWaalsContact O-CG 3.26Å; I413-M417 WeakPolarHBondContact O-CG 3.33Å; I413-M417 PolarHBondContact O-N 2.96Å; I413-H427 HydrophobicContact CG2-CB 4.06Å; I413-I433 HydrophobicContact CD1-CD1 3.56Å; I413-I433 HydrophobicContact CD1-CG1 4Å; I413-I433 HydrophobicContact CD1-CG2 4.01Å; I413-I433 HydrophobicContact CG2-CG2 4.21Å
414	L	88.5	Confident	86.9	Confident	24 Å²	24	64 Å²	64	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-40.2	178.6	-66.8	175.8	0	0	0	111.6	L405 M410 M411 M417 T418 L440 I446	L405-L414 HydrophobicContact CD2-CD1 3.82Å; M410-L414 HydrophobicContact CE-CD2 3.89Å; M410-L414 HydrophobicContact CE-CG 4.03Å; M410-L414 HydrophobicContact CG-CD1 4.47Å; M410-L414 WeakPolarHBondContact O-CG 3.19Å; M410-L414 PolarHBondContact O-N 2.91Å; M411-L414 PolarHBondContact O-N 3.33Å; M411-L414 HydrophobicContact SD-CD1 4.24Å; L414-M417 HydrophobicContact CD2-SD 4.18Å; L414-M417 PolarHBondContact O-N 3.03Å; L414-T418 WeakPolarHBondContact O-CG2 3.09Å; L414-T418 PolarHBondContact O-N 2.91Å; L414-L440 HydrophobicContact CD1-CD1 3.78Å; L414-L440 HydrophobicContact CD2-CD1 4.01Å; L414-L440 HydrophobicContact CG-CD1 4.44Å; L414-I446 HydrophobicContact CD2-CD1 4.38Å; L414-I446 HydrophobicContact CD2-CG2 4.1Å
415	E	88	Confident	86.4	Confident	100 Å²	100	72.3 Å²	72.3	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174.5	-168.4	-178	175.7	0	0	111.6	M411 C412 I413 M417 T418 K419	M411-E415 WeakPolarHBondContact O-CB 3.43Å; M411-E415 PolarHBondContact O-N 3.09Å; C412-E415 PolarHBondContact O-N 3.45Å; I413-E415 VanDerWaalsContact C-N 3.3Å; I413-E415 PolarHBondContact O-N 3.23Å; E415-M417 PolarHBondContact O-N 3.34Å; E415-T418 PolarHBondContact O-N 3.33Å; E415-T418 PolarHBondContact O-OG1 3.18Å; E415-K419 PolarHBondContact O-N 3.16Å; E415-K419 WeakPolarHBondContact OE1-CE 3.47Å; E415-K419 IonicContact OE1-NZ 2.64Å; E415-K419 PolarHBondContact OE1-NZ 3.47Å
416	Q	87.8	Confident	86.1	Confident	92 Å²	92	76 Å²	76	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-42.2	175.1	-74.2	175.9	-3.6	0	0	112.1	C412 I413 T418 K419 D420 H427	C412-Q416 VanDerWaalsContact O-CG 3.31Å; C412-Q416 WeakPolarHBondContact O-CG 3.34Å; C412-Q416 PolarHBondContact O-N 2.86Å; I413-Q416 WeakPolarHBondContact O-CB 3.5Å; I413-Q416 PolarHBondContact O-N 3.41Å; I413-Q416 VanDerWaalsContact O-N 3.15Å; Q416-T418 PolarHBondContact O-N 2.93Å; Q416-K419 PolarHBondContact O-N 3.43Å; Q416-D420 PolarHBondContact O-N 3.48Å; Q416-H427 PolarHBondContact OE1-CE1 3.26Å; Q416-H427 PolarHBondContact OE1-NE2 3.08Å
417	M	85.1	Confident	85.8	Confident	30 Å²	30	74.4 Å²	74.4	15%	0.148	39%	0.394	C	S	.	.	H	α-helix	trans	-59.7	-32.3	176.5	-68.1	175.7	60.8	0	0	112.3	I413 L414 E415 V424 I437 M448	I413-M417 HydrophobicContact CG2-CG 4.3Å; I413-M417 HydrophobicContact CG2-SD 4.02Å; I413-M417 VanDerWaalsContact O-CG 3.26Å; I413-M417 WeakPolarHBondContact O-CG 3.33Å; I413-M417 PolarHBondContact O-N 2.96Å; L414-M417 HydrophobicContact CD2-SD 4.18Å; L414-M417 PolarHBondContact O-N 3.03Å; E415-M417 PolarHBondContact O-N 3.34Å; M417-V424 HydrophobicContact CB-CG2 3.85Å; M417-V424 HydrophobicContact CE-CG1 3.99Å; M417-V424 HydrophobicContact CE-CG2 4Å; M417-V424 HydrophobicContact CG-CB 4.42Å; M417-V424 HydrophobicContact CG-CG2 3.68Å; M417-I437 HydrophobicContact CE-CD1 4.1Å; M417-I437 HydrophobicContact CE-CG2 4.3Å; M417-I437 HydrophobicContact SD-CD1 3.61Å; M417-I437 HydrophobicContact SD-CG1 4.29Å; M417-M448 HydrophobicContact CE-SD 4.23Å
418	T	82.5	Confident	85.5	Confident	118 Å²	118	75.1 Å²	75.1	72%	0.724	40%	0.398	S	S	*	.	H	α-helix	trans	-75.2	-27.4	175.2	60.8	0	0	0	0	113.8	L414 E415 Q416	L414-T418 WeakPolarHBondContact O-CG2 3.09Å; L414-T418 PolarHBondContact O-N 2.91Å; E415-T418 PolarHBondContact O-N 3.33Å; E415-T418 PolarHBondContact O-OG1 3.18Å; Q416-T418 PolarHBondContact O-N 2.93Å
419	K	85.1	Confident	85.3	Confident	151 Å²	151	77.1 Å²	77.1	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-91.2	-35.5	-177.5	-68.6	178.5	-174	170.7	0	113.1	E415 Q416	E415-K419 PolarHBondContact O-N 3.16Å; E415-K419 WeakPolarHBondContact OE1-CE 3.47Å; E415-K419 IonicContact OE1-NZ 2.64Å; E415-K419 PolarHBondContact OE1-NZ 3.47Å; Q416-K419 PolarHBondContact O-N 3.43Å
420	D	84	Confident	85.2	Confident	72 Å²	72	77.7 Å²	77.7	39%	0.385	39%	0.391	S	S	.	.			trans	-136.4	102.2	-178.3	180	10.9	0	0	0	110.7	Q416 N422 A423	Q416-D420 PolarHBondContact O-N 3.48Å; D420-N422 PolarHBondContact O-N 2.86Å; D420-N422 VanDerWaalsContact O-N 3.1Å; D420-N422 WeakPolarHBondContact OD1-CB 3.17Å; D420-N422 PolarHBondContact OD1-N 3.49Å; D420-A423 HydrophobicContact CB-CB 4Å; D420-A423 WeakPolarHBondContact O-CB 3.5Å; D420-A423 PolarHBondContact O-N 3.26Å
421	P	71.8	Confident	85.2	Confident	97 Å²	97	82.7 Å²	82.7	63%	0.63	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.5	175.9	-25.4	34.8	0	0	0	114.1	V424	P421-V424 WeakPolarHBondContact O-CB 3.29Å; P421-V424 WeakPolarHBondContact O-CG2 3.22Å
422	N	79.4	Confident	85.2	Confident	108 Å²	108	83.1 Å²	83.1	58%	0.578	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-28.9	177.4	-63.7	-54.6	0	0	0	112.3	D420 V424 R425	D420-N422 PolarHBondContact O-N 2.86Å; D420-N422 VanDerWaalsContact O-N 3.1Å; D420-N422 WeakPolarHBondContact OD1-CB 3.17Å; D420-N422 PolarHBondContact OD1-N 3.49Å; N422-V424 PolarHBondContact O-N 3.01Å; N422-R425 PolarHBondContact O-N 3.45Å; N422-R425 VanDerWaalsContact O-N 3.11Å
423	A	75.4	Confident	85.3	Confident	17 Å²	17	80.9 Å²	80.9	14%	0.14	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-28.3	176.5	0	0	0	0	0	112.2	D420 R425 E426 H427	D420-A423 HydrophobicContact CB-CB 4Å; D420-A423 WeakPolarHBondContact O-CB 3.5Å; D420-A423 PolarHBondContact O-N 3.26Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.19Å; A423-E426 PolarHBondContact O-N 2.87Å; A423-H427 PolarHBondContact O-CD2 2.95Å; A423-H427 PolarHBondContact O-N 3.07Å
424	V	76	Confident	85.4	Confident	25 Å²	25	81.4 Å²	81.4	15%	0.152	42%	0.421	C	S	.	.	H	α-helix	trans	-52.8	-44.6	174.2	-179.8	0	0	0	0	111.2	M417 P421 N422 E426 H427 L428 M448	M417-V424 HydrophobicContact CB-CG2 3.85Å; M417-V424 HydrophobicContact CE-CG1 3.99Å; M417-V424 HydrophobicContact CE-CG2 4Å; M417-V424 HydrophobicContact CG-CB 4.42Å; M417-V424 HydrophobicContact CG-CG2 3.68Å; P421-V424 WeakPolarHBondContact O-CB 3.29Å; P421-V424 WeakPolarHBondContact O-CG2 3.22Å; N422-V424 PolarHBondContact O-N 3.01Å; V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 PolarHBondContact O-N 2.93Å; V424-H427 PolarHBondContact O-N 2.61Å; V424-L428 HydrophobicContact CG1-CD1 3.64Å; V424-L428 HydrophobicContact CG1-CG 4.05Å; V424-L428 WeakPolarHBondContact O-CB 3.41Å; V424-L428 VanDerWaalsContact O-CG 3.25Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 3.19Å; V424-M448 HydrophobicContact CG1-CE 4.49Å
425	R	82	Confident	85.6	Confident	185 Å²	185	82 Å²	82	70%	0.698	43%	0.432	S	S	*	.	H	α-helix	trans	-65.3	-34.8	-175.8	-71.4	-177.1	175.5	173.3	-0.2	112.7	N422 A423	N422-R425 PolarHBondContact O-N 3.45Å; N422-R425 VanDerWaalsContact O-N 3.11Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.19Å
426	E	85.1	Confident	85.8	Confident	117 Å²	117	79.8 Å²	79.8	55%	0.547	42%	0.421	S	S	.	.	H	α-helix	trans	-71.7	-43.8	177.7	-69.3	-56.1	133.2	0	0	111.3	A423 V424 L428 K429	A423-E426 PolarHBondContact O-N 2.87Å; V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 PolarHBondContact O-N 2.93Å; E426-L428 PolarHBondContact O-N 3.24Å; E426-K429 WeakPolarHBondContact O-CB 3.46Å; E426-K429 PolarHBondContact O-N 2.81Å; E426-K429 IonicContact OE1-NZ 2.66Å; E426-K429 PolarHBondContact OE1-NZ 3.31Å; E426-K429 IonicContact OE2-NZ 2.73Å; E426-K429 PolarHBondContact OE2-NZ 3.2Å
427	H	86.3	Confident	85.9	Confident	40 Å²	40	75.5 Å²	75.5	19%	0.185	40%	0.401	C	S	.	.	H	α-helix	trans	-65.6	-37.1	178.2	-71.1	-52.8	0	0	0	113	I413 Q416 A423 V424 K429 N430 I433	I413-H427 HydrophobicContact CG2-CB 4.06Å; Q416-H427 PolarHBondContact OE1-CE1 3.26Å; Q416-H427 PolarHBondContact OE1-NE2 3.08Å; A423-H427 PolarHBondContact O-CD2 2.95Å; A423-H427 PolarHBondContact O-N 3.07Å; V424-H427 PolarHBondContact O-N 2.61Å; H427-K429 PolarHBondContact O-N 2.84Å; H427-N430 PolarHBondContact O-N 2.8Å; H427-N430 VanDerWaalsContact O-N 3.12Å; H427-I433 HydrophobicContact CB-CG2 4.15Å
428	L	86.3	Confident	86.1	Confident	63 Å²	63	76.2 Å²	76.2	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.4	177	-73	177.6	0	0	0	113.9	V424 E426 N430 A434 I437 M448	V424-L428 HydrophobicContact CG1-CD1 3.64Å; V424-L428 HydrophobicContact CG1-CG 4.05Å; V424-L428 WeakPolarHBondContact O-CB 3.41Å; V424-L428 VanDerWaalsContact O-CG 3.25Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 3.19Å; E426-L428 PolarHBondContact O-N 3.24Å; L428-N430 PolarHBondContact O-N 2.99Å; L428-A434 HydrophobicContact CD2-CB 3.99Å; L428-I437 HydrophobicContact CD2-CB 4.49Å; L428-I437 HydrophobicContact CD2-CD1 3.87Å; L428-I437 HydrophobicContact CD2-CG2 4.36Å; L428-M448 HydrophobicContact CD1-CE 4.16Å
429	K	89.5	Confident	86.4	Confident	141 Å²	141	74.3 Å²	74.3	61%	0.613	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.7	172.3	-66.5	175.6	-171.6	167.6	0	112.5	E426 H427 P431	E426-K429 WeakPolarHBondContact O-CB 3.46Å; E426-K429 PolarHBondContact O-N 2.81Å; E426-K429 IonicContact OE1-NZ 2.66Å; E426-K429 PolarHBondContact OE1-NZ 3.31Å; E426-K429 IonicContact OE2-NZ 2.73Å; E426-K429 PolarHBondContact OE2-NZ 3.2Å; H427-K429 PolarHBondContact O-N 2.84Å; K429-P431 WeakPolarHBondContact O-CD 3.44Å
430	N	91.6	Very high	86.6	Confident	71 Å²	71	67.1 Å²	67.1	38%	0.38	36%	0.362	S	S	.	.	S	Bend	trans	-84.6	114.3	174.3	-176.9	-32.1	0	0	0	109.3	H427 L428 V432 I433 A434	H427-N430 PolarHBondContact O-N 2.8Å; H427-N430 VanDerWaalsContact O-N 3.12Å; L428-N430 PolarHBondContact O-N 2.99Å; N430-V432 PolarHBondContact O-N 2.93Å; N430-V432 VanDerWaalsContact O-N 3.15Å; N430-V432 WeakPolarHBondContact OD1-CB 3.23Å; N430-V432 PolarHBondContact OD1-N 3Å; N430-I433 HydrophobicContact CB-CB 4.11Å; N430-I433 HydrophobicContact CB-CD1 3.84Å; N430-I433 HydrophobicContact CB-CG1 4.06Å; N430-I433 PolarHBondContact O-N 3.42Å; N430-I433 VanDerWaalsContact O-N 3.1Å; N430-I433 PolarHBondContact OD1-N 3.44Å; N430-A434 PolarHBondContact O-N 3.03Å
431	P	92.5	Very high	86.6	Confident	107 Å²	107	65.4 Å²	65.4	70%	0.695	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-31.1	-176.5	-24.2	34.5	0	0	0	113.7	K429 G435	K429-P431 WeakPolarHBondContact O-CD 3.44Å; P431-G435 PolarHBondContact O-N 2.89Å
432	V	92.5	Very high	87.1	Confident	99 Å²	99	68.5 Å²	68.5	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-69.3	-44.9	178.5	-178	0	0	0	0	110.3	N430 G435 K436	N430-V432 PolarHBondContact O-N 2.93Å; N430-V432 VanDerWaalsContact O-N 3.15Å; N430-V432 WeakPolarHBondContact OD1-CB 3.23Å; N430-V432 PolarHBondContact OD1-N 3Å; V432-G435 PolarHBondContact O-N 3.12Å; V432-K436 WeakPolarHBondContact O-CG 3.33Å; V432-K436 PolarHBondContact O-N 3.16Å; V432-K436 VanDerWaalsContact O-N 3.11Å
433	I	92.2	Very high	87.2	Confident	26 Å²	26	64.6 Å²	64.6	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-68.1	-43.8	178	-63.6	170.6	0	0	0	110	M410 I413 H427 N430 G435 K436 I437	M410-I433 HydrophobicContact CE-CG2 4.34Å; M410-I433 HydrophobicContact SD-CG2 4.44Å; I413-I433 HydrophobicContact CD1-CD1 3.56Å; I413-I433 HydrophobicContact CD1-CG1 4Å; I413-I433 HydrophobicContact CD1-CG2 4.01Å; I413-I433 HydrophobicContact CG2-CG2 4.21Å; H427-I433 HydrophobicContact CB-CG2 4.15Å; N430-I433 HydrophobicContact CB-CB 4.11Å; N430-I433 HydrophobicContact CB-CD1 3.84Å; N430-I433 HydrophobicContact CB-CG1 4.06Å; N430-I433 PolarHBondContact O-N 3.42Å; N430-I433 VanDerWaalsContact O-N 3.1Å; N430-I433 PolarHBondContact OD1-N 3.44Å; I433-G435 VanDerWaalsContact C-N 3.32Å; I433-G435 PolarHBondContact O-N 3.36Å; I433-K436 PolarHBondContact O-N 2.91Å; I433-K436 VanDerWaalsContact O-N 3.13Å; I433-I437 HydrophobicContact CG2-CD1 3.79Å; I433-I437 HydrophobicContact CG2-CG1 4.27Å; I433-I437 WeakPolarHBondContact O-CG1 3.27Å; I433-I437 PolarHBondContact O-N 2.89Å
434	A	91.3	Very high	87.2	Confident	26 Å²	26	64.9 Å²	64.9	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-57.8	-43.6	176.4	0	0	0	0	0	112	L428 N430 K436 I437 A438	L428-A434 HydrophobicContact CD2-CB 3.99Å; N430-A434 PolarHBondContact O-N 3.03Å; A434-K436 PolarHBondContact O-N 2.97Å; A434-I437 PolarHBondContact O-N 3.2Å; A434-A438 WeakPolarHBondContact O-CB 3.26Å; A434-A438 PolarHBondContact O-N 3.46Å
435	G	92.2	Very high	87.5	Confident	36 Å²	36	65.5 Å²	65.5	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-40.5	174.6	0	0	0	0	0	113.2	P431 V432 I433 A438 K439	P431-G435 PolarHBondContact O-N 2.89Å; V432-G435 PolarHBondContact O-N 3.12Å; I433-G435 VanDerWaalsContact C-N 3.32Å; I433-G435 PolarHBondContact O-N 3.36Å; G435-A438 PolarHBondContact O-N 3.29Å; G435-K439 WeakPolarHBondContact O-CG 3.44Å; G435-K439 PolarHBondContact O-N 2.98Å
436	K	93	Very high	87.5	Confident	54 Å²	54	58.3 Å²	58.3	24%	0.235	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-44.2	174.9	-70.8	-178.1	176.3	179.4	0	112.1	I404 D407 M410 V432 I433 A434 K439 L440	I404-K436 HydrophobicContact CD1-CB 4.21Å; I404-K436 HydrophobicContact CD1-CG 4.19Å; I404-K436 HydrophobicContact CG1-CB 4.3Å; I404-K436 HydrophobicContact CG1-CD 4.34Å; I404-K436 HydrophobicContact CG1-CG 3.98Å; I404-K436 HydrophobicContact CG2-CB 3.97Å; I404-K436 HydrophobicContact CG2-CD 4.36Å; I404-K436 HydrophobicContact CG2-CG 4.34Å; D407-K436 IonicContact OD2-NZ 2.69Å; D407-K436 PolarHBondContact OD2-NZ 2.99Å; M410-K436 HydrophobicContact CE-CB 4.46Å; M410-K436 HydrophobicContact SD-CB 3.88Å; M410-K436 HydrophobicContact SD-CD 3.85Å; V432-K436 WeakPolarHBondContact O-CG 3.33Å; V432-K436 PolarHBondContact O-N 3.16Å; V432-K436 VanDerWaalsContact O-N 3.11Å; I433-K436 PolarHBondContact O-N 2.91Å; I433-K436 VanDerWaalsContact O-N 3.13Å; A434-K436 PolarHBondContact O-N 2.97Å; K436-K439 PolarHBondContact O-N 3.34Å; K436-L440 WeakPolarHBondContact O-CG 3.09Å; K436-L440 PolarHBondContact O-N 3.33Å
437	I	90.4	Very high	86.8	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.015	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-44.7	176.5	-68.8	174	0	0	0	110.4	M410 M417 L428 I433 A434 K439 L440 A441 I446 M448	M410-I437 HydrophobicContact CE-CD1 4.18Å; M410-I437 HydrophobicContact CE-CG1 3.46Å; M410-I437 VanDerWaalsContact CE-CG1 3.46Å; M417-I437 HydrophobicContact CE-CD1 4.1Å; M417-I437 HydrophobicContact CE-CG2 4.3Å; M417-I437 HydrophobicContact SD-CD1 3.61Å; M417-I437 HydrophobicContact SD-CG1 4.29Å; L428-I437 HydrophobicContact CD2-CB 4.49Å; L428-I437 HydrophobicContact CD2-CD1 3.87Å; L428-I437 HydrophobicContact CD2-CG2 4.36Å; I433-I437 HydrophobicContact CG2-CD1 3.79Å; I433-I437 HydrophobicContact CG2-CG1 4.27Å; I433-I437 WeakPolarHBondContact O-CG1 3.27Å; I433-I437 PolarHBondContact O-N 2.89Å; A434-I437 PolarHBondContact O-N 3.2Å; I437-K439 PolarHBondContact O-N 3.41Å; I437-L440 PolarHBondContact O-N 3.1Å; I437-A441 WeakPolarHBondContact O-CB 3.24Å; I437-A441 PolarHBondContact O-N 3.34Å; I437-I446 HydrophobicContact CB-CD1 4.36Å; I437-I446 HydrophobicContact CG2-CD1 3.61Å; I437-M448 HydrophobicContact CG2-CE 4.1Å; I437-M448 HydrophobicContact CG2-SD 3.61Å
438	A	88.8	Confident	85.8	Confident	44 Å²	44	64.4 Å²	64.4	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-58	-47.6	176.3	0	0	0	0	0	111.6	A434 G435 L440 A441 E442	A434-A438 WeakPolarHBondContact O-CB 3.26Å; A434-A438 PolarHBondContact O-N 3.46Å; G435-A438 PolarHBondContact O-N 3.29Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-L440 PolarHBondContact O-N 3.03Å; A438-A441 PolarHBondContact O-N 3.21Å; A438-A441 VanDerWaalsContact O-N 3.1Å; A438-E442 WeakPolarHBondContact O-CB 3.35Å; A438-E442 WeakPolarHBondContact O-CG 3.35Å; A438-E442 PolarHBondContact O-N 3.25Å
439	K	88.9	Confident	84.5	Confident	79 Å²	79	76.2 Å²	76.2	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-59	-40.4	175.7	-73.6	-175.7	178.1	-161.6	0	113	E400 I404 G435 K436 I437 A443	E400-K439 VanDerWaalsContact CD-NZ 3.26Å; E400-K439 IonicContact OE1-NZ 3.34Å; E400-K439 PolarHBondContact OE1-NZ 2.94Å; E400-K439 IonicContact OE2-NZ 2.69Å; E400-K439 PolarHBondContact OE2-NZ 3.37Å; I404-K439 HydrophobicContact CD1-CB 3.91Å; I404-K439 HydrophobicContact CD1-CD 3.94Å; G435-K439 WeakPolarHBondContact O-CG 3.44Å; G435-K439 PolarHBondContact O-N 2.98Å; K436-K439 PolarHBondContact O-N 3.34Å; I437-K439 PolarHBondContact O-N 3.41Å; K439-A443 VanDerWaalsContact O-CB 3.24Å; K439-A443 WeakPolarHBondContact O-CB 3.41Å; K439-A443 PolarHBondContact O-N 3.49Å
440	L	89	Confident	84.2	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-68.2	-35.7	175.9	-67.7	178.7	0	0	0	112.4	V401 I404 L405 L414 K436 I437 A438 G444 I445 I446	V401-L440 HydrophobicContact CG1-CD2 4.02Å; I404-L440 HydrophobicContact CB-CD2 4.33Å; I404-L440 HydrophobicContact CG2-CD1 3.71Å; I404-L440 HydrophobicContact CG2-CD2 3.89Å; I404-L440 HydrophobicContact CG2-CG 3.8Å; L405-L440 HydrophobicContact CD2-CD1 4.17Å; L405-L440 HydrophobicContact CD2-CD2 3.99Å; L405-L440 HydrophobicContact CG-CD2 4.04Å; L414-L440 HydrophobicContact CD1-CD1 3.78Å; L414-L440 HydrophobicContact CD2-CD1 4.01Å; L414-L440 HydrophobicContact CG-CD1 4.44Å; K436-L440 WeakPolarHBondContact O-CG 3.09Å; K436-L440 PolarHBondContact O-N 3.33Å; I437-L440 PolarHBondContact O-N 3.1Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-L440 PolarHBondContact O-N 3.03Å; L440-G444 PolarHBondContact O-N 3.48Å; L440-I445 HydrophobicContact CB-CB 4.26Å; L440-I445 HydrophobicContact CD2-CB 4.23Å; L440-I445 HydrophobicContact CD2-CG1 4.33Å; L440-I445 HydrophobicContact CD2-CG2 4.2Å; L440-I445 WeakPolarHBondContact O-CB 2.98Å; L440-I445 PolarHBondContact O-N 3.16Å; L440-I446 HydrophobicContact CB-CD1 3.87Å; L440-I446 HydrophobicContact CB-CG1 3.84Å; L440-I446 PolarHBondContact O-N 2.99Å
441	A	85.2	Confident	83.9	Confident	35 Å²	35	73.1 Å²	73.1	29%	0.289	38%	0.379	S	S	.	.	H	α-helix	trans	-70	-43.9	176.7	0	0	0	0	0	111.5	I437 A438 A443 G444 I446 M448	I437-A441 WeakPolarHBondContact O-CB 3.24Å; I437-A441 PolarHBondContact O-N 3.34Å; A438-A441 PolarHBondContact O-N 3.21Å; A438-A441 VanDerWaalsContact O-N 3.1Å; A441-A443 VanDerWaalsContact C-N 3.27Å; A441-A443 PolarHBondContact O-N 3.33Å; A441-G444 PolarHBondContact O-N 3.43Å; A441-I446 HydrophobicContact CB-CD1 4.46Å; A441-I446 HydrophobicContact CB-CG1 4.01Å; A441-M448 HydrophobicContact CB-CG 4.29Å
442	E	82.2	Confident	83.4	Confident	163 Å²	163	71.2 Å²	71.2	76%	0.762	36%	0.362	S	S	*	.	H	α-helix	trans	-60	-37.7	172.8	-73.7	171.5	-170.5	0	0	111.9	A438 G444	A438-E442 WeakPolarHBondContact O-CB 3.35Å; A438-E442 WeakPolarHBondContact O-CG 3.35Å; A438-E442 PolarHBondContact O-N 3.25Å; E442-G444 PolarHBondContact O-N 3.37Å
443	A	80.8	Confident	82.8	Confident	25 Å²	25	69.6 Å²	69.6	21%	0.207	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.9	174.9	0	0	0	0	0	113.7	A395 V401 K439 A441 I445	A395-A443 HydrophobicContact CB-CB 3.8Å; A395-A443 VanDerWaalsContact CB-O 3.26Å; A395-A443 WeakPolarHBondContact CB-O 3.43Å; V401-A443 HydrophobicContact CG2-CB 3.7Å; K439-A443 VanDerWaalsContact O-CB 3.24Å; K439-A443 WeakPolarHBondContact O-CB 3.41Å; K439-A443 PolarHBondContact O-N 3.49Å; A441-A443 VanDerWaalsContact C-N 3.27Å; A441-A443 PolarHBondContact O-N 3.33Å; A443-I445 HydrophobicContact CB-CG1 4.15Å; A443-I445 PolarHBondContact O-N 2.7Å
444	G	75.9	Confident	82.3	Confident	23 Å²	23	72.3 Å²	72.3	24%	0.237	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	11.2	179.6	0	0	0	0	0	115.1	L440 A441 E442	L440-G444 PolarHBondContact O-N 3.48Å; A441-G444 PolarHBondContact O-N 3.43Å; E442-G444 PolarHBondContact O-N 3.37Å
445	I	82.5	Confident	81.7	Confident	39 Å²	39	75.4 Å²	75.4	20%	0.2	37%	0.371	C	S	.	.	S	Bend	trans	-73.3	-35.3	180	-62	-58.5	0	0	0	111.6	R392 A395 M396 V401 L405 L440 A443	R392-I445 HydrophobicContact CB-CD1 4.2Å; R392-I445 HydrophobicContact CG-CD1 3.85Å; A395-I445 HydrophobicContact CB-CD1 3.51Å; A395-I445 HydrophobicContact CB-CG1 3.87Å; M396-I445 HydrophobicContact CE-CD1 3.34Å; M396-I445 HydrophobicContact CE-CG1 4.03Å; V401-I445 HydrophobicContact CG1-CG1 3.99Å; L405-I445 HydrophobicContact CD1-CG2 4.3Å; L405-I445 HydrophobicContact CD2-CG2 4.31Å; L440-I445 HydrophobicContact CB-CB 4.26Å; L440-I445 HydrophobicContact CD2-CB 4.23Å; L440-I445 HydrophobicContact CD2-CG1 4.33Å; L440-I445 HydrophobicContact CD2-CG2 4.2Å; L440-I445 WeakPolarHBondContact O-CB 2.98Å; L440-I445 PolarHBondContact O-N 3.16Å; A443-I445 HydrophobicContact CB-CG1 4.15Å; A443-I445 PolarHBondContact O-N 2.7Å
446	I	80.6	Confident	80.9	Confident	34 Å²	34	78.2 Å²	78.2	17%	0.174	37%	0.371	C	S	.	.			trans	-127.1	149.9	176.7	62.6	175.8	0	0	0	110.4	L414 I437 L440 A441 M448	L414-I446 HydrophobicContact CD2-CD1 4.38Å; L414-I446 HydrophobicContact CD2-CG2 4.1Å; I437-I446 HydrophobicContact CB-CD1 4.36Å; I437-I446 HydrophobicContact CG2-CD1 3.61Å; L440-I446 HydrophobicContact CB-CD1 3.87Å; L440-I446 HydrophobicContact CB-CG1 3.84Å; L440-I446 PolarHBondContact O-N 2.99Å; A441-I446 HydrophobicContact CB-CD1 4.46Å; A441-I446 HydrophobicContact CB-CG1 4.01Å; I446-M448 HydrophobicContact CD1-SD 4.41Å
447	R	71.5	Confident	80	Confident	185 Å²	185	80.1 Å²	80.1	70%	0.698	38%	0.381	S	S	*	.			trans	-108.9	118.7	169.8	-66.9	-175.7	-179.7	-174	-1.3	108.3	R449	R447-R449 PolarHBondContact O-N 2.75Å
448	M	64.6	Low	79.1	Confident	99 Å²	99	86.5 Å²	86.5	49%	0.488	41%	0.412	S	S	.	.			trans	-71.2	118.2	169.9	-61.3	-67.6	-77.7	0	0	107.2	M417 V424 L428 I437 A441 I446	M417-M448 HydrophobicContact CE-SD 4.23Å; V424-M448 HydrophobicContact CG1-CE 4.49Å; L428-M448 HydrophobicContact CD1-CE 4.16Å; I437-M448 HydrophobicContact CG2-CE 4.1Å; I437-M448 HydrophobicContact CG2-SD 3.61Å; A441-M448 HydrophobicContact CB-CG 4.29Å; I446-M448 HydrophobicContact CD1-SD 4.41Å
449	R	59.2	Low	78.2	Confident	312 Å²	312	90.4 Å²	90.4	100%	1.177	42%	0.416	S	S	*	.			trans	-98.6	0	173.9	-75.6	-172	-179.1	-179.5	1.2	111	R447	R447-R449 PolarHBondContact O-N 2.75Å

Retrieved 449 of 449 residues in 461.3 ms (Link to these results)

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